USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=74 USER MOD reduce.3.24.130724 removed 1502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 32 LYS NZ :NH3+ -119:sc= 2.47 (180deg=-0.539) USER MOD Set 1.2: B 63 SER OG : rot -107:sc= 2.27 USER MOD Set 2.1: B 47 MET CE :methyl 153:sc= -3.89 (180deg=-4.39!) USER MOD Set 2.2: B 48 LYS NZ :NH3+ 162:sc= 0.97 (180deg=0.338) USER MOD Set 3.1: B 17 HIS : no HE2:sc= 1.08 K(o=2.9,f=-10!) USER MOD Set 3.2: B 26 LYS NZ :NH3+ -106:sc= 1.81 (180deg=-1.24!) USER MOD Set 4.1: B 7 LYS NZ :NH3+ -163:sc= 2.01 (180deg=1.76) USER MOD Set 4.2: B 10 THR OG1 : rot 74:sc= 0.693 USER MOD Set 5.1: A 80 CYS SG : rot 180:sc= -0.0143 USER MOD Set 5.2: A 84 ASN : amide:sc= -0.24 K(o=-0.25,f=-1.1) USER MOD Set 6.1: A 77 THR OG1 : rot 84:sc= 1.57 USER MOD Set 6.2: B 73 SER OG : rot -180:sc= 0.425 USER MOD Set 7.1: A 12 MET CE :methyl -179:sc= 0 (180deg=-0.000175) USER MOD Set 7.2: A 73 SER OG : rot 173:sc= 0.373 USER MOD Set 7.3: B 77 THR OG1 : rot 73:sc= 1.66 USER MOD Set 8.1: A 58 SER OG : rot -55:sc= 0.655 USER MOD Set 8.2: A 61 LYS NZ :NH3+ -179:sc= 0.708 (180deg=-0.0134) USER MOD Set 9.1: A 32 LYS NZ :NH3+ 149:sc= 1.53 (180deg=1.12) USER MOD Set 9.2: A 63 SER OG : rot 48:sc= 1.42 USER MOD Set10.1: A 17 HIS : no HE2:sc= -1.32 K(o=-0.13,f=-7.4!) USER MOD Set10.2: A 26 LYS NZ :NH3+ 154:sc= 1.19 (180deg=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 1.32 (180deg=-5.08!) USER MOD Single : A 3 THR OG1 : rot 137:sc= 1.24 USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 1.6 (180deg=0.696) USER MOD Single : A 10 THR OG1 : rot 60:sc= 1.2 USER MOD Single : A 11 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 14 THR OG1 : rot -84:sc= 1.17 USER MOD Single : A 15 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00288 (180deg=-0.0882) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -90:sc= 1.14 USER MOD Single : A 25 SER OG : rot 146:sc= 1.41 USER MOD Single : A 28 THR OG1 : rot 105:sc= 0.778 USER MOD Single : A 30 SER OG : rot -69:sc= 0.486 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0.327 (180deg=0.00829) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 2.01 (180deg=1.93) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 0.0815 (180deg=-1.14!) USER MOD Single : A 43 CYS SG : rot -120:sc= -0.0703 USER MOD Single : A 47 MET CE :methyl 170:sc= -1.74 (180deg=-2.18) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 0.641 (180deg=-0.0755) USER MOD Single : A 50 SER OG : rot -121:sc= 0.373 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.16) USER MOD Single : A 62 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.021) USER MOD Single : A 65 GLN : amide:sc=-0.00189 X(o=-0.0019,f=-0.41) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 2 (180deg=1.84) USER MOD Single : A 72 TYR OH : rot 178:sc= 0.0809 USER MOD Single : A 78 MET CE :methyl 171:sc= -0.0491 (180deg=-0.175) USER MOD Single : A 81 MET CE :methyl -120:sc= -0.0343 (180deg=-0.553) USER MOD Single : A 83 TYR OH : rot 130:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.03) USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 0.709! (180deg=0.487!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 146:sc= 1.37 (180deg=0.823) USER MOD Single : B 3 THR OG1 : rot 142:sc= 1.15 USER MOD Single : B 11 THR OG1 : rot 180:sc=0.000513 USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 82:sc= 1.26 USER MOD Single : B 15 THR OG1 : rot 87:sc= 1.24 USER MOD Single : B 18 LYS NZ :NH3+ -108:sc= 0.0309 (180deg=-0.85!) USER MOD Single : B 19 TYR OH : rot 0:sc= 0 USER MOD Single : B 20 SER OG : rot -58:sc= 0.451 USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -57:sc= 0.852 USER MOD Single : B 35 LYS NZ :NH3+ -135:sc= 1.26 (180deg=1.01) USER MOD Single : B 39 LYS NZ :NH3+ -135:sc= 0.925 (180deg=0.585) USER MOD Single : B 40 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.15) USER MOD Single : B 43 CYS SG : rot 180:sc= 0.492 USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0.00959 USER MOD Single : B 56 MET CE :methyl -169:sc= -0.529 (180deg=-0.653) USER MOD Single : B 57 LYS NZ :NH3+ 172:sc= -0.106 (180deg=-0.412) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 61 LYS NZ :NH3+ -157:sc= 1.03 (180deg=-0.483) USER MOD Single : B 62 ASN : amide:sc= -0.01 K(o=-0.01,f=-3!) USER MOD Single : B 65 GLN : amide:sc= 0.683 K(o=0.68,f=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 TYR OH : rot 151:sc= 0.929 USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 80 CYS SG : rot 180:sc= -0.392 USER MOD Single : B 81 MET CE :methyl 137:sc= -0.256 (180deg=-1.44!) USER MOD Single : B 83 TYR OH : rot 151:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0.242 K(o=0.24,f=-3.4!) USER MOD Single : B 91 ASN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : B 92 LYS NZ :NH3+ -174:sc= 2.3 (180deg=2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.522 3.035 17.847 1.00 4.73 N ATOM 2 CA MET A 1 10.751 2.060 18.654 1.00 4.04 C ATOM 3 C MET A 1 9.717 2.764 19.529 1.00 2.89 C ATOM 4 O MET A 1 8.519 2.683 19.276 1.00 3.84 O ATOM 5 CB MET A 1 11.688 1.241 19.528 1.00 4.63 C ATOM 6 CG MET A 1 12.519 0.236 18.727 1.00 6.21 C ATOM 7 SD MET A 1 13.553 -0.832 19.762 1.00 7.37 S ATOM 8 CE MET A 1 13.603 -2.323 18.731 1.00 9.46 C ATOM 0 H1 MET A 1 11.513 2.743 16.849 1.00 4.73 H new ATOM 0 H2 MET A 1 11.091 3.977 17.936 1.00 4.73 H new ATOM 0 H3 MET A 1 12.504 3.069 18.189 1.00 4.73 H new ATOM 0 HA MET A 1 10.227 1.397 17.965 1.00 4.04 H new ATOM 0 HB2 MET A 1 12.357 1.913 20.065 1.00 4.63 H new ATOM 0 HB3 MET A 1 11.104 0.707 20.278 1.00 4.63 H new ATOM 0 HG2 MET A 1 11.849 -0.385 18.132 1.00 6.21 H new ATOM 0 HG3 MET A 1 13.156 0.778 18.028 1.00 6.21 H new ATOM 0 HE1 MET A 1 14.204 -3.087 19.225 1.00 9.46 H new ATOM 0 HE2 MET A 1 12.590 -2.697 18.583 1.00 9.46 H new ATOM 0 HE3 MET A 1 14.045 -2.082 17.764 1.00 9.46 H new ATOM 17 N GLU A 2 10.196 3.464 20.549 1.00 1.73 N ATOM 18 CA GLU A 2 9.539 4.453 21.398 1.00 1.42 C ATOM 19 C GLU A 2 8.447 5.315 20.729 1.00 1.09 C ATOM 20 O GLU A 2 7.352 5.425 21.285 1.00 1.61 O ATOM 21 CB GLU A 2 10.662 5.327 22.006 1.00 2.96 C ATOM 22 CG GLU A 2 11.506 6.181 21.029 1.00 4.67 C ATOM 23 CD GLU A 2 11.970 5.427 19.777 1.00 5.38 C ATOM 24 OE1 GLU A 2 12.717 4.436 19.917 1.00 5.93 O ATOM 25 OE2 GLU A 2 11.391 5.618 18.687 1.00 5.80 O ATOM 0 H GLU A 2 11.167 3.338 20.835 1.00 1.73 H new ATOM 0 HA GLU A 2 8.970 3.912 22.154 1.00 1.42 H new ATOM 0 HB2 GLU A 2 10.209 5.998 22.736 1.00 2.96 H new ATOM 0 HB3 GLU A 2 11.340 4.672 22.553 1.00 2.96 H new ATOM 0 HG2 GLU A 2 10.920 7.047 20.722 1.00 4.67 H new ATOM 0 HG3 GLU A 2 12.381 6.559 21.557 1.00 4.67 H new ATOM 32 N THR A 3 8.692 5.901 19.548 1.00 1.01 N ATOM 33 CA THR A 3 7.861 7.033 19.076 1.00 0.93 C ATOM 34 C THR A 3 6.546 6.598 18.420 1.00 0.84 C ATOM 35 O THR A 3 6.453 5.464 17.936 1.00 0.91 O ATOM 36 CB THR A 3 8.596 8.008 18.148 1.00 1.06 C ATOM 37 OG1 THR A 3 8.844 7.443 16.892 1.00 1.30 O ATOM 38 CG2 THR A 3 9.863 8.624 18.732 1.00 1.41 C ATOM 0 H THR A 3 9.439 5.623 18.911 1.00 1.01 H new ATOM 0 HA THR A 3 7.626 7.565 19.998 1.00 0.93 H new ATOM 0 HB THR A 3 7.903 8.841 18.029 1.00 1.06 H new ATOM 0 HG1 THR A 3 8.649 8.102 16.193 1.00 1.30 H new ATOM 0 HG21 THR A 3 10.310 9.298 18.001 1.00 1.41 H new ATOM 0 HG22 THR A 3 9.614 9.181 19.635 1.00 1.41 H new ATOM 0 HG23 THR A 3 10.572 7.833 18.978 1.00 1.41 H new ATOM 46 N PRO A 4 5.512 7.465 18.383 1.00 0.88 N ATOM 47 CA PRO A 4 4.241 7.130 17.749 1.00 0.97 C ATOM 48 C PRO A 4 4.371 6.995 16.230 1.00 0.91 C ATOM 49 O PRO A 4 3.761 6.089 15.674 1.00 0.94 O ATOM 50 CB PRO A 4 3.256 8.228 18.159 1.00 1.19 C ATOM 51 CG PRO A 4 4.150 9.418 18.496 1.00 1.18 C ATOM 52 CD PRO A 4 5.413 8.758 19.049 1.00 0.99 C ATOM 0 HA PRO A 4 3.886 6.154 18.079 1.00 0.97 H new ATOM 0 HB2 PRO A 4 2.563 8.465 17.351 1.00 1.19 H new ATOM 0 HB3 PRO A 4 2.655 7.925 19.016 1.00 1.19 H new ATOM 0 HG2 PRO A 4 4.364 10.023 17.615 1.00 1.18 H new ATOM 0 HG3 PRO A 4 3.685 10.076 19.230 1.00 1.18 H new ATOM 0 HD2 PRO A 4 6.293 9.369 18.848 1.00 0.99 H new ATOM 0 HD3 PRO A 4 5.349 8.637 20.130 1.00 0.99 H new ATOM 60 N LEU A 5 5.186 7.814 15.553 1.00 0.87 N ATOM 61 CA LEU A 5 5.383 7.691 14.103 1.00 0.88 C ATOM 62 C LEU A 5 6.084 6.381 13.707 1.00 0.84 C ATOM 63 O LEU A 5 5.673 5.759 12.731 1.00 0.92 O ATOM 64 CB LEU A 5 6.140 8.929 13.610 1.00 0.95 C ATOM 65 CG LEU A 5 6.377 9.009 12.093 1.00 1.14 C ATOM 66 CD1 LEU A 5 5.068 9.007 11.288 1.00 1.59 C ATOM 67 CD2 LEU A 5 7.171 10.292 11.818 1.00 2.16 C ATOM 0 H LEU A 5 5.719 8.568 15.986 1.00 0.87 H new ATOM 0 HA LEU A 5 4.409 7.644 13.616 1.00 0.88 H new ATOM 0 HB2 LEU A 5 5.588 9.816 13.920 1.00 0.95 H new ATOM 0 HB3 LEU A 5 7.107 8.964 14.112 1.00 0.95 H new ATOM 0 HG LEU A 5 6.928 8.125 11.773 1.00 1.14 H new ATOM 0 HD11 LEU A 5 5.295 9.065 10.224 1.00 1.59 H new ATOM 0 HD12 LEU A 5 4.517 8.089 11.492 1.00 1.59 H new ATOM 0 HD13 LEU A 5 4.462 9.866 11.577 1.00 1.59 H new ATOM 0 HD21 LEU A 5 7.358 10.382 10.748 1.00 2.16 H new ATOM 0 HD22 LEU A 5 6.599 11.154 12.160 1.00 2.16 H new ATOM 0 HD23 LEU A 5 8.121 10.253 12.350 1.00 2.16 H new ATOM 79 N GLU A 6 7.060 5.912 14.492 1.00 0.84 N ATOM 80 CA GLU A 6 7.641 4.572 14.330 1.00 0.93 C ATOM 81 C GLU A 6 6.548 3.503 14.305 1.00 0.97 C ATOM 82 O GLU A 6 6.593 2.613 13.465 1.00 1.11 O ATOM 83 CB GLU A 6 8.646 4.298 15.459 1.00 1.06 C ATOM 84 CG GLU A 6 8.832 2.823 15.845 1.00 1.41 C ATOM 85 CD GLU A 6 9.834 2.045 15.001 1.00 2.46 C ATOM 86 OE1 GLU A 6 9.484 1.691 13.860 1.00 3.76 O ATOM 87 OE2 GLU A 6 10.919 1.785 15.566 1.00 3.19 O ATOM 0 H GLU A 6 7.470 6.448 15.257 1.00 0.84 H new ATOM 0 HA GLU A 6 8.166 4.532 13.376 1.00 0.93 H new ATOM 0 HB2 GLU A 6 9.614 4.702 15.164 1.00 1.06 H new ATOM 0 HB3 GLU A 6 8.328 4.848 16.344 1.00 1.06 H new ATOM 0 HG2 GLU A 6 9.147 2.775 16.887 1.00 1.41 H new ATOM 0 HG3 GLU A 6 7.865 2.324 15.781 1.00 1.41 H new ATOM 94 N LYS A 7 5.544 3.561 15.189 1.00 0.86 N ATOM 95 CA LYS A 7 4.463 2.560 15.136 1.00 0.96 C ATOM 96 C LYS A 7 3.807 2.445 13.748 1.00 0.92 C ATOM 97 O LYS A 7 3.353 1.349 13.398 1.00 0.98 O ATOM 98 CB LYS A 7 3.423 2.773 16.255 1.00 1.18 C ATOM 99 CG LYS A 7 3.598 1.755 17.394 1.00 1.46 C ATOM 100 CD LYS A 7 4.885 1.965 18.199 1.00 2.01 C ATOM 101 CE LYS A 7 4.748 3.210 19.085 1.00 3.14 C ATOM 102 NZ LYS A 7 5.964 3.427 19.896 1.00 4.07 N ATOM 0 H LYS A 7 5.454 4.261 15.925 1.00 0.86 H new ATOM 0 HA LYS A 7 4.939 1.597 15.318 1.00 0.96 H new ATOM 0 HB2 LYS A 7 3.517 3.784 16.652 1.00 1.18 H new ATOM 0 HB3 LYS A 7 2.419 2.686 15.840 1.00 1.18 H new ATOM 0 HG2 LYS A 7 2.742 1.821 18.066 1.00 1.46 H new ATOM 0 HG3 LYS A 7 3.599 0.748 16.976 1.00 1.46 H new ATOM 0 HD2 LYS A 7 5.086 1.089 18.816 1.00 2.01 H new ATOM 0 HD3 LYS A 7 5.733 2.080 17.523 1.00 2.01 H new ATOM 0 HE2 LYS A 7 4.563 4.085 18.461 1.00 3.14 H new ATOM 0 HE3 LYS A 7 3.885 3.099 19.742 1.00 3.14 H new ATOM 0 HZ1 LYS A 7 5.996 4.416 20.216 1.00 4.07 H new ATOM 0 HZ2 LYS A 7 5.947 2.796 20.723 1.00 4.07 H new ATOM 0 HZ3 LYS A 7 6.806 3.221 19.321 1.00 4.07 H new ATOM 116 N ALA A 8 3.816 3.502 12.926 1.00 0.86 N ATOM 117 CA ALA A 8 3.403 3.425 11.526 1.00 0.86 C ATOM 118 C ALA A 8 4.370 2.594 10.665 1.00 0.74 C ATOM 119 O ALA A 8 3.915 1.668 9.993 1.00 0.71 O ATOM 120 CB ALA A 8 3.250 4.836 10.951 1.00 1.04 C ATOM 0 H ALA A 8 4.111 4.434 13.217 1.00 0.86 H new ATOM 0 HA ALA A 8 2.442 2.911 11.499 1.00 0.86 H new ATOM 0 HB1 ALA A 8 2.942 4.772 9.907 1.00 1.04 H new ATOM 0 HB2 ALA A 8 2.496 5.381 11.519 1.00 1.04 H new ATOM 0 HB3 ALA A 8 4.203 5.361 11.017 1.00 1.04 H new ATOM 126 N LEU A 9 5.677 2.882 10.710 1.00 0.74 N ATOM 127 CA LEU A 9 6.714 2.141 9.976 1.00 0.75 C ATOM 128 C LEU A 9 6.773 0.674 10.433 1.00 0.72 C ATOM 129 O LEU A 9 6.749 -0.222 9.585 1.00 0.71 O ATOM 130 CB LEU A 9 8.096 2.818 10.147 1.00 0.79 C ATOM 131 CG LEU A 9 8.352 4.158 9.420 1.00 0.77 C ATOM 132 CD1 LEU A 9 8.028 4.068 7.918 1.00 1.05 C ATOM 133 CD2 LEU A 9 7.613 5.347 10.050 1.00 1.04 C ATOM 0 H LEU A 9 6.051 3.650 11.267 1.00 0.74 H new ATOM 0 HA LEU A 9 6.451 2.156 8.918 1.00 0.75 H new ATOM 0 HB2 LEU A 9 8.256 2.982 11.213 1.00 0.79 H new ATOM 0 HB3 LEU A 9 8.856 2.110 9.816 1.00 0.79 H new ATOM 0 HG LEU A 9 9.419 4.346 9.538 1.00 0.77 H new ATOM 0 HD11 LEU A 9 8.222 5.031 7.446 1.00 1.05 H new ATOM 0 HD12 LEU A 9 8.654 3.305 7.456 1.00 1.05 H new ATOM 0 HD13 LEU A 9 6.978 3.805 7.787 1.00 1.05 H new ATOM 0 HD21 LEU A 9 7.838 6.254 9.489 1.00 1.04 H new ATOM 0 HD22 LEU A 9 6.539 5.162 10.025 1.00 1.04 H new ATOM 0 HD23 LEU A 9 7.936 5.470 11.084 1.00 1.04 H new ATOM 145 N THR A 10 6.775 0.425 11.748 1.00 0.75 N ATOM 146 CA THR A 10 6.703 -0.911 12.357 1.00 0.78 C ATOM 147 C THR A 10 5.486 -1.689 11.840 1.00 0.71 C ATOM 148 O THR A 10 5.641 -2.843 11.443 1.00 0.71 O ATOM 149 CB THR A 10 6.742 -0.756 13.885 1.00 0.95 C ATOM 150 OG1 THR A 10 8.074 -0.540 14.285 1.00 1.23 O ATOM 151 CG2 THR A 10 6.282 -2.002 14.642 1.00 1.06 C ATOM 0 H THR A 10 6.828 1.171 12.441 1.00 0.75 H new ATOM 0 HA THR A 10 7.564 -1.513 12.066 1.00 0.78 H new ATOM 0 HB THR A 10 6.070 0.070 14.118 1.00 0.95 H new ATOM 0 HG1 THR A 10 8.415 0.275 13.861 1.00 1.23 H new ATOM 0 HG21 THR A 10 6.337 -1.817 15.715 1.00 1.06 H new ATOM 0 HG22 THR A 10 5.254 -2.236 14.366 1.00 1.06 H new ATOM 0 HG23 THR A 10 6.927 -2.842 14.385 1.00 1.06 H new ATOM 159 N THR A 11 4.300 -1.067 11.738 1.00 0.69 N ATOM 160 CA THR A 11 3.098 -1.695 11.151 1.00 0.68 C ATOM 161 C THR A 11 3.278 -1.988 9.664 1.00 0.63 C ATOM 162 O THR A 11 2.906 -3.073 9.217 1.00 0.62 O ATOM 163 CB THR A 11 1.858 -0.831 11.358 1.00 0.69 C ATOM 164 OG1 THR A 11 1.656 -0.647 12.735 1.00 0.86 O ATOM 165 CG2 THR A 11 0.589 -1.479 10.800 1.00 0.83 C ATOM 0 H THR A 11 4.144 -0.112 12.060 1.00 0.69 H new ATOM 0 HA THR A 11 2.958 -2.641 11.673 1.00 0.68 H new ATOM 0 HB THR A 11 2.033 0.108 10.833 1.00 0.69 H new ATOM 0 HG1 THR A 11 2.170 0.129 13.040 1.00 0.86 H new ATOM 0 HG21 THR A 11 -0.262 -0.821 10.975 1.00 0.83 H new ATOM 0 HG22 THR A 11 0.706 -1.645 9.729 1.00 0.83 H new ATOM 0 HG23 THR A 11 0.418 -2.433 11.298 1.00 0.83 H new ATOM 173 N MET A 12 3.884 -1.068 8.902 1.00 0.64 N ATOM 174 CA MET A 12 4.230 -1.324 7.497 1.00 0.66 C ATOM 175 C MET A 12 5.130 -2.554 7.369 1.00 0.60 C ATOM 176 O MET A 12 4.756 -3.476 6.651 1.00 0.59 O ATOM 177 CB MET A 12 4.898 -0.106 6.829 1.00 0.78 C ATOM 178 CG MET A 12 3.963 1.086 6.624 1.00 0.90 C ATOM 179 SD MET A 12 4.827 2.538 5.967 1.00 1.18 S ATOM 180 CE MET A 12 3.457 3.345 5.103 1.00 0.79 C ATOM 0 H MET A 12 4.145 -0.140 9.235 1.00 0.64 H new ATOM 0 HA MET A 12 3.293 -1.515 6.974 1.00 0.66 H new ATOM 0 HB2 MET A 12 5.744 0.211 7.439 1.00 0.78 H new ATOM 0 HB3 MET A 12 5.299 -0.410 5.862 1.00 0.78 H new ATOM 0 HG2 MET A 12 3.163 0.803 5.940 1.00 0.90 H new ATOM 0 HG3 MET A 12 3.495 1.344 7.574 1.00 0.90 H new ATOM 0 HE1 MET A 12 3.816 4.254 4.621 1.00 0.79 H new ATOM 0 HE2 MET A 12 3.054 2.669 4.349 1.00 0.79 H new ATOM 0 HE3 MET A 12 2.675 3.598 5.818 1.00 0.79 H new ATOM 190 N VAL A 13 6.275 -2.605 8.062 1.00 0.66 N ATOM 191 CA VAL A 13 7.262 -3.696 7.887 1.00 0.72 C ATOM 192 C VAL A 13 6.797 -5.046 8.465 1.00 0.80 C ATOM 193 O VAL A 13 7.174 -6.090 7.927 1.00 0.91 O ATOM 194 CB VAL A 13 8.670 -3.354 8.429 1.00 0.81 C ATOM 195 CG1 VAL A 13 9.274 -2.172 7.653 1.00 0.86 C ATOM 196 CG2 VAL A 13 8.683 -3.073 9.932 1.00 0.88 C ATOM 0 H VAL A 13 6.548 -1.905 8.752 1.00 0.66 H new ATOM 0 HA VAL A 13 7.336 -3.800 6.805 1.00 0.72 H new ATOM 0 HB VAL A 13 9.286 -4.240 8.274 1.00 0.81 H new ATOM 0 HG11 VAL A 13 10.264 -1.945 8.048 1.00 0.86 H new ATOM 0 HG12 VAL A 13 9.355 -2.433 6.598 1.00 0.86 H new ATOM 0 HG13 VAL A 13 8.631 -1.298 7.762 1.00 0.86 H new ATOM 0 HG21 VAL A 13 9.699 -2.840 10.250 1.00 0.88 H new ATOM 0 HG22 VAL A 13 8.032 -2.227 10.150 1.00 0.88 H new ATOM 0 HG23 VAL A 13 8.327 -3.952 10.470 1.00 0.88 H new ATOM 206 N THR A 14 5.957 -5.050 9.512 1.00 0.80 N ATOM 207 CA THR A 14 5.338 -6.281 10.040 1.00 0.89 C ATOM 208 C THR A 14 4.283 -6.830 9.102 1.00 0.85 C ATOM 209 O THR A 14 4.395 -7.996 8.721 1.00 0.98 O ATOM 210 CB THR A 14 4.718 -6.108 11.429 1.00 1.00 C ATOM 211 OG1 THR A 14 3.959 -4.934 11.507 1.00 1.56 O ATOM 212 CG2 THR A 14 5.787 -6.075 12.503 1.00 2.86 C ATOM 0 H THR A 14 5.687 -4.205 10.016 1.00 0.80 H new ATOM 0 HA THR A 14 6.163 -6.988 10.124 1.00 0.89 H new ATOM 0 HB THR A 14 4.066 -6.966 11.593 1.00 1.00 H new ATOM 0 HG1 THR A 14 4.547 -4.177 11.710 1.00 1.56 H new ATOM 0 HG21 THR A 14 5.318 -5.951 13.479 1.00 2.86 H new ATOM 0 HG22 THR A 14 6.349 -7.009 12.486 1.00 2.86 H new ATOM 0 HG23 THR A 14 6.464 -5.241 12.317 1.00 2.86 H new ATOM 220 N THR A 15 3.294 -6.015 8.706 1.00 0.77 N ATOM 221 CA THR A 15 2.224 -6.483 7.807 1.00 0.83 C ATOM 222 C THR A 15 2.812 -7.012 6.506 1.00 0.85 C ATOM 223 O THR A 15 2.451 -8.107 6.078 1.00 1.06 O ATOM 224 CB THR A 15 1.163 -5.417 7.484 1.00 0.78 C ATOM 225 OG1 THR A 15 1.780 -4.218 7.087 1.00 1.13 O ATOM 226 CG2 THR A 15 0.219 -5.135 8.645 1.00 1.29 C ATOM 0 H THR A 15 3.211 -5.039 8.989 1.00 0.77 H new ATOM 0 HA THR A 15 1.717 -7.279 8.352 1.00 0.83 H new ATOM 0 HB THR A 15 0.563 -5.824 6.670 1.00 0.78 H new ATOM 0 HG1 THR A 15 2.195 -3.791 7.865 1.00 1.13 H new ATOM 0 HG21 THR A 15 -0.504 -4.374 8.350 1.00 1.29 H new ATOM 0 HG22 THR A 15 -0.308 -6.050 8.916 1.00 1.29 H new ATOM 0 HG23 THR A 15 0.792 -4.779 9.501 1.00 1.29 H new ATOM 234 N PHE A 16 3.771 -6.277 5.940 1.00 0.71 N ATOM 235 CA PHE A 16 4.532 -6.606 4.737 1.00 0.69 C ATOM 236 C PHE A 16 5.289 -7.940 4.803 1.00 0.66 C ATOM 237 O PHE A 16 5.346 -8.640 3.792 1.00 0.58 O ATOM 238 CB PHE A 16 5.509 -5.450 4.515 1.00 0.72 C ATOM 239 CG PHE A 16 6.440 -5.501 3.325 1.00 0.73 C ATOM 240 CD1 PHE A 16 6.080 -6.156 2.130 1.00 1.69 C ATOM 241 CD2 PHE A 16 7.671 -4.823 3.408 1.00 2.06 C ATOM 242 CE1 PHE A 16 6.958 -6.137 1.039 1.00 1.65 C ATOM 243 CE2 PHE A 16 8.523 -4.777 2.295 1.00 2.09 C ATOM 244 CZ PHE A 16 8.154 -5.416 1.102 1.00 0.75 C ATOM 0 H PHE A 16 4.053 -5.380 6.336 1.00 0.71 H new ATOM 0 HA PHE A 16 3.832 -6.734 3.911 1.00 0.69 H new ATOM 0 HB2 PHE A 16 4.924 -4.534 4.437 1.00 0.72 H new ATOM 0 HB3 PHE A 16 6.123 -5.361 5.411 1.00 0.72 H new ATOM 0 HD1 PHE A 16 5.133 -6.669 2.056 1.00 1.69 H new ATOM 0 HD2 PHE A 16 7.959 -4.338 4.329 1.00 2.06 H new ATOM 0 HE1 PHE A 16 6.709 -6.684 0.142 1.00 1.65 H new ATOM 0 HE2 PHE A 16 9.463 -4.249 2.356 1.00 2.09 H new ATOM 0 HZ PHE A 16 8.793 -5.351 0.234 1.00 0.75 H new ATOM 254 N HIS A 17 5.844 -8.344 5.951 1.00 0.78 N ATOM 255 CA HIS A 17 6.500 -9.654 6.079 1.00 0.80 C ATOM 256 C HIS A 17 5.518 -10.807 5.766 1.00 0.80 C ATOM 257 O HIS A 17 5.914 -11.827 5.205 1.00 0.91 O ATOM 258 CB HIS A 17 7.146 -9.804 7.465 1.00 1.03 C ATOM 259 CG HIS A 17 8.000 -11.053 7.596 1.00 1.40 C ATOM 260 ND1 HIS A 17 7.560 -12.356 7.511 1.00 2.37 N ATOM 261 CD2 HIS A 17 9.359 -11.113 7.774 1.00 1.56 C ATOM 262 CE1 HIS A 17 8.610 -13.175 7.647 1.00 2.62 C ATOM 263 NE2 HIS A 17 9.739 -12.466 7.804 1.00 2.02 N ATOM 0 H HIS A 17 5.853 -7.785 6.804 1.00 0.78 H new ATOM 0 HA HIS A 17 7.298 -9.711 5.339 1.00 0.80 H new ATOM 0 HB2 HIS A 17 7.762 -8.928 7.668 1.00 1.03 H new ATOM 0 HB3 HIS A 17 6.363 -9.826 8.223 1.00 1.03 H new ATOM 0 HD1 HIS A 17 6.593 -12.648 7.368 1.00 2.37 H new ATOM 0 HD2 HIS A 17 10.022 -10.267 7.874 1.00 1.56 H new ATOM 0 HE1 HIS A 17 8.556 -14.254 7.632 1.00 2.62 H new ATOM 272 N LYS A 18 4.219 -10.653 6.051 1.00 0.82 N ATOM 273 CA LYS A 18 3.197 -11.642 5.668 1.00 0.94 C ATOM 274 C LYS A 18 3.055 -11.822 4.135 1.00 0.83 C ATOM 275 O LYS A 18 2.459 -12.803 3.686 1.00 1.12 O ATOM 276 CB LYS A 18 1.864 -11.249 6.341 1.00 1.09 C ATOM 277 CG LYS A 18 1.112 -12.403 7.021 1.00 1.61 C ATOM 278 CD LYS A 18 0.672 -13.527 6.069 1.00 3.00 C ATOM 279 CE LYS A 18 -0.188 -14.593 6.762 1.00 3.56 C ATOM 280 NZ LYS A 18 -1.501 -14.061 7.202 1.00 3.93 N ATOM 0 H LYS A 18 3.846 -9.846 6.550 1.00 0.82 H new ATOM 0 HA LYS A 18 3.513 -12.623 6.023 1.00 0.94 H new ATOM 0 HB2 LYS A 18 2.064 -10.478 7.085 1.00 1.09 H new ATOM 0 HB3 LYS A 18 1.212 -10.805 5.589 1.00 1.09 H new ATOM 0 HG2 LYS A 18 1.750 -12.829 7.795 1.00 1.61 H new ATOM 0 HG3 LYS A 18 0.230 -12.001 7.520 1.00 1.61 H new ATOM 0 HD2 LYS A 18 0.110 -13.096 5.241 1.00 3.00 H new ATOM 0 HD3 LYS A 18 1.556 -14.001 5.642 1.00 3.00 H new ATOM 0 HE2 LYS A 18 -0.347 -15.428 6.079 1.00 3.56 H new ATOM 0 HE3 LYS A 18 0.350 -14.985 7.625 1.00 3.56 H new ATOM 0 HZ1 LYS A 18 -2.109 -14.847 7.508 1.00 3.93 H new ATOM 0 HZ2 LYS A 18 -1.361 -13.403 7.995 1.00 3.93 H new ATOM 0 HZ3 LYS A 18 -1.955 -13.560 6.412 1.00 3.93 H new ATOM 294 N TYR A 19 3.588 -10.897 3.333 1.00 0.61 N ATOM 295 CA TYR A 19 3.464 -10.836 1.869 1.00 0.83 C ATOM 296 C TYR A 19 4.819 -10.831 1.129 1.00 1.04 C ATOM 297 O TYR A 19 4.858 -10.551 -0.055 1.00 2.07 O ATOM 298 CB TYR A 19 2.639 -9.585 1.532 1.00 0.88 C ATOM 299 CG TYR A 19 1.246 -9.597 2.127 1.00 0.86 C ATOM 300 CD1 TYR A 19 0.221 -10.335 1.509 1.00 1.42 C ATOM 301 CD2 TYR A 19 0.982 -8.890 3.316 1.00 2.24 C ATOM 302 CE1 TYR A 19 -1.066 -10.367 2.079 1.00 1.39 C ATOM 303 CE2 TYR A 19 -0.296 -8.926 3.899 1.00 2.30 C ATOM 304 CZ TYR A 19 -1.325 -9.669 3.279 1.00 0.94 C ATOM 305 OH TYR A 19 -2.560 -9.700 3.848 1.00 1.06 O ATOM 0 H TYR A 19 4.147 -10.129 3.704 1.00 0.61 H new ATOM 0 HA TYR A 19 2.968 -11.743 1.522 1.00 0.83 H new ATOM 0 HB2 TYR A 19 3.170 -8.703 1.890 1.00 0.88 H new ATOM 0 HB3 TYR A 19 2.561 -9.493 0.449 1.00 0.88 H new ATOM 0 HD1 TYR A 19 0.421 -10.877 0.597 1.00 1.42 H new ATOM 0 HD2 TYR A 19 1.768 -8.316 3.783 1.00 2.24 H new ATOM 0 HE1 TYR A 19 -1.855 -10.926 1.598 1.00 1.39 H new ATOM 0 HE2 TYR A 19 -0.490 -8.389 4.816 1.00 2.30 H new ATOM 0 HH TYR A 19 -2.555 -9.165 4.669 1.00 1.06 H new ATOM 315 N SER A 20 5.926 -11.118 1.813 1.00 0.64 N ATOM 316 CA SER A 20 7.297 -11.119 1.268 1.00 0.73 C ATOM 317 C SER A 20 8.046 -12.333 1.847 1.00 0.89 C ATOM 318 O SER A 20 8.213 -13.370 1.197 1.00 1.44 O ATOM 319 CB SER A 20 7.978 -9.785 1.638 1.00 0.79 C ATOM 320 OG SER A 20 7.779 -9.409 2.993 1.00 1.51 O ATOM 0 H SER A 20 5.899 -11.367 2.802 1.00 0.64 H new ATOM 0 HA SER A 20 7.298 -11.204 0.181 1.00 0.73 H new ATOM 0 HB2 SER A 20 9.048 -9.865 1.444 1.00 0.79 H new ATOM 0 HB3 SER A 20 7.594 -8.997 0.990 1.00 0.79 H new ATOM 0 HG SER A 20 6.967 -8.865 3.066 1.00 1.51 H new ATOM 326 N GLY A 21 8.265 -12.296 3.169 1.00 1.03 N ATOM 327 CA GLY A 21 8.617 -13.439 4.030 1.00 1.09 C ATOM 328 C GLY A 21 7.456 -14.428 4.211 1.00 1.29 C ATOM 329 O GLY A 21 7.302 -15.035 5.269 1.00 1.85 O ATOM 0 H GLY A 21 8.199 -11.425 3.695 1.00 1.03 H new ATOM 0 HA2 GLY A 21 9.471 -13.963 3.600 1.00 1.09 H new ATOM 0 HA3 GLY A 21 8.929 -13.070 5.007 1.00 1.09 H new ATOM 332 N ARG A 22 6.634 -14.558 3.162 1.00 1.35 N ATOM 333 CA ARG A 22 5.593 -15.550 2.933 1.00 1.84 C ATOM 334 C ARG A 22 6.184 -16.862 2.385 1.00 2.06 C ATOM 335 O ARG A 22 5.724 -17.932 2.763 1.00 2.77 O ATOM 336 CB ARG A 22 4.608 -14.922 1.945 1.00 2.02 C ATOM 337 CG ARG A 22 3.268 -15.668 1.915 1.00 2.03 C ATOM 338 CD ARG A 22 2.298 -15.010 0.922 1.00 2.06 C ATOM 339 NE ARG A 22 2.863 -14.946 -0.430 1.00 2.16 N ATOM 340 CZ ARG A 22 3.225 -15.959 -1.200 1.00 2.63 C ATOM 341 NH1 ARG A 22 2.913 -17.213 -0.951 1.00 2.91 N ATOM 342 NH2 ARG A 22 3.957 -15.723 -2.254 1.00 4.22 N ATOM 0 H ARG A 22 6.693 -13.905 2.381 1.00 1.35 H new ATOM 0 HA ARG A 22 5.091 -15.814 3.864 1.00 1.84 H new ATOM 0 HB2 ARG A 22 4.437 -13.880 2.217 1.00 2.02 H new ATOM 0 HB3 ARG A 22 5.046 -14.923 0.947 1.00 2.02 H new ATOM 0 HG2 ARG A 22 3.432 -16.708 1.634 1.00 2.03 H new ATOM 0 HG3 ARG A 22 2.827 -15.673 2.912 1.00 2.03 H new ATOM 0 HD2 ARG A 22 1.364 -15.572 0.900 1.00 2.06 H new ATOM 0 HD3 ARG A 22 2.056 -14.003 1.263 1.00 2.06 H new ATOM 0 HE ARG A 22 2.992 -14.013 -0.822 1.00 2.16 H new ATOM 0 HH11 ARG A 22 2.362 -17.447 -0.125 1.00 2.91 H new ATOM 0 HH12 ARG A 22 3.222 -17.951 -1.584 1.00 2.91 H new ATOM 0 HH21 ARG A 22 4.242 -14.769 -2.474 1.00 4.22 H new ATOM 0 HH22 ARG A 22 4.245 -16.493 -2.858 1.00 4.22 H new ATOM 356 N GLU A 23 7.199 -16.753 1.513 1.00 1.86 N ATOM 357 CA GLU A 23 7.945 -17.876 0.914 1.00 2.54 C ATOM 358 C GLU A 23 9.473 -17.652 0.851 1.00 2.56 C ATOM 359 O GLU A 23 10.213 -18.627 0.959 1.00 3.27 O ATOM 360 CB GLU A 23 7.443 -18.149 -0.523 1.00 2.89 C ATOM 361 CG GLU A 23 6.082 -18.850 -0.566 1.00 3.67 C ATOM 362 CD GLU A 23 5.646 -19.141 -2.007 1.00 4.38 C ATOM 363 OE1 GLU A 23 6.180 -20.095 -2.603 1.00 5.12 O ATOM 364 OE2 GLU A 23 4.745 -18.415 -2.494 1.00 4.89 O ATOM 0 H GLU A 23 7.537 -15.846 1.192 1.00 1.86 H new ATOM 0 HA GLU A 23 7.761 -18.726 1.571 1.00 2.54 H new ATOM 0 HB2 GLU A 23 7.375 -17.204 -1.062 1.00 2.89 H new ATOM 0 HB3 GLU A 23 8.177 -18.762 -1.046 1.00 2.89 H new ATOM 0 HG2 GLU A 23 6.134 -19.783 -0.005 1.00 3.67 H new ATOM 0 HG3 GLU A 23 5.334 -18.226 -0.077 1.00 3.67 H new ATOM 371 N GLY A 24 9.961 -16.411 0.673 1.00 2.55 N ATOM 372 CA GLY A 24 11.380 -16.161 0.348 1.00 2.63 C ATOM 373 C GLY A 24 11.965 -14.846 0.860 1.00 2.27 C ATOM 374 O GLY A 24 12.228 -14.691 2.052 1.00 3.40 O ATOM 0 H GLY A 24 9.396 -15.565 0.748 1.00 2.55 H new ATOM 0 HA2 GLY A 24 11.974 -16.981 0.752 1.00 2.63 H new ATOM 0 HA3 GLY A 24 11.494 -16.188 -0.736 1.00 2.63 H new ATOM 377 N SER A 25 12.278 -13.930 -0.054 1.00 1.37 N ATOM 378 CA SER A 25 12.920 -12.639 0.227 1.00 1.11 C ATOM 379 C SER A 25 12.044 -11.753 1.132 1.00 1.08 C ATOM 380 O SER A 25 10.910 -11.422 0.803 1.00 1.46 O ATOM 381 CB SER A 25 13.280 -11.931 -1.092 1.00 1.43 C ATOM 382 OG SER A 25 12.557 -12.417 -2.223 1.00 2.88 O ATOM 0 H SER A 25 12.087 -14.067 -1.046 1.00 1.37 H new ATOM 0 HA SER A 25 13.842 -12.826 0.777 1.00 1.11 H new ATOM 0 HB2 SER A 25 13.091 -10.863 -0.983 1.00 1.43 H new ATOM 0 HB3 SER A 25 14.348 -12.049 -1.277 1.00 1.43 H new ATOM 0 HG SER A 25 12.389 -11.679 -2.845 1.00 2.88 H new ATOM 388 N LYS A 26 12.522 -11.391 2.334 1.00 1.05 N ATOM 389 CA LYS A 26 11.560 -11.094 3.410 1.00 1.16 C ATOM 390 C LYS A 26 11.145 -9.616 3.545 1.00 1.25 C ATOM 391 O LYS A 26 10.459 -9.262 4.501 1.00 1.51 O ATOM 392 CB LYS A 26 12.011 -11.781 4.708 1.00 1.49 C ATOM 393 CG LYS A 26 13.268 -11.180 5.349 1.00 1.58 C ATOM 394 CD LYS A 26 13.878 -12.121 6.393 1.00 1.76 C ATOM 395 CE LYS A 26 12.933 -12.467 7.554 1.00 2.62 C ATOM 396 NZ LYS A 26 12.403 -13.845 7.445 1.00 3.54 N ATOM 0 H LYS A 26 13.508 -11.300 2.579 1.00 1.05 H new ATOM 0 HA LYS A 26 10.604 -11.532 3.124 1.00 1.16 H new ATOM 0 HB2 LYS A 26 11.195 -11.736 5.429 1.00 1.49 H new ATOM 0 HB3 LYS A 26 12.194 -12.835 4.500 1.00 1.49 H new ATOM 0 HG2 LYS A 26 14.006 -10.969 4.575 1.00 1.58 H new ATOM 0 HG3 LYS A 26 13.017 -10.229 5.819 1.00 1.58 H new ATOM 0 HD2 LYS A 26 14.184 -13.044 5.900 1.00 1.76 H new ATOM 0 HD3 LYS A 26 14.780 -11.662 6.797 1.00 1.76 H new ATOM 0 HE2 LYS A 26 13.464 -12.357 8.499 1.00 2.62 H new ATOM 0 HE3 LYS A 26 12.104 -11.760 7.570 1.00 2.62 H new ATOM 0 HZ1 LYS A 26 12.155 -14.198 8.392 1.00 3.54 H new ATOM 0 HZ2 LYS A 26 11.555 -13.844 6.843 1.00 3.54 H new ATOM 0 HZ3 LYS A 26 13.126 -14.463 7.024 1.00 3.54 H new ATOM 410 N LEU A 27 11.591 -8.759 2.615 1.00 1.23 N ATOM 411 CA LEU A 27 11.364 -7.299 2.593 1.00 1.48 C ATOM 412 C LEU A 27 11.146 -6.735 1.172 1.00 1.07 C ATOM 413 O LEU A 27 11.199 -5.521 0.962 1.00 1.04 O ATOM 414 CB LEU A 27 12.545 -6.600 3.288 1.00 2.16 C ATOM 415 CG LEU A 27 12.685 -6.862 4.802 1.00 3.65 C ATOM 416 CD1 LEU A 27 14.042 -6.323 5.239 1.00 4.06 C ATOM 417 CD2 LEU A 27 11.569 -6.200 5.622 1.00 4.74 C ATOM 0 H LEU A 27 12.146 -9.075 1.819 1.00 1.23 H new ATOM 0 HA LEU A 27 10.438 -7.099 3.131 1.00 1.48 H new ATOM 0 HB2 LEU A 27 13.467 -6.913 2.798 1.00 2.16 H new ATOM 0 HB3 LEU A 27 12.449 -5.525 3.132 1.00 2.16 H new ATOM 0 HG LEU A 27 12.604 -7.934 4.982 1.00 3.65 H new ATOM 0 HD11 LEU A 27 14.174 -6.492 6.308 1.00 4.06 H new ATOM 0 HD12 LEU A 27 14.831 -6.836 4.690 1.00 4.06 H new ATOM 0 HD13 LEU A 27 14.093 -5.254 5.032 1.00 4.06 H new ATOM 0 HD21 LEU A 27 11.717 -6.417 6.680 1.00 4.74 H new ATOM 0 HD22 LEU A 27 11.594 -5.122 5.466 1.00 4.74 H new ATOM 0 HD23 LEU A 27 10.603 -6.591 5.303 1.00 4.74 H new ATOM 429 N THR A 28 10.877 -7.631 0.223 1.00 0.92 N ATOM 430 CA THR A 28 10.461 -7.374 -1.164 1.00 0.78 C ATOM 431 C THR A 28 9.269 -8.260 -1.547 1.00 0.74 C ATOM 432 O THR A 28 9.113 -9.343 -0.989 1.00 0.81 O ATOM 433 CB THR A 28 11.633 -7.617 -2.122 1.00 0.90 C ATOM 434 OG1 THR A 28 12.328 -8.769 -1.720 1.00 1.21 O ATOM 435 CG2 THR A 28 12.645 -6.473 -2.140 1.00 1.01 C ATOM 0 H THR A 28 10.948 -8.631 0.413 1.00 0.92 H new ATOM 0 HA THR A 28 10.152 -6.332 -1.242 1.00 0.78 H new ATOM 0 HB THR A 28 11.198 -7.713 -3.117 1.00 0.90 H new ATOM 0 HG1 THR A 28 12.112 -9.509 -2.325 1.00 1.21 H new ATOM 0 HG21 THR A 28 13.448 -6.709 -2.838 1.00 1.01 H new ATOM 0 HG22 THR A 28 12.150 -5.554 -2.454 1.00 1.01 H new ATOM 0 HG23 THR A 28 13.060 -6.339 -1.141 1.00 1.01 H new ATOM 443 N LEU A 29 8.415 -7.832 -2.485 1.00 0.83 N ATOM 444 CA LEU A 29 7.234 -8.594 -2.952 1.00 0.92 C ATOM 445 C LEU A 29 6.846 -8.323 -4.410 1.00 0.89 C ATOM 446 O LEU A 29 7.287 -7.355 -5.016 1.00 0.87 O ATOM 447 CB LEU A 29 6.019 -8.434 -2.005 1.00 1.02 C ATOM 448 CG LEU A 29 5.040 -7.261 -2.249 1.00 1.02 C ATOM 449 CD1 LEU A 29 3.846 -7.357 -1.290 1.00 1.17 C ATOM 450 CD2 LEU A 29 5.647 -5.858 -2.146 1.00 1.15 C ATOM 0 H LEU A 29 8.521 -6.932 -2.953 1.00 0.83 H new ATOM 0 HA LEU A 29 7.549 -9.637 -2.920 1.00 0.92 H new ATOM 0 HB2 LEU A 29 5.444 -9.359 -2.045 1.00 1.02 H new ATOM 0 HB3 LEU A 29 6.401 -8.340 -0.989 1.00 1.02 H new ATOM 0 HG LEU A 29 4.733 -7.377 -3.288 1.00 1.02 H new ATOM 0 HD11 LEU A 29 3.165 -6.526 -1.472 1.00 1.17 H new ATOM 0 HD12 LEU A 29 3.322 -8.298 -1.455 1.00 1.17 H new ATOM 0 HD13 LEU A 29 4.202 -7.315 -0.261 1.00 1.17 H new ATOM 0 HD21 LEU A 29 4.874 -5.113 -2.334 1.00 1.15 H new ATOM 0 HD22 LEU A 29 6.057 -5.711 -1.147 1.00 1.15 H new ATOM 0 HD23 LEU A 29 6.442 -5.751 -2.884 1.00 1.15 H new ATOM 462 N SER A 30 5.992 -9.175 -4.970 1.00 0.94 N ATOM 463 CA SER A 30 5.549 -9.045 -6.364 1.00 0.87 C ATOM 464 C SER A 30 4.450 -7.976 -6.554 1.00 0.89 C ATOM 465 O SER A 30 3.616 -7.759 -5.668 1.00 0.96 O ATOM 466 CB SER A 30 5.112 -10.423 -6.883 1.00 0.92 C ATOM 467 OG SER A 30 4.027 -10.965 -6.146 1.00 1.49 O ATOM 0 H SER A 30 5.587 -9.972 -4.478 1.00 0.94 H new ATOM 0 HA SER A 30 6.391 -8.689 -6.957 1.00 0.87 H new ATOM 0 HB2 SER A 30 4.828 -10.339 -7.932 1.00 0.92 H new ATOM 0 HB3 SER A 30 5.957 -11.110 -6.836 1.00 0.92 H new ATOM 0 HG SER A 30 4.330 -11.203 -5.245 1.00 1.49 H new ATOM 473 N ARG A 31 4.384 -7.288 -7.705 1.00 0.90 N ATOM 474 CA ARG A 31 3.418 -6.172 -7.882 1.00 0.98 C ATOM 475 C ARG A 31 1.944 -6.624 -7.782 1.00 1.06 C ATOM 476 O ARG A 31 1.065 -5.834 -7.432 1.00 1.16 O ATOM 477 CB ARG A 31 3.587 -5.431 -9.218 1.00 1.19 C ATOM 478 CG ARG A 31 4.988 -5.212 -9.806 1.00 1.51 C ATOM 479 CD ARG A 31 5.876 -4.156 -9.130 1.00 1.88 C ATOM 480 NE ARG A 31 5.388 -2.753 -9.139 1.00 2.26 N ATOM 481 CZ ARG A 31 4.882 -2.000 -10.115 1.00 2.19 C ATOM 482 NH1 ARG A 31 4.547 -2.443 -11.310 1.00 2.92 N ATOM 483 NH2 ARG A 31 4.686 -0.725 -9.871 1.00 2.95 N ATOM 0 H ARG A 31 4.972 -7.473 -8.517 1.00 0.90 H new ATOM 0 HA ARG A 31 3.652 -5.498 -7.058 1.00 0.98 H new ATOM 0 HB2 ARG A 31 3.004 -5.972 -9.964 1.00 1.19 H new ATOM 0 HB3 ARG A 31 3.127 -4.449 -9.104 1.00 1.19 H new ATOM 0 HG2 ARG A 31 5.517 -6.164 -9.781 1.00 1.51 H new ATOM 0 HG3 ARG A 31 4.875 -4.937 -10.855 1.00 1.51 H new ATOM 0 HD2 ARG A 31 6.026 -4.455 -8.093 1.00 1.88 H new ATOM 0 HD3 ARG A 31 6.853 -4.177 -9.613 1.00 1.88 H new ATOM 0 HE ARG A 31 5.452 -2.282 -8.237 1.00 2.26 H new ATOM 0 HH11 ARG A 31 4.670 -3.429 -11.541 1.00 2.92 H new ATOM 0 HH12 ARG A 31 4.165 -1.800 -12.004 1.00 2.92 H new ATOM 0 HH21 ARG A 31 4.920 -0.339 -8.956 1.00 2.95 H new ATOM 0 HH22 ARG A 31 4.300 -0.120 -10.596 1.00 2.95 H new ATOM 497 N LYS A 32 1.642 -7.894 -8.080 1.00 1.06 N ATOM 498 CA LYS A 32 0.305 -8.484 -7.892 1.00 1.18 C ATOM 499 C LYS A 32 -0.077 -8.602 -6.399 1.00 1.15 C ATOM 500 O LYS A 32 -1.188 -8.249 -5.995 1.00 1.24 O ATOM 501 CB LYS A 32 0.312 -9.849 -8.594 1.00 1.25 C ATOM 502 CG LYS A 32 -1.094 -10.444 -8.812 1.00 1.73 C ATOM 503 CD LYS A 32 -1.289 -10.862 -10.277 1.00 2.32 C ATOM 504 CE LYS A 32 -1.469 -9.630 -11.174 1.00 3.76 C ATOM 505 NZ LYS A 32 -1.186 -9.902 -12.599 1.00 4.76 N ATOM 0 H LYS A 32 2.324 -8.549 -8.462 1.00 1.06 H new ATOM 0 HA LYS A 32 -0.456 -7.837 -8.328 1.00 1.18 H new ATOM 0 HB2 LYS A 32 0.807 -9.748 -9.560 1.00 1.25 H new ATOM 0 HB3 LYS A 32 0.905 -10.548 -8.003 1.00 1.25 H new ATOM 0 HG2 LYS A 32 -1.233 -11.307 -8.161 1.00 1.73 H new ATOM 0 HG3 LYS A 32 -1.851 -9.711 -8.535 1.00 1.73 H new ATOM 0 HD2 LYS A 32 -0.428 -11.440 -10.613 1.00 2.32 H new ATOM 0 HD3 LYS A 32 -2.161 -11.510 -10.362 1.00 2.32 H new ATOM 0 HE2 LYS A 32 -2.491 -9.264 -11.077 1.00 3.76 H new ATOM 0 HE3 LYS A 32 -0.811 -8.835 -10.825 1.00 3.76 H new ATOM 0 HZ1 LYS A 32 -1.780 -9.289 -13.194 1.00 4.76 H new ATOM 0 HZ2 LYS A 32 -0.183 -9.710 -12.797 1.00 4.76 H new ATOM 0 HZ3 LYS A 32 -1.396 -10.898 -12.811 1.00 4.76 H new ATOM 519 N GLU A 33 0.890 -9.044 -5.594 1.00 1.06 N ATOM 520 CA GLU A 33 0.827 -9.241 -4.142 1.00 1.01 C ATOM 521 C GLU A 33 0.695 -7.883 -3.416 1.00 1.00 C ATOM 522 O GLU A 33 -0.040 -7.784 -2.442 1.00 0.99 O ATOM 523 CB GLU A 33 2.105 -10.033 -3.807 1.00 1.10 C ATOM 524 CG GLU A 33 2.265 -10.904 -2.554 1.00 1.38 C ATOM 525 CD GLU A 33 3.553 -11.754 -2.677 1.00 2.83 C ATOM 526 OE1 GLU A 33 4.434 -11.372 -3.498 1.00 4.38 O ATOM 527 OE2 GLU A 33 3.627 -12.826 -2.021 1.00 3.32 O ATOM 0 H GLU A 33 1.807 -9.293 -5.966 1.00 1.06 H new ATOM 0 HA GLU A 33 -0.049 -9.796 -3.805 1.00 1.01 H new ATOM 0 HB2 GLU A 33 2.292 -10.687 -4.659 1.00 1.10 H new ATOM 0 HB3 GLU A 33 2.917 -9.306 -3.779 1.00 1.10 H new ATOM 0 HG2 GLU A 33 2.315 -10.275 -1.665 1.00 1.38 H new ATOM 0 HG3 GLU A 33 1.398 -11.554 -2.437 1.00 1.38 H new ATOM 534 N LEU A 34 1.265 -6.797 -3.961 1.00 1.07 N ATOM 535 CA LEU A 34 1.033 -5.426 -3.477 1.00 1.09 C ATOM 536 C LEU A 34 -0.428 -4.965 -3.618 1.00 1.07 C ATOM 537 O LEU A 34 -1.011 -4.510 -2.631 1.00 0.96 O ATOM 538 CB LEU A 34 1.986 -4.443 -4.180 1.00 1.15 C ATOM 539 CG LEU A 34 2.081 -3.109 -3.404 1.00 1.07 C ATOM 540 CD1 LEU A 34 3.177 -3.186 -2.344 1.00 1.44 C ATOM 541 CD2 LEU A 34 2.346 -1.898 -4.301 1.00 1.50 C ATOM 0 H LEU A 34 1.904 -6.845 -4.755 1.00 1.07 H new ATOM 0 HA LEU A 34 1.244 -5.435 -2.408 1.00 1.09 H new ATOM 0 HB2 LEU A 34 2.977 -4.890 -4.264 1.00 1.15 H new ATOM 0 HB3 LEU A 34 1.634 -4.253 -5.194 1.00 1.15 H new ATOM 0 HG LEU A 34 1.105 -2.966 -2.941 1.00 1.07 H new ATOM 0 HD11 LEU A 34 3.231 -2.239 -1.807 1.00 1.44 H new ATOM 0 HD12 LEU A 34 2.949 -3.989 -1.643 1.00 1.44 H new ATOM 0 HD13 LEU A 34 4.135 -3.385 -2.825 1.00 1.44 H new ATOM 0 HD21 LEU A 34 2.400 -0.997 -3.690 1.00 1.50 H new ATOM 0 HD22 LEU A 34 3.290 -2.036 -4.829 1.00 1.50 H new ATOM 0 HD23 LEU A 34 1.537 -1.797 -5.024 1.00 1.50 H new ATOM 553 N LYS A 35 -1.066 -5.091 -4.798 1.00 1.21 N ATOM 554 CA LYS A 35 -2.517 -4.843 -4.902 1.00 1.18 C ATOM 555 C LYS A 35 -3.296 -5.703 -3.897 1.00 1.02 C ATOM 556 O LYS A 35 -4.178 -5.192 -3.206 1.00 1.11 O ATOM 557 CB LYS A 35 -3.017 -5.059 -6.351 1.00 1.42 C ATOM 558 CG LYS A 35 -4.496 -5.511 -6.405 1.00 1.73 C ATOM 559 CD LYS A 35 -5.227 -5.226 -7.716 1.00 2.33 C ATOM 560 CE LYS A 35 -6.056 -3.942 -7.539 1.00 4.05 C ATOM 561 NZ LYS A 35 -6.943 -3.614 -8.687 1.00 5.39 N ATOM 0 H LYS A 35 -0.613 -5.356 -5.673 1.00 1.21 H new ATOM 0 HA LYS A 35 -2.701 -3.799 -4.648 1.00 1.18 H new ATOM 0 HB2 LYS A 35 -2.903 -4.132 -6.914 1.00 1.42 H new ATOM 0 HB3 LYS A 35 -2.393 -5.808 -6.840 1.00 1.42 H new ATOM 0 HG2 LYS A 35 -4.537 -6.583 -6.213 1.00 1.73 H new ATOM 0 HG3 LYS A 35 -5.036 -5.021 -5.595 1.00 1.73 H new ATOM 0 HD2 LYS A 35 -4.513 -5.107 -8.531 1.00 2.33 H new ATOM 0 HD3 LYS A 35 -5.874 -6.062 -7.979 1.00 2.33 H new ATOM 0 HE2 LYS A 35 -6.667 -4.040 -6.642 1.00 4.05 H new ATOM 0 HE3 LYS A 35 -5.376 -3.107 -7.372 1.00 4.05 H new ATOM 0 HZ1 LYS A 35 -7.629 -2.887 -8.399 1.00 5.39 H new ATOM 0 HZ2 LYS A 35 -6.370 -3.256 -9.477 1.00 5.39 H new ATOM 0 HZ3 LYS A 35 -7.452 -4.470 -8.988 1.00 5.39 H new ATOM 575 N GLU A 36 -2.977 -6.997 -3.830 1.00 0.97 N ATOM 576 CA GLU A 36 -3.650 -7.974 -2.989 1.00 0.88 C ATOM 577 C GLU A 36 -3.583 -7.537 -1.525 1.00 0.81 C ATOM 578 O GLU A 36 -4.629 -7.473 -0.888 1.00 0.83 O ATOM 579 CB GLU A 36 -3.013 -9.355 -3.240 1.00 1.04 C ATOM 580 CG GLU A 36 -3.605 -10.537 -2.468 1.00 1.14 C ATOM 581 CD GLU A 36 -5.032 -10.909 -2.846 1.00 1.42 C ATOM 582 OE1 GLU A 36 -5.762 -10.125 -3.500 1.00 2.14 O ATOM 583 OE2 GLU A 36 -5.495 -11.941 -2.312 1.00 2.56 O ATOM 0 H GLU A 36 -2.218 -7.401 -4.379 1.00 0.97 H new ATOM 0 HA GLU A 36 -4.709 -8.045 -3.238 1.00 0.88 H new ATOM 0 HB2 GLU A 36 -3.085 -9.574 -4.305 1.00 1.04 H new ATOM 0 HB3 GLU A 36 -1.952 -9.289 -2.999 1.00 1.04 H new ATOM 0 HG2 GLU A 36 -2.967 -11.407 -2.622 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -3.577 -10.306 -1.403 1.00 1.14 H new ATOM 590 N LEU A 37 -2.404 -7.128 -1.035 1.00 0.84 N ATOM 591 CA LEU A 37 -2.163 -6.686 0.338 1.00 0.76 C ATOM 592 C LEU A 37 -3.137 -5.582 0.751 1.00 0.71 C ATOM 593 O LEU A 37 -3.842 -5.717 1.752 1.00 0.72 O ATOM 594 CB LEU A 37 -0.673 -6.275 0.456 1.00 0.84 C ATOM 595 CG LEU A 37 -0.150 -5.821 1.841 1.00 0.71 C ATOM 596 CD1 LEU A 37 1.387 -5.781 1.806 1.00 2.24 C ATOM 597 CD2 LEU A 37 -0.630 -4.426 2.283 1.00 2.62 C ATOM 0 H LEU A 37 -1.562 -7.096 -1.610 1.00 0.84 H new ATOM 0 HA LEU A 37 -2.352 -7.498 1.040 1.00 0.76 H new ATOM 0 HB2 LEU A 37 -0.067 -7.121 0.131 1.00 0.84 H new ATOM 0 HB3 LEU A 37 -0.494 -5.465 -0.250 1.00 0.84 H new ATOM 0 HG LEU A 37 -0.546 -6.544 2.554 1.00 0.71 H new ATOM 0 HD11 LEU A 37 1.765 -5.462 2.777 1.00 2.24 H new ATOM 0 HD12 LEU A 37 1.772 -6.774 1.575 1.00 2.24 H new ATOM 0 HD13 LEU A 37 1.715 -5.078 1.040 1.00 2.24 H new ATOM 0 HD21 LEU A 37 -0.215 -4.192 3.263 1.00 2.62 H new ATOM 0 HD22 LEU A 37 -0.297 -3.681 1.561 1.00 2.62 H new ATOM 0 HD23 LEU A 37 -1.719 -4.416 2.339 1.00 2.62 H new ATOM 609 N ILE A 38 -3.197 -4.527 -0.060 1.00 0.77 N ATOM 610 CA ILE A 38 -4.045 -3.352 0.156 1.00 0.84 C ATOM 611 C ILE A 38 -5.521 -3.757 0.211 1.00 0.84 C ATOM 612 O ILE A 38 -6.263 -3.213 1.010 1.00 1.10 O ATOM 613 CB ILE A 38 -3.718 -2.293 -0.930 1.00 0.95 C ATOM 614 CG1 ILE A 38 -2.264 -1.797 -0.733 1.00 1.07 C ATOM 615 CG2 ILE A 38 -4.707 -1.115 -0.896 1.00 1.08 C ATOM 616 CD1 ILE A 38 -1.741 -0.915 -1.870 1.00 1.29 C ATOM 0 H ILE A 38 -2.640 -4.463 -0.912 1.00 0.77 H new ATOM 0 HA ILE A 38 -3.837 -2.894 1.123 1.00 0.84 H new ATOM 0 HB ILE A 38 -3.816 -2.759 -1.911 1.00 0.95 H new ATOM 0 HG12 ILE A 38 -2.206 -1.238 0.201 1.00 1.07 H new ATOM 0 HG13 ILE A 38 -1.608 -2.661 -0.628 1.00 1.07 H new ATOM 0 HG21 ILE A 38 -4.443 -0.396 -1.672 1.00 1.08 H new ATOM 0 HG22 ILE A 38 -5.718 -1.483 -1.071 1.00 1.08 H new ATOM 0 HG23 ILE A 38 -4.662 -0.630 0.079 1.00 1.08 H new ATOM 0 HD11 ILE A 38 -0.717 -0.611 -1.653 1.00 1.29 H new ATOM 0 HD12 ILE A 38 -1.763 -1.475 -2.805 1.00 1.29 H new ATOM 0 HD13 ILE A 38 -2.370 -0.030 -1.963 1.00 1.29 H new ATOM 628 N LYS A 39 -5.961 -4.763 -0.548 1.00 0.76 N ATOM 629 CA LYS A 39 -7.320 -5.292 -0.471 1.00 0.80 C ATOM 630 C LYS A 39 -7.505 -6.495 0.475 1.00 0.86 C ATOM 631 O LYS A 39 -8.625 -6.994 0.597 1.00 1.12 O ATOM 632 CB LYS A 39 -7.831 -5.540 -1.906 1.00 0.93 C ATOM 633 CG LYS A 39 -8.763 -4.392 -2.321 1.00 1.30 C ATOM 634 CD LYS A 39 -10.097 -4.462 -1.558 1.00 2.24 C ATOM 635 CE LYS A 39 -10.617 -3.064 -1.210 1.00 2.82 C ATOM 636 NZ LYS A 39 -11.940 -3.147 -0.554 1.00 3.75 N ATOM 0 H LYS A 39 -5.377 -5.236 -1.238 1.00 0.76 H new ATOM 0 HA LYS A 39 -7.944 -4.538 0.009 1.00 0.80 H new ATOM 0 HB2 LYS A 39 -6.990 -5.608 -2.596 1.00 0.93 H new ATOM 0 HB3 LYS A 39 -8.362 -6.490 -1.956 1.00 0.93 H new ATOM 0 HG2 LYS A 39 -8.278 -3.436 -2.125 1.00 1.30 H new ATOM 0 HG3 LYS A 39 -8.950 -4.441 -3.394 1.00 1.30 H new ATOM 0 HD2 LYS A 39 -10.837 -4.987 -2.163 1.00 2.24 H new ATOM 0 HD3 LYS A 39 -9.965 -5.040 -0.644 1.00 2.24 H new ATOM 0 HE2 LYS A 39 -9.910 -2.561 -0.551 1.00 2.82 H new ATOM 0 HE3 LYS A 39 -10.692 -2.462 -2.116 1.00 2.82 H new ATOM 0 HZ1 LYS A 39 -12.283 -2.188 -0.341 1.00 3.75 H new ATOM 0 HZ2 LYS A 39 -12.613 -3.623 -1.189 1.00 3.75 H new ATOM 0 HZ3 LYS A 39 -11.856 -3.688 0.330 1.00 3.75 H new ATOM 650 N LYS A 40 -6.457 -6.984 1.148 1.00 0.79 N ATOM 651 CA LYS A 40 -6.578 -7.982 2.220 1.00 0.93 C ATOM 652 C LYS A 40 -6.813 -7.332 3.566 1.00 1.02 C ATOM 653 O LYS A 40 -7.670 -7.767 4.330 1.00 1.33 O ATOM 654 CB LYS A 40 -5.319 -8.858 2.334 1.00 0.96 C ATOM 655 CG LYS A 40 -5.090 -9.884 1.225 1.00 1.51 C ATOM 656 CD LYS A 40 -6.364 -10.500 0.654 1.00 1.18 C ATOM 657 CE LYS A 40 -6.955 -9.688 -0.510 1.00 2.55 C ATOM 658 NZ LYS A 40 -7.638 -10.540 -1.511 1.00 2.65 N ATOM 0 H LYS A 40 -5.495 -6.698 0.964 1.00 0.79 H new ATOM 0 HA LYS A 40 -7.434 -8.601 1.951 1.00 0.93 H new ATOM 0 HB2 LYS A 40 -4.450 -8.201 2.373 1.00 0.96 H new ATOM 0 HB3 LYS A 40 -5.360 -9.389 3.285 1.00 0.96 H new ATOM 0 HG2 LYS A 40 -4.539 -9.406 0.415 1.00 1.51 H new ATOM 0 HG3 LYS A 40 -4.458 -10.683 1.613 1.00 1.51 H new ATOM 0 HD2 LYS A 40 -6.149 -11.512 0.311 1.00 1.18 H new ATOM 0 HD3 LYS A 40 -7.108 -10.583 1.447 1.00 1.18 H new ATOM 0 HE2 LYS A 40 -7.663 -8.958 -0.116 1.00 2.55 H new ATOM 0 HE3 LYS A 40 -6.158 -9.128 -0.999 1.00 2.55 H new ATOM 0 HZ1 LYS A 40 -7.717 -10.024 -2.410 1.00 2.65 H new ATOM 0 HZ2 LYS A 40 -7.089 -11.411 -1.658 1.00 2.65 H new ATOM 0 HZ3 LYS A 40 -8.589 -10.784 -1.168 1.00 2.65 H new ATOM 672 N GLU A 41 -6.001 -6.322 3.820 1.00 0.97 N ATOM 673 CA GLU A 41 -6.100 -5.495 5.025 1.00 1.28 C ATOM 674 C GLU A 41 -7.037 -4.292 4.831 1.00 1.62 C ATOM 675 O GLU A 41 -8.023 -4.200 5.554 1.00 2.52 O ATOM 676 CB GLU A 41 -4.711 -5.176 5.605 1.00 1.48 C ATOM 677 CG GLU A 41 -3.879 -4.090 4.910 1.00 2.61 C ATOM 678 CD GLU A 41 -4.164 -2.656 5.387 1.00 4.45 C ATOM 679 OE1 GLU A 41 -4.681 -2.460 6.517 1.00 5.12 O ATOM 680 OE2 GLU A 41 -3.789 -1.734 4.634 1.00 5.79 O ATOM 0 H GLU A 41 -5.245 -6.044 3.194 1.00 0.97 H new ATOM 0 HA GLU A 41 -6.592 -6.075 5.805 1.00 1.28 H new ATOM 0 HB2 GLU A 41 -4.842 -4.883 6.647 1.00 1.48 H new ATOM 0 HB3 GLU A 41 -4.128 -6.097 5.604 1.00 1.48 H new ATOM 0 HG2 GLU A 41 -2.822 -4.306 5.066 1.00 2.61 H new ATOM 0 HG3 GLU A 41 -4.061 -4.144 3.837 1.00 2.61 H new ATOM 687 N LEU A 42 -6.820 -3.417 3.841 1.00 1.19 N ATOM 688 CA LEU A 42 -7.474 -2.100 3.784 1.00 1.15 C ATOM 689 C LEU A 42 -8.931 -2.219 3.314 1.00 1.29 C ATOM 690 O LEU A 42 -9.284 -2.084 2.136 1.00 2.04 O ATOM 691 CB LEU A 42 -6.616 -1.090 2.989 1.00 1.15 C ATOM 692 CG LEU A 42 -6.334 0.200 3.775 1.00 1.10 C ATOM 693 CD1 LEU A 42 -5.261 1.034 3.062 1.00 1.64 C ATOM 694 CD2 LEU A 42 -7.596 1.054 3.961 1.00 1.93 C ATOM 0 H LEU A 42 -6.190 -3.599 3.060 1.00 1.19 H new ATOM 0 HA LEU A 42 -7.539 -1.689 4.791 1.00 1.15 H new ATOM 0 HB2 LEU A 42 -5.670 -1.559 2.717 1.00 1.15 H new ATOM 0 HB3 LEU A 42 -7.126 -0.839 2.059 1.00 1.15 H new ATOM 0 HG LEU A 42 -5.980 -0.100 4.761 1.00 1.10 H new ATOM 0 HD11 LEU A 42 -5.071 1.945 3.630 1.00 1.64 H new ATOM 0 HD12 LEU A 42 -4.341 0.455 2.987 1.00 1.64 H new ATOM 0 HD13 LEU A 42 -5.608 1.295 2.062 1.00 1.64 H new ATOM 0 HD21 LEU A 42 -7.346 1.955 4.522 1.00 1.93 H new ATOM 0 HD22 LEU A 42 -7.994 1.333 2.985 1.00 1.93 H new ATOM 0 HD23 LEU A 42 -8.345 0.482 4.508 1.00 1.93 H new ATOM 706 N CYS A 43 -9.785 -2.537 4.283 1.00 1.46 N ATOM 707 CA CYS A 43 -11.130 -3.064 4.073 1.00 1.91 C ATOM 708 C CYS A 43 -12.022 -2.160 3.247 1.00 2.20 C ATOM 709 O CYS A 43 -12.517 -2.571 2.191 1.00 3.08 O ATOM 710 CB CYS A 43 -11.696 -3.443 5.451 1.00 2.48 C ATOM 711 SG CYS A 43 -13.473 -3.797 5.354 1.00 3.34 S ATOM 0 H CYS A 43 -9.551 -2.431 5.270 1.00 1.46 H new ATOM 0 HA CYS A 43 -11.085 -3.958 3.451 1.00 1.91 H new ATOM 0 HB2 CYS A 43 -11.169 -4.316 5.836 1.00 2.48 H new ATOM 0 HB3 CYS A 43 -11.522 -2.629 6.155 1.00 2.48 H new ATOM 0 HG CYS A 43 -14.122 -2.977 6.127 1.00 3.34 H new ATOM 717 N LEU A 44 -12.194 -0.933 3.730 1.00 2.75 N ATOM 718 CA LEU A 44 -12.791 0.229 3.086 1.00 3.16 C ATOM 719 C LEU A 44 -14.316 0.175 2.888 1.00 4.16 C ATOM 720 O LEU A 44 -14.972 1.197 3.055 1.00 5.20 O ATOM 721 CB LEU A 44 -12.056 0.570 1.761 1.00 3.19 C ATOM 722 CG LEU A 44 -10.740 1.336 1.947 1.00 2.71 C ATOM 723 CD1 LEU A 44 -9.879 1.226 0.677 1.00 3.11 C ATOM 724 CD2 LEU A 44 -10.915 2.816 2.311 1.00 3.38 C ATOM 0 H LEU A 44 -11.888 -0.707 4.676 1.00 2.75 H new ATOM 0 HA LEU A 44 -12.648 1.040 3.800 1.00 3.16 H new ATOM 0 HB2 LEU A 44 -11.851 -0.356 1.225 1.00 3.19 H new ATOM 0 HB3 LEU A 44 -12.721 1.162 1.132 1.00 3.19 H new ATOM 0 HG LEU A 44 -10.246 0.864 2.797 1.00 2.71 H new ATOM 0 HD11 LEU A 44 -8.947 1.773 0.820 1.00 3.11 H new ATOM 0 HD12 LEU A 44 -9.657 0.178 0.478 1.00 3.11 H new ATOM 0 HD13 LEU A 44 -10.422 1.649 -0.168 1.00 3.11 H new ATOM 0 HD21 LEU A 44 -9.936 3.281 2.424 1.00 3.38 H new ATOM 0 HD22 LEU A 44 -11.468 3.322 1.520 1.00 3.38 H new ATOM 0 HD23 LEU A 44 -11.465 2.898 3.248 1.00 3.38 H new ATOM 736 N GLY A 45 -14.858 -0.950 2.408 1.00 4.05 N ATOM 737 CA GLY A 45 -15.767 -0.853 1.259 1.00 4.22 C ATOM 738 C GLY A 45 -14.871 -0.577 0.052 1.00 3.00 C ATOM 739 O GLY A 45 -13.843 -1.220 -0.073 1.00 3.84 O ATOM 0 H GLY A 45 -14.697 -1.889 2.772 1.00 4.05 H new ATOM 0 HA2 GLY A 45 -16.331 -1.776 1.126 1.00 4.22 H new ATOM 0 HA3 GLY A 45 -16.493 -0.053 1.400 1.00 4.22 H new ATOM 742 N GLU A 46 -15.186 0.427 -0.766 1.00 2.39 N ATOM 743 CA GLU A 46 -14.278 1.035 -1.765 1.00 3.17 C ATOM 744 C GLU A 46 -14.961 2.147 -2.569 1.00 3.16 C ATOM 745 O GLU A 46 -14.836 2.235 -3.783 1.00 4.47 O ATOM 746 CB GLU A 46 -13.470 0.044 -2.625 1.00 4.87 C ATOM 747 CG GLU A 46 -14.258 -1.125 -3.221 1.00 5.54 C ATOM 748 CD GLU A 46 -13.357 -2.363 -3.252 1.00 6.13 C ATOM 749 OE1 GLU A 46 -12.224 -2.260 -3.778 1.00 6.77 O ATOM 750 OE2 GLU A 46 -13.712 -3.357 -2.582 1.00 6.28 O ATOM 0 H GLU A 46 -16.109 0.861 -0.759 1.00 2.39 H new ATOM 0 HA GLU A 46 -13.499 1.513 -1.171 1.00 3.17 H new ATOM 0 HB2 GLU A 46 -13.006 0.597 -3.441 1.00 4.87 H new ATOM 0 HB3 GLU A 46 -12.663 -0.361 -2.015 1.00 4.87 H new ATOM 0 HG2 GLU A 46 -15.149 -1.322 -2.625 1.00 5.54 H new ATOM 0 HG3 GLU A 46 -14.595 -0.878 -4.228 1.00 5.54 H new ATOM 757 N MET A 47 -15.612 3.050 -1.841 1.00 2.47 N ATOM 758 CA MET A 47 -16.373 4.229 -2.292 1.00 3.06 C ATOM 759 C MET A 47 -15.655 5.275 -3.176 1.00 2.72 C ATOM 760 O MET A 47 -16.255 6.271 -3.562 1.00 3.33 O ATOM 761 CB MET A 47 -17.010 4.913 -1.072 1.00 4.02 C ATOM 762 CG MET A 47 -16.040 5.221 0.082 1.00 3.54 C ATOM 763 SD MET A 47 -15.745 3.818 1.198 1.00 3.87 S ATOM 764 CE MET A 47 -13.946 3.684 1.076 1.00 3.14 C ATOM 0 H MET A 47 -15.626 2.975 -0.824 1.00 2.47 H new ATOM 0 HA MET A 47 -17.109 3.811 -2.979 1.00 3.06 H new ATOM 0 HB2 MET A 47 -17.472 5.845 -1.397 1.00 4.02 H new ATOM 0 HB3 MET A 47 -17.810 4.276 -0.694 1.00 4.02 H new ATOM 0 HG2 MET A 47 -15.087 5.546 -0.336 1.00 3.54 H new ATOM 0 HG3 MET A 47 -16.435 6.055 0.661 1.00 3.54 H new ATOM 0 HE1 MET A 47 -13.581 2.989 1.832 1.00 3.14 H new ATOM 0 HE2 MET A 47 -13.675 3.318 0.086 1.00 3.14 H new ATOM 0 HE3 MET A 47 -13.496 4.664 1.236 1.00 3.14 H new ATOM 774 N LYS A 48 -14.388 5.074 -3.523 1.00 2.29 N ATOM 775 CA LYS A 48 -13.677 5.882 -4.515 1.00 2.18 C ATOM 776 C LYS A 48 -14.200 5.589 -5.934 1.00 2.82 C ATOM 777 O LYS A 48 -14.622 4.466 -6.207 1.00 3.52 O ATOM 778 CB LYS A 48 -12.134 5.755 -4.491 1.00 2.33 C ATOM 779 CG LYS A 48 -11.455 5.109 -3.282 1.00 2.80 C ATOM 780 CD LYS A 48 -11.704 3.608 -3.130 1.00 4.56 C ATOM 781 CE LYS A 48 -11.446 2.771 -4.393 1.00 5.95 C ATOM 782 NZ LYS A 48 -12.575 2.688 -5.366 1.00 7.30 N ATOM 0 H LYS A 48 -13.815 4.334 -3.118 1.00 2.29 H new ATOM 0 HA LYS A 48 -13.891 6.912 -4.230 1.00 2.18 H new ATOM 0 HB2 LYS A 48 -11.838 5.189 -5.374 1.00 2.33 H new ATOM 0 HB3 LYS A 48 -11.721 6.758 -4.602 1.00 2.33 H new ATOM 0 HG2 LYS A 48 -10.381 5.279 -3.353 1.00 2.80 H new ATOM 0 HG3 LYS A 48 -11.798 5.613 -2.378 1.00 2.80 H new ATOM 0 HD2 LYS A 48 -11.071 3.230 -2.327 1.00 4.56 H new ATOM 0 HD3 LYS A 48 -12.737 3.457 -2.818 1.00 4.56 H new ATOM 0 HE2 LYS A 48 -10.579 3.185 -4.908 1.00 5.95 H new ATOM 0 HE3 LYS A 48 -11.182 1.759 -4.086 1.00 5.95 H new ATOM 0 HZ1 LYS A 48 -12.486 1.817 -5.928 1.00 7.30 H new ATOM 0 HZ2 LYS A 48 -13.478 2.676 -4.850 1.00 7.30 H new ATOM 0 HZ3 LYS A 48 -12.549 3.513 -5.999 1.00 7.30 H new ATOM 796 N GLU A 49 -14.006 6.525 -6.853 1.00 3.08 N ATOM 797 CA GLU A 49 -14.078 6.255 -8.295 1.00 3.57 C ATOM 798 C GLU A 49 -12.863 5.424 -8.779 1.00 2.56 C ATOM 799 O GLU A 49 -12.244 4.697 -7.995 1.00 2.53 O ATOM 800 CB GLU A 49 -14.255 7.584 -9.057 1.00 4.76 C ATOM 801 CG GLU A 49 -15.617 8.237 -8.793 1.00 5.37 C ATOM 802 CD GLU A 49 -15.889 9.365 -9.787 1.00 6.48 C ATOM 803 OE1 GLU A 49 -15.749 9.094 -11.004 1.00 6.92 O ATOM 804 OE2 GLU A 49 -16.221 10.476 -9.324 1.00 7.39 O ATOM 0 H GLU A 49 -13.794 7.497 -6.626 1.00 3.08 H new ATOM 0 HA GLU A 49 -14.950 5.637 -8.508 1.00 3.57 H new ATOM 0 HB2 GLU A 49 -13.463 8.274 -8.766 1.00 4.76 H new ATOM 0 HB3 GLU A 49 -14.144 7.403 -10.126 1.00 4.76 H new ATOM 0 HG2 GLU A 49 -16.404 7.486 -8.866 1.00 5.37 H new ATOM 0 HG3 GLU A 49 -15.645 8.630 -7.777 1.00 5.37 H new ATOM 811 N SER A 50 -12.520 5.494 -10.072 1.00 2.50 N ATOM 812 CA SER A 50 -11.319 4.888 -10.653 1.00 2.07 C ATOM 813 C SER A 50 -10.064 5.760 -10.405 1.00 1.95 C ATOM 814 O SER A 50 -10.003 6.516 -9.435 1.00 2.41 O ATOM 815 CB SER A 50 -11.576 4.616 -12.147 1.00 2.98 C ATOM 816 OG SER A 50 -10.581 3.774 -12.709 1.00 4.29 O ATOM 0 H SER A 50 -13.088 5.988 -10.760 1.00 2.50 H new ATOM 0 HA SER A 50 -11.110 3.938 -10.162 1.00 2.07 H new ATOM 0 HB2 SER A 50 -12.555 4.153 -12.269 1.00 2.98 H new ATOM 0 HB3 SER A 50 -11.601 5.561 -12.689 1.00 2.98 H new ATOM 0 HG SER A 50 -10.141 4.238 -13.451 1.00 4.29 H new ATOM 822 N SER A 51 -9.022 5.604 -11.226 1.00 2.47 N ATOM 823 CA SER A 51 -7.716 6.297 -11.190 1.00 2.59 C ATOM 824 C SER A 51 -6.853 5.799 -10.029 1.00 2.26 C ATOM 825 O SER A 51 -5.694 5.456 -10.230 1.00 2.38 O ATOM 826 CB SER A 51 -7.863 7.824 -11.149 1.00 3.29 C ATOM 827 OG SER A 51 -8.618 8.257 -12.266 1.00 4.38 O ATOM 0 H SER A 51 -9.066 4.938 -11.997 1.00 2.47 H new ATOM 0 HA SER A 51 -7.208 6.051 -12.122 1.00 2.59 H new ATOM 0 HB2 SER A 51 -8.355 8.128 -10.225 1.00 3.29 H new ATOM 0 HB3 SER A 51 -6.880 8.295 -11.157 1.00 3.29 H new ATOM 0 HG SER A 51 -8.713 9.232 -12.238 1.00 4.38 H new ATOM 833 N ILE A 52 -7.457 5.606 -8.852 1.00 2.16 N ATOM 834 CA ILE A 52 -6.933 4.749 -7.774 1.00 2.04 C ATOM 835 C ILE A 52 -6.535 3.364 -8.282 1.00 1.74 C ATOM 836 O ILE A 52 -5.603 2.771 -7.752 1.00 1.88 O ATOM 837 CB ILE A 52 -7.974 4.605 -6.638 1.00 2.32 C ATOM 838 CG1 ILE A 52 -9.215 3.755 -7.007 1.00 2.71 C ATOM 839 CG2 ILE A 52 -8.403 5.978 -6.101 1.00 2.92 C ATOM 840 CD1 ILE A 52 -9.077 2.270 -6.602 1.00 2.44 C ATOM 0 H ILE A 52 -8.344 6.050 -8.613 1.00 2.16 H new ATOM 0 HA ILE A 52 -6.037 5.236 -7.389 1.00 2.04 H new ATOM 0 HB ILE A 52 -7.459 4.052 -5.852 1.00 2.32 H new ATOM 0 HG12 ILE A 52 -10.094 4.177 -6.521 1.00 2.71 H new ATOM 0 HG13 ILE A 52 -9.384 3.818 -8.082 1.00 2.71 H new ATOM 0 HG21 ILE A 52 -9.135 5.845 -5.304 1.00 2.92 H new ATOM 0 HG22 ILE A 52 -7.532 6.504 -5.710 1.00 2.92 H new ATOM 0 HG23 ILE A 52 -8.847 6.562 -6.907 1.00 2.92 H new ATOM 0 HD11 ILE A 52 -9.979 1.729 -6.888 1.00 2.44 H new ATOM 0 HD12 ILE A 52 -8.216 1.833 -7.109 1.00 2.44 H new ATOM 0 HD13 ILE A 52 -8.938 2.198 -5.523 1.00 2.44 H new ATOM 852 N ASP A 53 -7.251 2.850 -9.289 1.00 1.60 N ATOM 853 CA ASP A 53 -7.009 1.536 -9.871 1.00 1.65 C ATOM 854 C ASP A 53 -6.251 1.611 -11.201 1.00 1.41 C ATOM 855 O ASP A 53 -5.869 0.576 -11.726 1.00 1.34 O ATOM 856 CB ASP A 53 -8.306 0.710 -9.968 1.00 1.87 C ATOM 857 CG ASP A 53 -8.058 -0.753 -9.551 1.00 2.93 C ATOM 858 OD1 ASP A 53 -8.118 -1.065 -8.339 1.00 3.82 O ATOM 859 OD2 ASP A 53 -7.727 -1.607 -10.402 1.00 3.67 O ATOM 0 H ASP A 53 -8.027 3.348 -9.726 1.00 1.60 H new ATOM 0 HA ASP A 53 -6.349 1.003 -9.187 1.00 1.65 H new ATOM 0 HB2 ASP A 53 -9.071 1.150 -9.328 1.00 1.87 H new ATOM 0 HB3 ASP A 53 -8.687 0.742 -10.989 1.00 1.87 H new ATOM 864 N ASP A 54 -5.954 2.811 -11.716 1.00 1.45 N ATOM 865 CA ASP A 54 -4.917 2.970 -12.749 1.00 1.49 C ATOM 866 C ASP A 54 -3.528 2.837 -12.117 1.00 1.53 C ATOM 867 O ASP A 54 -2.668 2.134 -12.649 1.00 1.54 O ATOM 868 CB ASP A 54 -5.039 4.306 -13.490 1.00 1.73 C ATOM 869 CG ASP A 54 -4.010 4.357 -14.630 1.00 2.03 C ATOM 870 OD1 ASP A 54 -4.357 3.883 -15.735 1.00 2.65 O ATOM 871 OD2 ASP A 54 -2.877 4.829 -14.376 1.00 2.88 O ATOM 0 H ASP A 54 -6.411 3.680 -11.439 1.00 1.45 H new ATOM 0 HA ASP A 54 -5.060 2.179 -13.486 1.00 1.49 H new ATOM 0 HB2 ASP A 54 -6.046 4.421 -13.890 1.00 1.73 H new ATOM 0 HB3 ASP A 54 -4.874 5.133 -12.800 1.00 1.73 H new ATOM 876 N LEU A 55 -3.340 3.397 -10.910 1.00 1.62 N ATOM 877 CA LEU A 55 -2.183 3.090 -10.066 1.00 1.59 C ATOM 878 C LEU A 55 -2.051 1.574 -9.897 1.00 1.59 C ATOM 879 O LEU A 55 -0.980 1.022 -10.155 1.00 1.65 O ATOM 880 CB LEU A 55 -2.307 3.791 -8.696 1.00 1.47 C ATOM 881 CG LEU A 55 -2.458 5.320 -8.720 1.00 1.52 C ATOM 882 CD1 LEU A 55 -2.609 5.831 -7.283 1.00 1.52 C ATOM 883 CD2 LEU A 55 -1.277 6.000 -9.427 1.00 1.64 C ATOM 0 H LEU A 55 -3.985 4.071 -10.498 1.00 1.62 H new ATOM 0 HA LEU A 55 -1.282 3.465 -10.551 1.00 1.59 H new ATOM 0 HB2 LEU A 55 -3.167 3.371 -8.175 1.00 1.47 H new ATOM 0 HB3 LEU A 55 -1.425 3.544 -8.105 1.00 1.47 H new ATOM 0 HG LEU A 55 -3.351 5.574 -9.292 1.00 1.52 H new ATOM 0 HD11 LEU A 55 -2.717 6.916 -7.292 1.00 1.52 H new ATOM 0 HD12 LEU A 55 -3.492 5.382 -6.828 1.00 1.52 H new ATOM 0 HD13 LEU A 55 -1.726 5.559 -6.705 1.00 1.52 H new ATOM 0 HD21 LEU A 55 -1.423 7.080 -9.422 1.00 1.64 H new ATOM 0 HD22 LEU A 55 -0.351 5.757 -8.905 1.00 1.64 H new ATOM 0 HD23 LEU A 55 -1.217 5.647 -10.456 1.00 1.64 H new ATOM 895 N MET A 56 -3.143 0.884 -9.548 1.00 1.56 N ATOM 896 CA MET A 56 -3.184 -0.579 -9.431 1.00 1.60 C ATOM 897 C MET A 56 -2.918 -1.283 -10.772 1.00 1.56 C ATOM 898 O MET A 56 -2.239 -2.311 -10.804 1.00 1.59 O ATOM 899 CB MET A 56 -4.536 -1.036 -8.887 1.00 1.63 C ATOM 900 CG MET A 56 -4.825 -0.529 -7.477 1.00 1.82 C ATOM 901 SD MET A 56 -3.891 -1.396 -6.197 1.00 2.49 S ATOM 902 CE MET A 56 -5.101 -1.196 -4.889 1.00 2.14 C ATOM 0 H MET A 56 -4.035 1.331 -9.336 1.00 1.56 H new ATOM 0 HA MET A 56 -2.389 -0.857 -8.739 1.00 1.60 H new ATOM 0 HB2 MET A 56 -5.324 -0.692 -9.557 1.00 1.63 H new ATOM 0 HB3 MET A 56 -4.570 -2.125 -8.887 1.00 1.63 H new ATOM 0 HG2 MET A 56 -4.594 0.535 -7.427 1.00 1.82 H new ATOM 0 HG3 MET A 56 -5.891 -0.634 -7.273 1.00 1.82 H new ATOM 0 HE1 MET A 56 -4.732 -1.665 -3.977 1.00 2.14 H new ATOM 0 HE2 MET A 56 -5.270 -0.134 -4.708 1.00 2.14 H new ATOM 0 HE3 MET A 56 -6.038 -1.667 -5.185 1.00 2.14 H new ATOM 912 N LYS A 57 -3.385 -0.737 -11.898 1.00 1.57 N ATOM 913 CA LYS A 57 -3.039 -1.266 -13.222 1.00 1.61 C ATOM 914 C LYS A 57 -1.551 -1.042 -13.548 1.00 1.62 C ATOM 915 O LYS A 57 -0.934 -1.836 -14.257 1.00 1.69 O ATOM 916 CB LYS A 57 -3.955 -0.675 -14.316 1.00 1.80 C ATOM 917 CG LYS A 57 -4.581 -1.745 -15.227 1.00 1.98 C ATOM 918 CD LYS A 57 -3.562 -2.662 -15.918 1.00 3.42 C ATOM 919 CE LYS A 57 -4.281 -3.682 -16.802 1.00 4.25 C ATOM 920 NZ LYS A 57 -3.380 -4.801 -17.172 1.00 6.16 N ATOM 0 H LYS A 57 -4.005 0.073 -11.920 1.00 1.57 H new ATOM 0 HA LYS A 57 -3.206 -2.343 -13.201 1.00 1.61 H new ATOM 0 HB2 LYS A 57 -4.751 -0.100 -13.843 1.00 1.80 H new ATOM 0 HB3 LYS A 57 -3.379 0.020 -14.926 1.00 1.80 H new ATOM 0 HG2 LYS A 57 -5.260 -2.358 -14.634 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -5.182 -1.250 -15.990 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -2.877 -2.066 -16.521 1.00 3.42 H new ATOM 0 HD3 LYS A 57 -2.961 -3.179 -15.170 1.00 3.42 H new ATOM 0 HE2 LYS A 57 -5.153 -4.072 -16.277 1.00 4.25 H new ATOM 0 HE3 LYS A 57 -4.646 -3.192 -17.705 1.00 4.25 H new ATOM 0 HZ1 LYS A 57 -3.780 -5.315 -17.983 1.00 6.16 H new ATOM 0 HZ2 LYS A 57 -2.445 -4.424 -17.428 1.00 6.16 H new ATOM 0 HZ3 LYS A 57 -3.282 -5.450 -16.365 1.00 6.16 H new ATOM 934 N SER A 58 -0.943 0.014 -13.012 1.00 1.60 N ATOM 935 CA SER A 58 0.490 0.273 -13.099 1.00 1.63 C ATOM 936 C SER A 58 1.335 -0.658 -12.216 1.00 1.58 C ATOM 937 O SER A 58 2.499 -0.898 -12.561 1.00 1.75 O ATOM 938 CB SER A 58 0.794 1.752 -12.838 1.00 1.71 C ATOM 939 OG SER A 58 2.028 2.132 -13.433 1.00 2.41 O ATOM 0 H SER A 58 -1.448 0.731 -12.492 1.00 1.60 H new ATOM 0 HA SER A 58 0.787 0.042 -14.122 1.00 1.63 H new ATOM 0 HB2 SER A 58 -0.011 2.368 -13.238 1.00 1.71 H new ATOM 0 HB3 SER A 58 0.833 1.935 -11.764 1.00 1.71 H new ATOM 0 HG SER A 58 2.741 1.540 -13.114 1.00 2.41 H new ATOM 945 N LEU A 59 0.751 -1.249 -11.158 1.00 1.45 N ATOM 946 CA LEU A 59 1.277 -2.443 -10.485 1.00 1.35 C ATOM 947 C LEU A 59 1.192 -3.666 -11.410 1.00 1.41 C ATOM 948 O LEU A 59 2.205 -4.283 -11.715 1.00 1.51 O ATOM 949 CB LEU A 59 0.548 -2.736 -9.157 1.00 1.24 C ATOM 950 CG LEU A 59 0.477 -1.592 -8.130 1.00 1.22 C ATOM 951 CD1 LEU A 59 -0.314 -2.102 -6.918 1.00 1.30 C ATOM 952 CD2 LEU A 59 1.876 -1.105 -7.732 1.00 1.43 C ATOM 0 H LEU A 59 -0.114 -0.902 -10.743 1.00 1.45 H new ATOM 0 HA LEU A 59 2.321 -2.239 -10.249 1.00 1.35 H new ATOM 0 HB2 LEU A 59 -0.471 -3.044 -9.391 1.00 1.24 H new ATOM 0 HB3 LEU A 59 1.037 -3.587 -8.683 1.00 1.24 H new ATOM 0 HG LEU A 59 -0.027 -0.729 -8.565 1.00 1.22 H new ATOM 0 HD11 LEU A 59 -0.382 -1.312 -6.170 1.00 1.30 H new ATOM 0 HD12 LEU A 59 -1.317 -2.391 -7.233 1.00 1.30 H new ATOM 0 HD13 LEU A 59 0.194 -2.965 -6.489 1.00 1.30 H new ATOM 0 HD21 LEU A 59 1.787 -0.297 -7.006 1.00 1.43 H new ATOM 0 HD22 LEU A 59 2.436 -1.929 -7.291 1.00 1.43 H new ATOM 0 HD23 LEU A 59 2.400 -0.742 -8.616 1.00 1.43 H new ATOM 964 N ASP A 60 -0.015 -3.985 -11.877 1.00 1.40 N ATOM 965 CA ASP A 60 -0.323 -5.194 -12.650 1.00 1.47 C ATOM 966 C ASP A 60 0.439 -5.298 -13.988 1.00 1.52 C ATOM 967 O ASP A 60 0.828 -6.398 -14.376 1.00 1.84 O ATOM 968 CB ASP A 60 -1.845 -5.233 -12.851 1.00 1.54 C ATOM 969 CG ASP A 60 -2.311 -6.390 -13.733 1.00 2.17 C ATOM 970 OD1 ASP A 60 -2.340 -7.536 -13.230 1.00 2.61 O ATOM 971 OD2 ASP A 60 -2.674 -6.108 -14.898 1.00 3.38 O ATOM 0 H ASP A 60 -0.832 -3.393 -11.725 1.00 1.40 H new ATOM 0 HA ASP A 60 0.019 -6.064 -12.089 1.00 1.47 H new ATOM 0 HB2 ASP A 60 -2.331 -5.309 -11.878 1.00 1.54 H new ATOM 0 HB3 ASP A 60 -2.169 -4.293 -13.297 1.00 1.54 H new ATOM 976 N LYS A 61 0.712 -4.152 -14.629 1.00 1.39 N ATOM 977 CA LYS A 61 1.448 -3.926 -15.882 1.00 1.51 C ATOM 978 C LYS A 61 2.497 -4.997 -16.228 1.00 1.38 C ATOM 979 O LYS A 61 2.426 -5.604 -17.292 1.00 1.47 O ATOM 980 CB LYS A 61 2.094 -2.539 -15.714 1.00 1.79 C ATOM 981 CG LYS A 61 2.869 -2.022 -16.937 1.00 2.55 C ATOM 982 CD LYS A 61 2.264 -0.755 -17.551 1.00 2.98 C ATOM 983 CE LYS A 61 2.026 0.399 -16.562 1.00 3.71 C ATOM 984 NZ LYS A 61 3.160 0.634 -15.629 1.00 4.85 N ATOM 0 H LYS A 61 0.388 -3.266 -14.241 1.00 1.39 H new ATOM 0 HA LYS A 61 0.760 -3.985 -16.725 1.00 1.51 H new ATOM 0 HB2 LYS A 61 1.312 -1.820 -15.469 1.00 1.79 H new ATOM 0 HB3 LYS A 61 2.773 -2.574 -14.862 1.00 1.79 H new ATOM 0 HG2 LYS A 61 3.899 -1.819 -16.645 1.00 2.55 H new ATOM 0 HG3 LYS A 61 2.901 -2.805 -17.695 1.00 2.55 H new ATOM 0 HD2 LYS A 61 2.924 -0.403 -18.344 1.00 2.98 H new ATOM 0 HD3 LYS A 61 1.314 -1.014 -18.018 1.00 2.98 H new ATOM 0 HE2 LYS A 61 1.835 1.313 -17.124 1.00 3.71 H new ATOM 0 HE3 LYS A 61 1.128 0.188 -15.981 1.00 3.71 H new ATOM 0 HZ1 LYS A 61 2.922 1.413 -14.983 1.00 4.85 H new ATOM 0 HZ2 LYS A 61 3.341 -0.229 -15.078 1.00 4.85 H new ATOM 0 HZ3 LYS A 61 4.011 0.883 -16.173 1.00 4.85 H new ATOM 998 N ASN A 62 3.449 -5.192 -15.324 1.00 1.48 N ATOM 999 CA ASN A 62 4.404 -6.290 -15.302 1.00 1.48 C ATOM 1000 C ASN A 62 4.463 -6.689 -13.831 1.00 1.67 C ATOM 1001 O ASN A 62 4.895 -5.900 -12.995 1.00 3.15 O ATOM 1002 CB ASN A 62 5.774 -5.826 -15.822 1.00 1.96 C ATOM 1003 CG ASN A 62 5.705 -5.142 -17.181 1.00 2.19 C ATOM 1004 OD1 ASN A 62 5.521 -3.933 -17.276 1.00 2.35 O ATOM 1005 ND2 ASN A 62 5.831 -5.892 -18.262 1.00 3.07 N ATOM 0 H ASN A 62 3.582 -4.550 -14.542 1.00 1.48 H new ATOM 0 HA ASN A 62 4.117 -7.124 -15.943 1.00 1.48 H new ATOM 0 HB2 ASN A 62 6.215 -5.139 -15.100 1.00 1.96 H new ATOM 0 HB3 ASN A 62 6.439 -6.687 -15.890 1.00 1.96 H new ATOM 0 HD21 ASN A 62 5.776 -5.466 -19.187 1.00 3.07 H new ATOM 0 HD22 ASN A 62 5.984 -6.896 -18.171 1.00 3.07 H new ATOM 1012 N SER A 63 3.903 -7.836 -13.476 1.00 1.38 N ATOM 1013 CA SER A 63 3.569 -8.190 -12.095 1.00 1.40 C ATOM 1014 C SER A 63 4.680 -8.974 -11.399 1.00 1.46 C ATOM 1015 O SER A 63 4.629 -9.209 -10.193 1.00 1.61 O ATOM 1016 CB SER A 63 2.318 -9.070 -12.126 1.00 1.59 C ATOM 1017 OG SER A 63 1.152 -8.300 -12.375 1.00 2.16 O ATOM 0 H SER A 63 3.662 -8.564 -14.149 1.00 1.38 H new ATOM 0 HA SER A 63 3.418 -7.264 -11.540 1.00 1.40 H new ATOM 0 HB2 SER A 63 2.425 -9.831 -12.899 1.00 1.59 H new ATOM 0 HB3 SER A 63 2.215 -9.593 -11.175 1.00 1.59 H new ATOM 0 HG SER A 63 1.309 -7.705 -13.138 1.00 2.16 H new ATOM 1023 N ASP A 64 5.658 -9.401 -12.190 1.00 1.48 N ATOM 1024 CA ASP A 64 6.345 -10.692 -12.095 1.00 1.45 C ATOM 1025 C ASP A 64 7.789 -10.464 -11.620 1.00 1.38 C ATOM 1026 O ASP A 64 8.736 -11.189 -11.922 1.00 1.72 O ATOM 1027 CB ASP A 64 6.226 -11.361 -13.479 1.00 1.89 C ATOM 1028 CG ASP A 64 4.785 -11.283 -14.013 1.00 2.59 C ATOM 1029 OD1 ASP A 64 4.473 -10.272 -14.695 1.00 3.74 O ATOM 1030 OD2 ASP A 64 3.968 -12.154 -13.640 1.00 2.83 O ATOM 0 H ASP A 64 6.014 -8.829 -12.956 1.00 1.48 H new ATOM 0 HA ASP A 64 5.902 -11.363 -11.359 1.00 1.45 H new ATOM 0 HB2 ASP A 64 6.903 -10.874 -14.181 1.00 1.89 H new ATOM 0 HB3 ASP A 64 6.535 -12.404 -13.409 1.00 1.89 H new ATOM 1035 N GLN A 65 7.909 -9.340 -10.924 1.00 1.30 N ATOM 1036 CA GLN A 65 9.098 -8.628 -10.525 1.00 1.27 C ATOM 1037 C GLN A 65 8.919 -8.205 -9.074 1.00 1.09 C ATOM 1038 O GLN A 65 7.800 -7.872 -8.668 1.00 1.03 O ATOM 1039 CB GLN A 65 9.159 -7.339 -11.347 1.00 1.32 C ATOM 1040 CG GLN A 65 9.506 -7.537 -12.827 1.00 2.06 C ATOM 1041 CD GLN A 65 9.277 -6.258 -13.634 1.00 2.14 C ATOM 1042 OE1 GLN A 65 8.658 -6.256 -14.680 1.00 2.59 O ATOM 1043 NE2 GLN A 65 9.734 -5.108 -13.184 1.00 3.13 N ATOM 0 H GLN A 65 7.074 -8.858 -10.592 1.00 1.30 H new ATOM 0 HA GLN A 65 9.986 -9.245 -10.662 1.00 1.27 H new ATOM 0 HB2 GLN A 65 8.195 -6.835 -11.278 1.00 1.32 H new ATOM 0 HB3 GLN A 65 9.899 -6.674 -10.900 1.00 1.32 H new ATOM 0 HG2 GLN A 65 10.548 -7.845 -12.919 1.00 2.06 H new ATOM 0 HG3 GLN A 65 8.898 -8.342 -13.239 1.00 2.06 H new ATOM 0 HE21 GLN A 65 10.257 -5.074 -12.309 1.00 3.13 H new ATOM 0 HE22 GLN A 65 9.564 -4.251 -13.710 1.00 3.13 H new ATOM 1052 N GLU A 66 10.016 -8.115 -8.327 1.00 1.11 N ATOM 1053 CA GLU A 66 9.964 -7.573 -6.980 1.00 1.01 C ATOM 1054 C GLU A 66 9.894 -6.043 -6.979 1.00 0.96 C ATOM 1055 O GLU A 66 10.469 -5.357 -7.827 1.00 1.14 O ATOM 1056 CB GLU A 66 11.171 -8.033 -6.150 1.00 1.13 C ATOM 1057 CG GLU A 66 11.087 -9.499 -5.704 1.00 1.39 C ATOM 1058 CD GLU A 66 12.348 -9.899 -4.941 1.00 1.84 C ATOM 1059 OE1 GLU A 66 13.442 -9.742 -5.517 1.00 2.29 O ATOM 1060 OE2 GLU A 66 12.245 -10.351 -3.775 1.00 2.90 O ATOM 0 H GLU A 66 10.944 -8.409 -8.632 1.00 1.11 H new ATOM 0 HA GLU A 66 9.051 -7.957 -6.526 1.00 1.01 H new ATOM 0 HB2 GLU A 66 12.079 -7.892 -6.736 1.00 1.13 H new ATOM 0 HB3 GLU A 66 11.258 -7.398 -5.268 1.00 1.13 H new ATOM 0 HG2 GLU A 66 10.211 -9.643 -5.072 1.00 1.39 H new ATOM 0 HG3 GLU A 66 10.962 -10.143 -6.574 1.00 1.39 H new ATOM 1067 N ILE A 67 9.238 -5.526 -5.948 1.00 0.88 N ATOM 1068 CA ILE A 67 9.441 -4.186 -5.392 1.00 0.98 C ATOM 1069 C ILE A 67 9.837 -4.286 -3.924 1.00 0.83 C ATOM 1070 O ILE A 67 9.507 -5.257 -3.248 1.00 0.71 O ATOM 1071 CB ILE A 67 8.180 -3.313 -5.514 1.00 1.26 C ATOM 1072 CG1 ILE A 67 6.873 -4.095 -5.259 1.00 1.47 C ATOM 1073 CG2 ILE A 67 8.192 -2.637 -6.883 1.00 1.85 C ATOM 1074 CD1 ILE A 67 5.627 -3.213 -5.233 1.00 1.79 C ATOM 0 H ILE A 67 8.517 -6.049 -5.451 1.00 0.88 H new ATOM 0 HA ILE A 67 10.238 -3.715 -5.968 1.00 0.98 H new ATOM 0 HB ILE A 67 8.203 -2.555 -4.731 1.00 1.26 H new ATOM 0 HG12 ILE A 67 6.756 -4.852 -6.034 1.00 1.47 H new ATOM 0 HG13 ILE A 67 6.955 -4.622 -4.308 1.00 1.47 H new ATOM 0 HG21 ILE A 67 7.305 -2.013 -6.988 1.00 1.85 H new ATOM 0 HG22 ILE A 67 9.084 -2.018 -6.975 1.00 1.85 H new ATOM 0 HG23 ILE A 67 8.196 -3.397 -7.664 1.00 1.85 H new ATOM 0 HD11 ILE A 67 4.748 -3.831 -5.049 1.00 1.79 H new ATOM 0 HD12 ILE A 67 5.722 -2.472 -4.439 1.00 1.79 H new ATOM 0 HD13 ILE A 67 5.520 -2.706 -6.192 1.00 1.79 H new ATOM 1086 N ASP A 68 10.507 -3.251 -3.425 1.00 0.95 N ATOM 1087 CA ASP A 68 10.779 -3.077 -2.000 1.00 0.92 C ATOM 1088 C ASP A 68 9.663 -2.282 -1.293 1.00 0.82 C ATOM 1089 O ASP A 68 8.687 -1.806 -1.887 1.00 1.00 O ATOM 1090 CB ASP A 68 12.176 -2.441 -1.808 1.00 1.29 C ATOM 1091 CG ASP A 68 12.261 -0.931 -2.074 1.00 1.13 C ATOM 1092 OD1 ASP A 68 11.399 -0.384 -2.799 1.00 1.59 O ATOM 1093 OD2 ASP A 68 13.177 -0.277 -1.513 1.00 2.27 O ATOM 0 H ASP A 68 10.881 -2.500 -4.005 1.00 0.95 H new ATOM 0 HA ASP A 68 10.787 -4.057 -1.523 1.00 0.92 H new ATOM 0 HB2 ASP A 68 12.504 -2.631 -0.786 1.00 1.29 H new ATOM 0 HB3 ASP A 68 12.880 -2.948 -2.468 1.00 1.29 H new ATOM 1098 N PHE A 69 9.882 -2.074 0.005 1.00 0.77 N ATOM 1099 CA PHE A 69 9.091 -1.191 0.860 1.00 0.73 C ATOM 1100 C PHE A 69 8.910 0.264 0.355 1.00 0.70 C ATOM 1101 O PHE A 69 8.172 1.016 0.992 1.00 0.89 O ATOM 1102 CB PHE A 69 9.689 -1.203 2.291 1.00 0.89 C ATOM 1103 CG PHE A 69 11.197 -1.386 2.372 1.00 2.16 C ATOM 1104 CD1 PHE A 69 12.062 -0.506 1.695 1.00 4.02 C ATOM 1105 CD2 PHE A 69 11.733 -2.498 3.052 1.00 3.38 C ATOM 1106 CE1 PHE A 69 13.442 -0.765 1.656 1.00 6.11 C ATOM 1107 CE2 PHE A 69 13.115 -2.747 3.017 1.00 5.47 C ATOM 1108 CZ PHE A 69 13.968 -1.892 2.307 1.00 6.67 C ATOM 0 H PHE A 69 10.642 -2.532 0.507 1.00 0.77 H new ATOM 0 HA PHE A 69 8.080 -1.598 0.845 1.00 0.73 H new ATOM 0 HB2 PHE A 69 9.428 -0.266 2.782 1.00 0.89 H new ATOM 0 HB3 PHE A 69 9.213 -2.003 2.858 1.00 0.89 H new ATOM 0 HD1 PHE A 69 11.664 0.370 1.205 1.00 4.02 H new ATOM 0 HD2 PHE A 69 11.080 -3.160 3.601 1.00 3.38 H new ATOM 0 HE1 PHE A 69 14.101 -0.095 1.123 1.00 6.11 H new ATOM 0 HE2 PHE A 69 13.521 -3.601 3.539 1.00 5.47 H new ATOM 0 HZ PHE A 69 15.027 -2.099 2.261 1.00 6.67 H new ATOM 1118 N LYS A 70 9.552 0.717 -0.732 1.00 0.63 N ATOM 1119 CA LYS A 70 9.614 2.136 -1.092 1.00 0.74 C ATOM 1120 C LYS A 70 8.496 2.510 -2.061 1.00 0.79 C ATOM 1121 O LYS A 70 7.726 3.426 -1.759 1.00 0.84 O ATOM 1122 CB LYS A 70 11.005 2.392 -1.669 1.00 0.92 C ATOM 1123 CG LYS A 70 11.486 3.838 -1.538 1.00 1.35 C ATOM 1124 CD LYS A 70 12.987 3.939 -1.861 1.00 2.01 C ATOM 1125 CE LYS A 70 13.892 3.373 -0.744 1.00 3.31 C ATOM 1126 NZ LYS A 70 14.484 2.047 -1.069 1.00 3.81 N ATOM 0 H LYS A 70 10.043 0.106 -1.385 1.00 0.63 H new ATOM 0 HA LYS A 70 9.459 2.769 -0.218 1.00 0.74 H new ATOM 0 HB2 LYS A 70 11.719 1.738 -1.169 1.00 0.92 H new ATOM 0 HB3 LYS A 70 11.004 2.116 -2.723 1.00 0.92 H new ATOM 0 HG2 LYS A 70 10.919 4.479 -2.213 1.00 1.35 H new ATOM 0 HG3 LYS A 70 11.301 4.199 -0.526 1.00 1.35 H new ATOM 0 HD2 LYS A 70 13.189 3.404 -2.789 1.00 2.01 H new ATOM 0 HD3 LYS A 70 13.245 4.984 -2.033 1.00 2.01 H new ATOM 0 HE2 LYS A 70 14.696 4.082 -0.546 1.00 3.31 H new ATOM 0 HE3 LYS A 70 13.310 3.286 0.174 1.00 3.31 H new ATOM 0 HZ1 LYS A 70 15.182 1.791 -0.342 1.00 3.81 H new ATOM 0 HZ2 LYS A 70 13.732 1.329 -1.097 1.00 3.81 H new ATOM 0 HZ3 LYS A 70 14.952 2.094 -1.996 1.00 3.81 H new ATOM 1140 N GLU A 71 8.358 1.729 -3.138 1.00 0.82 N ATOM 1141 CA GLU A 71 7.144 1.671 -3.963 1.00 0.80 C ATOM 1142 C GLU A 71 5.923 1.473 -3.073 1.00 0.82 C ATOM 1143 O GLU A 71 4.975 2.248 -3.123 1.00 1.07 O ATOM 1144 CB GLU A 71 7.243 0.489 -4.934 1.00 0.81 C ATOM 1145 CG GLU A 71 7.901 0.904 -6.247 1.00 1.06 C ATOM 1146 CD GLU A 71 6.845 1.125 -7.347 1.00 1.84 C ATOM 1147 OE1 GLU A 71 6.258 0.115 -7.818 1.00 2.39 O ATOM 1148 OE2 GLU A 71 6.589 2.300 -7.691 1.00 3.21 O ATOM 0 H GLU A 71 9.098 1.109 -3.467 1.00 0.82 H new ATOM 0 HA GLU A 71 7.047 2.604 -4.518 1.00 0.80 H new ATOM 0 HB2 GLU A 71 7.818 -0.315 -4.474 1.00 0.81 H new ATOM 0 HB3 GLU A 71 6.247 0.094 -5.133 1.00 0.81 H new ATOM 0 HG2 GLU A 71 8.473 1.820 -6.098 1.00 1.06 H new ATOM 0 HG3 GLU A 71 8.606 0.135 -6.564 1.00 1.06 H new ATOM 1155 N TYR A 72 6.006 0.506 -2.162 1.00 0.65 N ATOM 1156 CA TYR A 72 4.922 0.176 -1.228 1.00 0.58 C ATOM 1157 C TYR A 72 4.517 1.389 -0.370 1.00 0.58 C ATOM 1158 O TYR A 72 3.336 1.717 -0.280 1.00 0.59 O ATOM 1159 CB TYR A 72 5.420 -1.024 -0.409 1.00 0.60 C ATOM 1160 CG TYR A 72 4.661 -1.420 0.860 1.00 0.61 C ATOM 1161 CD1 TYR A 72 3.270 -1.647 0.842 1.00 1.50 C ATOM 1162 CD2 TYR A 72 5.369 -1.642 2.061 1.00 1.80 C ATOM 1163 CE1 TYR A 72 2.622 -2.191 1.964 1.00 1.62 C ATOM 1164 CE2 TYR A 72 4.716 -2.133 3.206 1.00 1.82 C ATOM 1165 CZ TYR A 72 3.340 -2.440 3.151 1.00 0.88 C ATOM 1166 OH TYR A 72 2.693 -2.964 4.229 1.00 1.06 O ATOM 0 H TYR A 72 6.834 -0.079 -2.047 1.00 0.65 H new ATOM 0 HA TYR A 72 4.003 -0.090 -1.750 1.00 0.58 H new ATOM 0 HB2 TYR A 72 5.433 -1.891 -1.069 1.00 0.60 H new ATOM 0 HB3 TYR A 72 6.453 -0.824 -0.126 1.00 0.60 H new ATOM 0 HD1 TYR A 72 2.698 -1.401 -0.040 1.00 1.50 H new ATOM 0 HD2 TYR A 72 6.428 -1.432 2.101 1.00 1.80 H new ATOM 0 HE1 TYR A 72 1.568 -2.420 1.916 1.00 1.62 H new ATOM 0 HE2 TYR A 72 5.266 -2.275 4.124 1.00 1.82 H new ATOM 0 HH TYR A 72 3.333 -3.107 4.957 1.00 1.06 H new ATOM 1176 N SER A 73 5.489 2.115 0.187 1.00 0.61 N ATOM 1177 CA SER A 73 5.263 3.350 0.941 1.00 0.65 C ATOM 1178 C SER A 73 4.705 4.494 0.077 1.00 0.62 C ATOM 1179 O SER A 73 3.708 5.097 0.483 1.00 0.59 O ATOM 1180 CB SER A 73 6.553 3.755 1.653 1.00 0.68 C ATOM 1181 OG SER A 73 6.305 4.760 2.612 1.00 2.12 O ATOM 0 H SER A 73 6.474 1.856 0.125 1.00 0.61 H new ATOM 0 HA SER A 73 4.490 3.149 1.683 1.00 0.65 H new ATOM 0 HB2 SER A 73 6.994 2.884 2.139 1.00 0.68 H new ATOM 0 HB3 SER A 73 7.278 4.114 0.923 1.00 0.68 H new ATOM 0 HG SER A 73 7.119 4.923 3.133 1.00 2.12 H new ATOM 1187 N VAL A 74 5.255 4.766 -1.116 1.00 0.67 N ATOM 1188 CA VAL A 74 4.706 5.827 -1.973 1.00 0.72 C ATOM 1189 C VAL A 74 3.339 5.469 -2.528 1.00 0.71 C ATOM 1190 O VAL A 74 2.558 6.378 -2.745 1.00 0.72 O ATOM 1191 CB VAL A 74 5.597 6.283 -3.143 1.00 0.82 C ATOM 1192 CG1 VAL A 74 6.897 6.871 -2.606 1.00 0.89 C ATOM 1193 CG2 VAL A 74 5.907 5.222 -4.202 1.00 0.90 C ATOM 0 H VAL A 74 6.062 4.278 -1.503 1.00 0.67 H new ATOM 0 HA VAL A 74 4.640 6.668 -1.283 1.00 0.72 H new ATOM 0 HB VAL A 74 5.004 7.034 -3.666 1.00 0.82 H new ATOM 0 HG11 VAL A 74 7.523 7.192 -3.439 1.00 0.89 H new ATOM 0 HG12 VAL A 74 6.674 7.727 -1.969 1.00 0.89 H new ATOM 0 HG13 VAL A 74 7.426 6.115 -2.025 1.00 0.89 H new ATOM 0 HG21 VAL A 74 6.541 5.655 -4.976 1.00 0.90 H new ATOM 0 HG22 VAL A 74 6.425 4.383 -3.736 1.00 0.90 H new ATOM 0 HG23 VAL A 74 4.977 4.871 -4.649 1.00 0.90 H new ATOM 1203 N PHE A 75 3.016 4.193 -2.726 1.00 0.70 N ATOM 1204 CA PHE A 75 1.712 3.762 -3.202 1.00 0.69 C ATOM 1205 C PHE A 75 0.667 3.861 -2.094 1.00 0.63 C ATOM 1206 O PHE A 75 -0.404 4.400 -2.346 1.00 0.61 O ATOM 1207 CB PHE A 75 1.815 2.338 -3.755 1.00 0.70 C ATOM 1208 CG PHE A 75 0.611 1.947 -4.578 1.00 0.73 C ATOM 1209 CD1 PHE A 75 -0.594 1.549 -3.964 1.00 1.79 C ATOM 1210 CD2 PHE A 75 0.692 2.006 -5.980 1.00 2.04 C ATOM 1211 CE1 PHE A 75 -1.697 1.176 -4.752 1.00 1.80 C ATOM 1212 CE2 PHE A 75 -0.402 1.621 -6.761 1.00 2.11 C ATOM 1213 CZ PHE A 75 -1.603 1.223 -6.154 1.00 0.97 C ATOM 0 H PHE A 75 3.663 3.423 -2.557 1.00 0.70 H new ATOM 0 HA PHE A 75 1.387 4.422 -4.006 1.00 0.69 H new ATOM 0 HB2 PHE A 75 2.712 2.254 -4.368 1.00 0.70 H new ATOM 0 HB3 PHE A 75 1.928 1.638 -2.927 1.00 0.70 H new ATOM 0 HD1 PHE A 75 -0.670 1.531 -2.887 1.00 1.79 H new ATOM 0 HD2 PHE A 75 1.600 2.349 -6.454 1.00 2.04 H new ATOM 0 HE1 PHE A 75 -2.614 0.854 -4.281 1.00 1.80 H new ATOM 0 HE2 PHE A 75 -0.322 1.630 -7.838 1.00 2.11 H new ATOM 0 HZ PHE A 75 -2.453 0.953 -6.763 1.00 0.97 H new ATOM 1223 N LEU A 76 0.969 3.453 -0.857 1.00 0.62 N ATOM 1224 CA LEU A 76 0.073 3.676 0.285 1.00 0.58 C ATOM 1225 C LEU A 76 -0.159 5.178 0.539 1.00 0.59 C ATOM 1226 O LEU A 76 -1.284 5.588 0.819 1.00 0.62 O ATOM 1227 CB LEU A 76 0.667 3.011 1.533 1.00 0.55 C ATOM 1228 CG LEU A 76 0.562 1.474 1.562 1.00 0.57 C ATOM 1229 CD1 LEU A 76 1.419 0.950 2.719 1.00 1.02 C ATOM 1230 CD2 LEU A 76 -0.887 1.005 1.751 1.00 0.71 C ATOM 0 H LEU A 76 1.832 2.964 -0.619 1.00 0.62 H new ATOM 0 HA LEU A 76 -0.895 3.231 0.055 1.00 0.58 H new ATOM 0 HB2 LEU A 76 1.718 3.290 1.610 1.00 0.55 H new ATOM 0 HB3 LEU A 76 0.165 3.412 2.414 1.00 0.55 H new ATOM 0 HG LEU A 76 0.914 1.085 0.607 1.00 0.57 H new ATOM 0 HD11 LEU A 76 1.356 -0.138 2.755 1.00 1.02 H new ATOM 0 HD12 LEU A 76 2.456 1.249 2.568 1.00 1.02 H new ATOM 0 HD13 LEU A 76 1.055 1.365 3.659 1.00 1.02 H new ATOM 0 HD21 LEU A 76 -0.918 -0.084 1.766 1.00 0.71 H new ATOM 0 HD22 LEU A 76 -1.275 1.392 2.693 1.00 0.71 H new ATOM 0 HD23 LEU A 76 -1.499 1.374 0.928 1.00 0.71 H new ATOM 1242 N THR A 77 0.890 5.994 0.372 1.00 0.58 N ATOM 1243 CA THR A 77 0.853 7.462 0.449 1.00 0.59 C ATOM 1244 C THR A 77 0.011 8.074 -0.674 1.00 0.59 C ATOM 1245 O THR A 77 -0.859 8.901 -0.426 1.00 0.61 O ATOM 1246 CB THR A 77 2.285 8.004 0.408 1.00 0.61 C ATOM 1247 OG1 THR A 77 2.987 7.541 1.532 1.00 0.67 O ATOM 1248 CG2 THR A 77 2.305 9.528 0.449 1.00 0.69 C ATOM 0 H THR A 77 1.824 5.637 0.172 1.00 0.58 H new ATOM 0 HA THR A 77 0.379 7.745 1.389 1.00 0.59 H new ATOM 0 HB THR A 77 2.743 7.661 -0.520 1.00 0.61 H new ATOM 0 HG1 THR A 77 3.337 6.644 1.352 1.00 0.67 H new ATOM 0 HG21 THR A 77 3.336 9.879 0.418 1.00 0.69 H new ATOM 0 HG22 THR A 77 1.762 9.922 -0.410 1.00 0.69 H new ATOM 0 HG23 THR A 77 1.831 9.874 1.368 1.00 0.69 H new ATOM 1256 N MET A 78 0.256 7.651 -1.915 1.00 0.61 N ATOM 1257 CA MET A 78 -0.366 8.166 -3.140 1.00 0.69 C ATOM 1258 C MET A 78 -1.831 7.751 -3.252 1.00 0.68 C ATOM 1259 O MET A 78 -2.666 8.575 -3.603 1.00 0.72 O ATOM 1260 CB MET A 78 0.457 7.651 -4.328 1.00 0.90 C ATOM 1261 CG MET A 78 -0.050 8.088 -5.695 1.00 1.16 C ATOM 1262 SD MET A 78 1.100 7.780 -7.068 1.00 1.27 S ATOM 1263 CE MET A 78 1.534 6.037 -6.798 1.00 1.18 C ATOM 0 H MET A 78 0.925 6.905 -2.104 1.00 0.61 H new ATOM 0 HA MET A 78 -0.367 9.256 -3.125 1.00 0.69 H new ATOM 0 HB2 MET A 78 1.486 7.990 -4.213 1.00 0.90 H new ATOM 0 HB3 MET A 78 0.475 6.562 -4.294 1.00 0.90 H new ATOM 0 HG2 MET A 78 -0.987 7.571 -5.902 1.00 1.16 H new ATOM 0 HG3 MET A 78 -0.275 9.154 -5.660 1.00 1.16 H new ATOM 0 HE1 MET A 78 2.104 5.668 -7.651 1.00 1.18 H new ATOM 0 HE2 MET A 78 2.136 5.948 -5.894 1.00 1.18 H new ATOM 0 HE3 MET A 78 0.623 5.448 -6.687 1.00 1.18 H new ATOM 1273 N LEU A 79 -2.157 6.502 -2.913 1.00 0.72 N ATOM 1274 CA LEU A 79 -3.532 6.016 -2.828 1.00 0.85 C ATOM 1275 C LEU A 79 -4.305 6.697 -1.693 1.00 0.82 C ATOM 1276 O LEU A 79 -5.490 6.954 -1.872 1.00 0.93 O ATOM 1277 CB LEU A 79 -3.527 4.481 -2.688 1.00 1.04 C ATOM 1278 CG LEU A 79 -4.922 3.841 -2.566 1.00 0.85 C ATOM 1279 CD1 LEU A 79 -5.847 4.211 -3.734 1.00 1.59 C ATOM 1280 CD2 LEU A 79 -4.790 2.318 -2.481 1.00 1.62 C ATOM 0 H LEU A 79 -1.462 5.791 -2.687 1.00 0.72 H new ATOM 0 HA LEU A 79 -4.056 6.276 -3.748 1.00 0.85 H new ATOM 0 HB2 LEU A 79 -3.020 4.053 -3.553 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -2.941 4.212 -1.809 1.00 1.04 H new ATOM 0 HG LEU A 79 -5.374 4.233 -1.655 1.00 0.85 H new ATOM 0 HD11 LEU A 79 -6.817 3.732 -3.596 1.00 1.59 H new ATOM 0 HD12 LEU A 79 -5.978 5.293 -3.766 1.00 1.59 H new ATOM 0 HD13 LEU A 79 -5.405 3.871 -4.670 1.00 1.59 H new ATOM 0 HD21 LEU A 79 -5.780 1.871 -2.395 1.00 1.62 H new ATOM 0 HD22 LEU A 79 -4.300 1.944 -3.380 1.00 1.62 H new ATOM 0 HD23 LEU A 79 -4.195 2.053 -1.607 1.00 1.62 H new ATOM 1292 N CYS A 80 -3.661 7.042 -0.572 1.00 0.77 N ATOM 1293 CA CYS A 80 -4.251 7.937 0.431 1.00 0.82 C ATOM 1294 C CYS A 80 -4.516 9.342 -0.148 1.00 0.90 C ATOM 1295 O CYS A 80 -5.606 9.879 0.003 1.00 1.09 O ATOM 1296 CB CYS A 80 -3.323 7.952 1.656 1.00 0.81 C ATOM 1297 SG CYS A 80 -3.995 9.048 2.932 1.00 1.07 S ATOM 0 H CYS A 80 -2.725 6.713 -0.336 1.00 0.77 H new ATOM 0 HA CYS A 80 -5.231 7.572 0.738 1.00 0.82 H new ATOM 0 HB2 CYS A 80 -3.215 6.942 2.053 1.00 0.81 H new ATOM 0 HB3 CYS A 80 -2.328 8.288 1.364 1.00 0.81 H new ATOM 0 HG CYS A 80 -3.203 9.051 3.963 1.00 1.07 H new ATOM 1303 N MET A 81 -3.554 9.940 -0.859 1.00 0.83 N ATOM 1304 CA MET A 81 -3.704 11.291 -1.421 1.00 0.89 C ATOM 1305 C MET A 81 -4.636 11.348 -2.646 1.00 1.07 C ATOM 1306 O MET A 81 -5.084 12.427 -3.029 1.00 1.23 O ATOM 1307 CB MET A 81 -2.321 11.896 -1.691 1.00 0.93 C ATOM 1308 CG MET A 81 -2.362 13.401 -1.393 1.00 2.02 C ATOM 1309 SD MET A 81 -1.020 14.351 -2.135 1.00 3.04 S ATOM 1310 CE MET A 81 -1.598 14.250 -3.842 1.00 3.69 C ATOM 0 H MET A 81 -2.653 9.506 -1.062 1.00 0.83 H new ATOM 0 HA MET A 81 -4.208 11.907 -0.676 1.00 0.89 H new ATOM 0 HB2 MET A 81 -1.570 11.410 -1.068 1.00 0.93 H new ATOM 0 HB3 MET A 81 -2.033 11.726 -2.728 1.00 0.93 H new ATOM 0 HG2 MET A 81 -3.312 13.802 -1.746 1.00 2.02 H new ATOM 0 HG3 MET A 81 -2.337 13.545 -0.313 1.00 2.02 H new ATOM 0 HE1 MET A 81 -0.842 13.757 -4.453 1.00 3.69 H new ATOM 0 HE2 MET A 81 -2.525 13.678 -3.879 1.00 3.69 H new ATOM 0 HE3 MET A 81 -1.776 15.254 -4.226 1.00 3.69 H new ATOM 1320 N ALA A 82 -4.954 10.196 -3.242 1.00 1.14 N ATOM 1321 CA ALA A 82 -5.936 10.053 -4.310 1.00 1.35 C ATOM 1322 C ALA A 82 -7.391 10.329 -3.871 1.00 1.46 C ATOM 1323 O ALA A 82 -8.254 10.436 -4.737 1.00 1.74 O ATOM 1324 CB ALA A 82 -5.781 8.661 -4.939 1.00 1.35 C ATOM 0 H ALA A 82 -4.519 9.311 -2.983 1.00 1.14 H new ATOM 0 HA ALA A 82 -5.731 10.824 -5.053 1.00 1.35 H new ATOM 0 HB1 ALA A 82 -6.510 8.540 -5.740 1.00 1.35 H new ATOM 0 HB2 ALA A 82 -4.775 8.555 -5.345 1.00 1.35 H new ATOM 0 HB3 ALA A 82 -5.948 7.898 -4.179 1.00 1.35 H new ATOM 1330 N TYR A 83 -7.658 10.442 -2.562 1.00 1.34 N ATOM 1331 CA TYR A 83 -8.950 10.781 -1.937 1.00 1.49 C ATOM 1332 C TYR A 83 -8.789 10.938 -0.403 1.00 1.44 C ATOM 1333 O TYR A 83 -8.653 9.942 0.301 1.00 2.59 O ATOM 1334 CB TYR A 83 -10.050 9.749 -2.298 1.00 2.00 C ATOM 1335 CG TYR A 83 -9.862 8.350 -1.725 1.00 2.13 C ATOM 1336 CD1 TYR A 83 -8.843 7.503 -2.207 1.00 3.28 C ATOM 1337 CD2 TYR A 83 -10.637 7.944 -0.620 1.00 2.39 C ATOM 1338 CE1 TYR A 83 -8.571 6.279 -1.568 1.00 3.40 C ATOM 1339 CE2 TYR A 83 -10.370 6.724 0.026 1.00 2.67 C ATOM 1340 CZ TYR A 83 -9.342 5.882 -0.454 1.00 2.61 C ATOM 1341 OH TYR A 83 -9.090 4.687 0.144 1.00 3.00 O ATOM 0 H TYR A 83 -6.931 10.289 -1.863 1.00 1.34 H new ATOM 0 HA TYR A 83 -9.277 11.740 -2.339 1.00 1.49 H new ATOM 0 HB2 TYR A 83 -11.010 10.135 -1.956 1.00 2.00 H new ATOM 0 HB3 TYR A 83 -10.107 9.672 -3.384 1.00 2.00 H new ATOM 0 HD1 TYR A 83 -8.267 7.796 -3.073 1.00 3.28 H new ATOM 0 HD2 TYR A 83 -11.441 8.574 -0.267 1.00 2.39 H new ATOM 0 HE1 TYR A 83 -7.775 5.645 -1.929 1.00 3.40 H new ATOM 0 HE2 TYR A 83 -10.950 6.431 0.888 1.00 2.67 H new ATOM 0 HH TYR A 83 -9.000 4.818 1.111 1.00 3.00 H new ATOM 1351 N ASN A 84 -8.814 12.160 0.143 1.00 1.38 N ATOM 1352 CA ASN A 84 -8.610 12.357 1.588 1.00 1.37 C ATOM 1353 C ASN A 84 -9.186 13.642 2.193 1.00 1.45 C ATOM 1354 O ASN A 84 -8.558 14.302 3.023 1.00 1.81 O ATOM 1355 CB ASN A 84 -7.138 12.135 1.965 1.00 1.53 C ATOM 1356 CG ASN A 84 -6.143 13.146 1.394 1.00 2.59 C ATOM 1357 OD1 ASN A 84 -6.478 14.157 0.789 1.00 3.98 O ATOM 1358 ND2 ASN A 84 -4.863 12.887 1.597 1.00 2.89 N ATOM 0 H ASN A 84 -8.971 13.019 -0.384 1.00 1.38 H new ATOM 0 HA ASN A 84 -9.221 11.586 2.057 1.00 1.37 H new ATOM 0 HB2 ASN A 84 -7.056 12.147 3.052 1.00 1.53 H new ATOM 0 HB3 ASN A 84 -6.844 11.139 1.634 1.00 1.53 H new ATOM 0 HD21 ASN A 84 -4.151 13.530 1.250 1.00 2.89 H new ATOM 0 HD22 ASN A 84 -4.587 12.044 2.101 1.00 2.89 H new ATOM 1365 N ASP A 85 -10.439 13.930 1.851 1.00 1.72 N ATOM 1366 CA ASP A 85 -11.223 15.055 2.356 1.00 2.06 C ATOM 1367 C ASP A 85 -11.285 15.145 3.892 1.00 2.22 C ATOM 1368 O ASP A 85 -11.287 16.243 4.441 1.00 2.45 O ATOM 1369 CB ASP A 85 -12.636 14.970 1.749 1.00 2.81 C ATOM 1370 CG ASP A 85 -13.341 13.638 2.059 1.00 4.07 C ATOM 1371 OD1 ASP A 85 -12.897 12.610 1.487 1.00 4.49 O ATOM 1372 OD2 ASP A 85 -14.280 13.641 2.884 1.00 5.39 O ATOM 0 H ASP A 85 -10.960 13.360 1.184 1.00 1.72 H new ATOM 0 HA ASP A 85 -10.720 15.971 2.048 1.00 2.06 H new ATOM 0 HB2 ASP A 85 -13.240 15.793 2.131 1.00 2.81 H new ATOM 0 HB3 ASP A 85 -12.570 15.098 0.669 1.00 2.81 H new ATOM 1377 N PHE A 86 -11.215 14.001 4.587 1.00 2.40 N ATOM 1378 CA PHE A 86 -11.140 13.910 6.050 1.00 2.90 C ATOM 1379 C PHE A 86 -9.913 14.596 6.686 1.00 2.92 C ATOM 1380 O PHE A 86 -9.883 14.744 7.908 1.00 3.51 O ATOM 1381 CB PHE A 86 -11.200 12.426 6.451 1.00 3.19 C ATOM 1382 CG PHE A 86 -12.595 11.826 6.407 1.00 3.61 C ATOM 1383 CD1 PHE A 86 -13.157 11.411 5.187 1.00 4.04 C ATOM 1384 CD2 PHE A 86 -13.343 11.696 7.597 1.00 4.64 C ATOM 1385 CE1 PHE A 86 -14.455 10.873 5.152 1.00 4.72 C ATOM 1386 CE2 PHE A 86 -14.641 11.158 7.562 1.00 5.30 C ATOM 1387 CZ PHE A 86 -15.197 10.743 6.339 1.00 5.06 C ATOM 0 H PHE A 86 -11.209 13.088 4.133 1.00 2.40 H new ATOM 0 HA PHE A 86 -11.993 14.464 6.442 1.00 2.90 H new ATOM 0 HB2 PHE A 86 -10.550 11.855 5.788 1.00 3.19 H new ATOM 0 HB3 PHE A 86 -10.801 12.317 7.460 1.00 3.19 H new ATOM 0 HD1 PHE A 86 -12.589 11.506 4.273 1.00 4.04 H new ATOM 0 HD2 PHE A 86 -12.916 12.011 8.538 1.00 4.64 H new ATOM 0 HE1 PHE A 86 -14.883 10.559 4.212 1.00 4.72 H new ATOM 0 HE2 PHE A 86 -15.211 11.063 8.474 1.00 5.30 H new ATOM 0 HZ PHE A 86 -16.192 10.325 6.312 1.00 5.06 H new ATOM 1397 N PHE A 87 -8.902 15.011 5.909 1.00 2.45 N ATOM 1398 CA PHE A 87 -7.723 15.739 6.410 1.00 2.67 C ATOM 1399 C PHE A 87 -7.657 17.192 5.913 1.00 2.60 C ATOM 1400 O PHE A 87 -6.699 17.895 6.237 1.00 2.91 O ATOM 1401 CB PHE A 87 -6.428 14.988 6.043 1.00 2.62 C ATOM 1402 CG PHE A 87 -6.452 13.482 6.221 1.00 2.97 C ATOM 1403 CD1 PHE A 87 -7.109 12.871 7.309 1.00 3.76 C ATOM 1404 CD2 PHE A 87 -5.868 12.676 5.230 1.00 3.87 C ATOM 1405 CE1 PHE A 87 -7.272 11.476 7.345 1.00 4.24 C ATOM 1406 CE2 PHE A 87 -6.034 11.283 5.261 1.00 4.43 C ATOM 1407 CZ PHE A 87 -6.760 10.682 6.304 1.00 4.19 C ATOM 0 H PHE A 87 -8.878 14.849 4.902 1.00 2.45 H new ATOM 0 HA PHE A 87 -7.823 15.782 7.495 1.00 2.67 H new ATOM 0 HB2 PHE A 87 -6.189 15.206 5.002 1.00 2.62 H new ATOM 0 HB3 PHE A 87 -5.615 15.391 6.647 1.00 2.62 H new ATOM 0 HD1 PHE A 87 -7.488 13.478 8.118 1.00 3.76 H new ATOM 0 HD2 PHE A 87 -5.288 13.131 4.440 1.00 3.87 H new ATOM 0 HE1 PHE A 87 -7.790 11.014 8.172 1.00 4.24 H new ATOM 0 HE2 PHE A 87 -5.603 10.671 4.482 1.00 4.43 H new ATOM 0 HZ PHE A 87 -6.924 9.614 6.306 1.00 4.19 H new ATOM 1417 N LEU A 88 -8.621 17.656 5.109 1.00 2.34 N ATOM 1418 CA LEU A 88 -8.717 19.041 4.648 1.00 2.42 C ATOM 1419 C LEU A 88 -9.592 19.897 5.588 1.00 3.18 C ATOM 1420 O LEU A 88 -9.966 19.473 6.676 1.00 3.85 O ATOM 1421 CB LEU A 88 -9.184 19.029 3.175 1.00 2.00 C ATOM 1422 CG LEU A 88 -8.081 18.726 2.137 1.00 2.02 C ATOM 1423 CD1 LEU A 88 -6.890 19.697 2.208 1.00 2.50 C ATOM 1424 CD2 LEU A 88 -7.546 17.297 2.181 1.00 3.21 C ATOM 0 H LEU A 88 -9.372 17.063 4.754 1.00 2.34 H new ATOM 0 HA LEU A 88 -7.742 19.526 4.683 1.00 2.42 H new ATOM 0 HB2 LEU A 88 -9.975 18.287 3.068 1.00 2.00 H new ATOM 0 HB3 LEU A 88 -9.623 19.999 2.942 1.00 2.00 H new ATOM 0 HG LEU A 88 -8.602 18.864 1.189 1.00 2.02 H new ATOM 0 HD11 LEU A 88 -6.154 19.426 1.452 1.00 2.50 H new ATOM 0 HD12 LEU A 88 -7.238 20.714 2.027 1.00 2.50 H new ATOM 0 HD13 LEU A 88 -6.433 19.641 3.196 1.00 2.50 H new ATOM 0 HD21 LEU A 88 -6.776 17.173 1.419 1.00 3.21 H new ATOM 0 HD22 LEU A 88 -7.119 17.098 3.164 1.00 3.21 H new ATOM 0 HD23 LEU A 88 -8.360 16.598 1.991 1.00 3.21 H new ATOM 1436 N GLU A 89 -9.851 21.142 5.179 1.00 3.37 N ATOM 1437 CA GLU A 89 -10.561 22.185 5.944 1.00 4.22 C ATOM 1438 C GLU A 89 -11.845 22.649 5.220 1.00 4.34 C ATOM 1439 O GLU A 89 -12.412 23.699 5.518 1.00 4.79 O ATOM 1440 CB GLU A 89 -9.605 23.381 6.111 1.00 4.66 C ATOM 1441 CG GLU A 89 -9.690 24.037 7.497 1.00 5.38 C ATOM 1442 CD GLU A 89 -8.787 23.341 8.522 1.00 6.21 C ATOM 1443 OE1 GLU A 89 -9.234 22.389 9.199 1.00 7.21 O ATOM 1444 OE2 GLU A 89 -7.579 23.675 8.581 1.00 6.26 O ATOM 0 H GLU A 89 -9.559 21.472 4.259 1.00 3.37 H new ATOM 0 HA GLU A 89 -10.859 21.778 6.910 1.00 4.22 H new ATOM 0 HB2 GLU A 89 -8.582 23.047 5.937 1.00 4.66 H new ATOM 0 HB3 GLU A 89 -9.831 24.127 5.349 1.00 4.66 H new ATOM 0 HG2 GLU A 89 -9.406 25.087 7.419 1.00 5.38 H new ATOM 0 HG3 GLU A 89 -10.722 24.011 7.847 1.00 5.38 H new ATOM 1451 N ASP A 90 -12.224 21.906 4.177 1.00 4.21 N ATOM 1452 CA ASP A 90 -12.904 22.394 2.967 1.00 4.29 C ATOM 1453 C ASP A 90 -13.380 21.199 2.105 1.00 4.96 C ATOM 1454 O ASP A 90 -14.577 20.927 2.049 1.00 5.98 O ATOM 1455 CB ASP A 90 -11.911 23.353 2.256 1.00 4.15 C ATOM 1456 CG ASP A 90 -12.271 23.859 0.854 1.00 4.51 C ATOM 1457 OD1 ASP A 90 -12.858 23.099 0.057 1.00 4.89 O ATOM 1458 OD2 ASP A 90 -11.763 24.950 0.491 1.00 5.11 O ATOM 0 H ASP A 90 -12.059 20.900 4.149 1.00 4.21 H new ATOM 0 HA ASP A 90 -13.815 22.951 3.187 1.00 4.29 H new ATOM 0 HB2 ASP A 90 -11.770 24.223 2.898 1.00 4.15 H new ATOM 0 HB3 ASP A 90 -10.948 22.846 2.190 1.00 4.15 H new ATOM 1463 N ASN A 91 -12.429 20.484 1.480 1.00 5.23 N ATOM 1464 CA ASN A 91 -12.572 19.387 0.489 1.00 6.29 C ATOM 1465 C ASN A 91 -11.238 19.207 -0.263 1.00 6.29 C ATOM 1466 O ASN A 91 -10.757 18.095 -0.469 1.00 7.77 O ATOM 1467 CB ASN A 91 -13.734 19.662 -0.499 1.00 6.83 C ATOM 1468 CG ASN A 91 -13.745 18.772 -1.743 1.00 7.69 C ATOM 1469 OD1 ASN A 91 -14.480 17.802 -1.844 1.00 9.01 O ATOM 1470 ND2 ASN A 91 -12.945 19.079 -2.752 1.00 7.43 N ATOM 0 H ASN A 91 -11.445 20.672 1.669 1.00 5.23 H new ATOM 0 HA ASN A 91 -12.816 18.465 1.017 1.00 6.29 H new ATOM 0 HB2 ASN A 91 -14.679 19.535 0.029 1.00 6.83 H new ATOM 0 HB3 ASN A 91 -13.684 20.704 -0.816 1.00 6.83 H new ATOM 0 HD21 ASN A 91 -12.949 18.509 -3.598 1.00 7.43 H new ATOM 0 HD22 ASN A 91 -12.325 19.886 -2.684 1.00 7.43 H new ATOM 1477 N LYS A 92 -10.639 20.345 -0.641 1.00 5.06 N ATOM 1478 CA LYS A 92 -9.263 20.517 -1.151 1.00 5.28 C ATOM 1479 C LYS A 92 -8.461 21.489 -0.275 1.00 5.54 C ATOM 1480 O LYS A 92 -8.998 21.890 0.780 1.00 6.36 O ATOM 1481 CB LYS A 92 -9.263 20.937 -2.643 1.00 5.39 C ATOM 1482 CG LYS A 92 -10.225 22.052 -3.113 1.00 5.50 C ATOM 1483 CD LYS A 92 -10.454 23.243 -2.170 1.00 5.39 C ATOM 1484 CE LYS A 92 -9.219 24.083 -1.817 1.00 5.62 C ATOM 1485 NZ LYS A 92 -9.217 24.406 -0.366 1.00 6.06 N ATOM 1486 OXT LYS A 92 -7.397 21.969 -0.718 1.00 5.60 O ATOM 0 H LYS A 92 -11.135 21.235 -0.597 1.00 5.06 H new ATOM 0 HA LYS A 92 -8.762 19.551 -1.094 1.00 5.28 H new ATOM 0 HB2 LYS A 92 -8.250 21.250 -2.896 1.00 5.39 H new ATOM 0 HB3 LYS A 92 -9.479 20.047 -3.234 1.00 5.39 H new ATOM 0 HG2 LYS A 92 -9.850 22.441 -4.060 1.00 5.50 H new ATOM 0 HG3 LYS A 92 -11.193 21.595 -3.317 1.00 5.50 H new ATOM 0 HD2 LYS A 92 -11.195 23.900 -2.624 1.00 5.39 H new ATOM 0 HD3 LYS A 92 -10.887 22.866 -1.243 1.00 5.39 H new ATOM 0 HE2 LYS A 92 -8.312 23.537 -2.077 1.00 5.62 H new ATOM 0 HE3 LYS A 92 -9.216 25.003 -2.402 1.00 5.62 H new ATOM 0 HZ1 LYS A 92 -8.351 24.931 -0.128 1.00 6.06 H new ATOM 0 HZ2 LYS A 92 -10.048 24.988 -0.139 1.00 6.06 H new ATOM 0 HZ3 LYS A 92 -9.250 23.525 0.186 1.00 6.06 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -11.720 1.062 7.384 1.00 4.49 N ATOM 1502 CA MET B 1 -11.195 1.085 8.760 1.00 3.46 C ATOM 1503 C MET B 1 -10.692 -0.316 9.065 1.00 3.08 C ATOM 1504 O MET B 1 -9.971 -0.851 8.232 1.00 4.44 O ATOM 1505 CB MET B 1 -12.171 1.668 9.788 1.00 4.05 C ATOM 1506 CG MET B 1 -12.479 3.155 9.582 1.00 5.02 C ATOM 1507 SD MET B 1 -11.099 4.275 9.932 1.00 6.10 S ATOM 1508 CE MET B 1 -11.004 5.181 8.360 1.00 7.46 C ATOM 0 H1 MET B 1 -12.532 1.708 7.311 1.00 4.49 H new ATOM 0 H2 MET B 1 -10.976 1.366 6.724 1.00 4.49 H new ATOM 0 H3 MET B 1 -12.023 0.096 7.144 1.00 4.49 H new ATOM 0 HA MET B 1 -10.363 1.785 8.839 1.00 3.46 H new ATOM 0 HB2 MET B 1 -13.104 1.105 9.748 1.00 4.05 H new ATOM 0 HB3 MET B 1 -11.757 1.528 10.787 1.00 4.05 H new ATOM 0 HG2 MET B 1 -12.798 3.306 8.551 1.00 5.02 H new ATOM 0 HG3 MET B 1 -13.320 3.428 10.219 1.00 5.02 H new ATOM 0 HE1 MET B 1 -10.199 5.914 8.411 1.00 7.46 H new ATOM 0 HE2 MET B 1 -10.807 4.481 7.548 1.00 7.46 H new ATOM 0 HE3 MET B 1 -11.949 5.692 8.177 1.00 7.46 H new ATOM 1517 N GLU B 2 -11.062 -0.919 10.202 1.00 2.22 N ATOM 1518 CA GLU B 2 -10.890 -2.344 10.522 1.00 2.68 C ATOM 1519 C GLU B 2 -9.458 -2.710 10.938 1.00 2.09 C ATOM 1520 O GLU B 2 -9.266 -3.374 11.955 1.00 2.49 O ATOM 1521 CB GLU B 2 -11.376 -3.267 9.375 1.00 4.02 C ATOM 1522 CG GLU B 2 -12.871 -3.176 9.032 1.00 4.89 C ATOM 1523 CD GLU B 2 -13.366 -1.778 8.640 1.00 5.08 C ATOM 1524 OE1 GLU B 2 -13.150 -1.325 7.489 1.00 5.86 O ATOM 1525 OE2 GLU B 2 -13.814 -1.064 9.559 1.00 4.99 O ATOM 0 H GLU B 2 -11.510 -0.404 10.960 1.00 2.22 H new ATOM 0 HA GLU B 2 -11.526 -2.515 11.391 1.00 2.68 H new ATOM 0 HB2 GLU B 2 -10.802 -3.034 8.478 1.00 4.02 H new ATOM 0 HB3 GLU B 2 -11.146 -4.298 9.642 1.00 4.02 H new ATOM 0 HG2 GLU B 2 -13.082 -3.862 8.212 1.00 4.89 H new ATOM 0 HG3 GLU B 2 -13.446 -3.520 9.891 1.00 4.89 H new ATOM 1532 N THR B 3 -8.472 -2.299 10.143 1.00 1.59 N ATOM 1533 CA THR B 3 -7.115 -2.886 10.151 1.00 1.57 C ATOM 1534 C THR B 3 -6.004 -1.948 10.630 1.00 1.17 C ATOM 1535 O THR B 3 -6.193 -0.730 10.687 1.00 0.97 O ATOM 1536 CB THR B 3 -6.790 -3.476 8.775 1.00 1.99 C ATOM 1537 OG1 THR B 3 -6.946 -2.493 7.790 1.00 1.62 O ATOM 1538 CG2 THR B 3 -7.708 -4.673 8.511 1.00 3.12 C ATOM 0 H THR B 3 -8.584 -1.544 9.466 1.00 1.59 H new ATOM 0 HA THR B 3 -7.140 -3.678 10.900 1.00 1.57 H new ATOM 0 HB THR B 3 -5.755 -3.818 8.750 1.00 1.99 H new ATOM 0 HG1 THR B 3 -6.243 -2.592 7.115 1.00 1.62 H new ATOM 0 HG21 THR B 3 -7.481 -5.097 7.533 1.00 3.12 H new ATOM 0 HG22 THR B 3 -7.550 -5.429 9.280 1.00 3.12 H new ATOM 0 HG23 THR B 3 -8.748 -4.346 8.532 1.00 3.12 H new ATOM 1546 N PRO B 4 -4.833 -2.504 11.017 1.00 1.44 N ATOM 1547 CA PRO B 4 -3.754 -1.722 11.607 1.00 1.50 C ATOM 1548 C PRO B 4 -2.948 -0.909 10.590 1.00 1.29 C ATOM 1549 O PRO B 4 -2.467 0.145 10.974 1.00 1.36 O ATOM 1550 CB PRO B 4 -2.866 -2.721 12.353 1.00 2.12 C ATOM 1551 CG PRO B 4 -3.062 -4.016 11.574 1.00 2.30 C ATOM 1552 CD PRO B 4 -4.534 -3.929 11.176 1.00 1.99 C ATOM 0 HA PRO B 4 -4.173 -0.968 12.273 1.00 1.50 H new ATOM 0 HB2 PRO B 4 -1.822 -2.407 12.355 1.00 2.12 H new ATOM 0 HB3 PRO B 4 -3.169 -2.829 13.395 1.00 2.12 H new ATOM 0 HG2 PRO B 4 -2.407 -4.072 10.704 1.00 2.30 H new ATOM 0 HG3 PRO B 4 -2.856 -4.895 12.185 1.00 2.30 H new ATOM 0 HD2 PRO B 4 -4.719 -4.471 10.248 1.00 1.99 H new ATOM 0 HD3 PRO B 4 -5.170 -4.377 11.939 1.00 1.99 H new ATOM 1560 N LEU B 5 -2.783 -1.336 9.327 1.00 1.19 N ATOM 1561 CA LEU B 5 -1.995 -0.580 8.335 1.00 1.04 C ATOM 1562 C LEU B 5 -2.781 0.626 7.788 1.00 0.71 C ATOM 1563 O LEU B 5 -2.247 1.737 7.807 1.00 0.80 O ATOM 1564 CB LEU B 5 -1.449 -1.558 7.280 1.00 1.38 C ATOM 1565 CG LEU B 5 -0.776 -0.905 6.055 1.00 1.14 C ATOM 1566 CD1 LEU B 5 0.501 -0.155 6.463 1.00 1.88 C ATOM 1567 CD2 LEU B 5 -0.410 -1.992 5.038 1.00 1.87 C ATOM 0 H LEU B 5 -3.185 -2.202 8.967 1.00 1.19 H new ATOM 0 HA LEU B 5 -1.124 -0.119 8.800 1.00 1.04 H new ATOM 0 HB2 LEU B 5 -0.727 -2.218 7.761 1.00 1.38 H new ATOM 0 HB3 LEU B 5 -2.270 -2.184 6.931 1.00 1.38 H new ATOM 0 HG LEU B 5 -1.476 -0.193 5.617 1.00 1.14 H new ATOM 0 HD11 LEU B 5 0.956 0.296 5.581 1.00 1.88 H new ATOM 0 HD12 LEU B 5 0.251 0.626 7.181 1.00 1.88 H new ATOM 0 HD13 LEU B 5 1.204 -0.854 6.917 1.00 1.88 H new ATOM 0 HD21 LEU B 5 0.066 -1.534 4.171 1.00 1.87 H new ATOM 0 HD22 LEU B 5 0.278 -2.702 5.496 1.00 1.87 H new ATOM 0 HD23 LEU B 5 -1.313 -2.514 4.722 1.00 1.87 H new ATOM 1579 N GLU B 6 -4.082 0.458 7.520 1.00 0.78 N ATOM 1580 CA GLU B 6 -5.088 1.537 7.578 1.00 0.91 C ATOM 1581 C GLU B 6 -4.816 2.510 8.753 1.00 0.93 C ATOM 1582 O GLU B 6 -4.778 3.738 8.594 1.00 1.14 O ATOM 1583 CB GLU B 6 -6.469 0.841 7.705 1.00 1.35 C ATOM 1584 CG GLU B 6 -7.576 1.546 8.490 1.00 1.85 C ATOM 1585 CD GLU B 6 -8.305 2.666 7.766 1.00 2.36 C ATOM 1586 OE1 GLU B 6 -9.257 2.375 7.005 1.00 3.46 O ATOM 1587 OE2 GLU B 6 -8.083 3.813 8.203 1.00 2.76 O ATOM 0 H GLU B 6 -4.476 -0.444 7.252 1.00 0.78 H new ATOM 0 HA GLU B 6 -5.051 2.155 6.681 1.00 0.91 H new ATOM 0 HB2 GLU B 6 -6.842 0.660 6.697 1.00 1.35 H new ATOM 0 HB3 GLU B 6 -6.307 -0.134 8.165 1.00 1.35 H new ATOM 0 HG2 GLU B 6 -8.310 0.799 8.792 1.00 1.85 H new ATOM 0 HG3 GLU B 6 -7.142 1.954 9.403 1.00 1.85 H new ATOM 1594 N LYS B 7 -4.559 1.987 9.962 1.00 0.85 N ATOM 1595 CA LYS B 7 -4.306 2.827 11.138 1.00 1.05 C ATOM 1596 C LYS B 7 -2.893 3.429 11.184 1.00 1.02 C ATOM 1597 O LYS B 7 -2.739 4.519 11.727 1.00 1.31 O ATOM 1598 CB LYS B 7 -4.700 2.077 12.428 1.00 1.29 C ATOM 1599 CG LYS B 7 -5.859 2.733 13.209 1.00 2.01 C ATOM 1600 CD LYS B 7 -7.130 2.950 12.363 1.00 2.60 C ATOM 1601 CE LYS B 7 -7.292 4.427 11.971 1.00 3.80 C ATOM 1602 NZ LYS B 7 -8.078 4.637 10.728 1.00 4.77 N ATOM 0 H LYS B 7 -4.521 0.985 10.149 1.00 0.85 H new ATOM 0 HA LYS B 7 -4.951 3.702 11.054 1.00 1.05 H new ATOM 0 HB2 LYS B 7 -4.982 1.056 12.170 1.00 1.29 H new ATOM 0 HB3 LYS B 7 -3.828 2.013 13.079 1.00 1.29 H new ATOM 0 HG2 LYS B 7 -6.107 2.109 14.067 1.00 2.01 H new ATOM 0 HG3 LYS B 7 -5.524 3.694 13.600 1.00 2.01 H new ATOM 0 HD2 LYS B 7 -7.081 2.336 11.464 1.00 2.60 H new ATOM 0 HD3 LYS B 7 -8.004 2.622 12.925 1.00 2.60 H new ATOM 0 HE2 LYS B 7 -7.776 4.959 12.790 1.00 3.80 H new ATOM 0 HE3 LYS B 7 -6.304 4.869 11.844 1.00 3.80 H new ATOM 0 HZ1 LYS B 7 -7.909 5.598 10.369 1.00 4.77 H new ATOM 0 HZ2 LYS B 7 -7.785 3.943 10.011 1.00 4.77 H new ATOM 0 HZ3 LYS B 7 -9.090 4.517 10.933 1.00 4.77 H new ATOM 1616 N ALA B 8 -1.895 2.810 10.554 1.00 0.83 N ATOM 1617 CA ALA B 8 -0.536 3.321 10.394 1.00 0.85 C ATOM 1618 C ALA B 8 -0.477 4.498 9.416 1.00 0.62 C ATOM 1619 O ALA B 8 0.157 5.508 9.718 1.00 0.60 O ATOM 1620 CB ALA B 8 0.335 2.168 9.909 1.00 1.08 C ATOM 0 H ALA B 8 -2.019 1.895 10.121 1.00 0.83 H new ATOM 0 HA ALA B 8 -0.175 3.702 11.349 1.00 0.85 H new ATOM 0 HB1 ALA B 8 1.360 2.516 9.779 1.00 1.08 H new ATOM 0 HB2 ALA B 8 0.316 1.363 10.644 1.00 1.08 H new ATOM 0 HB3 ALA B 8 -0.047 1.799 8.957 1.00 1.08 H new ATOM 1626 N LEU B 9 -1.204 4.425 8.298 1.00 0.59 N ATOM 1627 CA LEU B 9 -1.421 5.574 7.414 1.00 0.59 C ATOM 1628 C LEU B 9 -2.165 6.687 8.156 1.00 0.57 C ATOM 1629 O LEU B 9 -1.765 7.853 8.054 1.00 0.60 O ATOM 1630 CB LEU B 9 -2.156 5.117 6.133 1.00 0.72 C ATOM 1631 CG LEU B 9 -1.233 4.679 4.977 1.00 0.75 C ATOM 1632 CD1 LEU B 9 -0.493 5.881 4.363 1.00 0.66 C ATOM 1633 CD2 LEU B 9 -0.223 3.604 5.409 1.00 1.05 C ATOM 0 H LEU B 9 -1.658 3.569 7.980 1.00 0.59 H new ATOM 0 HA LEU B 9 -0.461 5.990 7.108 1.00 0.59 H new ATOM 0 HB2 LEU B 9 -2.816 4.287 6.386 1.00 0.72 H new ATOM 0 HB3 LEU B 9 -2.789 5.933 5.784 1.00 0.72 H new ATOM 0 HG LEU B 9 -1.881 4.240 4.218 1.00 0.75 H new ATOM 0 HD11 LEU B 9 0.149 5.537 3.552 1.00 0.66 H new ATOM 0 HD12 LEU B 9 -1.219 6.595 3.974 1.00 0.66 H new ATOM 0 HD13 LEU B 9 0.116 6.363 5.128 1.00 0.66 H new ATOM 0 HD21 LEU B 9 0.403 3.330 4.559 1.00 1.05 H new ATOM 0 HD22 LEU B 9 0.404 3.995 6.210 1.00 1.05 H new ATOM 0 HD23 LEU B 9 -0.758 2.723 5.764 1.00 1.05 H new ATOM 1645 N THR B 10 -3.149 6.330 9.002 1.00 0.59 N ATOM 1646 CA THR B 10 -3.780 7.289 9.922 1.00 0.59 C ATOM 1647 C THR B 10 -2.763 7.929 10.877 1.00 0.56 C ATOM 1648 O THR B 10 -2.798 9.148 11.035 1.00 0.57 O ATOM 1649 CB THR B 10 -4.962 6.677 10.668 1.00 0.72 C ATOM 1650 OG1 THR B 10 -5.908 6.214 9.734 1.00 1.16 O ATOM 1651 CG2 THR B 10 -5.670 7.711 11.544 1.00 1.10 C ATOM 0 H THR B 10 -3.523 5.383 9.066 1.00 0.59 H new ATOM 0 HA THR B 10 -4.181 8.094 9.307 1.00 0.59 H new ATOM 0 HB THR B 10 -4.574 5.872 11.292 1.00 0.72 H new ATOM 0 HG1 THR B 10 -5.574 5.397 9.308 1.00 1.16 H new ATOM 0 HG21 THR B 10 -6.506 7.239 12.060 1.00 1.10 H new ATOM 0 HG22 THR B 10 -4.968 8.108 12.278 1.00 1.10 H new ATOM 0 HG23 THR B 10 -6.041 8.524 10.920 1.00 1.10 H new ATOM 1659 N THR B 11 -1.812 7.184 11.459 1.00 0.55 N ATOM 1660 CA THR B 11 -0.717 7.743 12.281 1.00 0.55 C ATOM 1661 C THR B 11 0.113 8.742 11.481 1.00 0.54 C ATOM 1662 O THR B 11 0.365 9.848 11.962 1.00 0.57 O ATOM 1663 CB THR B 11 0.208 6.636 12.799 1.00 0.62 C ATOM 1664 OG1 THR B 11 -0.518 5.546 13.307 1.00 0.87 O ATOM 1665 CG2 THR B 11 1.134 7.129 13.904 1.00 0.66 C ATOM 0 H THR B 11 -1.777 6.168 11.375 1.00 0.55 H new ATOM 0 HA THR B 11 -1.181 8.250 13.127 1.00 0.55 H new ATOM 0 HB THR B 11 0.798 6.325 11.937 1.00 0.62 H new ATOM 0 HG1 THR B 11 0.104 4.859 13.627 1.00 0.87 H new ATOM 0 HG21 THR B 11 1.770 6.309 14.239 1.00 0.66 H new ATOM 0 HG22 THR B 11 1.756 7.939 13.523 1.00 0.66 H new ATOM 0 HG23 THR B 11 0.539 7.492 14.742 1.00 0.66 H new ATOM 1673 N MET B 12 0.500 8.384 10.251 1.00 0.54 N ATOM 1674 CA MET B 12 1.321 9.235 9.376 1.00 0.56 C ATOM 1675 C MET B 12 0.628 10.561 9.049 1.00 0.59 C ATOM 1676 O MET B 12 1.252 11.609 9.210 1.00 0.66 O ATOM 1677 CB MET B 12 1.697 8.512 8.076 1.00 0.60 C ATOM 1678 CG MET B 12 2.698 7.382 8.307 1.00 0.72 C ATOM 1679 SD MET B 12 3.215 6.591 6.763 1.00 0.87 S ATOM 1680 CE MET B 12 4.924 6.179 7.188 1.00 0.75 C ATOM 0 H MET B 12 0.251 7.489 9.830 1.00 0.54 H new ATOM 0 HA MET B 12 2.233 9.454 9.931 1.00 0.56 H new ATOM 0 HB2 MET B 12 0.796 8.107 7.615 1.00 0.60 H new ATOM 0 HB3 MET B 12 2.120 9.230 7.373 1.00 0.60 H new ATOM 0 HG2 MET B 12 3.574 7.776 8.821 1.00 0.72 H new ATOM 0 HG3 MET B 12 2.253 6.635 8.964 1.00 0.72 H new ATOM 0 HE1 MET B 12 5.399 5.681 6.343 1.00 0.75 H new ATOM 0 HE2 MET B 12 5.470 7.092 7.425 1.00 0.75 H new ATOM 0 HE3 MET B 12 4.934 5.516 8.053 1.00 0.75 H new ATOM 1690 N VAL B 13 -0.648 10.536 8.652 1.00 0.58 N ATOM 1691 CA VAL B 13 -1.400 11.773 8.342 1.00 0.63 C ATOM 1692 C VAL B 13 -1.683 12.617 9.600 1.00 0.63 C ATOM 1693 O VAL B 13 -1.565 13.843 9.546 1.00 0.67 O ATOM 1694 CB VAL B 13 -2.696 11.529 7.522 1.00 0.69 C ATOM 1695 CG1 VAL B 13 -2.398 10.811 6.192 1.00 0.73 C ATOM 1696 CG2 VAL B 13 -3.736 10.732 8.314 1.00 0.66 C ATOM 0 H VAL B 13 -1.188 9.678 8.535 1.00 0.58 H new ATOM 0 HA VAL B 13 -0.738 12.350 7.696 1.00 0.63 H new ATOM 0 HB VAL B 13 -3.110 12.514 7.306 1.00 0.69 H new ATOM 0 HG11 VAL B 13 -3.328 10.657 5.645 1.00 0.73 H new ATOM 0 HG12 VAL B 13 -1.722 11.421 5.593 1.00 0.73 H new ATOM 0 HG13 VAL B 13 -1.933 9.846 6.395 1.00 0.73 H new ATOM 0 HG21 VAL B 13 -4.626 10.585 7.701 1.00 0.66 H new ATOM 0 HG22 VAL B 13 -3.320 9.762 8.588 1.00 0.66 H new ATOM 0 HG23 VAL B 13 -4.004 11.280 9.217 1.00 0.66 H new ATOM 1706 N THR B 14 -1.968 11.977 10.745 1.00 0.65 N ATOM 1707 CA THR B 14 -2.215 12.649 12.037 1.00 0.70 C ATOM 1708 C THR B 14 -0.963 13.349 12.561 1.00 0.69 C ATOM 1709 O THR B 14 -1.065 14.433 13.127 1.00 0.83 O ATOM 1710 CB THR B 14 -2.726 11.649 13.077 1.00 0.77 C ATOM 1711 OG1 THR B 14 -3.884 11.031 12.576 1.00 1.07 O ATOM 1712 CG2 THR B 14 -3.118 12.305 14.402 1.00 0.95 C ATOM 0 H THR B 14 -2.035 10.961 10.803 1.00 0.65 H new ATOM 0 HA THR B 14 -2.978 13.408 11.864 1.00 0.70 H new ATOM 0 HB THR B 14 -1.912 10.948 13.262 1.00 0.77 H new ATOM 0 HG1 THR B 14 -3.631 10.299 11.975 1.00 1.07 H new ATOM 0 HG21 THR B 14 -3.472 11.542 15.095 1.00 0.95 H new ATOM 0 HG22 THR B 14 -2.251 12.809 14.829 1.00 0.95 H new ATOM 0 HG23 THR B 14 -3.911 13.032 14.227 1.00 0.95 H new ATOM 1720 N THR B 15 0.215 12.756 12.338 1.00 0.64 N ATOM 1721 CA THR B 15 1.521 13.322 12.705 1.00 0.66 C ATOM 1722 C THR B 15 1.875 14.482 11.789 1.00 0.65 C ATOM 1723 O THR B 15 2.169 15.566 12.271 1.00 0.79 O ATOM 1724 CB THR B 15 2.601 12.234 12.681 1.00 0.74 C ATOM 1725 OG1 THR B 15 2.182 11.161 13.495 1.00 1.62 O ATOM 1726 CG2 THR B 15 3.925 12.754 13.234 1.00 1.61 C ATOM 0 H THR B 15 0.290 11.845 11.885 1.00 0.64 H new ATOM 0 HA THR B 15 1.464 13.710 13.722 1.00 0.66 H new ATOM 0 HB THR B 15 2.746 11.921 11.647 1.00 0.74 H new ATOM 0 HG1 THR B 15 1.627 10.548 12.969 1.00 1.62 H new ATOM 0 HG21 THR B 15 4.670 11.959 13.203 1.00 1.61 H new ATOM 0 HG22 THR B 15 4.267 13.594 12.630 1.00 1.61 H new ATOM 0 HG23 THR B 15 3.786 13.081 14.264 1.00 1.61 H new ATOM 1734 N PHE B 16 1.780 14.287 10.474 1.00 0.59 N ATOM 1735 CA PHE B 16 2.052 15.299 9.457 1.00 0.60 C ATOM 1736 C PHE B 16 1.150 16.546 9.587 1.00 0.62 C ATOM 1737 O PHE B 16 1.591 17.671 9.353 1.00 0.74 O ATOM 1738 CB PHE B 16 1.878 14.589 8.112 1.00 0.60 C ATOM 1739 CG PHE B 16 2.319 15.357 6.891 1.00 0.56 C ATOM 1740 CD1 PHE B 16 1.442 16.261 6.277 1.00 1.66 C ATOM 1741 CD2 PHE B 16 3.582 15.112 6.319 1.00 1.61 C ATOM 1742 CE1 PHE B 16 1.827 16.915 5.097 1.00 1.61 C ATOM 1743 CE2 PHE B 16 3.938 15.714 5.105 1.00 1.68 C ATOM 1744 CZ PHE B 16 3.060 16.623 4.491 1.00 0.63 C ATOM 0 H PHE B 16 1.502 13.390 10.076 1.00 0.59 H new ATOM 0 HA PHE B 16 3.060 15.698 9.569 1.00 0.60 H new ATOM 0 HB2 PHE B 16 2.433 13.651 8.146 1.00 0.60 H new ATOM 0 HB3 PHE B 16 0.825 14.333 7.994 1.00 0.60 H new ATOM 0 HD1 PHE B 16 0.472 16.454 6.711 1.00 1.66 H new ATOM 0 HD2 PHE B 16 4.280 14.457 6.819 1.00 1.61 H new ATOM 0 HE1 PHE B 16 1.171 17.648 4.652 1.00 1.61 H new ATOM 0 HE2 PHE B 16 4.885 15.480 4.642 1.00 1.68 H new ATOM 0 HZ PHE B 16 3.332 17.095 3.558 1.00 0.63 H new ATOM 1754 N HIS B 17 -0.109 16.367 10.007 1.00 0.61 N ATOM 1755 CA HIS B 17 -1.070 17.439 10.319 1.00 0.69 C ATOM 1756 C HIS B 17 -0.566 18.426 11.394 1.00 0.64 C ATOM 1757 O HIS B 17 -0.990 19.575 11.413 1.00 0.88 O ATOM 1758 CB HIS B 17 -2.407 16.800 10.724 1.00 0.85 C ATOM 1759 CG HIS B 17 -3.493 17.811 10.988 1.00 1.40 C ATOM 1760 ND1 HIS B 17 -3.878 18.291 12.221 1.00 2.35 N ATOM 1761 CD2 HIS B 17 -4.247 18.465 10.053 1.00 1.53 C ATOM 1762 CE1 HIS B 17 -4.834 19.217 12.030 1.00 2.79 C ATOM 1763 NE2 HIS B 17 -5.100 19.352 10.720 1.00 2.27 N ATOM 0 H HIS B 17 -0.504 15.437 10.145 1.00 0.61 H new ATOM 0 HA HIS B 17 -1.200 18.044 9.422 1.00 0.69 H new ATOM 0 HB2 HIS B 17 -2.733 16.124 9.934 1.00 0.85 H new ATOM 0 HB3 HIS B 17 -2.257 16.196 11.619 1.00 0.85 H new ATOM 0 HD1 HIS B 17 -3.503 17.995 13.122 1.00 2.35 H new ATOM 0 HD2 HIS B 17 -4.193 18.322 8.984 1.00 1.53 H new ATOM 0 HE1 HIS B 17 -5.319 19.774 12.818 1.00 2.79 H new ATOM 1772 N LYS B 18 0.367 18.039 12.268 1.00 0.55 N ATOM 1773 CA LYS B 18 0.920 18.940 13.290 1.00 0.64 C ATOM 1774 C LYS B 18 1.794 20.070 12.705 1.00 0.73 C ATOM 1775 O LYS B 18 2.005 21.081 13.377 1.00 0.93 O ATOM 1776 CB LYS B 18 1.729 18.102 14.290 1.00 0.79 C ATOM 1777 CG LYS B 18 0.931 16.998 15.000 1.00 1.70 C ATOM 1778 CD LYS B 18 1.919 16.100 15.742 1.00 2.60 C ATOM 1779 CE LYS B 18 1.244 14.893 16.401 1.00 4.20 C ATOM 1780 NZ LYS B 18 2.256 14.076 17.111 1.00 4.97 N ATOM 0 H LYS B 18 0.760 17.098 12.290 1.00 0.55 H new ATOM 0 HA LYS B 18 0.084 19.437 13.783 1.00 0.64 H new ATOM 0 HB2 LYS B 18 2.567 17.644 13.764 1.00 0.79 H new ATOM 0 HB3 LYS B 18 2.150 18.768 15.043 1.00 0.79 H new ATOM 0 HG2 LYS B 18 0.216 17.434 15.697 1.00 1.70 H new ATOM 0 HG3 LYS B 18 0.358 16.417 14.277 1.00 1.70 H new ATOM 0 HD2 LYS B 18 2.679 15.749 15.044 1.00 2.60 H new ATOM 0 HD3 LYS B 18 2.432 16.685 16.505 1.00 2.60 H new ATOM 0 HE2 LYS B 18 0.479 15.230 17.101 1.00 4.20 H new ATOM 0 HE3 LYS B 18 0.741 14.289 15.646 1.00 4.20 H new ATOM 0 HZ1 LYS B 18 2.416 13.191 16.589 1.00 4.97 H new ATOM 0 HZ2 LYS B 18 3.148 14.606 17.174 1.00 4.97 H new ATOM 0 HZ3 LYS B 18 1.915 13.857 18.069 1.00 4.97 H new ATOM 1794 N TYR B 19 2.304 19.902 11.478 1.00 0.74 N ATOM 1795 CA TYR B 19 3.242 20.815 10.801 1.00 0.89 C ATOM 1796 C TYR B 19 2.576 21.417 9.551 1.00 1.04 C ATOM 1797 O TYR B 19 2.473 22.630 9.404 1.00 1.75 O ATOM 1798 CB TYR B 19 4.500 19.994 10.455 1.00 0.97 C ATOM 1799 CG TYR B 19 5.164 19.319 11.653 1.00 0.95 C ATOM 1800 CD1 TYR B 19 4.698 18.059 12.077 1.00 1.97 C ATOM 1801 CD2 TYR B 19 6.206 19.946 12.367 1.00 1.96 C ATOM 1802 CE1 TYR B 19 5.231 17.444 13.222 1.00 1.99 C ATOM 1803 CE2 TYR B 19 6.771 19.324 13.501 1.00 2.01 C ATOM 1804 CZ TYR B 19 6.267 18.078 13.939 1.00 1.06 C ATOM 1805 OH TYR B 19 6.761 17.493 15.057 1.00 1.18 O ATOM 0 H TYR B 19 2.066 19.093 10.904 1.00 0.74 H new ATOM 0 HA TYR B 19 3.521 21.654 11.438 1.00 0.89 H new ATOM 0 HB2 TYR B 19 4.231 19.229 9.726 1.00 0.97 H new ATOM 0 HB3 TYR B 19 5.226 20.650 9.975 1.00 0.97 H new ATOM 0 HD1 TYR B 19 3.922 17.560 11.515 1.00 1.97 H new ATOM 0 HD2 TYR B 19 6.574 20.909 12.044 1.00 1.96 H new ATOM 0 HE1 TYR B 19 4.849 16.489 13.552 1.00 1.99 H new ATOM 0 HE2 TYR B 19 7.584 19.797 14.031 1.00 2.01 H new ATOM 0 HH TYR B 19 6.290 16.649 15.220 1.00 1.18 H new ATOM 1815 N SER B 20 1.954 20.574 8.727 1.00 0.90 N ATOM 1816 CA SER B 20 1.098 20.991 7.601 1.00 1.03 C ATOM 1817 C SER B 20 -0.184 21.738 8.021 1.00 1.26 C ATOM 1818 O SER B 20 -0.737 22.518 7.250 1.00 1.98 O ATOM 1819 CB SER B 20 0.725 19.745 6.798 1.00 1.05 C ATOM 1820 OG SER B 20 -0.020 18.825 7.570 1.00 1.69 O ATOM 0 H SER B 20 2.028 19.561 8.820 1.00 0.90 H new ATOM 0 HA SER B 20 1.672 21.703 7.008 1.00 1.03 H new ATOM 0 HB2 SER B 20 0.146 20.037 5.922 1.00 1.05 H new ATOM 0 HB3 SER B 20 1.632 19.263 6.434 1.00 1.05 H new ATOM 0 HG SER B 20 0.499 18.565 8.360 1.00 1.69 H new ATOM 1826 N GLY B 21 -0.649 21.547 9.264 1.00 1.02 N ATOM 1827 CA GLY B 21 -1.773 22.289 9.844 1.00 1.23 C ATOM 1828 C GLY B 21 -1.405 23.715 10.264 1.00 1.39 C ATOM 1829 O GLY B 21 -2.249 24.402 10.833 1.00 1.76 O ATOM 0 H GLY B 21 -0.247 20.861 9.903 1.00 1.02 H new ATOM 0 HA2 GLY B 21 -2.586 22.330 9.119 1.00 1.23 H new ATOM 0 HA3 GLY B 21 -2.148 21.747 10.712 1.00 1.23 H new ATOM 1832 N ARG B 22 -0.172 24.163 9.991 1.00 1.51 N ATOM 1833 CA ARG B 22 0.254 25.556 10.148 1.00 1.93 C ATOM 1834 C ARG B 22 -0.144 26.415 8.937 1.00 2.35 C ATOM 1835 O ARG B 22 -0.862 27.399 9.084 1.00 3.02 O ATOM 1836 CB ARG B 22 1.782 25.647 10.302 1.00 2.22 C ATOM 1837 CG ARG B 22 2.389 25.013 11.565 1.00 2.04 C ATOM 1838 CD ARG B 22 3.924 24.992 11.443 1.00 2.13 C ATOM 1839 NE ARG B 22 4.452 26.335 11.139 1.00 2.78 N ATOM 1840 CZ ARG B 22 4.758 27.326 11.958 1.00 3.33 C ATOM 1841 NH1 ARG B 22 4.860 27.144 13.257 1.00 3.55 N ATOM 1842 NH2 ARG B 22 4.947 28.526 11.460 1.00 4.54 N ATOM 0 H ARG B 22 0.570 23.553 9.648 1.00 1.51 H new ATOM 0 HA ARG B 22 -0.245 25.930 11.042 1.00 1.93 H new ATOM 0 HB2 ARG B 22 2.240 25.177 9.432 1.00 2.22 H new ATOM 0 HB3 ARG B 22 2.064 26.700 10.281 1.00 2.22 H new ATOM 0 HG2 ARG B 22 2.092 25.579 12.448 1.00 2.04 H new ATOM 0 HG3 ARG B 22 2.010 23.999 11.694 1.00 2.04 H new ATOM 0 HD2 ARG B 22 4.361 24.628 12.373 1.00 2.13 H new ATOM 0 HD3 ARG B 22 4.220 24.296 10.658 1.00 2.13 H new ATOM 0 HE ARG B 22 4.604 26.528 10.149 1.00 2.78 H new ATOM 0 HH11 ARG B 22 4.701 26.219 13.656 1.00 3.55 H new ATOM 0 HH12 ARG B 22 5.098 27.928 13.865 1.00 3.55 H new ATOM 0 HH21 ARG B 22 4.857 28.681 10.456 1.00 4.54 H new ATOM 0 HH22 ARG B 22 5.184 29.303 12.077 1.00 4.54 H new ATOM 1856 N GLU B 23 0.397 26.096 7.762 1.00 2.19 N ATOM 1857 CA GLU B 23 0.624 27.038 6.663 1.00 2.50 C ATOM 1858 C GLU B 23 0.612 26.279 5.331 1.00 2.74 C ATOM 1859 O GLU B 23 0.936 25.092 5.273 1.00 3.62 O ATOM 1860 CB GLU B 23 1.997 27.726 6.840 1.00 2.71 C ATOM 1861 CG GLU B 23 2.064 28.805 7.945 1.00 3.37 C ATOM 1862 CD GLU B 23 3.396 28.857 8.701 1.00 3.92 C ATOM 1863 OE1 GLU B 23 4.056 27.808 8.852 1.00 4.31 O ATOM 1864 OE2 GLU B 23 3.740 29.919 9.256 1.00 4.81 O ATOM 0 H GLU B 23 0.699 25.147 7.540 1.00 2.19 H new ATOM 0 HA GLU B 23 -0.164 27.791 6.668 1.00 2.50 H new ATOM 0 HB2 GLU B 23 2.742 26.961 7.058 1.00 2.71 H new ATOM 0 HB3 GLU B 23 2.279 28.184 5.892 1.00 2.71 H new ATOM 0 HG2 GLU B 23 1.878 29.780 7.495 1.00 3.37 H new ATOM 0 HG3 GLU B 23 1.261 28.625 8.660 1.00 3.37 H new ATOM 1871 N GLY B 24 0.256 26.975 4.245 1.00 2.85 N ATOM 1872 CA GLY B 24 0.256 26.423 2.888 1.00 3.33 C ATOM 1873 C GLY B 24 -0.945 25.513 2.649 1.00 2.54 C ATOM 1874 O GLY B 24 -1.914 25.931 2.022 1.00 3.08 O ATOM 0 H GLY B 24 -0.044 27.949 4.286 1.00 2.85 H new ATOM 0 HA2 GLY B 24 0.245 27.238 2.164 1.00 3.33 H new ATOM 0 HA3 GLY B 24 1.176 25.862 2.723 1.00 3.33 H new ATOM 1877 N SER B 25 -0.895 24.285 3.157 1.00 1.99 N ATOM 1878 CA SER B 25 -1.935 23.261 3.008 1.00 1.70 C ATOM 1879 C SER B 25 -1.676 22.060 3.925 1.00 1.53 C ATOM 1880 O SER B 25 -0.534 21.637 4.070 1.00 1.88 O ATOM 1881 CB SER B 25 -1.998 22.781 1.553 1.00 2.57 C ATOM 1882 OG SER B 25 -2.967 21.757 1.395 1.00 3.90 O ATOM 0 H SER B 25 -0.099 23.959 3.706 1.00 1.99 H new ATOM 0 HA SER B 25 -2.885 23.714 3.291 1.00 1.70 H new ATOM 0 HB2 SER B 25 -2.241 23.620 0.900 1.00 2.57 H new ATOM 0 HB3 SER B 25 -1.020 22.411 1.246 1.00 2.57 H new ATOM 0 HG SER B 25 -2.989 21.469 0.458 1.00 3.90 H new ATOM 1888 N LYS B 26 -2.731 21.430 4.460 1.00 1.36 N ATOM 1889 CA LYS B 26 -2.672 20.277 5.384 1.00 1.32 C ATOM 1890 C LYS B 26 -2.098 18.987 4.745 1.00 1.25 C ATOM 1891 O LYS B 26 -2.045 17.935 5.387 1.00 1.42 O ATOM 1892 CB LYS B 26 -4.092 20.041 5.939 1.00 1.50 C ATOM 1893 CG LYS B 26 -4.623 21.240 6.752 1.00 1.60 C ATOM 1894 CD LYS B 26 -6.152 21.334 6.733 1.00 1.88 C ATOM 1895 CE LYS B 26 -6.862 20.495 7.803 1.00 3.03 C ATOM 1896 NZ LYS B 26 -6.782 21.123 9.138 1.00 4.26 N ATOM 0 H LYS B 26 -3.688 21.717 4.256 1.00 1.36 H new ATOM 0 HA LYS B 26 -1.974 20.520 6.185 1.00 1.32 H new ATOM 0 HB2 LYS B 26 -4.772 19.840 5.111 1.00 1.50 H new ATOM 0 HB3 LYS B 26 -4.087 19.153 6.571 1.00 1.50 H new ATOM 0 HG2 LYS B 26 -4.281 21.155 7.783 1.00 1.60 H new ATOM 0 HG3 LYS B 26 -4.201 22.162 6.351 1.00 1.60 H new ATOM 0 HD2 LYS B 26 -6.439 22.378 6.860 1.00 1.88 H new ATOM 0 HD3 LYS B 26 -6.509 21.022 5.751 1.00 1.88 H new ATOM 0 HE2 LYS B 26 -7.908 20.363 7.526 1.00 3.03 H new ATOM 0 HE3 LYS B 26 -6.415 19.502 7.842 1.00 3.03 H new ATOM 0 HZ1 LYS B 26 -6.101 20.602 9.726 1.00 4.26 H new ATOM 0 HZ2 LYS B 26 -6.470 22.110 9.039 1.00 4.26 H new ATOM 0 HZ3 LYS B 26 -7.719 21.099 9.589 1.00 4.26 H new ATOM 1910 N LEU B 27 -1.703 19.061 3.466 1.00 1.17 N ATOM 1911 CA LEU B 27 -1.043 18.005 2.691 1.00 1.17 C ATOM 1912 C LEU B 27 0.433 18.300 2.357 1.00 0.97 C ATOM 1913 O LEU B 27 1.117 17.398 1.868 1.00 0.97 O ATOM 1914 CB LEU B 27 -1.850 17.729 1.409 1.00 1.44 C ATOM 1915 CG LEU B 27 -3.322 17.309 1.609 1.00 1.92 C ATOM 1916 CD1 LEU B 27 -3.898 16.971 0.233 1.00 2.17 C ATOM 1917 CD2 LEU B 27 -3.507 16.095 2.532 1.00 2.80 C ATOM 0 H LEU B 27 -1.844 19.908 2.915 1.00 1.17 H new ATOM 0 HA LEU B 27 -1.023 17.117 3.323 1.00 1.17 H new ATOM 0 HB2 LEU B 27 -1.831 18.627 0.792 1.00 1.44 H new ATOM 0 HB3 LEU B 27 -1.343 16.945 0.847 1.00 1.44 H new ATOM 0 HG LEU B 27 -3.836 18.141 2.091 1.00 1.92 H new ATOM 0 HD11 LEU B 27 -4.940 16.669 0.339 1.00 2.17 H new ATOM 0 HD12 LEU B 27 -3.838 17.848 -0.412 1.00 2.17 H new ATOM 0 HD13 LEU B 27 -3.327 16.155 -0.210 1.00 2.17 H new ATOM 0 HD21 LEU B 27 -4.569 15.864 2.621 1.00 2.80 H new ATOM 0 HD22 LEU B 27 -2.982 15.236 2.113 1.00 2.80 H new ATOM 0 HD23 LEU B 27 -3.102 16.322 3.518 1.00 2.80 H new ATOM 1929 N THR B 28 0.945 19.501 2.667 1.00 0.91 N ATOM 1930 CA THR B 28 2.366 19.866 2.519 1.00 0.81 C ATOM 1931 C THR B 28 2.969 20.426 3.812 1.00 0.88 C ATOM 1932 O THR B 28 2.247 20.897 4.678 1.00 0.99 O ATOM 1933 CB THR B 28 2.579 20.844 1.355 1.00 0.76 C ATOM 1934 OG1 THR B 28 1.750 21.972 1.507 1.00 0.89 O ATOM 1935 CG2 THR B 28 2.250 20.243 -0.009 1.00 0.78 C ATOM 0 H THR B 28 0.374 20.262 3.035 1.00 0.91 H new ATOM 0 HA THR B 28 2.895 18.941 2.291 1.00 0.81 H new ATOM 0 HB THR B 28 3.638 21.102 1.386 1.00 0.76 H new ATOM 0 HG1 THR B 28 1.896 22.589 0.760 1.00 0.89 H new ATOM 0 HG21 THR B 28 2.423 20.988 -0.786 1.00 0.78 H new ATOM 0 HG22 THR B 28 2.887 19.377 -0.188 1.00 0.78 H new ATOM 0 HG23 THR B 28 1.205 19.934 -0.028 1.00 0.78 H new ATOM 1943 N LEU B 29 4.297 20.405 3.958 1.00 0.88 N ATOM 1944 CA LEU B 29 5.029 21.046 5.071 1.00 0.97 C ATOM 1945 C LEU B 29 6.364 21.628 4.589 1.00 0.83 C ATOM 1946 O LEU B 29 6.780 21.361 3.462 1.00 0.73 O ATOM 1947 CB LEU B 29 5.162 20.108 6.299 1.00 1.06 C ATOM 1948 CG LEU B 29 6.372 19.145 6.344 1.00 0.89 C ATOM 1949 CD1 LEU B 29 6.303 18.276 7.612 1.00 1.18 C ATOM 1950 CD2 LEU B 29 6.425 18.230 5.116 1.00 0.87 C ATOM 0 H LEU B 29 4.913 19.934 3.295 1.00 0.88 H new ATOM 0 HA LEU B 29 4.438 21.891 5.424 1.00 0.97 H new ATOM 0 HB2 LEU B 29 5.196 20.730 7.193 1.00 1.06 H new ATOM 0 HB3 LEU B 29 4.254 19.508 6.362 1.00 1.06 H new ATOM 0 HG LEU B 29 7.273 19.758 6.351 1.00 0.89 H new ATOM 0 HD11 LEU B 29 7.158 17.600 7.637 1.00 1.18 H new ATOM 0 HD12 LEU B 29 6.321 18.917 8.494 1.00 1.18 H new ATOM 0 HD13 LEU B 29 5.381 17.694 7.605 1.00 1.18 H new ATOM 0 HD21 LEU B 29 7.290 17.571 5.190 1.00 0.87 H new ATOM 0 HD22 LEU B 29 5.516 17.631 5.069 1.00 0.87 H new ATOM 0 HD23 LEU B 29 6.507 18.836 4.214 1.00 0.87 H new ATOM 1962 N SER B 30 7.048 22.436 5.397 1.00 0.97 N ATOM 1963 CA SER B 30 8.320 23.029 4.944 1.00 0.92 C ATOM 1964 C SER B 30 9.513 22.044 4.996 1.00 0.74 C ATOM 1965 O SER B 30 9.586 21.119 5.808 1.00 0.69 O ATOM 1966 CB SER B 30 8.602 24.376 5.635 1.00 1.10 C ATOM 1967 OG SER B 30 8.595 24.318 7.050 1.00 1.90 O ATOM 0 H SER B 30 6.761 22.694 6.341 1.00 0.97 H new ATOM 0 HA SER B 30 8.197 23.249 3.883 1.00 0.92 H new ATOM 0 HB2 SER B 30 9.572 24.745 5.303 1.00 1.10 H new ATOM 0 HB3 SER B 30 7.856 25.101 5.309 1.00 1.10 H new ATOM 0 HG SER B 30 7.729 23.978 7.359 1.00 1.90 H new ATOM 1973 N ARG B 31 10.491 22.212 4.107 1.00 0.79 N ATOM 1974 CA ARG B 31 11.561 21.229 3.909 1.00 0.76 C ATOM 1975 C ARG B 31 12.592 21.204 5.061 1.00 0.71 C ATOM 1976 O ARG B 31 12.995 20.131 5.510 1.00 0.81 O ATOM 1977 CB ARG B 31 12.116 21.468 2.498 1.00 1.22 C ATOM 1978 CG ARG B 31 13.298 20.585 2.113 1.00 1.34 C ATOM 1979 CD ARG B 31 13.489 20.643 0.590 1.00 1.14 C ATOM 1980 NE ARG B 31 14.558 19.736 0.120 1.00 1.93 N ATOM 1981 CZ ARG B 31 14.392 18.636 -0.615 1.00 2.21 C ATOM 1982 NH1 ARG B 31 13.231 18.316 -1.135 1.00 2.26 N ATOM 1983 NH2 ARG B 31 15.419 17.839 -0.825 1.00 3.11 N ATOM 0 H ARG B 31 10.566 23.031 3.504 1.00 0.79 H new ATOM 0 HA ARG B 31 11.184 20.207 3.958 1.00 0.76 H new ATOM 0 HB2 ARG B 31 11.314 21.311 1.777 1.00 1.22 H new ATOM 0 HB3 ARG B 31 12.419 22.512 2.415 1.00 1.22 H new ATOM 0 HG2 ARG B 31 14.202 20.924 2.619 1.00 1.34 H new ATOM 0 HG3 ARG B 31 13.120 19.558 2.432 1.00 1.34 H new ATOM 0 HD2 ARG B 31 12.552 20.381 0.099 1.00 1.14 H new ATOM 0 HD3 ARG B 31 13.728 21.665 0.295 1.00 1.14 H new ATOM 0 HE ARG B 31 15.514 19.975 0.383 1.00 1.93 H new ATOM 0 HH11 ARG B 31 12.421 18.916 -0.982 1.00 2.26 H new ATOM 0 HH12 ARG B 31 13.139 17.467 -1.693 1.00 2.26 H new ATOM 0 HH21 ARG B 31 16.330 18.066 -0.427 1.00 3.11 H new ATOM 0 HH22 ARG B 31 15.303 16.995 -1.386 1.00 3.11 H new ATOM 1997 N LYS B 32 12.950 22.354 5.645 1.00 0.83 N ATOM 1998 CA LYS B 32 13.704 22.423 6.908 1.00 1.07 C ATOM 1999 C LYS B 32 12.903 21.866 8.108 1.00 1.08 C ATOM 2000 O LYS B 32 13.492 21.405 9.085 1.00 1.19 O ATOM 2001 CB LYS B 32 14.198 23.864 7.148 1.00 1.37 C ATOM 2002 CG LYS B 32 15.733 23.895 7.241 1.00 2.14 C ATOM 2003 CD LYS B 32 16.230 25.291 7.635 1.00 2.53 C ATOM 2004 CE LYS B 32 17.765 25.365 7.702 1.00 3.83 C ATOM 2005 NZ LYS B 32 18.388 25.575 6.375 1.00 4.96 N ATOM 0 H LYS B 32 12.725 23.269 5.255 1.00 0.83 H new ATOM 0 HA LYS B 32 14.576 21.775 6.817 1.00 1.07 H new ATOM 0 HB2 LYS B 32 13.863 24.510 6.336 1.00 1.37 H new ATOM 0 HB3 LYS B 32 13.763 24.256 8.068 1.00 1.37 H new ATOM 0 HG2 LYS B 32 16.072 23.164 7.975 1.00 2.14 H new ATOM 0 HG3 LYS B 32 16.165 23.608 6.282 1.00 2.14 H new ATOM 0 HD2 LYS B 32 15.864 26.022 6.914 1.00 2.53 H new ATOM 0 HD3 LYS B 32 15.812 25.563 8.604 1.00 2.53 H new ATOM 0 HE2 LYS B 32 18.056 26.177 8.368 1.00 3.83 H new ATOM 0 HE3 LYS B 32 18.150 24.443 8.137 1.00 3.83 H new ATOM 0 HZ1 LYS B 32 19.010 24.772 6.153 1.00 4.96 H new ATOM 0 HZ2 LYS B 32 17.645 25.649 5.651 1.00 4.96 H new ATOM 0 HZ3 LYS B 32 18.946 26.452 6.389 1.00 4.96 H new ATOM 2019 N GLU B 33 11.571 21.870 8.032 1.00 1.04 N ATOM 2020 CA GLU B 33 10.658 21.346 9.054 1.00 1.03 C ATOM 2021 C GLU B 33 10.434 19.830 8.942 1.00 0.87 C ATOM 2022 O GLU B 33 10.397 19.176 9.977 1.00 0.89 O ATOM 2023 CB GLU B 33 9.353 22.125 8.938 1.00 1.13 C ATOM 2024 CG GLU B 33 8.178 21.700 9.815 1.00 1.30 C ATOM 2025 CD GLU B 33 6.962 22.572 9.504 1.00 2.12 C ATOM 2026 OE1 GLU B 33 6.723 22.818 8.289 1.00 3.49 O ATOM 2027 OE2 GLU B 33 6.299 22.988 10.481 1.00 2.69 O ATOM 0 H GLU B 33 11.078 22.253 7.226 1.00 1.04 H new ATOM 0 HA GLU B 33 11.101 21.484 10.040 1.00 1.03 H new ATOM 0 HB2 GLU B 33 9.569 23.171 9.155 1.00 1.13 H new ATOM 0 HB3 GLU B 33 9.027 22.076 7.899 1.00 1.13 H new ATOM 0 HG2 GLU B 33 7.940 20.651 9.638 1.00 1.30 H new ATOM 0 HG3 GLU B 33 8.445 21.793 10.868 1.00 1.30 H new ATOM 2034 N LEU B 34 10.385 19.231 7.745 1.00 0.73 N ATOM 2035 CA LEU B 34 10.426 17.767 7.574 1.00 0.69 C ATOM 2036 C LEU B 34 11.638 17.162 8.298 1.00 0.69 C ATOM 2037 O LEU B 34 11.503 16.207 9.067 1.00 0.63 O ATOM 2038 CB LEU B 34 10.442 17.413 6.071 1.00 0.70 C ATOM 2039 CG LEU B 34 10.638 15.900 5.806 1.00 0.77 C ATOM 2040 CD1 LEU B 34 9.517 15.056 6.422 1.00 1.02 C ATOM 2041 CD2 LEU B 34 10.720 15.596 4.310 1.00 1.02 C ATOM 0 H LEU B 34 10.316 19.744 6.866 1.00 0.73 H new ATOM 0 HA LEU B 34 9.530 17.338 8.022 1.00 0.69 H new ATOM 0 HB2 LEU B 34 9.505 17.737 5.617 1.00 0.70 H new ATOM 0 HB3 LEU B 34 11.242 17.968 5.581 1.00 0.70 H new ATOM 0 HG LEU B 34 11.582 15.633 6.282 1.00 0.77 H new ATOM 0 HD11 LEU B 34 9.697 14.002 6.210 1.00 1.02 H new ATOM 0 HD12 LEU B 34 9.496 15.211 7.501 1.00 1.02 H new ATOM 0 HD13 LEU B 34 8.560 15.354 5.994 1.00 1.02 H new ATOM 0 HD21 LEU B 34 10.858 14.525 4.163 1.00 1.02 H new ATOM 0 HD22 LEU B 34 9.798 15.913 3.823 1.00 1.02 H new ATOM 0 HD23 LEU B 34 11.563 16.133 3.875 1.00 1.02 H new ATOM 2053 N LYS B 35 12.816 17.778 8.139 1.00 0.79 N ATOM 2054 CA LYS B 35 14.015 17.441 8.899 1.00 0.81 C ATOM 2055 C LYS B 35 13.727 17.470 10.415 1.00 0.80 C ATOM 2056 O LYS B 35 14.224 16.629 11.162 1.00 0.82 O ATOM 2057 CB LYS B 35 15.106 18.449 8.468 1.00 0.82 C ATOM 2058 CG LYS B 35 16.569 18.146 8.832 1.00 1.65 C ATOM 2059 CD LYS B 35 16.934 18.105 10.326 1.00 2.22 C ATOM 2060 CE LYS B 35 16.357 19.270 11.142 1.00 2.76 C ATOM 2061 NZ LYS B 35 16.557 19.091 12.599 1.00 4.70 N ATOM 0 H LYS B 35 12.960 18.534 7.469 1.00 0.79 H new ATOM 0 HA LYS B 35 14.356 16.426 8.693 1.00 0.81 H new ATOM 0 HB2 LYS B 35 15.049 18.556 7.385 1.00 0.82 H new ATOM 0 HB3 LYS B 35 14.851 19.418 8.898 1.00 0.82 H new ATOM 0 HG2 LYS B 35 16.832 17.183 8.395 1.00 1.65 H new ATOM 0 HG3 LYS B 35 17.198 18.896 8.352 1.00 1.65 H new ATOM 0 HD2 LYS B 35 16.578 17.166 10.751 1.00 2.22 H new ATOM 0 HD3 LYS B 35 18.020 18.108 10.424 1.00 2.22 H new ATOM 0 HE2 LYS B 35 16.828 20.201 10.825 1.00 2.76 H new ATOM 0 HE3 LYS B 35 15.291 19.364 10.933 1.00 2.76 H new ATOM 0 HZ1 LYS B 35 15.676 19.321 13.101 1.00 4.70 H new ATOM 0 HZ2 LYS B 35 16.819 18.104 12.795 1.00 4.70 H new ATOM 0 HZ3 LYS B 35 17.317 19.722 12.925 1.00 4.70 H new ATOM 2075 N GLU B 36 12.941 18.438 10.885 1.00 0.80 N ATOM 2076 CA GLU B 36 12.618 18.632 12.289 1.00 0.83 C ATOM 2077 C GLU B 36 11.591 17.617 12.807 1.00 0.71 C ATOM 2078 O GLU B 36 11.839 17.038 13.861 1.00 0.78 O ATOM 2079 CB GLU B 36 12.175 20.091 12.493 1.00 1.01 C ATOM 2080 CG GLU B 36 12.173 20.503 13.961 1.00 1.25 C ATOM 2081 CD GLU B 36 13.554 20.438 14.619 1.00 2.15 C ATOM 2082 OE1 GLU B 36 14.586 20.349 13.911 1.00 3.26 O ATOM 2083 OE2 GLU B 36 13.567 20.457 15.868 1.00 2.62 O ATOM 0 H GLU B 36 12.500 19.128 10.276 1.00 0.80 H new ATOM 0 HA GLU B 36 13.509 18.446 12.889 1.00 0.83 H new ATOM 0 HB2 GLU B 36 12.840 20.750 11.935 1.00 1.01 H new ATOM 0 HB3 GLU B 36 11.175 20.224 12.081 1.00 1.01 H new ATOM 0 HG2 GLU B 36 11.788 21.519 14.044 1.00 1.25 H new ATOM 0 HG3 GLU B 36 11.488 19.857 14.510 1.00 1.25 H new ATOM 2090 N LEU B 37 10.523 17.317 12.056 1.00 0.64 N ATOM 2091 CA LEU B 37 9.529 16.280 12.370 1.00 0.64 C ATOM 2092 C LEU B 37 10.225 14.944 12.637 1.00 0.66 C ATOM 2093 O LEU B 37 9.950 14.293 13.645 1.00 0.69 O ATOM 2094 CB LEU B 37 8.526 16.215 11.191 1.00 0.64 C ATOM 2095 CG LEU B 37 7.297 15.288 11.353 1.00 0.78 C ATOM 2096 CD1 LEU B 37 6.294 15.577 10.224 1.00 1.85 C ATOM 2097 CD2 LEU B 37 7.614 13.784 11.298 1.00 2.58 C ATOM 0 H LEU B 37 10.320 17.805 11.184 1.00 0.64 H new ATOM 0 HA LEU B 37 8.979 16.519 13.280 1.00 0.64 H new ATOM 0 HB2 LEU B 37 8.163 17.225 11.001 1.00 0.64 H new ATOM 0 HB3 LEU B 37 9.071 15.899 10.302 1.00 0.64 H new ATOM 0 HG LEU B 37 6.902 15.505 12.346 1.00 0.78 H new ATOM 0 HD11 LEU B 37 5.426 14.927 10.333 1.00 1.85 H new ATOM 0 HD12 LEU B 37 5.976 16.618 10.277 1.00 1.85 H new ATOM 0 HD13 LEU B 37 6.768 15.391 9.260 1.00 1.85 H new ATOM 0 HD21 LEU B 37 6.693 13.213 11.420 1.00 2.58 H new ATOM 0 HD22 LEU B 37 8.066 13.542 10.336 1.00 2.58 H new ATOM 0 HD23 LEU B 37 8.308 13.529 12.099 1.00 2.58 H new ATOM 2109 N ILE B 38 11.168 14.566 11.772 1.00 0.67 N ATOM 2110 CA ILE B 38 11.907 13.291 11.836 1.00 0.76 C ATOM 2111 C ILE B 38 12.747 13.133 13.120 1.00 0.82 C ATOM 2112 O ILE B 38 13.088 12.020 13.506 1.00 1.17 O ATOM 2113 CB ILE B 38 12.722 13.137 10.529 1.00 0.79 C ATOM 2114 CG1 ILE B 38 11.739 12.978 9.344 1.00 0.99 C ATOM 2115 CG2 ILE B 38 13.688 11.939 10.576 1.00 1.31 C ATOM 2116 CD1 ILE B 38 12.394 13.267 7.995 1.00 1.19 C ATOM 0 H ILE B 38 11.451 15.149 10.985 1.00 0.67 H new ATOM 0 HA ILE B 38 11.197 12.466 11.905 1.00 0.76 H new ATOM 0 HB ILE B 38 13.333 14.031 10.404 1.00 0.79 H new ATOM 0 HG12 ILE B 38 11.341 11.963 9.341 1.00 0.99 H new ATOM 0 HG13 ILE B 38 10.894 13.652 9.485 1.00 0.99 H new ATOM 0 HG21 ILE B 38 14.235 11.876 9.635 1.00 1.31 H new ATOM 0 HG22 ILE B 38 14.392 12.071 11.397 1.00 1.31 H new ATOM 0 HG23 ILE B 38 13.121 11.020 10.729 1.00 1.31 H new ATOM 0 HD11 ILE B 38 11.660 13.141 7.199 1.00 1.19 H new ATOM 0 HD12 ILE B 38 12.768 14.291 7.984 1.00 1.19 H new ATOM 0 HD13 ILE B 38 13.222 12.576 7.837 1.00 1.19 H new ATOM 2128 N LYS B 39 13.101 14.219 13.804 1.00 0.72 N ATOM 2129 CA LYS B 39 13.736 14.223 15.112 1.00 0.82 C ATOM 2130 C LYS B 39 12.847 14.740 16.264 1.00 0.89 C ATOM 2131 O LYS B 39 13.237 14.604 17.421 1.00 1.05 O ATOM 2132 CB LYS B 39 15.016 15.030 14.916 1.00 0.99 C ATOM 2133 CG LYS B 39 16.032 14.304 14.013 1.00 1.19 C ATOM 2134 CD LYS B 39 16.941 13.307 14.740 1.00 1.45 C ATOM 2135 CE LYS B 39 16.334 12.093 15.466 1.00 2.57 C ATOM 2136 NZ LYS B 39 15.723 11.091 14.562 1.00 3.78 N ATOM 0 H LYS B 39 12.944 15.160 13.442 1.00 0.72 H new ATOM 0 HA LYS B 39 13.941 13.206 15.445 1.00 0.82 H new ATOM 0 HB2 LYS B 39 14.770 15.997 14.478 1.00 0.99 H new ATOM 0 HB3 LYS B 39 15.471 15.227 15.887 1.00 0.99 H new ATOM 0 HG2 LYS B 39 15.488 13.775 13.231 1.00 1.19 H new ATOM 0 HG3 LYS B 39 16.656 15.049 13.519 1.00 1.19 H new ATOM 0 HD2 LYS B 39 17.651 12.924 14.007 1.00 1.45 H new ATOM 0 HD3 LYS B 39 17.515 13.870 15.476 1.00 1.45 H new ATOM 0 HE2 LYS B 39 17.113 11.608 16.055 1.00 2.57 H new ATOM 0 HE3 LYS B 39 15.577 12.444 16.167 1.00 2.57 H new ATOM 0 HZ1 LYS B 39 14.800 10.798 14.942 1.00 3.78 H new ATOM 0 HZ2 LYS B 39 15.592 11.509 13.619 1.00 3.78 H new ATOM 0 HZ3 LYS B 39 16.347 10.262 14.490 1.00 3.78 H new ATOM 2150 N LYS B 40 11.650 15.270 15.991 1.00 0.91 N ATOM 2151 CA LYS B 40 10.583 15.400 16.993 1.00 1.03 C ATOM 2152 C LYS B 40 9.954 14.036 17.315 1.00 1.09 C ATOM 2153 O LYS B 40 9.692 13.745 18.478 1.00 1.34 O ATOM 2154 CB LYS B 40 9.467 16.353 16.529 1.00 1.04 C ATOM 2155 CG LYS B 40 9.785 17.841 16.371 1.00 1.56 C ATOM 2156 CD LYS B 40 10.910 18.392 17.246 1.00 1.45 C ATOM 2157 CE LYS B 40 10.768 19.909 17.398 1.00 1.96 C ATOM 2158 NZ LYS B 40 11.977 20.497 18.014 1.00 2.19 N ATOM 0 H LYS B 40 11.392 15.622 15.069 1.00 0.91 H new ATOM 0 HA LYS B 40 11.054 15.812 17.885 1.00 1.03 H new ATOM 0 HB2 LYS B 40 9.102 15.990 15.568 1.00 1.04 H new ATOM 0 HB3 LYS B 40 8.643 16.265 17.237 1.00 1.04 H new ATOM 0 HG2 LYS B 40 10.041 18.027 15.328 1.00 1.56 H new ATOM 0 HG3 LYS B 40 8.879 18.408 16.582 1.00 1.56 H new ATOM 0 HD2 LYS B 40 10.883 17.917 18.227 1.00 1.45 H new ATOM 0 HD3 LYS B 40 11.876 18.153 16.802 1.00 1.45 H new ATOM 0 HE2 LYS B 40 10.597 20.361 16.421 1.00 1.96 H new ATOM 0 HE3 LYS B 40 9.896 20.136 18.011 1.00 1.96 H new ATOM 0 HZ1 LYS B 40 11.730 21.397 18.472 1.00 2.19 H new ATOM 0 HZ2 LYS B 40 12.359 19.840 18.724 1.00 2.19 H new ATOM 0 HZ3 LYS B 40 12.693 20.667 17.279 1.00 2.19 H new ATOM 2172 N GLU B 41 9.667 13.247 16.272 1.00 1.05 N ATOM 2173 CA GLU B 41 8.733 12.115 16.330 1.00 1.16 C ATOM 2174 C GLU B 41 9.282 10.806 15.745 1.00 1.06 C ATOM 2175 O GLU B 41 8.575 9.798 15.766 1.00 1.45 O ATOM 2176 CB GLU B 41 7.380 12.496 15.692 1.00 1.70 C ATOM 2177 CG GLU B 41 6.785 13.760 16.341 1.00 2.85 C ATOM 2178 CD GLU B 41 5.263 13.773 16.397 1.00 4.19 C ATOM 2179 OE1 GLU B 41 4.636 12.765 16.798 1.00 4.97 O ATOM 2180 OE2 GLU B 41 4.654 14.825 16.121 1.00 5.19 O ATOM 0 H GLU B 41 10.083 13.379 15.350 1.00 1.05 H new ATOM 0 HA GLU B 41 8.584 11.905 17.389 1.00 1.16 H new ATOM 0 HB2 GLU B 41 7.515 12.664 14.623 1.00 1.70 H new ATOM 0 HB3 GLU B 41 6.680 11.667 15.799 1.00 1.70 H new ATOM 0 HG2 GLU B 41 7.176 13.853 17.354 1.00 2.85 H new ATOM 0 HG3 GLU B 41 7.125 14.635 15.786 1.00 2.85 H new ATOM 2187 N LEU B 42 10.554 10.737 15.326 1.00 0.99 N ATOM 2188 CA LEU B 42 11.311 9.491 15.306 1.00 1.09 C ATOM 2189 C LEU B 42 12.576 9.612 16.164 1.00 1.09 C ATOM 2190 O LEU B 42 13.319 10.587 16.060 1.00 1.20 O ATOM 2191 CB LEU B 42 11.663 9.095 13.856 1.00 1.27 C ATOM 2192 CG LEU B 42 11.321 7.619 13.626 1.00 1.36 C ATOM 2193 CD1 LEU B 42 9.832 7.426 13.322 1.00 1.95 C ATOM 2194 CD2 LEU B 42 12.139 7.014 12.485 1.00 2.87 C ATOM 0 H LEU B 42 11.080 11.545 14.993 1.00 0.99 H new ATOM 0 HA LEU B 42 10.690 8.703 15.732 1.00 1.09 H new ATOM 0 HB2 LEU B 42 11.111 9.720 13.154 1.00 1.27 H new ATOM 0 HB3 LEU B 42 12.723 9.266 13.669 1.00 1.27 H new ATOM 0 HG LEU B 42 11.570 7.104 14.554 1.00 1.36 H new ATOM 0 HD11 LEU B 42 9.627 6.367 13.165 1.00 1.95 H new ATOM 0 HD12 LEU B 42 9.239 7.790 14.161 1.00 1.95 H new ATOM 0 HD13 LEU B 42 9.569 7.984 12.423 1.00 1.95 H new ATOM 0 HD21 LEU B 42 11.865 5.967 12.356 1.00 2.87 H new ATOM 0 HD22 LEU B 42 11.935 7.558 11.563 1.00 2.87 H new ATOM 0 HD23 LEU B 42 13.201 7.085 12.721 1.00 2.87 H new ATOM 2206 N CYS B 43 12.877 8.576 16.949 1.00 1.37 N ATOM 2207 CA CYS B 43 14.253 8.292 17.362 1.00 1.85 C ATOM 2208 C CYS B 43 14.941 7.464 16.256 1.00 2.38 C ATOM 2209 O CYS B 43 14.490 7.453 15.108 1.00 3.73 O ATOM 2210 CB CYS B 43 14.191 7.597 18.737 1.00 2.24 C ATOM 2211 SG CYS B 43 15.771 7.768 19.612 1.00 3.13 S ATOM 0 H CYS B 43 12.186 7.919 17.312 1.00 1.37 H new ATOM 0 HA CYS B 43 14.858 9.191 17.483 1.00 1.85 H new ATOM 0 HB2 CYS B 43 13.390 8.032 19.334 1.00 2.24 H new ATOM 0 HB3 CYS B 43 13.954 6.541 18.606 1.00 2.24 H new ATOM 0 HG CYS B 43 15.693 7.177 20.767 1.00 3.13 H new ATOM 2217 N LEU B 44 16.009 6.756 16.603 1.00 2.33 N ATOM 2218 CA LEU B 44 16.741 5.752 15.823 1.00 2.87 C ATOM 2219 C LEU B 44 17.527 6.301 14.618 1.00 3.81 C ATOM 2220 O LEU B 44 18.515 5.683 14.220 1.00 4.65 O ATOM 2221 CB LEU B 44 15.837 4.590 15.367 1.00 3.67 C ATOM 2222 CG LEU B 44 14.898 3.936 16.397 1.00 4.25 C ATOM 2223 CD1 LEU B 44 14.104 2.860 15.644 1.00 5.34 C ATOM 2224 CD2 LEU B 44 15.566 3.313 17.623 1.00 5.48 C ATOM 0 H LEU B 44 16.428 6.878 17.525 1.00 2.33 H new ATOM 0 HA LEU B 44 17.484 5.381 16.529 1.00 2.87 H new ATOM 0 HB2 LEU B 44 15.222 4.953 14.543 1.00 3.67 H new ATOM 0 HB3 LEU B 44 16.481 3.809 14.964 1.00 3.67 H new ATOM 0 HG LEU B 44 14.281 4.732 16.814 1.00 4.25 H new ATOM 0 HD11 LEU B 44 13.420 2.364 16.333 1.00 5.34 H new ATOM 0 HD12 LEU B 44 13.535 3.325 14.839 1.00 5.34 H new ATOM 0 HD13 LEU B 44 14.793 2.126 15.225 1.00 5.34 H new ATOM 0 HD21 LEU B 44 14.804 2.885 18.274 1.00 5.48 H new ATOM 0 HD22 LEU B 44 16.253 2.529 17.304 1.00 5.48 H new ATOM 0 HD23 LEU B 44 16.118 4.080 18.166 1.00 5.48 H new ATOM 2236 N GLY B 45 17.120 7.436 14.051 1.00 4.45 N ATOM 2237 CA GLY B 45 17.758 8.139 12.938 1.00 5.84 C ATOM 2238 C GLY B 45 18.785 9.166 13.405 1.00 5.41 C ATOM 2239 O GLY B 45 18.675 10.337 13.045 1.00 6.34 O ATOM 0 H GLY B 45 16.283 7.920 14.377 1.00 4.45 H new ATOM 0 HA2 GLY B 45 18.245 7.414 12.286 1.00 5.84 H new ATOM 0 HA3 GLY B 45 16.994 8.639 12.343 1.00 5.84 H new ATOM 2242 N GLU B 46 19.728 8.707 14.232 1.00 4.57 N ATOM 2243 CA GLU B 46 20.817 9.454 14.867 1.00 4.76 C ATOM 2244 C GLU B 46 21.871 8.514 15.487 1.00 3.85 C ATOM 2245 O GLU B 46 23.055 8.820 15.426 1.00 4.87 O ATOM 2246 CB GLU B 46 20.272 10.477 15.880 1.00 5.60 C ATOM 2247 CG GLU B 46 19.628 9.870 17.131 1.00 4.86 C ATOM 2248 CD GLU B 46 18.518 8.880 16.807 1.00 4.70 C ATOM 2249 OE1 GLU B 46 17.426 9.323 16.374 1.00 5.58 O ATOM 2250 OE2 GLU B 46 18.815 7.663 16.849 1.00 4.54 O ATOM 0 H GLU B 46 19.751 7.722 14.496 1.00 4.57 H new ATOM 0 HA GLU B 46 21.331 10.019 14.089 1.00 4.76 H new ATOM 0 HB2 GLU B 46 21.089 11.129 16.190 1.00 5.60 H new ATOM 0 HB3 GLU B 46 19.535 11.105 15.379 1.00 5.60 H new ATOM 0 HG2 GLU B 46 20.395 9.368 17.720 1.00 4.86 H new ATOM 0 HG3 GLU B 46 19.224 10.671 17.750 1.00 4.86 H new ATOM 2257 N MET B 47 21.494 7.323 15.995 1.00 2.55 N ATOM 2258 CA MET B 47 22.466 6.243 16.277 1.00 2.73 C ATOM 2259 C MET B 47 23.247 5.808 15.026 1.00 2.40 C ATOM 2260 O MET B 47 24.311 5.207 15.109 1.00 2.69 O ATOM 2261 CB MET B 47 21.797 4.985 16.821 1.00 3.21 C ATOM 2262 CG MET B 47 21.065 5.163 18.151 1.00 3.85 C ATOM 2263 SD MET B 47 20.307 3.607 18.686 1.00 4.57 S ATOM 2264 CE MET B 47 18.933 3.608 17.520 1.00 3.57 C ATOM 0 H MET B 47 20.528 7.084 16.218 1.00 2.55 H new ATOM 0 HA MET B 47 23.138 6.676 17.018 1.00 2.73 H new ATOM 0 HB2 MET B 47 21.087 4.620 16.079 1.00 3.21 H new ATOM 0 HB3 MET B 47 22.556 4.212 16.942 1.00 3.21 H new ATOM 0 HG2 MET B 47 21.764 5.512 18.911 1.00 3.85 H new ATOM 0 HG3 MET B 47 20.297 5.930 18.048 1.00 3.85 H new ATOM 0 HE1 MET B 47 18.620 2.582 17.325 1.00 3.57 H new ATOM 0 HE2 MET B 47 18.098 4.168 17.942 1.00 3.57 H new ATOM 0 HE3 MET B 47 19.248 4.075 16.587 1.00 3.57 H new ATOM 2274 N LYS B 48 22.656 6.022 13.849 1.00 2.21 N ATOM 2275 CA LYS B 48 23.308 5.958 12.552 1.00 2.35 C ATOM 2276 C LYS B 48 23.580 7.395 12.088 1.00 2.47 C ATOM 2277 O LYS B 48 22.686 8.232 12.182 1.00 2.72 O ATOM 2278 CB LYS B 48 22.360 5.263 11.561 1.00 2.60 C ATOM 2279 CG LYS B 48 22.318 3.730 11.683 1.00 2.80 C ATOM 2280 CD LYS B 48 21.766 3.127 12.987 1.00 2.76 C ATOM 2281 CE LYS B 48 20.443 3.815 13.322 1.00 3.49 C ATOM 2282 NZ LYS B 48 19.506 3.015 14.143 1.00 4.74 N ATOM 0 H LYS B 48 21.665 6.255 13.777 1.00 2.21 H new ATOM 0 HA LYS B 48 24.243 5.401 12.609 1.00 2.35 H new ATOM 0 HB2 LYS B 48 21.353 5.654 11.707 1.00 2.60 H new ATOM 0 HB3 LYS B 48 22.660 5.526 10.546 1.00 2.60 H new ATOM 0 HG2 LYS B 48 21.720 3.345 10.857 1.00 2.80 H new ATOM 0 HG3 LYS B 48 23.332 3.355 11.544 1.00 2.80 H new ATOM 0 HD2 LYS B 48 21.616 2.053 12.873 1.00 2.76 H new ATOM 0 HD3 LYS B 48 22.480 3.265 13.799 1.00 2.76 H new ATOM 0 HE2 LYS B 48 20.659 4.745 13.848 1.00 3.49 H new ATOM 0 HE3 LYS B 48 19.946 4.084 12.390 1.00 3.49 H new ATOM 0 HZ1 LYS B 48 18.795 3.643 14.570 1.00 4.74 H new ATOM 0 HZ2 LYS B 48 19.030 2.312 13.542 1.00 4.74 H new ATOM 0 HZ3 LYS B 48 20.033 2.527 14.895 1.00 4.74 H new ATOM 2296 N GLU B 49 24.768 7.627 11.535 1.00 2.75 N ATOM 2297 CA GLU B 49 25.156 8.851 10.832 1.00 3.02 C ATOM 2298 C GLU B 49 25.329 8.534 9.327 1.00 2.62 C ATOM 2299 O GLU B 49 24.872 7.497 8.847 1.00 2.85 O ATOM 2300 CB GLU B 49 26.473 9.374 11.444 1.00 4.05 C ATOM 2301 CG GLU B 49 26.405 9.660 12.955 1.00 4.46 C ATOM 2302 CD GLU B 49 27.773 10.074 13.499 1.00 5.59 C ATOM 2303 OE1 GLU B 49 28.750 9.374 13.149 1.00 6.29 O ATOM 2304 OE2 GLU B 49 27.833 11.073 14.246 1.00 6.46 O ATOM 0 H GLU B 49 25.520 6.939 11.565 1.00 2.75 H new ATOM 0 HA GLU B 49 24.390 9.619 10.937 1.00 3.02 H new ATOM 0 HB2 GLU B 49 27.260 8.642 11.261 1.00 4.05 H new ATOM 0 HB3 GLU B 49 26.761 10.289 10.926 1.00 4.05 H new ATOM 0 HG2 GLU B 49 25.680 10.451 13.146 1.00 4.46 H new ATOM 0 HG3 GLU B 49 26.055 8.772 13.481 1.00 4.46 H new ATOM 2311 N SER B 50 26.026 9.384 8.564 1.00 2.94 N ATOM 2312 CA SER B 50 26.635 9.039 7.260 1.00 2.91 C ATOM 2313 C SER B 50 25.579 8.904 6.146 1.00 2.75 C ATOM 2314 O SER B 50 25.185 9.906 5.553 1.00 3.74 O ATOM 2315 CB SER B 50 27.550 7.807 7.435 1.00 2.96 C ATOM 2316 OG SER B 50 28.407 7.595 6.331 1.00 4.14 O ATOM 0 H SER B 50 26.190 10.353 8.836 1.00 2.94 H new ATOM 0 HA SER B 50 27.268 9.858 6.919 1.00 2.91 H new ATOM 0 HB2 SER B 50 28.151 7.932 8.336 1.00 2.96 H new ATOM 0 HB3 SER B 50 26.933 6.921 7.584 1.00 2.96 H new ATOM 0 HG SER B 50 28.964 6.805 6.496 1.00 4.14 H new ATOM 2322 N SER B 51 25.038 7.714 5.872 1.00 2.22 N ATOM 2323 CA SER B 51 23.957 7.517 4.891 1.00 2.09 C ATOM 2324 C SER B 51 22.655 8.244 5.258 1.00 1.79 C ATOM 2325 O SER B 51 21.757 8.345 4.429 1.00 2.00 O ATOM 2326 CB SER B 51 23.636 6.019 4.756 1.00 2.26 C ATOM 2327 OG SER B 51 24.796 5.197 4.769 1.00 2.43 O ATOM 0 H SER B 51 25.337 6.851 6.326 1.00 2.22 H new ATOM 0 HA SER B 51 24.326 7.937 3.955 1.00 2.09 H new ATOM 0 HB2 SER B 51 22.977 5.720 5.571 1.00 2.26 H new ATOM 0 HB3 SER B 51 23.090 5.853 3.827 1.00 2.26 H new ATOM 0 HG SER B 51 24.532 4.257 4.682 1.00 2.43 H new ATOM 2333 N ILE B 52 22.527 8.730 6.501 1.00 1.64 N ATOM 2334 CA ILE B 52 21.403 9.573 6.943 1.00 1.49 C ATOM 2335 C ILE B 52 21.757 11.064 7.025 1.00 1.34 C ATOM 2336 O ILE B 52 20.834 11.878 7.119 1.00 1.30 O ATOM 2337 CB ILE B 52 20.743 9.025 8.234 1.00 1.68 C ATOM 2338 CG1 ILE B 52 21.513 9.206 9.558 1.00 2.11 C ATOM 2339 CG2 ILE B 52 20.449 7.518 8.059 1.00 2.09 C ATOM 2340 CD1 ILE B 52 21.559 10.630 10.123 1.00 2.25 C ATOM 0 H ILE B 52 23.208 8.547 7.238 1.00 1.64 H new ATOM 0 HA ILE B 52 20.646 9.512 6.161 1.00 1.49 H new ATOM 0 HB ILE B 52 19.849 9.639 8.341 1.00 1.68 H new ATOM 0 HG12 ILE B 52 21.064 8.554 10.307 1.00 2.11 H new ATOM 0 HG13 ILE B 52 22.537 8.863 9.409 1.00 2.11 H new ATOM 0 HG21 ILE B 52 19.985 7.130 8.966 1.00 2.09 H new ATOM 0 HG22 ILE B 52 19.774 7.375 7.216 1.00 2.09 H new ATOM 0 HG23 ILE B 52 21.381 6.985 7.872 1.00 2.09 H new ATOM 0 HD11 ILE B 52 22.126 10.634 11.054 1.00 2.25 H new ATOM 0 HD12 ILE B 52 22.039 11.292 9.403 1.00 2.25 H new ATOM 0 HD13 ILE B 52 20.544 10.978 10.315 1.00 2.25 H new ATOM 2352 N ASP B 53 23.050 11.422 6.947 1.00 1.54 N ATOM 2353 CA ASP B 53 23.476 12.809 6.715 1.00 1.71 C ATOM 2354 C ASP B 53 22.926 13.235 5.365 1.00 1.35 C ATOM 2355 O ASP B 53 22.145 14.173 5.322 1.00 1.30 O ATOM 2356 CB ASP B 53 25.016 13.010 6.788 1.00 2.55 C ATOM 2357 CG ASP B 53 25.600 13.922 5.678 1.00 4.04 C ATOM 2358 OD1 ASP B 53 25.409 15.159 5.710 1.00 4.15 O ATOM 2359 OD2 ASP B 53 26.200 13.404 4.712 1.00 5.60 O ATOM 0 H ASP B 53 23.822 10.763 7.042 1.00 1.54 H new ATOM 0 HA ASP B 53 23.080 13.434 7.515 1.00 1.71 H new ATOM 0 HB2 ASP B 53 25.268 13.435 7.760 1.00 2.55 H new ATOM 0 HB3 ASP B 53 25.500 12.035 6.731 1.00 2.55 H new ATOM 2364 N ASP B 54 23.281 12.525 4.286 1.00 1.42 N ATOM 2365 CA ASP B 54 22.994 13.004 2.936 1.00 1.39 C ATOM 2366 C ASP B 54 21.506 13.260 2.694 1.00 1.13 C ATOM 2367 O ASP B 54 21.146 14.219 2.019 1.00 1.21 O ATOM 2368 CB ASP B 54 23.605 12.081 1.873 1.00 1.69 C ATOM 2369 CG ASP B 54 23.756 12.860 0.559 1.00 1.86 C ATOM 2370 OD1 ASP B 54 24.633 13.761 0.545 1.00 2.42 O ATOM 2371 OD2 ASP B 54 22.976 12.603 -0.380 1.00 2.54 O ATOM 0 H ASP B 54 23.762 11.627 4.325 1.00 1.42 H new ATOM 0 HA ASP B 54 23.477 13.977 2.843 1.00 1.39 H new ATOM 0 HB2 ASP B 54 24.576 11.714 2.206 1.00 1.69 H new ATOM 0 HB3 ASP B 54 22.969 11.209 1.722 1.00 1.69 H new ATOM 2376 N LEU B 55 20.642 12.505 3.375 1.00 0.87 N ATOM 2377 CA LEU B 55 19.202 12.712 3.394 1.00 0.70 C ATOM 2378 C LEU B 55 18.834 14.052 4.060 1.00 0.69 C ATOM 2379 O LEU B 55 18.278 14.927 3.396 1.00 0.73 O ATOM 2380 CB LEU B 55 18.540 11.491 4.064 1.00 0.67 C ATOM 2381 CG LEU B 55 18.931 10.130 3.458 1.00 0.75 C ATOM 2382 CD1 LEU B 55 18.197 9.013 4.222 1.00 0.79 C ATOM 2383 CD2 LEU B 55 18.615 10.062 1.958 1.00 0.91 C ATOM 0 H LEU B 55 20.938 11.711 3.943 1.00 0.87 H new ATOM 0 HA LEU B 55 18.819 12.789 2.377 1.00 0.70 H new ATOM 0 HB2 LEU B 55 18.800 11.490 5.122 1.00 0.67 H new ATOM 0 HB3 LEU B 55 17.458 11.603 4.002 1.00 0.67 H new ATOM 0 HG LEU B 55 20.008 9.999 3.559 1.00 0.75 H new ATOM 0 HD11 LEU B 55 18.468 8.045 3.800 1.00 0.79 H new ATOM 0 HD12 LEU B 55 18.483 9.043 5.273 1.00 0.79 H new ATOM 0 HD13 LEU B 55 17.120 9.159 4.134 1.00 0.79 H new ATOM 0 HD21 LEU B 55 18.906 9.086 1.569 1.00 0.91 H new ATOM 0 HD22 LEU B 55 17.546 10.210 1.804 1.00 0.91 H new ATOM 0 HD23 LEU B 55 19.168 10.841 1.434 1.00 0.91 H new ATOM 2395 N MET B 56 19.153 14.257 5.344 1.00 0.72 N ATOM 2396 CA MET B 56 18.796 15.499 6.068 1.00 0.81 C ATOM 2397 C MET B 56 19.518 16.730 5.501 1.00 0.88 C ATOM 2398 O MET B 56 18.937 17.807 5.347 1.00 1.02 O ATOM 2399 CB MET B 56 19.112 15.356 7.565 1.00 0.92 C ATOM 2400 CG MET B 56 18.285 14.264 8.239 1.00 1.02 C ATOM 2401 SD MET B 56 18.182 14.452 10.034 1.00 2.20 S ATOM 2402 CE MET B 56 16.386 14.529 10.147 1.00 1.48 C ATOM 0 H MET B 56 19.661 13.579 5.912 1.00 0.72 H new ATOM 0 HA MET B 56 17.725 15.651 5.932 1.00 0.81 H new ATOM 0 HB2 MET B 56 20.172 15.132 7.689 1.00 0.92 H new ATOM 0 HB3 MET B 56 18.926 16.307 8.064 1.00 0.92 H new ATOM 0 HG2 MET B 56 17.278 14.270 7.821 1.00 1.02 H new ATOM 0 HG3 MET B 56 18.720 13.292 8.007 1.00 1.02 H new ATOM 0 HE1 MET B 56 16.098 14.840 11.151 1.00 1.48 H new ATOM 0 HE2 MET B 56 16.006 15.248 9.421 1.00 1.48 H new ATOM 0 HE3 MET B 56 15.966 13.545 9.937 1.00 1.48 H new ATOM 2412 N LYS B 57 20.778 16.553 5.126 1.00 0.87 N ATOM 2413 CA LYS B 57 21.614 17.517 4.425 1.00 0.99 C ATOM 2414 C LYS B 57 21.074 17.839 3.021 1.00 0.99 C ATOM 2415 O LYS B 57 21.204 18.990 2.611 1.00 1.15 O ATOM 2416 CB LYS B 57 23.040 16.948 4.476 1.00 1.18 C ATOM 2417 CG LYS B 57 24.183 17.836 3.964 1.00 1.24 C ATOM 2418 CD LYS B 57 24.509 17.664 2.474 1.00 3.10 C ATOM 2419 CE LYS B 57 24.666 16.208 1.997 1.00 4.94 C ATOM 2420 NZ LYS B 57 25.592 15.373 2.810 1.00 5.93 N ATOM 0 H LYS B 57 21.272 15.681 5.314 1.00 0.87 H new ATOM 0 HA LYS B 57 21.610 18.498 4.899 1.00 0.99 H new ATOM 0 HB2 LYS B 57 23.259 16.684 5.511 1.00 1.18 H new ATOM 0 HB3 LYS B 57 23.052 16.022 3.901 1.00 1.18 H new ATOM 0 HG2 LYS B 57 23.925 18.879 4.148 1.00 1.24 H new ATOM 0 HG3 LYS B 57 25.080 17.622 4.545 1.00 1.24 H new ATOM 0 HD2 LYS B 57 23.720 18.137 1.890 1.00 3.10 H new ATOM 0 HD3 LYS B 57 25.432 18.201 2.257 1.00 3.10 H new ATOM 0 HE2 LYS B 57 23.684 15.735 1.994 1.00 4.94 H new ATOM 0 HE3 LYS B 57 25.019 16.216 0.966 1.00 4.94 H new ATOM 0 HZ1 LYS B 57 25.530 14.383 2.499 1.00 5.93 H new ATOM 0 HZ2 LYS B 57 26.567 15.714 2.686 1.00 5.93 H new ATOM 0 HZ3 LYS B 57 25.327 15.438 3.814 1.00 5.93 H new ATOM 2434 N SER B 58 20.407 16.920 2.312 1.00 0.89 N ATOM 2435 CA SER B 58 19.658 17.198 1.069 1.00 0.99 C ATOM 2436 C SER B 58 18.348 17.981 1.298 1.00 1.04 C ATOM 2437 O SER B 58 17.955 18.794 0.455 1.00 1.33 O ATOM 2438 CB SER B 58 19.377 15.882 0.329 1.00 1.04 C ATOM 2439 OG SER B 58 18.601 16.077 -0.838 1.00 2.09 O ATOM 0 H SER B 58 20.369 15.939 2.588 1.00 0.89 H new ATOM 0 HA SER B 58 20.289 17.844 0.459 1.00 0.99 H new ATOM 0 HB2 SER B 58 20.322 15.410 0.060 1.00 1.04 H new ATOM 0 HB3 SER B 58 18.857 15.196 0.998 1.00 1.04 H new ATOM 0 HG SER B 58 18.448 15.214 -1.277 1.00 2.09 H new ATOM 2445 N LEU B 59 17.674 17.820 2.447 1.00 0.88 N ATOM 2446 CA LEU B 59 16.553 18.705 2.801 1.00 0.98 C ATOM 2447 C LEU B 59 17.048 20.151 2.921 1.00 1.04 C ATOM 2448 O LEU B 59 16.546 21.048 2.238 1.00 1.26 O ATOM 2449 CB LEU B 59 15.826 18.231 4.076 1.00 1.02 C ATOM 2450 CG LEU B 59 15.241 16.806 3.998 1.00 1.01 C ATOM 2451 CD1 LEU B 59 14.524 16.485 5.316 1.00 1.12 C ATOM 2452 CD2 LEU B 59 14.274 16.609 2.822 1.00 1.05 C ATOM 0 H LEU B 59 17.881 17.098 3.137 1.00 0.88 H new ATOM 0 HA LEU B 59 15.814 18.664 2.001 1.00 0.98 H new ATOM 0 HB2 LEU B 59 16.523 18.277 4.913 1.00 1.02 H new ATOM 0 HB3 LEU B 59 15.018 18.928 4.296 1.00 1.02 H new ATOM 0 HG LEU B 59 16.075 16.125 3.831 1.00 1.01 H new ATOM 0 HD11 LEU B 59 14.108 15.479 5.268 1.00 1.12 H new ATOM 0 HD12 LEU B 59 15.234 16.545 6.141 1.00 1.12 H new ATOM 0 HD13 LEU B 59 13.720 17.203 5.477 1.00 1.12 H new ATOM 0 HD21 LEU B 59 13.900 15.585 2.826 1.00 1.05 H new ATOM 0 HD22 LEU B 59 13.438 17.302 2.919 1.00 1.05 H new ATOM 0 HD23 LEU B 59 14.797 16.800 1.885 1.00 1.05 H new ATOM 2464 N ASP B 60 18.103 20.340 3.710 1.00 0.98 N ATOM 2465 CA ASP B 60 18.750 21.621 3.998 1.00 1.08 C ATOM 2466 C ASP B 60 19.322 22.360 2.768 1.00 1.10 C ATOM 2467 O ASP B 60 19.628 23.542 2.871 1.00 1.36 O ATOM 2468 CB ASP B 60 19.832 21.349 5.058 1.00 1.19 C ATOM 2469 CG ASP B 60 20.636 22.593 5.442 1.00 1.92 C ATOM 2470 OD1 ASP B 60 20.068 23.456 6.154 1.00 2.55 O ATOM 2471 OD2 ASP B 60 21.812 22.649 5.006 1.00 3.29 O ATOM 0 H ASP B 60 18.555 19.563 4.192 1.00 0.98 H new ATOM 0 HA ASP B 60 17.990 22.311 4.364 1.00 1.08 H new ATOM 0 HB2 ASP B 60 19.360 20.941 5.952 1.00 1.19 H new ATOM 0 HB3 ASP B 60 20.514 20.587 4.682 1.00 1.19 H new ATOM 2476 N LYS B 61 19.494 21.726 1.595 1.00 1.06 N ATOM 2477 CA LYS B 61 19.932 22.481 0.399 1.00 1.28 C ATOM 2478 C LYS B 61 18.834 23.347 -0.232 1.00 1.22 C ATOM 2479 O LYS B 61 19.159 24.389 -0.791 1.00 1.55 O ATOM 2480 CB LYS B 61 20.576 21.584 -0.675 1.00 1.63 C ATOM 2481 CG LYS B 61 21.734 20.659 -0.272 1.00 2.15 C ATOM 2482 CD LYS B 61 23.060 21.316 0.160 1.00 3.24 C ATOM 2483 CE LYS B 61 23.005 22.253 1.379 1.00 5.03 C ATOM 2484 NZ LYS B 61 22.442 21.601 2.585 1.00 6.32 N ATOM 0 H LYS B 61 19.344 20.728 1.446 1.00 1.06 H new ATOM 0 HA LYS B 61 20.694 23.158 0.785 1.00 1.28 H new ATOM 0 HB2 LYS B 61 19.789 20.961 -1.099 1.00 1.63 H new ATOM 0 HB3 LYS B 61 20.935 22.232 -1.474 1.00 1.63 H new ATOM 0 HG2 LYS B 61 21.390 20.028 0.548 1.00 2.15 H new ATOM 0 HG3 LYS B 61 21.945 20.000 -1.114 1.00 2.15 H new ATOM 0 HD2 LYS B 61 23.778 20.524 0.372 1.00 3.24 H new ATOM 0 HD3 LYS B 61 23.450 21.882 -0.686 1.00 3.24 H new ATOM 0 HE2 LYS B 61 24.010 22.610 1.602 1.00 5.03 H new ATOM 0 HE3 LYS B 61 22.404 23.128 1.131 1.00 5.03 H new ATOM 0 HZ1 LYS B 61 22.069 22.327 3.230 1.00 6.32 H new ATOM 0 HZ2 LYS B 61 21.674 20.958 2.305 1.00 6.32 H new ATOM 0 HZ3 LYS B 61 23.188 21.060 3.067 1.00 6.32 H new ATOM 2498 N ASN B 62 17.566 22.938 -0.136 1.00 1.10 N ATOM 2499 CA ASN B 62 16.458 23.660 -0.781 1.00 1.42 C ATOM 2500 C ASN B 62 15.546 24.311 0.273 1.00 1.40 C ATOM 2501 O ASN B 62 15.167 25.467 0.129 1.00 2.12 O ATOM 2502 CB ASN B 62 15.688 22.717 -1.720 1.00 1.71 C ATOM 2503 CG ASN B 62 16.501 22.157 -2.891 1.00 1.92 C ATOM 2504 OD1 ASN B 62 17.719 22.213 -2.956 1.00 1.89 O ATOM 2505 ND2 ASN B 62 15.829 21.564 -3.856 1.00 3.09 N ATOM 0 H ASN B 62 17.277 22.109 0.383 1.00 1.10 H new ATOM 0 HA ASN B 62 16.863 24.469 -1.390 1.00 1.42 H new ATOM 0 HB2 ASN B 62 15.302 21.883 -1.134 1.00 1.71 H new ATOM 0 HB3 ASN B 62 14.826 23.252 -2.119 1.00 1.71 H new ATOM 0 HD21 ASN B 62 16.326 21.157 -4.648 1.00 3.09 H new ATOM 0 HD22 ASN B 62 14.811 21.512 -3.811 1.00 3.09 H new ATOM 2512 N SER B 63 15.292 23.608 1.385 1.00 1.13 N ATOM 2513 CA SER B 63 15.197 24.181 2.733 1.00 0.93 C ATOM 2514 C SER B 63 13.887 24.910 3.041 1.00 0.86 C ATOM 2515 O SER B 63 13.061 24.402 3.793 1.00 1.08 O ATOM 2516 CB SER B 63 16.419 25.073 3.004 1.00 1.44 C ATOM 2517 OG SER B 63 16.475 25.446 4.360 1.00 1.67 O ATOM 0 H SER B 63 15.143 22.599 1.371 1.00 1.13 H new ATOM 0 HA SER B 63 15.192 23.335 3.420 1.00 0.93 H new ATOM 0 HB2 SER B 63 17.331 24.542 2.730 1.00 1.44 H new ATOM 0 HB3 SER B 63 16.370 25.964 2.379 1.00 1.44 H new ATOM 0 HG SER B 63 16.232 26.391 4.450 1.00 1.67 H new ATOM 2523 N ASP B 64 13.667 26.089 2.474 1.00 0.91 N ATOM 2524 CA ASP B 64 12.622 27.027 2.899 1.00 1.16 C ATOM 2525 C ASP B 64 11.560 27.048 1.791 1.00 1.21 C ATOM 2526 O ASP B 64 11.205 28.058 1.188 1.00 1.88 O ATOM 2527 CB ASP B 64 13.267 28.380 3.267 1.00 1.64 C ATOM 2528 CG ASP B 64 14.100 28.325 4.569 1.00 2.65 C ATOM 2529 OD1 ASP B 64 14.973 27.426 4.702 1.00 3.27 O ATOM 2530 OD2 ASP B 64 13.895 29.194 5.441 1.00 3.60 O ATOM 0 H ASP B 64 14.219 26.433 1.688 1.00 0.91 H new ATOM 0 HA ASP B 64 12.105 26.731 3.812 1.00 1.16 H new ATOM 0 HB2 ASP B 64 13.908 28.704 2.447 1.00 1.64 H new ATOM 0 HB3 ASP B 64 12.484 29.131 3.376 1.00 1.64 H new ATOM 2535 N GLN B 65 11.157 25.821 1.462 1.00 1.17 N ATOM 2536 CA GLN B 65 10.298 25.420 0.356 1.00 1.09 C ATOM 2537 C GLN B 65 9.400 24.274 0.821 1.00 0.84 C ATOM 2538 O GLN B 65 9.773 23.544 1.743 1.00 0.83 O ATOM 2539 CB GLN B 65 11.186 24.849 -0.754 1.00 1.22 C ATOM 2540 CG GLN B 65 12.226 25.809 -1.357 1.00 1.98 C ATOM 2541 CD GLN B 65 11.617 26.864 -2.272 1.00 3.47 C ATOM 2542 OE1 GLN B 65 11.569 26.697 -3.478 1.00 3.99 O ATOM 2543 NE2 GLN B 65 11.135 27.974 -1.755 1.00 5.03 N ATOM 0 H GLN B 65 11.451 25.014 2.013 1.00 1.17 H new ATOM 0 HA GLN B 65 9.712 26.273 0.015 1.00 1.09 H new ATOM 0 HB2 GLN B 65 11.712 23.980 -0.358 1.00 1.22 H new ATOM 0 HB3 GLN B 65 10.542 24.493 -1.558 1.00 1.22 H new ATOM 0 HG2 GLN B 65 12.763 26.306 -0.549 1.00 1.98 H new ATOM 0 HG3 GLN B 65 12.960 25.231 -1.919 1.00 1.98 H new ATOM 0 HE21 GLN B 65 11.170 28.124 -0.747 1.00 5.03 H new ATOM 0 HE22 GLN B 65 10.726 28.684 -2.363 1.00 5.03 H new ATOM 2552 N GLU B 66 8.266 24.066 0.157 1.00 0.80 N ATOM 2553 CA GLU B 66 7.282 23.074 0.576 1.00 0.75 C ATOM 2554 C GLU B 66 7.499 21.684 -0.031 1.00 0.77 C ATOM 2555 O GLU B 66 7.929 21.515 -1.172 1.00 1.02 O ATOM 2556 CB GLU B 66 5.837 23.529 0.311 1.00 0.96 C ATOM 2557 CG GLU B 66 5.530 24.983 0.699 1.00 1.06 C ATOM 2558 CD GLU B 66 5.709 25.925 -0.495 1.00 2.20 C ATOM 2559 OE1 GLU B 66 6.880 26.154 -0.887 1.00 3.63 O ATOM 2560 OE2 GLU B 66 4.665 26.375 -1.015 1.00 2.72 O ATOM 0 H GLU B 66 8.004 24.579 -0.685 1.00 0.80 H new ATOM 0 HA GLU B 66 7.437 22.988 1.651 1.00 0.75 H new ATOM 0 HB2 GLU B 66 5.620 23.399 -0.749 1.00 0.96 H new ATOM 0 HB3 GLU B 66 5.160 22.873 0.858 1.00 0.96 H new ATOM 0 HG2 GLU B 66 4.508 25.055 1.072 1.00 1.06 H new ATOM 0 HG3 GLU B 66 6.188 25.292 1.511 1.00 1.06 H new ATOM 2567 N ILE B 67 7.160 20.671 0.763 1.00 0.67 N ATOM 2568 CA ILE B 67 7.207 19.243 0.433 1.00 0.67 C ATOM 2569 C ILE B 67 5.812 18.614 0.564 1.00 0.65 C ATOM 2570 O ILE B 67 5.098 18.925 1.516 1.00 0.69 O ATOM 2571 CB ILE B 67 8.245 18.576 1.375 1.00 0.79 C ATOM 2572 CG1 ILE B 67 9.644 18.693 0.729 1.00 1.34 C ATOM 2573 CG2 ILE B 67 7.884 17.122 1.693 1.00 1.79 C ATOM 2574 CD1 ILE B 67 10.778 18.073 1.556 1.00 1.48 C ATOM 0 H ILE B 67 6.824 20.832 1.713 1.00 0.67 H new ATOM 0 HA ILE B 67 7.514 19.091 -0.602 1.00 0.67 H new ATOM 0 HB ILE B 67 8.244 19.096 2.333 1.00 0.79 H new ATOM 0 HG12 ILE B 67 9.620 18.213 -0.250 1.00 1.34 H new ATOM 0 HG13 ILE B 67 9.867 19.747 0.562 1.00 1.34 H new ATOM 0 HG21 ILE B 67 8.638 16.696 2.355 1.00 1.79 H new ATOM 0 HG22 ILE B 67 6.911 17.087 2.182 1.00 1.79 H new ATOM 0 HG23 ILE B 67 7.846 16.546 0.768 1.00 1.79 H new ATOM 0 HD11 ILE B 67 11.724 18.200 1.029 1.00 1.48 H new ATOM 0 HD12 ILE B 67 10.834 18.568 2.526 1.00 1.48 H new ATOM 0 HD13 ILE B 67 10.583 17.010 1.701 1.00 1.48 H new ATOM 2586 N ASP B 68 5.474 17.670 -0.322 1.00 0.73 N ATOM 2587 CA ASP B 68 4.312 16.778 -0.193 1.00 0.77 C ATOM 2588 C ASP B 68 4.619 15.492 0.600 1.00 0.75 C ATOM 2589 O ASP B 68 5.767 15.054 0.738 1.00 0.99 O ATOM 2590 CB ASP B 68 3.700 16.470 -1.585 1.00 0.95 C ATOM 2591 CG ASP B 68 4.015 15.069 -2.149 1.00 1.14 C ATOM 2592 OD1 ASP B 68 3.234 14.133 -1.862 1.00 1.73 O ATOM 2593 OD2 ASP B 68 5.047 14.907 -2.833 1.00 2.25 O ATOM 0 H ASP B 68 6.014 17.500 -1.171 1.00 0.73 H new ATOM 0 HA ASP B 68 3.567 17.312 0.397 1.00 0.77 H new ATOM 0 HB2 ASP B 68 2.618 16.583 -1.521 1.00 0.95 H new ATOM 0 HB3 ASP B 68 4.057 17.217 -2.294 1.00 0.95 H new ATOM 2598 N PHE B 69 3.540 14.853 1.068 1.00 0.65 N ATOM 2599 CA PHE B 69 3.523 13.567 1.767 1.00 0.64 C ATOM 2600 C PHE B 69 4.467 12.479 1.200 1.00 0.64 C ATOM 2601 O PHE B 69 4.897 11.603 1.954 1.00 0.69 O ATOM 2602 CB PHE B 69 2.070 13.054 1.744 1.00 0.76 C ATOM 2603 CG PHE B 69 1.261 13.318 2.997 1.00 1.18 C ATOM 2604 CD1 PHE B 69 1.471 12.512 4.132 1.00 2.37 C ATOM 2605 CD2 PHE B 69 0.264 14.311 3.019 1.00 2.63 C ATOM 2606 CE1 PHE B 69 0.714 12.717 5.297 1.00 3.14 C ATOM 2607 CE2 PHE B 69 -0.509 14.499 4.180 1.00 3.45 C ATOM 2608 CZ PHE B 69 -0.278 13.714 5.317 1.00 3.27 C ATOM 0 H PHE B 69 2.604 15.243 0.962 1.00 0.65 H new ATOM 0 HA PHE B 69 3.900 13.751 2.773 1.00 0.64 H new ATOM 0 HB2 PHE B 69 1.556 13.511 0.899 1.00 0.76 H new ATOM 0 HB3 PHE B 69 2.086 11.979 1.564 1.00 0.76 H new ATOM 0 HD1 PHE B 69 2.218 11.732 4.107 1.00 2.37 H new ATOM 0 HD2 PHE B 69 0.093 14.926 2.148 1.00 2.63 H new ATOM 0 HE1 PHE B 69 0.893 12.112 6.174 1.00 3.14 H new ATOM 0 HE2 PHE B 69 -1.283 15.252 4.194 1.00 3.45 H new ATOM 0 HZ PHE B 69 -0.863 13.875 6.211 1.00 3.27 H new ATOM 2618 N LYS B 70 4.793 12.487 -0.095 1.00 0.65 N ATOM 2619 CA LYS B 70 5.597 11.469 -0.756 1.00 0.70 C ATOM 2620 C LYS B 70 7.070 11.549 -0.372 1.00 0.67 C ATOM 2621 O LYS B 70 7.672 10.507 -0.094 1.00 0.68 O ATOM 2622 CB LYS B 70 5.466 11.706 -2.255 1.00 0.82 C ATOM 2623 CG LYS B 70 6.015 10.561 -3.093 1.00 1.66 C ATOM 2624 CD LYS B 70 5.850 10.925 -4.568 1.00 2.29 C ATOM 2625 CE LYS B 70 6.603 9.877 -5.376 1.00 3.67 C ATOM 2626 NZ LYS B 70 6.538 10.149 -6.829 1.00 4.59 N ATOM 0 H LYS B 70 4.492 13.228 -0.728 1.00 0.65 H new ATOM 0 HA LYS B 70 5.241 10.484 -0.454 1.00 0.70 H new ATOM 0 HB2 LYS B 70 4.415 11.857 -2.502 1.00 0.82 H new ATOM 0 HB3 LYS B 70 5.991 12.624 -2.518 1.00 0.82 H new ATOM 0 HG2 LYS B 70 7.066 10.389 -2.859 1.00 1.66 H new ATOM 0 HG3 LYS B 70 5.483 9.637 -2.868 1.00 1.66 H new ATOM 0 HD2 LYS B 70 4.796 10.941 -4.845 1.00 2.29 H new ATOM 0 HD3 LYS B 70 6.246 11.921 -4.765 1.00 2.29 H new ATOM 0 HE2 LYS B 70 7.645 9.853 -5.057 1.00 3.67 H new ATOM 0 HE3 LYS B 70 6.184 8.891 -5.172 1.00 3.67 H new ATOM 0 HZ1 LYS B 70 7.063 9.413 -7.344 1.00 4.59 H new ATOM 0 HZ2 LYS B 70 5.545 10.147 -7.138 1.00 4.59 H new ATOM 0 HZ3 LYS B 70 6.961 11.078 -7.027 1.00 4.59 H new ATOM 2640 N GLU B 71 7.650 12.756 -0.351 1.00 0.68 N ATOM 2641 CA GLU B 71 9.027 12.907 0.114 1.00 0.68 C ATOM 2642 C GLU B 71 9.098 12.516 1.589 1.00 0.64 C ATOM 2643 O GLU B 71 10.023 11.838 2.013 1.00 0.71 O ATOM 2644 CB GLU B 71 9.600 14.311 -0.063 1.00 0.86 C ATOM 2645 CG GLU B 71 9.718 14.770 -1.522 1.00 1.03 C ATOM 2646 CD GLU B 71 11.125 15.309 -1.799 1.00 1.61 C ATOM 2647 OE1 GLU B 71 11.484 16.331 -1.177 1.00 2.49 O ATOM 2648 OE2 GLU B 71 11.872 14.692 -2.588 1.00 2.51 O ATOM 0 H GLU B 71 7.197 13.621 -0.644 1.00 0.68 H new ATOM 0 HA GLU B 71 9.636 12.251 -0.508 1.00 0.68 H new ATOM 0 HB2 GLU B 71 8.970 15.018 0.477 1.00 0.86 H new ATOM 0 HB3 GLU B 71 10.587 14.348 0.397 1.00 0.86 H new ATOM 0 HG2 GLU B 71 9.502 13.937 -2.191 1.00 1.03 H new ATOM 0 HG3 GLU B 71 8.978 15.543 -1.728 1.00 1.03 H new ATOM 2655 N TYR B 72 8.063 12.853 2.354 1.00 0.59 N ATOM 2656 CA TYR B 72 7.973 12.485 3.773 1.00 0.58 C ATOM 2657 C TYR B 72 7.948 10.957 3.965 1.00 0.58 C ATOM 2658 O TYR B 72 8.675 10.421 4.804 1.00 0.65 O ATOM 2659 CB TYR B 72 6.751 13.213 4.366 1.00 0.57 C ATOM 2660 CG TYR B 72 6.105 12.631 5.610 1.00 0.56 C ATOM 2661 CD1 TYR B 72 6.711 12.772 6.872 1.00 1.62 C ATOM 2662 CD2 TYR B 72 4.822 12.052 5.523 1.00 1.61 C ATOM 2663 CE1 TYR B 72 6.029 12.375 8.038 1.00 1.60 C ATOM 2664 CE2 TYR B 72 4.130 11.664 6.687 1.00 1.80 C ATOM 2665 CZ TYR B 72 4.733 11.830 7.955 1.00 0.92 C ATOM 2666 OH TYR B 72 4.069 11.515 9.100 1.00 1.18 O ATOM 0 H TYR B 72 7.263 13.387 2.014 1.00 0.59 H new ATOM 0 HA TYR B 72 8.862 12.805 4.316 1.00 0.58 H new ATOM 0 HB2 TYR B 72 7.051 14.236 4.594 1.00 0.57 H new ATOM 0 HB3 TYR B 72 5.988 13.270 3.590 1.00 0.57 H new ATOM 0 HD1 TYR B 72 7.705 13.187 6.947 1.00 1.62 H new ATOM 0 HD2 TYR B 72 4.366 11.905 4.555 1.00 1.61 H new ATOM 0 HE1 TYR B 72 6.503 12.489 9.002 1.00 1.60 H new ATOM 0 HE2 TYR B 72 3.140 11.240 6.611 1.00 1.80 H new ATOM 0 HH TYR B 72 3.104 11.604 8.954 1.00 1.18 H new ATOM 2676 N SER B 73 7.175 10.232 3.157 1.00 0.59 N ATOM 2677 CA SER B 73 7.096 8.775 3.225 1.00 0.65 C ATOM 2678 C SER B 73 8.316 8.060 2.639 1.00 0.66 C ATOM 2679 O SER B 73 8.794 7.137 3.302 1.00 0.70 O ATOM 2680 CB SER B 73 5.777 8.281 2.634 1.00 0.73 C ATOM 2681 OG SER B 73 5.664 8.516 1.249 1.00 1.32 O ATOM 0 H SER B 73 6.584 10.642 2.434 1.00 0.59 H new ATOM 0 HA SER B 73 7.112 8.507 4.281 1.00 0.65 H new ATOM 0 HB2 SER B 73 5.680 7.212 2.823 1.00 0.73 H new ATOM 0 HB3 SER B 73 4.950 8.772 3.147 1.00 0.73 H new ATOM 0 HG SER B 73 4.802 8.178 0.929 1.00 1.32 H new ATOM 2687 N VAL B 74 8.904 8.477 1.503 1.00 0.65 N ATOM 2688 CA VAL B 74 10.180 7.888 1.059 1.00 0.70 C ATOM 2689 C VAL B 74 11.309 8.206 2.032 1.00 0.68 C ATOM 2690 O VAL B 74 12.152 7.345 2.217 1.00 0.72 O ATOM 2691 CB VAL B 74 10.658 8.260 -0.358 1.00 0.80 C ATOM 2692 CG1 VAL B 74 9.648 7.835 -1.418 1.00 0.87 C ATOM 2693 CG2 VAL B 74 11.052 9.724 -0.550 1.00 0.79 C ATOM 0 H VAL B 74 8.528 9.200 0.890 1.00 0.65 H new ATOM 0 HA VAL B 74 9.948 6.823 1.034 1.00 0.70 H new ATOM 0 HB VAL B 74 11.581 7.695 -0.485 1.00 0.80 H new ATOM 0 HG11 VAL B 74 10.018 8.113 -2.405 1.00 0.87 H new ATOM 0 HG12 VAL B 74 9.507 6.755 -1.374 1.00 0.87 H new ATOM 0 HG13 VAL B 74 8.696 8.333 -1.234 1.00 0.87 H new ATOM 0 HG21 VAL B 74 11.373 9.882 -1.579 1.00 0.79 H new ATOM 0 HG22 VAL B 74 10.195 10.363 -0.335 1.00 0.79 H new ATOM 0 HG23 VAL B 74 11.869 9.973 0.127 1.00 0.79 H new ATOM 2703 N PHE B 75 11.331 9.378 2.679 1.00 0.64 N ATOM 2704 CA PHE B 75 12.388 9.735 3.619 1.00 0.63 C ATOM 2705 C PHE B 75 12.312 8.866 4.869 1.00 0.63 C ATOM 2706 O PHE B 75 13.312 8.260 5.239 1.00 0.64 O ATOM 2707 CB PHE B 75 12.303 11.221 3.981 1.00 0.62 C ATOM 2708 CG PHE B 75 13.563 11.769 4.611 1.00 0.58 C ATOM 2709 CD1 PHE B 75 14.030 11.320 5.862 1.00 1.77 C ATOM 2710 CD2 PHE B 75 14.291 12.739 3.903 1.00 1.63 C ATOM 2711 CE1 PHE B 75 15.219 11.843 6.403 1.00 1.77 C ATOM 2712 CE2 PHE B 75 15.478 13.248 4.438 1.00 1.65 C ATOM 2713 CZ PHE B 75 15.941 12.809 5.689 1.00 0.63 C ATOM 0 H PHE B 75 10.618 10.098 2.563 1.00 0.64 H new ATOM 0 HA PHE B 75 13.351 9.555 3.141 1.00 0.63 H new ATOM 0 HB2 PHE B 75 12.080 11.793 3.080 1.00 0.62 H new ATOM 0 HB3 PHE B 75 11.470 11.371 4.668 1.00 0.62 H new ATOM 0 HD1 PHE B 75 13.474 10.572 6.407 1.00 1.77 H new ATOM 0 HD2 PHE B 75 13.934 13.091 2.946 1.00 1.63 H new ATOM 0 HE1 PHE B 75 15.574 11.502 7.364 1.00 1.77 H new ATOM 0 HE2 PHE B 75 16.043 13.984 3.885 1.00 1.65 H new ATOM 0 HZ PHE B 75 16.853 13.216 6.101 1.00 0.63 H new ATOM 2723 N LEU B 76 11.134 8.746 5.501 1.00 0.66 N ATOM 2724 CA LEU B 76 10.939 7.853 6.653 1.00 0.69 C ATOM 2725 C LEU B 76 11.305 6.401 6.312 1.00 0.75 C ATOM 2726 O LEU B 76 11.980 5.739 7.102 1.00 0.79 O ATOM 2727 CB LEU B 76 9.479 7.921 7.128 1.00 0.67 C ATOM 2728 CG LEU B 76 9.083 9.212 7.864 1.00 0.64 C ATOM 2729 CD1 LEU B 76 7.561 9.224 8.026 1.00 1.10 C ATOM 2730 CD2 LEU B 76 9.765 9.329 9.236 1.00 1.08 C ATOM 0 H LEU B 76 10.296 9.261 5.230 1.00 0.66 H new ATOM 0 HA LEU B 76 11.602 8.190 7.450 1.00 0.69 H new ATOM 0 HB2 LEU B 76 8.827 7.802 6.262 1.00 0.67 H new ATOM 0 HB3 LEU B 76 9.290 7.074 7.788 1.00 0.67 H new ATOM 0 HG LEU B 76 9.415 10.067 7.275 1.00 0.64 H new ATOM 0 HD11 LEU B 76 7.258 10.132 8.546 1.00 1.10 H new ATOM 0 HD12 LEU B 76 7.090 9.194 7.043 1.00 1.10 H new ATOM 0 HD13 LEU B 76 7.250 8.354 8.604 1.00 1.10 H new ATOM 0 HD21 LEU B 76 9.455 10.256 9.718 1.00 1.08 H new ATOM 0 HD22 LEU B 76 9.477 8.482 9.859 1.00 1.08 H new ATOM 0 HD23 LEU B 76 10.847 9.332 9.105 1.00 1.08 H new ATOM 2742 N THR B 77 10.915 5.950 5.112 1.00 0.77 N ATOM 2743 CA THR B 77 11.240 4.624 4.568 1.00 0.83 C ATOM 2744 C THR B 77 12.746 4.465 4.371 1.00 0.90 C ATOM 2745 O THR B 77 13.311 3.486 4.835 1.00 0.97 O ATOM 2746 CB THR B 77 10.467 4.387 3.267 1.00 0.84 C ATOM 2747 OG1 THR B 77 9.097 4.514 3.535 1.00 0.83 O ATOM 2748 CG2 THR B 77 10.704 2.981 2.716 1.00 0.89 C ATOM 0 H THR B 77 10.350 6.512 4.476 1.00 0.77 H new ATOM 0 HA THR B 77 10.932 3.864 5.286 1.00 0.83 H new ATOM 0 HB THR B 77 10.810 5.116 2.532 1.00 0.84 H new ATOM 0 HG1 THR B 77 8.877 5.459 3.673 1.00 0.83 H new ATOM 0 HG21 THR B 77 10.139 2.852 1.793 1.00 0.89 H new ATOM 0 HG22 THR B 77 11.766 2.844 2.513 1.00 0.89 H new ATOM 0 HG23 THR B 77 10.376 2.243 3.448 1.00 0.89 H new ATOM 2756 N MET B 78 13.410 5.431 3.740 1.00 0.90 N ATOM 2757 CA MET B 78 14.859 5.455 3.497 1.00 0.95 C ATOM 2758 C MET B 78 15.657 5.478 4.803 1.00 0.99 C ATOM 2759 O MET B 78 16.687 4.822 4.913 1.00 1.13 O ATOM 2760 CB MET B 78 15.186 6.701 2.664 1.00 0.94 C ATOM 2761 CG MET B 78 16.577 6.662 2.038 1.00 0.98 C ATOM 2762 SD MET B 78 16.584 5.966 0.368 1.00 1.67 S ATOM 2763 CE MET B 78 16.097 7.483 -0.498 1.00 1.94 C ATOM 0 H MET B 78 12.938 6.254 3.367 1.00 0.90 H new ATOM 0 HA MET B 78 15.141 4.547 2.964 1.00 0.95 H new ATOM 0 HB2 MET B 78 14.443 6.806 1.874 1.00 0.94 H new ATOM 0 HB3 MET B 78 15.105 7.584 3.298 1.00 0.94 H new ATOM 0 HG2 MET B 78 16.983 7.673 2.006 1.00 0.98 H new ATOM 0 HG3 MET B 78 17.239 6.073 2.673 1.00 0.98 H new ATOM 0 HE1 MET B 78 16.036 7.287 -1.569 1.00 1.94 H new ATOM 0 HE2 MET B 78 15.124 7.814 -0.134 1.00 1.94 H new ATOM 0 HE3 MET B 78 16.837 8.261 -0.313 1.00 1.94 H new ATOM 2773 N LEU B 79 15.177 6.220 5.800 1.00 0.91 N ATOM 2774 CA LEU B 79 15.794 6.313 7.118 1.00 0.98 C ATOM 2775 C LEU B 79 15.666 5.000 7.882 1.00 1.03 C ATOM 2776 O LEU B 79 16.669 4.503 8.379 1.00 1.09 O ATOM 2777 CB LEU B 79 15.167 7.502 7.864 1.00 0.96 C ATOM 2778 CG LEU B 79 15.742 7.725 9.273 1.00 1.15 C ATOM 2779 CD1 LEU B 79 17.275 7.837 9.233 1.00 1.45 C ATOM 2780 CD2 LEU B 79 15.122 8.993 9.861 1.00 2.20 C ATOM 0 H LEU B 79 14.332 6.784 5.710 1.00 0.91 H new ATOM 0 HA LEU B 79 16.865 6.491 7.021 1.00 0.98 H new ATOM 0 HB2 LEU B 79 15.314 8.407 7.274 1.00 0.96 H new ATOM 0 HB3 LEU B 79 14.091 7.344 7.942 1.00 0.96 H new ATOM 0 HG LEU B 79 15.496 6.870 9.903 1.00 1.15 H new ATOM 0 HD11 LEU B 79 17.655 7.994 10.243 1.00 1.45 H new ATOM 0 HD12 LEU B 79 17.696 6.918 8.826 1.00 1.45 H new ATOM 0 HD13 LEU B 79 17.562 8.678 8.602 1.00 1.45 H new ATOM 0 HD21 LEU B 79 15.521 9.163 10.861 1.00 2.20 H new ATOM 0 HD22 LEU B 79 15.362 9.845 9.224 1.00 2.20 H new ATOM 0 HD23 LEU B 79 14.040 8.876 9.917 1.00 2.20 H new ATOM 2792 N CYS B 80 14.481 4.389 7.900 1.00 1.02 N ATOM 2793 CA CYS B 80 14.293 3.024 8.392 1.00 1.04 C ATOM 2794 C CYS B 80 15.227 2.037 7.667 1.00 1.16 C ATOM 2795 O CYS B 80 15.893 1.235 8.309 1.00 1.27 O ATOM 2796 CB CYS B 80 12.801 2.674 8.240 1.00 1.00 C ATOM 2797 SG CYS B 80 12.411 1.193 9.217 1.00 1.16 S ATOM 0 H CYS B 80 13.621 4.829 7.572 1.00 1.02 H new ATOM 0 HA CYS B 80 14.565 2.949 9.445 1.00 1.04 H new ATOM 0 HB2 CYS B 80 12.187 3.511 8.571 1.00 1.00 H new ATOM 0 HB3 CYS B 80 12.564 2.501 7.190 1.00 1.00 H new ATOM 0 HG CYS B 80 11.150 0.906 9.085 1.00 1.16 H new ATOM 2803 N MET B 81 15.382 2.168 6.345 1.00 1.24 N ATOM 2804 CA MET B 81 16.286 1.385 5.493 1.00 1.40 C ATOM 2805 C MET B 81 17.773 1.593 5.834 1.00 1.42 C ATOM 2806 O MET B 81 18.609 0.829 5.361 1.00 1.59 O ATOM 2807 CB MET B 81 15.934 1.690 4.033 1.00 1.66 C ATOM 2808 CG MET B 81 16.476 0.665 3.030 1.00 2.07 C ATOM 2809 SD MET B 81 16.667 1.356 1.371 1.00 3.07 S ATOM 2810 CE MET B 81 18.035 2.458 1.806 1.00 4.54 C ATOM 0 H MET B 81 14.853 2.859 5.812 1.00 1.24 H new ATOM 0 HA MET B 81 16.138 0.321 5.678 1.00 1.40 H new ATOM 0 HB2 MET B 81 14.850 1.740 3.935 1.00 1.66 H new ATOM 0 HB3 MET B 81 16.323 2.675 3.775 1.00 1.66 H new ATOM 0 HG2 MET B 81 17.440 0.294 3.379 1.00 2.07 H new ATOM 0 HG3 MET B 81 15.801 -0.190 2.989 1.00 2.07 H new ATOM 0 HE1 MET B 81 18.795 2.420 1.026 1.00 4.54 H new ATOM 0 HE2 MET B 81 17.664 3.478 1.901 1.00 4.54 H new ATOM 0 HE3 MET B 81 18.471 2.141 2.753 1.00 4.54 H new ATOM 2820 N ALA B 82 18.113 2.566 6.692 1.00 1.44 N ATOM 2821 CA ALA B 82 19.446 2.671 7.260 1.00 1.54 C ATOM 2822 C ALA B 82 19.698 1.698 8.441 1.00 1.33 C ATOM 2823 O ALA B 82 20.816 1.677 8.960 1.00 1.60 O ATOM 2824 CB ALA B 82 19.747 4.139 7.595 1.00 1.82 C ATOM 0 H ALA B 82 17.469 3.293 7.004 1.00 1.44 H new ATOM 0 HA ALA B 82 20.162 2.343 6.506 1.00 1.54 H new ATOM 0 HB1 ALA B 82 20.747 4.217 8.021 1.00 1.82 H new ATOM 0 HB2 ALA B 82 19.692 4.738 6.686 1.00 1.82 H new ATOM 0 HB3 ALA B 82 19.016 4.505 8.316 1.00 1.82 H new ATOM 2830 N TYR B 83 18.698 0.927 8.909 1.00 1.06 N ATOM 2831 CA TYR B 83 18.796 0.058 10.102 1.00 1.13 C ATOM 2832 C TYR B 83 17.660 -0.981 10.306 1.00 1.17 C ATOM 2833 O TYR B 83 17.574 -1.559 11.393 1.00 1.61 O ATOM 2834 CB TYR B 83 18.985 0.935 11.361 1.00 1.27 C ATOM 2835 CG TYR B 83 17.936 2.015 11.553 1.00 1.15 C ATOM 2836 CD1 TYR B 83 16.736 1.743 12.232 1.00 1.99 C ATOM 2837 CD2 TYR B 83 18.185 3.318 11.076 1.00 1.99 C ATOM 2838 CE1 TYR B 83 15.747 2.739 12.345 1.00 1.86 C ATOM 2839 CE2 TYR B 83 17.245 4.341 11.268 1.00 2.34 C ATOM 2840 CZ TYR B 83 15.994 4.042 11.852 1.00 1.54 C ATOM 2841 OH TYR B 83 15.026 4.994 11.933 1.00 1.91 O ATOM 0 H TYR B 83 17.782 0.888 8.462 1.00 1.06 H new ATOM 0 HA TYR B 83 19.669 -0.570 9.922 1.00 1.13 H new ATOM 0 HB2 TYR B 83 18.985 0.289 12.239 1.00 1.27 H new ATOM 0 HB3 TYR B 83 19.966 1.407 11.313 1.00 1.27 H new ATOM 0 HD1 TYR B 83 16.572 0.769 12.668 1.00 1.99 H new ATOM 0 HD2 TYR B 83 19.108 3.530 10.558 1.00 1.99 H new ATOM 0 HE1 TYR B 83 14.799 2.508 12.808 1.00 1.86 H new ATOM 0 HE2 TYR B 83 17.477 5.353 10.971 1.00 2.34 H new ATOM 0 HH TYR B 83 15.442 5.878 12.011 1.00 1.91 H new ATOM 2851 N ASN B 84 16.791 -1.237 9.322 1.00 1.08 N ATOM 2852 CA ASN B 84 15.598 -2.095 9.416 1.00 1.44 C ATOM 2853 C ASN B 84 15.873 -3.615 9.430 1.00 1.70 C ATOM 2854 O ASN B 84 15.150 -4.394 8.801 1.00 2.24 O ATOM 2855 CB ASN B 84 14.564 -1.711 8.343 1.00 1.62 C ATOM 2856 CG ASN B 84 14.990 -1.986 6.898 1.00 3.24 C ATOM 2857 OD1 ASN B 84 16.150 -1.906 6.525 1.00 4.68 O ATOM 2858 ND2 ASN B 84 14.047 -2.270 6.019 1.00 4.04 N ATOM 0 H ASN B 84 16.903 -0.833 8.392 1.00 1.08 H new ATOM 0 HA ASN B 84 15.183 -1.896 10.404 1.00 1.44 H new ATOM 0 HB2 ASN B 84 13.640 -2.253 8.542 1.00 1.62 H new ATOM 0 HB3 ASN B 84 14.338 -0.649 8.442 1.00 1.62 H new ATOM 0 HD21 ASN B 84 14.291 -2.420 5.040 1.00 4.04 H new ATOM 0 HD22 ASN B 84 13.075 -2.339 6.319 1.00 4.04 H new ATOM 2865 N ASP B 85 16.887 -4.051 10.179 1.00 1.87 N ATOM 2866 CA ASP B 85 17.023 -5.452 10.594 1.00 2.47 C ATOM 2867 C ASP B 85 16.097 -5.740 11.804 1.00 3.16 C ATOM 2868 O ASP B 85 15.272 -4.902 12.157 1.00 4.91 O ATOM 2869 CB ASP B 85 18.510 -5.785 10.839 1.00 2.68 C ATOM 2870 CG ASP B 85 18.845 -7.222 10.417 1.00 3.74 C ATOM 2871 OD1 ASP B 85 18.217 -8.143 10.983 1.00 5.23 O ATOM 2872 OD2 ASP B 85 19.687 -7.384 9.506 1.00 4.29 O ATOM 0 H ASP B 85 17.636 -3.446 10.515 1.00 1.87 H new ATOM 0 HA ASP B 85 16.692 -6.121 9.800 1.00 2.47 H new ATOM 0 HB2 ASP B 85 19.136 -5.087 10.283 1.00 2.68 H new ATOM 0 HB3 ASP B 85 18.744 -5.652 11.895 1.00 2.68 H new ATOM 2877 N PHE B 86 16.157 -6.949 12.391 1.00 2.86 N ATOM 2878 CA PHE B 86 15.199 -7.542 13.353 1.00 3.44 C ATOM 2879 C PHE B 86 13.883 -7.950 12.662 1.00 3.61 C ATOM 2880 O PHE B 86 13.311 -8.997 12.962 1.00 4.03 O ATOM 2881 CB PHE B 86 14.952 -6.619 14.564 1.00 3.78 C ATOM 2882 CG PHE B 86 14.284 -7.307 15.742 1.00 4.80 C ATOM 2883 CD1 PHE B 86 15.065 -7.956 16.717 1.00 5.45 C ATOM 2884 CD2 PHE B 86 12.881 -7.293 15.871 1.00 5.94 C ATOM 2885 CE1 PHE B 86 14.451 -8.585 17.815 1.00 6.73 C ATOM 2886 CE2 PHE B 86 12.266 -7.926 16.965 1.00 7.36 C ATOM 2887 CZ PHE B 86 13.049 -8.571 17.939 1.00 7.59 C ATOM 0 H PHE B 86 16.929 -7.586 12.194 1.00 2.86 H new ATOM 0 HA PHE B 86 15.655 -8.453 13.741 1.00 3.44 H new ATOM 0 HB2 PHE B 86 15.905 -6.205 14.892 1.00 3.78 H new ATOM 0 HB3 PHE B 86 14.332 -5.780 14.247 1.00 3.78 H new ATOM 0 HD1 PHE B 86 16.141 -7.971 16.621 1.00 5.45 H new ATOM 0 HD2 PHE B 86 12.277 -6.795 15.127 1.00 5.94 H new ATOM 0 HE1 PHE B 86 15.055 -9.078 18.562 1.00 6.73 H new ATOM 0 HE2 PHE B 86 11.190 -7.917 17.058 1.00 7.36 H new ATOM 0 HZ PHE B 86 12.575 -9.055 18.781 1.00 7.59 H new ATOM 2897 N PHE B 87 13.464 -7.171 11.662 1.00 3.44 N ATOM 2898 CA PHE B 87 12.536 -7.572 10.600 1.00 3.59 C ATOM 2899 C PHE B 87 13.235 -8.445 9.532 1.00 3.57 C ATOM 2900 O PHE B 87 12.576 -8.985 8.640 1.00 3.89 O ATOM 2901 CB PHE B 87 11.944 -6.302 9.965 1.00 3.38 C ATOM 2902 CG PHE B 87 11.537 -5.220 10.956 1.00 3.89 C ATOM 2903 CD1 PHE B 87 10.442 -5.415 11.822 1.00 5.00 C ATOM 2904 CD2 PHE B 87 12.281 -4.030 11.036 1.00 4.10 C ATOM 2905 CE1 PHE B 87 10.095 -4.421 12.754 1.00 5.77 C ATOM 2906 CE2 PHE B 87 11.936 -3.036 11.968 1.00 4.94 C ATOM 2907 CZ PHE B 87 10.842 -3.228 12.826 1.00 5.57 C ATOM 0 H PHE B 87 13.774 -6.204 11.565 1.00 3.44 H new ATOM 0 HA PHE B 87 11.740 -8.180 11.031 1.00 3.59 H new ATOM 0 HB2 PHE B 87 12.676 -5.884 9.273 1.00 3.38 H new ATOM 0 HB3 PHE B 87 11.071 -6.581 9.375 1.00 3.38 H new ATOM 0 HD1 PHE B 87 9.869 -6.329 11.770 1.00 5.00 H new ATOM 0 HD2 PHE B 87 13.123 -3.878 10.377 1.00 4.10 H new ATOM 0 HE1 PHE B 87 9.255 -4.572 13.416 1.00 5.77 H new ATOM 0 HE2 PHE B 87 12.513 -2.125 12.024 1.00 4.94 H new ATOM 0 HZ PHE B 87 10.573 -2.463 13.540 1.00 5.57 H new ATOM 2917 N LEU B 88 14.572 -8.554 9.604 1.00 3.32 N ATOM 2918 CA LEU B 88 15.395 -9.441 8.794 1.00 3.43 C ATOM 2919 C LEU B 88 15.627 -10.772 9.520 1.00 4.26 C ATOM 2920 O LEU B 88 14.662 -11.349 10.014 1.00 4.68 O ATOM 2921 CB LEU B 88 16.613 -8.658 8.238 1.00 2.80 C ATOM 2922 CG LEU B 88 16.629 -8.678 6.705 1.00 2.40 C ATOM 2923 CD1 LEU B 88 17.409 -7.518 6.084 1.00 2.56 C ATOM 2924 CD2 LEU B 88 17.224 -9.995 6.207 1.00 2.90 C ATOM 0 H LEU B 88 15.123 -7.999 10.259 1.00 3.32 H new ATOM 0 HA LEU B 88 14.893 -9.774 7.886 1.00 3.43 H new ATOM 0 HB2 LEU B 88 16.579 -7.627 8.591 1.00 2.80 H new ATOM 0 HB3 LEU B 88 17.535 -9.095 8.620 1.00 2.80 H new ATOM 0 HG LEU B 88 15.590 -8.573 6.392 1.00 2.40 H new ATOM 0 HD11 LEU B 88 17.377 -7.598 4.997 1.00 2.56 H new ATOM 0 HD12 LEU B 88 16.962 -6.573 6.392 1.00 2.56 H new ATOM 0 HD13 LEU B 88 18.445 -7.555 6.420 1.00 2.56 H new ATOM 0 HD21 LEU B 88 17.232 -10.002 5.117 1.00 2.90 H new ATOM 0 HD22 LEU B 88 18.244 -10.097 6.578 1.00 2.90 H new ATOM 0 HD23 LEU B 88 16.621 -10.827 6.570 1.00 2.90 H new ATOM 2936 N GLU B 89 16.829 -11.338 9.471 1.00 4.67 N ATOM 2937 CA GLU B 89 17.086 -12.781 9.657 1.00 5.41 C ATOM 2938 C GLU B 89 18.573 -13.106 9.514 1.00 5.07 C ATOM 2939 O GLU B 89 19.143 -13.813 10.340 1.00 5.66 O ATOM 2940 CB GLU B 89 16.290 -13.548 8.580 1.00 6.03 C ATOM 2941 CG GLU B 89 16.502 -15.055 8.446 1.00 6.42 C ATOM 2942 CD GLU B 89 15.838 -15.507 7.146 1.00 6.64 C ATOM 2943 OE1 GLU B 89 14.586 -15.484 7.090 1.00 7.35 O ATOM 2944 OE2 GLU B 89 16.585 -15.738 6.169 1.00 6.54 O ATOM 0 H GLU B 89 17.679 -10.801 9.297 1.00 4.67 H new ATOM 0 HA GLU B 89 16.776 -13.073 10.660 1.00 5.41 H new ATOM 0 HB2 GLU B 89 15.230 -13.379 8.769 1.00 6.03 H new ATOM 0 HB3 GLU B 89 16.518 -13.095 7.615 1.00 6.03 H new ATOM 0 HG2 GLU B 89 17.566 -15.291 8.434 1.00 6.42 H new ATOM 0 HG3 GLU B 89 16.069 -15.579 9.298 1.00 6.42 H new ATOM 2951 N ASP B 90 19.163 -12.598 8.433 1.00 4.37 N ATOM 2952 CA ASP B 90 20.462 -12.934 7.852 1.00 4.30 C ATOM 2953 C ASP B 90 20.556 -12.165 6.531 1.00 4.15 C ATOM 2954 O ASP B 90 19.576 -12.097 5.782 1.00 4.85 O ATOM 2955 CB ASP B 90 20.601 -14.456 7.669 1.00 5.24 C ATOM 2956 CG ASP B 90 21.729 -14.846 6.716 1.00 5.62 C ATOM 2957 OD1 ASP B 90 22.883 -14.448 6.966 1.00 5.66 O ATOM 2958 OD2 ASP B 90 21.393 -15.544 5.727 1.00 6.53 O ATOM 0 H ASP B 90 18.698 -11.871 7.890 1.00 4.37 H new ATOM 0 HA ASP B 90 21.286 -12.647 8.505 1.00 4.30 H new ATOM 0 HB2 ASP B 90 20.779 -14.918 8.640 1.00 5.24 H new ATOM 0 HB3 ASP B 90 19.660 -14.858 7.292 1.00 5.24 H new ATOM 2963 N ASN B 91 21.692 -11.508 6.295 1.00 4.00 N ATOM 2964 CA ASN B 91 21.793 -10.435 5.309 1.00 4.47 C ATOM 2965 C ASN B 91 21.969 -10.986 3.887 1.00 4.55 C ATOM 2966 O ASN B 91 23.084 -11.205 3.414 1.00 4.98 O ATOM 2967 CB ASN B 91 22.879 -9.424 5.720 1.00 5.22 C ATOM 2968 CG ASN B 91 22.610 -8.750 7.069 1.00 6.98 C ATOM 2969 OD1 ASN B 91 23.496 -8.639 7.903 1.00 8.11 O ATOM 2970 ND2 ASN B 91 21.391 -8.296 7.321 1.00 7.87 N ATOM 0 H ASN B 91 22.566 -11.705 6.782 1.00 4.00 H new ATOM 0 HA ASN B 91 20.851 -9.887 5.289 1.00 4.47 H new ATOM 0 HB2 ASN B 91 23.841 -9.935 5.764 1.00 5.22 H new ATOM 0 HB3 ASN B 91 22.960 -8.657 4.950 1.00 5.22 H new ATOM 0 HD21 ASN B 91 21.188 -7.851 8.216 1.00 7.87 H new ATOM 0 HD22 ASN B 91 20.656 -8.392 6.620 1.00 7.87 H new ATOM 2977 N LYS B 92 20.828 -11.196 3.224 1.00 5.02 N ATOM 2978 CA LYS B 92 20.713 -11.363 1.767 1.00 6.16 C ATOM 2979 C LYS B 92 20.829 -10.006 1.069 1.00 6.42 C ATOM 2980 O LYS B 92 21.429 -9.985 -0.023 1.00 6.88 O ATOM 2981 CB LYS B 92 19.392 -12.057 1.391 1.00 7.49 C ATOM 2982 CG LYS B 92 19.324 -13.564 1.693 1.00 8.35 C ATOM 2983 CD LYS B 92 19.241 -13.921 3.187 1.00 8.16 C ATOM 2984 CE LYS B 92 18.984 -15.421 3.356 1.00 9.67 C ATOM 2985 NZ LYS B 92 18.881 -15.794 4.782 1.00 10.09 N ATOM 2986 OXT LYS B 92 20.312 -9.029 1.657 1.00 6.86 O ATOM 0 H LYS B 92 19.928 -11.257 3.700 1.00 5.02 H new ATOM 0 HA LYS B 92 21.531 -12.000 1.430 1.00 6.16 H new ATOM 0 HB2 LYS B 92 18.578 -11.561 1.921 1.00 7.49 H new ATOM 0 HB3 LYS B 92 19.215 -11.910 0.326 1.00 7.49 H new ATOM 0 HG2 LYS B 92 18.455 -13.983 1.185 1.00 8.35 H new ATOM 0 HG3 LYS B 92 20.205 -14.045 1.268 1.00 8.35 H new ATOM 0 HD2 LYS B 92 20.169 -13.645 3.687 1.00 8.16 H new ATOM 0 HD3 LYS B 92 18.442 -13.351 3.661 1.00 8.16 H new ATOM 0 HE2 LYS B 92 18.064 -15.694 2.840 1.00 9.67 H new ATOM 0 HE3 LYS B 92 19.791 -15.985 2.888 1.00 9.67 H new ATOM 0 HZ1 LYS B 92 18.809 -16.828 4.866 1.00 10.09 H new ATOM 0 HZ2 LYS B 92 19.727 -15.464 5.289 1.00 10.09 H new ATOM 0 HZ3 LYS B 92 18.035 -15.353 5.196 1.00 10.09 H new TER 3000 LYS B 92