USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1057 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 105 CYS SG : rot 172:sc= -3.05! USER MOD Set 1.2: B 108 CYS SG : rot -66:sc= -1.28 USER MOD Set 1.3: B 126 CYS SG : rot 118:sc= -2.68! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.61 K(o=-8.6,f=-11) USER MOD Set 2.1: B 79 CYS SG : rot -167:sc= -5.08! USER MOD Set 2.2: B 82 CYS SG : rot -109:sc= -0.156 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.85 K(o=-9.6,f=-14!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.452 K(o=-9.6,f=-12) USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 74 MET CE :methyl -130:sc= -0.0771 (180deg=-0.491) USER MOD Set 4.1: A 48 ASN : amide:sc= -26.3! C(o=-27!,f=-20!) USER MOD Set 4.2: A 52 GLN : amide:sc= -1.03 K(o=-27,f=-25) USER MOD Set 5.1: A 31 MET CE :methyl -157:sc= -1.22 (180deg=-3.29!) USER MOD Set 5.2: A 46 CYS SG : rot 13:sc= 0.636 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -174:sc= -0.303 (180deg=-0.503) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.1!) USER MOD Single : A 11 THR OG1 : rot -117:sc= 1.22 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.73 USER MOD Single : A 19 THR OG1 : rot -160:sc= -1.41 USER MOD Single : A 24 ASN : amide:sc= -1.98 K(o=-2,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc=-0.00184 (180deg=-0.154) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= -16.4! (180deg=-18.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0961 K(o=-0.096,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= -1.85! (180deg=-1.98!) USER MOD Single : A 59 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.014) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 120:sc= -1.1 USER MOD Single : A 71 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-1.8!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -4.1! K(o=-4.1!,f=-0.36) USER MOD Single : B 94 MET CE :methyl -161:sc= -1.23 (180deg=-3.22!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0971) USER MOD Single : B 97 GLN : amide:sc= -7.12! K(o=-7.1!,f=-1.7) USER MOD Single : B 107 LYS NZ :NH3+ -153:sc= -1.09 (180deg=-2.7!) USER MOD Single : B 110 LYS NZ :NH3+ 157:sc= -0.207 (180deg=-0.985) USER MOD Single : B 115 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.68) USER MOD Single : B 117 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-1.1) USER MOD Single : B 118 TYR OH : rot 10:sc= -0.652 USER MOD Single : B 121 LYS NZ :NH3+ -165:sc=-0.00954 (180deg=-0.221) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -98:sc= 0.794 USER MOD Single : B 131 ASN : amide:sc= -0.59 K(o=-0.59,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.764 K(o=-0.76,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.703 -9.791 -28.468 1.00 0.00 N ATOM 2 CA GLN A 1 -9.524 -9.224 -29.181 1.00 0.00 C ATOM 3 C GLN A 1 -8.672 -8.418 -28.199 1.00 0.00 C ATOM 4 O GLN A 1 -7.726 -7.758 -28.579 1.00 0.00 O ATOM 5 CB GLN A 1 -10.001 -8.310 -30.312 1.00 0.00 C ATOM 6 CG GLN A 1 -10.895 -9.104 -31.266 1.00 0.00 C ATOM 7 CD GLN A 1 -11.122 -8.292 -32.544 1.00 0.00 C ATOM 8 OE1 GLN A 1 -10.597 -8.624 -33.588 1.00 0.00 O ATOM 9 NE2 GLN A 1 -11.889 -7.237 -32.505 1.00 0.00 N ATOM 0 H1 GLN A 1 -11.226 -10.421 -29.109 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.381 -10.330 -27.639 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.326 -9.018 -28.158 1.00 0.00 H new ATOM 0 HA GLN A 1 -8.928 -10.036 -29.598 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.551 -7.463 -29.902 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.145 -7.904 -30.851 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.430 -10.060 -31.507 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.849 -9.325 -30.788 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -12.329 -6.959 -31.628 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.048 -6.691 -33.351 1.00 0.00 H new ATOM 20 N GLY A 2 -9.002 -8.465 -26.936 1.00 0.00 N ATOM 21 CA GLY A 2 -8.212 -7.701 -25.932 1.00 0.00 C ATOM 22 C GLY A 2 -8.610 -8.145 -24.522 1.00 0.00 C ATOM 23 O GLY A 2 -9.305 -7.445 -23.815 1.00 0.00 O ATOM 0 H GLY A 2 -9.784 -8.999 -26.558 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.146 -7.867 -26.090 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.389 -6.632 -26.051 1.00 0.00 H new ATOM 27 N SER A 3 -8.171 -9.303 -24.109 1.00 0.00 N ATOM 28 CA SER A 3 -8.525 -9.788 -22.747 1.00 0.00 C ATOM 29 C SER A 3 -7.565 -10.904 -22.334 1.00 0.00 C ATOM 30 O SER A 3 -7.939 -11.843 -21.661 1.00 0.00 O ATOM 31 CB SER A 3 -9.957 -10.325 -22.752 1.00 0.00 C ATOM 32 OG SER A 3 -10.036 -11.440 -23.628 1.00 0.00 O ATOM 0 H SER A 3 -7.583 -9.932 -24.656 1.00 0.00 H new ATOM 0 HA SER A 3 -8.448 -8.963 -22.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.252 -10.618 -21.744 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.649 -9.546 -23.073 1.00 0.00 H new ATOM 0 HG SER A 3 -10.952 -11.788 -23.633 1.00 0.00 H new ATOM 38 N ARG A 4 -6.326 -10.808 -22.731 1.00 0.00 N ATOM 39 CA ARG A 4 -5.341 -11.863 -22.357 1.00 0.00 C ATOM 40 C ARG A 4 -4.998 -11.725 -20.872 1.00 0.00 C ATOM 41 O ARG A 4 -5.002 -10.642 -20.325 1.00 0.00 O ATOM 42 CB ARG A 4 -4.069 -11.697 -23.196 1.00 0.00 C ATOM 43 CG ARG A 4 -3.068 -12.798 -22.834 1.00 0.00 C ATOM 44 CD ARG A 4 -1.835 -12.698 -23.736 1.00 0.00 C ATOM 45 NE ARG A 4 -2.250 -12.551 -25.173 1.00 0.00 N ATOM 46 CZ ARG A 4 -3.021 -13.430 -25.759 1.00 0.00 C ATOM 47 NH1 ARG A 4 -3.313 -14.554 -25.169 1.00 0.00 N ATOM 48 NH2 ARG A 4 -3.457 -13.201 -26.969 1.00 0.00 N ATOM 0 H ARG A 4 -5.953 -10.046 -23.297 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.769 -12.848 -22.544 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.312 -11.747 -24.257 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.628 -10.717 -23.016 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.773 -12.704 -21.789 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.534 -13.777 -22.947 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.226 -11.845 -23.437 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.217 -13.588 -23.618 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.922 -11.745 -25.705 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.939 -14.755 -24.241 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.915 -15.233 -25.635 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.196 -12.341 -27.451 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.059 -13.882 -27.432 1.00 0.00 H new ATOM 62 N VAL A 5 -4.701 -12.812 -20.216 1.00 0.00 N ATOM 63 CA VAL A 5 -4.359 -12.730 -18.769 1.00 0.00 C ATOM 64 C VAL A 5 -3.046 -11.960 -18.602 1.00 0.00 C ATOM 65 O VAL A 5 -1.972 -12.524 -18.658 1.00 0.00 O ATOM 66 CB VAL A 5 -4.201 -14.142 -18.204 1.00 0.00 C ATOM 67 CG1 VAL A 5 -3.994 -14.067 -16.690 1.00 0.00 C ATOM 68 CG2 VAL A 5 -5.463 -14.954 -18.504 1.00 0.00 C ATOM 0 H VAL A 5 -4.680 -13.750 -20.617 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.154 -12.213 -18.233 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.338 -14.623 -18.665 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.881 -15.074 -16.288 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.097 -13.487 -16.474 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.856 -13.586 -16.228 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.352 -15.961 -18.102 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.324 -14.472 -18.042 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.613 -15.008 -19.582 1.00 0.00 H new ATOM 78 N LEU A 6 -3.134 -10.671 -18.386 1.00 0.00 N ATOM 79 CA LEU A 6 -1.910 -9.830 -18.195 1.00 0.00 C ATOM 80 C LEU A 6 -2.002 -9.165 -16.829 1.00 0.00 C ATOM 81 O LEU A 6 -1.117 -9.277 -16.002 1.00 0.00 O ATOM 82 CB LEU A 6 -1.849 -8.750 -19.283 1.00 0.00 C ATOM 83 CG LEU A 6 -1.527 -9.388 -20.649 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.997 -8.459 -21.773 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.014 -9.612 -20.792 1.00 0.00 C ATOM 0 H LEU A 6 -4.014 -10.158 -18.333 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.015 -10.449 -18.260 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.801 -8.222 -19.335 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.088 -8.011 -19.030 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.042 -10.347 -20.714 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.769 -8.911 -22.738 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.073 -8.303 -21.691 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.484 -7.501 -21.691 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.197 -10.063 -21.762 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.504 -8.656 -20.716 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.332 -10.276 -20.000 1.00 0.00 H new ATOM 97 N HIS A 7 -3.085 -8.475 -16.585 1.00 0.00 N ATOM 98 CA HIS A 7 -3.275 -7.796 -15.277 1.00 0.00 C ATOM 99 C HIS A 7 -4.757 -7.838 -14.908 1.00 0.00 C ATOM 100 O HIS A 7 -5.449 -6.842 -14.970 1.00 0.00 O ATOM 101 CB HIS A 7 -2.816 -6.340 -15.385 1.00 0.00 C ATOM 102 CG HIS A 7 -1.379 -6.300 -15.824 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.336 -6.646 -14.978 1.00 0.00 N ATOM 104 CD2 HIS A 7 -0.793 -5.954 -17.018 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.810 -6.503 -15.666 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.589 -6.085 -16.916 1.00 0.00 N ATOM 0 H HIS A 7 -3.852 -8.354 -17.246 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.688 -8.301 -14.510 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.441 -5.802 -16.098 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.928 -5.840 -14.423 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.423 -6.953 -14.009 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.324 -5.630 -17.901 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.790 -6.702 -15.258 1.00 0.00 H new ATOM 114 N VAL A 8 -5.250 -8.978 -14.506 1.00 0.00 N ATOM 115 CA VAL A 8 -6.684 -9.067 -14.120 1.00 0.00 C ATOM 116 C VAL A 8 -6.840 -8.285 -12.821 1.00 0.00 C ATOM 117 O VAL A 8 -5.864 -8.073 -12.127 1.00 0.00 O ATOM 118 CB VAL A 8 -7.063 -10.534 -13.902 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.374 -10.612 -13.122 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.238 -11.225 -15.257 1.00 0.00 C ATOM 0 H VAL A 8 -4.723 -9.848 -14.429 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.332 -8.660 -14.896 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.273 -11.031 -13.339 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.644 -11.657 -12.967 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.253 -10.121 -12.156 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.163 -10.114 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.508 -12.269 -15.101 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.027 -10.727 -15.820 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.304 -11.171 -15.816 1.00 0.00 H new ATOM 130 N VAL A 9 -8.022 -7.821 -12.468 1.00 0.00 N ATOM 131 CA VAL A 9 -8.128 -7.033 -11.200 1.00 0.00 C ATOM 132 C VAL A 9 -9.459 -7.286 -10.491 1.00 0.00 C ATOM 133 O VAL A 9 -10.522 -7.213 -11.075 1.00 0.00 O ATOM 134 CB VAL A 9 -7.978 -5.530 -11.512 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.815 -5.308 -12.484 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.264 -5.005 -12.157 1.00 0.00 C ATOM 0 H VAL A 9 -8.890 -7.950 -12.987 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.328 -7.355 -10.533 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.784 -4.999 -10.580 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.718 -4.244 -12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.891 -5.674 -12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.007 -5.848 -13.411 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.154 -3.943 -12.376 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.455 -5.548 -13.082 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.100 -5.150 -11.472 1.00 0.00 H new ATOM 146 N GLN A 10 -9.391 -7.556 -9.213 1.00 0.00 N ATOM 147 CA GLN A 10 -10.620 -7.794 -8.406 1.00 0.00 C ATOM 148 C GLN A 10 -10.968 -6.519 -7.634 1.00 0.00 C ATOM 149 O GLN A 10 -10.135 -5.941 -6.963 1.00 0.00 O ATOM 150 CB GLN A 10 -10.371 -8.936 -7.417 1.00 0.00 C ATOM 151 CG GLN A 10 -10.217 -10.253 -8.178 1.00 0.00 C ATOM 152 CD GLN A 10 -9.918 -11.381 -7.188 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.900 -11.165 -5.992 1.00 0.00 O ATOM 154 NE2 GLN A 10 -9.678 -12.583 -7.636 1.00 0.00 N ATOM 0 H GLN A 10 -8.519 -7.622 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.445 -8.062 -9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.473 -8.735 -6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.200 -9.007 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.129 -10.474 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.411 -10.172 -8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.693 -12.766 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.476 -13.340 -6.983 1.00 0.00 H new ATOM 163 N THR A 11 -12.189 -6.081 -7.728 1.00 0.00 N ATOM 164 CA THR A 11 -12.610 -4.843 -7.011 1.00 0.00 C ATOM 165 C THR A 11 -12.502 -5.034 -5.512 1.00 0.00 C ATOM 166 O THR A 11 -12.587 -6.126 -4.985 1.00 0.00 O ATOM 167 CB THR A 11 -14.055 -4.535 -7.359 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.201 -4.516 -8.771 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.480 -3.182 -6.771 1.00 0.00 C ATOM 0 H THR A 11 -12.923 -6.530 -8.276 1.00 0.00 H new ATOM 0 HA THR A 11 -11.959 -4.023 -7.315 1.00 0.00 H new ATOM 0 HB THR A 11 -14.694 -5.308 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.474 -3.620 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.519 -2.982 -7.033 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.378 -3.209 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.845 -2.394 -7.176 1.00 0.00 H new ATOM 177 N LEU A 12 -12.332 -3.949 -4.832 1.00 5.40 N ATOM 178 CA LEU A 12 -12.226 -3.956 -3.345 1.00 9.02 C ATOM 179 C LEU A 12 -13.446 -3.214 -2.801 1.00 10.54 C ATOM 180 O LEU A 12 -13.782 -3.322 -1.639 1.00 10.21 O ATOM 181 CB LEU A 12 -10.946 -3.198 -2.899 1.00 7.97 C ATOM 182 CG LEU A 12 -9.592 -3.880 -3.324 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.428 -2.931 -3.029 1.00 6.40 C ATOM 184 CD2 LEU A 12 -9.298 -5.204 -2.599 1.00 6.66 C ATOM 0 H LEU A 12 -12.259 -3.023 -5.252 1.00 5.40 H new ATOM 0 HA LEU A 12 -12.179 -4.980 -2.974 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.975 -2.190 -3.314 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.960 -3.097 -1.814 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.696 -4.099 -4.387 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.490 -3.403 -3.323 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.561 -2.007 -3.591 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -8.403 -2.707 -1.963 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -8.348 -5.608 -2.949 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -9.243 -5.026 -1.525 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -10.095 -5.918 -2.808 1.00 6.66 H new ATOM 196 N TYR A 13 -14.113 -2.449 -3.632 1.00 12.19 N ATOM 197 CA TYR A 13 -15.316 -1.695 -3.141 1.00 12.32 C ATOM 198 C TYR A 13 -16.349 -1.507 -4.280 1.00 14.17 C ATOM 199 O TYR A 13 -15.958 -1.311 -5.415 1.00 14.79 O ATOM 200 CB TYR A 13 -14.868 -0.316 -2.646 1.00 14.83 C ATOM 201 CG TYR A 13 -13.602 -0.455 -1.834 1.00 15.75 C ATOM 202 CD1 TYR A 13 -13.667 -0.905 -0.509 1.00 18.39 C ATOM 203 CD2 TYR A 13 -12.363 -0.130 -2.403 1.00 10.85 C ATOM 204 CE1 TYR A 13 -12.492 -1.033 0.245 1.00 12.56 C ATOM 205 CE2 TYR A 13 -11.192 -0.257 -1.649 1.00 10.94 C ATOM 206 CZ TYR A 13 -11.257 -0.710 -0.326 1.00 12.35 C ATOM 207 OH TYR A 13 -10.100 -0.833 0.418 1.00 12.20 O ATOM 0 H TYR A 13 -13.883 -2.313 -4.616 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.781 -2.262 -2.335 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -14.697 0.348 -3.494 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -15.653 0.136 -2.040 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -14.621 -1.153 -0.069 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -12.313 0.219 -3.424 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -12.541 -1.381 1.266 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -10.238 -0.006 -2.087 1.00 10.94 H new ATOM 0 HH TYR A 13 -9.330 -0.569 -0.128 1.00 12.20 H new ATOM 217 N PRO A 14 -17.647 -1.539 -3.962 1.00 0.00 N ATOM 218 CA PRO A 14 -18.699 -1.333 -4.989 1.00 0.00 C ATOM 219 C PRO A 14 -18.728 0.151 -5.387 1.00 0.00 C ATOM 220 O PRO A 14 -19.531 0.919 -4.892 1.00 0.00 O ATOM 221 CB PRO A 14 -20.013 -1.727 -4.281 1.00 0.00 C ATOM 222 CG PRO A 14 -19.714 -1.738 -2.758 1.00 0.00 C ATOM 223 CD PRO A 14 -18.179 -1.782 -2.595 1.00 0.00 C ATOM 0 HA PRO A 14 -18.535 -1.915 -5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.806 -1.017 -4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -20.354 -2.707 -4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -20.127 -0.850 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.177 -2.602 -2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.833 -1.022 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.849 -2.746 -2.207 1.00 0.00 H new ATOM 231 N PHE A 15 -17.853 0.567 -6.256 1.00 0.00 N ATOM 232 CA PHE A 15 -17.828 2.006 -6.655 1.00 0.00 C ATOM 233 C PHE A 15 -19.030 2.347 -7.530 1.00 0.00 C ATOM 234 O PHE A 15 -19.762 1.485 -7.974 1.00 0.00 O ATOM 235 CB PHE A 15 -16.555 2.300 -7.444 1.00 0.00 C ATOM 236 CG PHE A 15 -16.388 3.800 -7.648 1.00 0.00 C ATOM 237 CD1 PHE A 15 -16.341 4.673 -6.547 1.00 0.00 C ATOM 238 CD2 PHE A 15 -16.273 4.319 -8.948 1.00 0.00 C ATOM 239 CE1 PHE A 15 -16.180 6.049 -6.750 1.00 0.00 C ATOM 240 CE2 PHE A 15 -16.114 5.696 -9.144 1.00 0.00 C ATOM 241 CZ PHE A 15 -16.068 6.560 -8.047 1.00 0.00 C ATOM 0 H PHE A 15 -17.154 -0.023 -6.708 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.860 2.609 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -15.691 1.901 -6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.595 1.798 -8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.429 4.282 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.307 3.654 -9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.142 6.718 -5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -16.027 6.091 -10.145 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.946 7.622 -8.201 1.00 0.00 H new ATOM 251 N SER A 16 -19.226 3.616 -7.781 1.00 0.00 N ATOM 252 CA SER A 16 -20.369 4.058 -8.637 1.00 0.00 C ATOM 253 C SER A 16 -19.895 5.151 -9.590 1.00 0.00 C ATOM 254 O SER A 16 -19.583 6.255 -9.193 1.00 0.00 O ATOM 255 CB SER A 16 -21.493 4.598 -7.753 1.00 0.00 C ATOM 256 OG SER A 16 -22.076 3.524 -7.025 1.00 0.00 O ATOM 0 H SER A 16 -18.639 4.371 -7.427 1.00 0.00 H new ATOM 0 HA SER A 16 -20.741 3.211 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.102 5.348 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.249 5.090 -8.366 1.00 0.00 H new ATOM 0 HG SER A 16 -22.796 3.867 -6.456 1.00 0.00 H new ATOM 262 N SER A 17 -19.842 4.836 -10.854 1.00 0.00 N ATOM 263 CA SER A 17 -19.392 5.816 -11.880 1.00 0.00 C ATOM 264 C SER A 17 -20.368 5.759 -13.057 1.00 0.00 C ATOM 265 O SER A 17 -20.426 4.778 -13.769 1.00 0.00 O ATOM 266 CB SER A 17 -17.971 5.439 -12.315 1.00 0.00 C ATOM 267 OG SER A 17 -17.234 6.623 -12.579 1.00 0.00 O ATOM 0 H SER A 17 -20.097 3.921 -11.226 1.00 0.00 H new ATOM 0 HA SER A 17 -19.378 6.833 -11.487 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.481 4.858 -11.534 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.005 4.811 -13.205 1.00 0.00 H new ATOM 0 HG SER A 17 -16.275 6.426 -12.541 1.00 0.00 H new ATOM 273 N VAL A 18 -21.132 6.803 -13.268 1.00 0.00 N ATOM 274 CA VAL A 18 -22.106 6.809 -14.387 1.00 0.00 C ATOM 275 C VAL A 18 -21.942 8.093 -15.186 1.00 0.00 C ATOM 276 O VAL A 18 -22.527 9.123 -14.909 1.00 0.00 O ATOM 277 CB VAL A 18 -23.531 6.736 -13.815 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.748 5.375 -13.145 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.721 7.845 -12.774 1.00 0.00 C ATOM 0 H VAL A 18 -21.117 7.654 -12.705 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.930 5.952 -15.037 1.00 0.00 H new ATOM 0 HB VAL A 18 -24.250 6.863 -14.624 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.759 5.326 -12.740 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.612 4.582 -13.880 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -23.027 5.248 -12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.731 7.794 -12.368 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.999 7.715 -11.968 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.568 8.816 -13.245 1.00 0.00 H new ATOM 289 N THR A 19 -21.166 7.989 -16.202 1.00 38.32 N ATOM 290 CA THR A 19 -20.916 9.128 -17.132 1.00 37.06 C ATOM 291 C THR A 19 -20.773 8.556 -18.532 1.00 36.60 C ATOM 292 O THR A 19 -21.296 7.506 -18.850 1.00 36.42 O ATOM 293 CB THR A 19 -19.619 9.879 -16.749 1.00 37.05 C ATOM 294 OG1 THR A 19 -19.430 9.804 -15.345 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.720 11.353 -17.165 1.00 37.86 C ATOM 0 H THR A 19 -20.668 7.133 -16.448 1.00 38.32 H new ATOM 0 HA THR A 19 -21.743 9.836 -17.077 1.00 37.06 H new ATOM 0 HB THR A 19 -18.776 9.418 -17.264 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.820 10.515 -15.059 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.802 11.872 -16.891 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.865 11.418 -18.243 1.00 37.86 H new ATOM 0 HG23 THR A 19 -20.565 11.817 -16.657 1.00 37.86 H new ATOM 303 N GLU A 20 -20.038 9.224 -19.351 1.00 36.33 N ATOM 304 CA GLU A 20 -19.800 8.756 -20.693 1.00 36.39 C ATOM 305 C GLU A 20 -18.660 7.727 -20.613 1.00 30.94 C ATOM 306 O GLU A 20 -18.779 6.618 -21.096 1.00 31.73 O ATOM 307 CB GLU A 20 -19.459 10.010 -21.506 1.00 41.00 C ATOM 308 CG GLU A 20 -20.670 10.867 -21.601 1.00 49.07 C ATOM 309 CD GLU A 20 -20.336 12.185 -22.303 1.00 52.00 C ATOM 310 OE1 GLU A 20 -19.193 12.353 -22.691 1.00 55.13 O ATOM 311 OE2 GLU A 20 -21.232 13.002 -22.441 1.00 54.38 O ATOM 0 H GLU A 20 -19.582 10.107 -19.122 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.643 8.256 -21.171 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.646 10.558 -21.030 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -19.115 9.731 -22.502 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -21.452 10.343 -22.150 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -21.061 11.068 -20.603 1.00 49.07 H new ATOM 318 N GLU A 21 -17.548 8.106 -20.040 1.00 0.00 N ATOM 319 CA GLU A 21 -16.381 7.215 -19.945 1.00 0.00 C ATOM 320 C GLU A 21 -16.159 6.754 -18.487 1.00 0.00 C ATOM 321 O GLU A 21 -15.045 6.493 -18.081 1.00 0.00 O ATOM 322 CB GLU A 21 -15.200 8.057 -20.434 1.00 0.00 C ATOM 323 CG GLU A 21 -15.380 8.355 -21.911 1.00 0.00 C ATOM 324 CD GLU A 21 -14.254 9.269 -22.406 1.00 0.00 C ATOM 325 OE1 GLU A 21 -13.391 9.593 -21.609 1.00 0.00 O ATOM 326 OE2 GLU A 21 -14.277 9.630 -23.570 1.00 0.00 O ATOM 0 H GLU A 21 -17.408 9.027 -19.625 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.510 6.309 -20.537 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.141 8.986 -19.867 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.264 7.523 -20.270 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.381 7.425 -22.480 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.346 8.832 -22.078 1.00 0.00 H new ATOM 333 N GLU A 22 -17.202 6.661 -17.697 1.00 0.00 N ATOM 334 CA GLU A 22 -17.036 6.232 -16.264 1.00 0.00 C ATOM 335 C GLU A 22 -17.415 4.743 -16.120 1.00 0.00 C ATOM 336 O GLU A 22 -18.213 4.221 -16.873 1.00 0.00 O ATOM 337 CB GLU A 22 -17.945 7.126 -15.387 1.00 0.00 C ATOM 338 CG GLU A 22 -17.128 8.264 -14.742 1.00 0.00 C ATOM 339 CD GLU A 22 -16.563 9.174 -15.834 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.662 8.807 -16.992 1.00 0.00 O ATOM 341 OE2 GLU A 22 -16.038 10.222 -15.493 1.00 0.00 O ATOM 0 H GLU A 22 -18.161 6.862 -17.978 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.000 6.344 -15.943 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.747 7.546 -15.995 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.416 6.524 -14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.759 8.840 -14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.316 7.849 -14.145 1.00 0.00 H new ATOM 348 N LEU A 23 -16.813 4.051 -15.166 1.00 11.68 N ATOM 349 CA LEU A 23 -17.093 2.579 -14.973 1.00 7.71 C ATOM 350 C LEU A 23 -17.852 2.338 -13.659 1.00 8.71 C ATOM 351 O LEU A 23 -17.295 2.472 -12.587 1.00 10.83 O ATOM 352 CB LEU A 23 -15.741 1.828 -14.897 1.00 7.16 C ATOM 353 CG LEU A 23 -15.871 0.310 -15.197 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.133 -0.296 -14.577 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.893 0.061 -16.701 1.00 2.00 C ATOM 0 H LEU A 23 -16.138 4.445 -14.511 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.699 2.222 -15.806 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -15.044 2.274 -15.606 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.314 1.961 -13.903 1.00 7.16 H new ATOM 0 HG LEU A 23 -15.002 -0.172 -14.750 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.180 -1.359 -14.814 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -17.105 -0.166 -13.495 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -18.013 0.205 -14.980 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.985 -1.008 -16.891 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.742 0.582 -17.144 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.969 0.431 -17.145 1.00 2.00 H new ATOM 367 N ASN A 24 -19.094 1.937 -13.725 1.00 0.00 N ATOM 368 CA ASN A 24 -19.852 1.630 -12.470 1.00 0.00 C ATOM 369 C ASN A 24 -19.732 0.123 -12.250 1.00 0.00 C ATOM 370 O ASN A 24 -19.990 -0.648 -13.152 1.00 0.00 O ATOM 371 CB ASN A 24 -21.331 2.009 -12.640 1.00 0.00 C ATOM 372 CG ASN A 24 -22.171 1.367 -11.530 1.00 0.00 C ATOM 373 OD1 ASN A 24 -23.283 0.940 -11.763 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.680 1.281 -10.324 1.00 0.00 N ATOM 0 H ASN A 24 -19.618 1.808 -14.590 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.455 2.192 -11.625 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.442 3.093 -12.610 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.689 1.679 -13.615 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.231 0.855 -9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.746 1.639 -10.127 1.00 0.00 H new ATOM 381 N PHE A 25 -19.315 -0.326 -11.092 1.00 6.72 N ATOM 382 CA PHE A 25 -19.172 -1.795 -10.916 1.00 6.82 C ATOM 383 C PHE A 25 -19.340 -2.182 -9.458 1.00 7.56 C ATOM 384 O PHE A 25 -18.905 -1.494 -8.555 1.00 6.07 O ATOM 385 CB PHE A 25 -17.803 -2.253 -11.442 1.00 9.59 C ATOM 386 CG PHE A 25 -16.641 -1.511 -10.774 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.510 -0.108 -10.864 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.654 -2.242 -10.100 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.414 0.533 -10.276 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.560 -1.594 -9.521 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.440 -0.208 -9.606 1.00 12.44 C ATOM 0 H PHE A 25 -19.074 0.247 -10.283 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.955 -2.293 -11.488 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.692 -3.324 -11.272 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.760 -2.095 -12.520 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -17.257 0.471 -11.387 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.740 -3.316 -10.027 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -15.321 1.607 -10.341 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.805 -2.169 -9.006 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.595 0.291 -9.154 1.00 12.44 H new ATOM 401 N GLU A 26 -19.974 -3.299 -9.228 1.00 0.00 N ATOM 402 CA GLU A 26 -20.188 -3.767 -7.838 1.00 0.00 C ATOM 403 C GLU A 26 -18.941 -4.519 -7.394 1.00 0.00 C ATOM 404 O GLU A 26 -18.187 -5.021 -8.204 1.00 0.00 O ATOM 405 CB GLU A 26 -21.421 -4.685 -7.780 1.00 0.00 C ATOM 406 CG GLU A 26 -21.111 -6.058 -8.396 1.00 0.00 C ATOM 407 CD GLU A 26 -20.458 -5.875 -9.768 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.968 -5.083 -10.544 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.458 -6.529 -10.017 1.00 0.00 O ATOM 0 H GLU A 26 -20.354 -3.909 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.365 -2.921 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.738 -4.810 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.250 -4.221 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.447 -6.620 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.028 -6.638 -8.494 1.00 0.00 H new ATOM 416 N LYS A 27 -18.708 -4.593 -6.125 1.00 8.66 N ATOM 417 CA LYS A 27 -17.505 -5.300 -5.648 1.00 8.68 C ATOM 418 C LYS A 27 -17.497 -6.725 -6.202 1.00 6.65 C ATOM 419 O LYS A 27 -18.532 -7.331 -6.403 1.00 10.38 O ATOM 420 CB LYS A 27 -17.520 -5.293 -4.122 1.00 12.96 C ATOM 421 CG LYS A 27 -18.579 -6.279 -3.576 1.00 12.48 C ATOM 422 CD LYS A 27 -17.923 -7.617 -3.184 1.00 20.52 C ATOM 423 CE LYS A 27 -17.331 -7.519 -1.775 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.430 -7.594 -0.770 1.00 29.03 N ATOM 0 H LYS A 27 -19.300 -4.194 -5.396 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.598 -4.805 -5.995 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.535 -5.565 -3.743 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.734 -4.287 -3.761 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -19.076 -5.844 -2.709 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.347 -6.451 -4.331 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.661 -8.418 -3.222 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -17.140 -7.871 -3.899 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.618 -8.327 -1.611 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.784 -6.583 -1.663 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -18.031 -7.816 0.164 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.924 -6.680 -0.727 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -19.102 -8.338 -1.046 1.00 29.03 H new ATOM 438 N GLY A 28 -16.336 -7.259 -6.470 1.00 5.06 N ATOM 439 CA GLY A 28 -16.256 -8.636 -7.032 1.00 4.39 C ATOM 440 C GLY A 28 -16.422 -8.572 -8.552 1.00 6.18 C ATOM 441 O GLY A 28 -17.143 -9.359 -9.135 1.00 5.61 O ATOM 0 H GLY A 28 -15.438 -6.799 -6.323 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.298 -9.090 -6.778 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.032 -9.265 -6.596 1.00 4.39 H new ATOM 445 N GLU A 29 -15.766 -7.635 -9.196 1.00 7.06 N ATOM 446 CA GLU A 29 -15.882 -7.499 -10.686 1.00 6.19 C ATOM 447 C GLU A 29 -14.501 -7.686 -11.322 1.00 6.67 C ATOM 448 O GLU A 29 -13.610 -6.881 -11.141 1.00 8.12 O ATOM 449 CB GLU A 29 -16.391 -6.083 -11.022 1.00 6.64 C ATOM 450 CG GLU A 29 -16.933 -5.954 -12.479 1.00 9.52 C ATOM 451 CD GLU A 29 -16.520 -7.141 -13.364 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.205 -8.149 -13.328 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.532 -7.012 -14.064 1.00 8.99 O ATOM 0 H GLU A 29 -15.151 -6.954 -8.751 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.573 -8.250 -11.069 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.182 -5.813 -10.322 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.580 -5.369 -10.878 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.020 -5.883 -12.455 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.563 -5.029 -12.921 1.00 9.52 H new ATOM 460 N THR A 30 -14.327 -8.719 -12.091 1.00 0.00 N ATOM 461 CA THR A 30 -13.013 -8.931 -12.763 1.00 0.00 C ATOM 462 C THR A 30 -12.906 -7.909 -13.879 1.00 0.00 C ATOM 463 O THR A 30 -13.593 -8.023 -14.873 1.00 0.00 O ATOM 464 CB THR A 30 -13.007 -10.321 -13.405 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.566 -11.263 -12.502 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.576 -10.718 -13.747 1.00 0.00 C ATOM 0 H THR A 30 -15.035 -9.427 -12.286 1.00 0.00 H new ATOM 0 HA THR A 30 -12.195 -8.838 -12.049 1.00 0.00 H new ATOM 0 HB THR A 30 -13.602 -10.303 -14.318 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.564 -12.152 -12.914 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.572 -11.708 -14.204 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.155 -9.994 -14.445 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.976 -10.736 -12.837 1.00 0.00 H new ATOM 474 N MET A 31 -12.068 -6.916 -13.749 1.00 0.00 N ATOM 475 CA MET A 31 -11.967 -5.914 -14.845 1.00 0.00 C ATOM 476 C MET A 31 -10.688 -6.116 -15.631 1.00 0.00 C ATOM 477 O MET A 31 -9.609 -6.311 -15.108 1.00 0.00 O ATOM 478 CB MET A 31 -12.083 -4.491 -14.282 1.00 0.00 C ATOM 479 CG MET A 31 -13.557 -4.229 -13.855 1.00 0.00 C ATOM 480 SD MET A 31 -13.617 -3.732 -12.114 1.00 0.00 S ATOM 481 CE MET A 31 -13.108 -2.013 -12.362 1.00 0.00 C ATOM 0 H MET A 31 -11.459 -6.757 -12.946 1.00 0.00 H new ATOM 0 HA MET A 31 -12.797 -6.057 -15.537 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.417 -4.370 -13.428 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.774 -3.764 -15.033 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.992 -3.449 -14.480 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.154 -5.129 -14.006 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.685 -1.622 -11.437 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.359 -1.966 -13.152 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.974 -1.415 -12.647 1.00 0.00 H new ATOM 491 N GLU A 32 -10.855 -6.092 -16.910 1.00 0.00 N ATOM 492 CA GLU A 32 -9.749 -6.298 -17.863 1.00 0.00 C ATOM 493 C GLU A 32 -9.159 -4.922 -18.182 1.00 0.00 C ATOM 494 O GLU A 32 -9.738 -4.135 -18.902 1.00 0.00 O ATOM 495 CB GLU A 32 -10.340 -6.983 -19.124 1.00 0.00 C ATOM 496 CG GLU A 32 -11.891 -6.968 -19.063 1.00 0.00 C ATOM 497 CD GLU A 32 -12.452 -7.397 -20.419 1.00 0.00 C ATOM 498 OE1 GLU A 32 -11.702 -7.377 -21.381 1.00 0.00 O ATOM 499 OE2 GLU A 32 -13.622 -7.741 -20.472 1.00 0.00 O ATOM 0 H GLU A 32 -11.758 -5.930 -17.355 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.957 -6.932 -17.465 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.999 -6.467 -20.021 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.981 -8.010 -19.191 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.243 -7.641 -18.281 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.247 -5.970 -18.808 1.00 0.00 H new ATOM 506 N VAL A 33 -8.035 -4.617 -17.603 1.00 0.00 N ATOM 507 CA VAL A 33 -7.428 -3.276 -17.817 1.00 0.00 C ATOM 508 C VAL A 33 -7.050 -3.058 -19.289 1.00 0.00 C ATOM 509 O VAL A 33 -5.959 -3.388 -19.707 1.00 0.00 O ATOM 510 CB VAL A 33 -6.173 -3.143 -16.944 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.838 -1.660 -16.749 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.433 -3.785 -15.580 1.00 0.00 C ATOM 0 H VAL A 33 -7.509 -5.239 -16.989 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.164 -2.521 -17.541 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.337 -3.644 -17.433 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.947 -1.567 -16.129 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.655 -1.198 -17.719 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.674 -1.159 -16.260 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.543 -3.692 -14.958 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.269 -3.282 -15.094 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.673 -4.840 -15.714 1.00 0.00 H new ATOM 522 N ILE A 34 -7.930 -2.484 -20.072 1.00 0.00 N ATOM 523 CA ILE A 34 -7.581 -2.237 -21.512 1.00 0.00 C ATOM 524 C ILE A 34 -6.344 -1.325 -21.609 1.00 0.00 C ATOM 525 O ILE A 34 -5.415 -1.608 -22.338 1.00 0.00 O ATOM 526 CB ILE A 34 -8.739 -1.538 -22.252 1.00 0.00 C ATOM 527 CG1 ILE A 34 -9.936 -2.493 -22.383 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.258 -1.117 -23.656 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.143 -1.757 -22.998 1.00 0.00 C ATOM 0 H ILE A 34 -8.860 -2.179 -19.786 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.383 -3.206 -21.969 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.050 -0.659 -21.687 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.664 -3.344 -23.007 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.203 -2.889 -21.403 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.072 -0.622 -24.186 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.416 -0.431 -23.562 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.946 -2.000 -24.214 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.983 -2.446 -23.085 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.424 -0.921 -22.358 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.876 -1.384 -23.987 1.00 0.00 H new ATOM 541 N GLU A 35 -6.345 -0.210 -20.916 1.00 0.00 N ATOM 542 CA GLU A 35 -5.189 0.735 -21.015 1.00 0.00 C ATOM 543 C GLU A 35 -4.961 1.446 -19.696 1.00 0.00 C ATOM 544 O GLU A 35 -5.834 1.532 -18.856 1.00 0.00 O ATOM 545 CB GLU A 35 -5.477 1.776 -22.111 1.00 0.00 C ATOM 546 CG GLU A 35 -4.165 2.375 -22.629 1.00 0.00 C ATOM 547 CD GLU A 35 -3.474 1.373 -23.559 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.133 0.882 -24.460 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.302 1.112 -23.350 1.00 0.00 O ATOM 0 H GLU A 35 -7.094 0.085 -20.289 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.293 0.166 -21.263 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.021 1.309 -22.932 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.114 2.566 -21.714 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.364 3.304 -23.163 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.511 2.621 -21.793 1.00 0.00 H new ATOM 556 N LYS A 36 -3.759 1.930 -19.503 1.00 0.00 N ATOM 557 CA LYS A 36 -3.410 2.616 -18.232 1.00 0.00 C ATOM 558 C LYS A 36 -2.630 3.916 -18.509 1.00 0.00 C ATOM 559 O LYS A 36 -1.484 4.029 -18.119 1.00 0.00 O ATOM 560 CB LYS A 36 -2.522 1.651 -17.415 1.00 0.00 C ATOM 561 CG LYS A 36 -3.015 0.191 -17.576 1.00 0.00 C ATOM 562 CD LYS A 36 -2.286 -0.513 -18.735 1.00 0.00 C ATOM 563 CE LYS A 36 -3.049 -1.788 -19.136 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.456 -1.464 -19.498 1.00 0.00 N ATOM 0 H LYS A 36 -3.000 1.876 -20.182 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.318 2.877 -17.688 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.487 1.730 -17.748 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.541 1.933 -16.362 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.847 -0.358 -16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.089 0.184 -17.760 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.209 0.159 -19.590 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.269 -0.766 -18.436 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.551 -2.266 -19.980 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.035 -2.501 -18.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.070 -2.269 -19.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.766 -0.623 -18.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.517 -1.273 -20.519 1.00 0.00 H new ATOM 578 N PRO A 37 -3.274 4.880 -19.134 1.00 0.00 N ATOM 579 CA PRO A 37 -2.642 6.177 -19.404 1.00 0.00 C ATOM 580 C PRO A 37 -2.572 6.977 -18.111 1.00 0.00 C ATOM 581 O PRO A 37 -3.230 6.671 -17.137 1.00 0.00 O ATOM 582 CB PRO A 37 -3.568 6.879 -20.409 1.00 0.00 C ATOM 583 CG PRO A 37 -4.898 6.091 -20.405 1.00 0.00 C ATOM 584 CD PRO A 37 -4.657 4.767 -19.637 1.00 0.00 C ATOM 0 HA PRO A 37 -1.629 6.076 -19.793 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.732 7.918 -20.125 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.125 6.887 -21.405 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.686 6.673 -19.927 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.226 5.888 -21.425 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.368 4.647 -18.820 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.773 3.902 -20.290 1.00 0.00 H new ATOM 592 N GLU A 38 -1.794 8.007 -18.109 1.00 0.00 N ATOM 593 CA GLU A 38 -1.684 8.858 -16.887 1.00 0.00 C ATOM 594 C GLU A 38 -2.707 9.989 -16.998 1.00 0.00 C ATOM 595 O GLU A 38 -3.440 10.257 -16.072 1.00 0.00 O ATOM 596 CB GLU A 38 -0.269 9.445 -16.800 1.00 0.00 C ATOM 597 CG GLU A 38 -0.049 10.105 -15.430 1.00 0.00 C ATOM 598 CD GLU A 38 -0.702 11.491 -15.397 1.00 0.00 C ATOM 599 OE1 GLU A 38 -1.092 11.975 -16.447 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.799 12.046 -14.315 1.00 0.00 O ATOM 0 H GLU A 38 -1.223 8.306 -18.899 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.876 8.266 -15.992 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.469 8.658 -16.955 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.123 10.179 -17.593 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.471 9.478 -14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.019 10.193 -15.228 1.00 0.00 H new ATOM 607 N ASN A 39 -2.761 10.620 -18.149 1.00 0.00 N ATOM 608 CA ASN A 39 -3.726 11.734 -18.404 1.00 0.00 C ATOM 609 C ASN A 39 -3.522 12.849 -17.380 1.00 0.00 C ATOM 610 O ASN A 39 -3.202 13.970 -17.720 1.00 0.00 O ATOM 611 CB ASN A 39 -5.167 11.201 -18.325 1.00 0.00 C ATOM 612 CG ASN A 39 -5.528 10.489 -19.633 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.730 10.425 -20.546 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.708 9.946 -19.758 1.00 0.00 N ATOM 0 H ASN A 39 -2.158 10.401 -18.942 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.550 12.138 -19.401 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.264 10.512 -17.486 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.859 12.023 -18.144 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.960 9.468 -20.623 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.378 10.000 -18.991 1.00 0.00 H new ATOM 621 N ASP A 40 -3.674 12.525 -16.133 1.00 0.00 N ATOM 622 CA ASP A 40 -3.476 13.519 -15.035 1.00 0.00 C ATOM 623 C ASP A 40 -4.042 13.027 -13.676 1.00 0.00 C ATOM 624 O ASP A 40 -3.371 13.133 -12.669 1.00 0.00 O ATOM 625 CB ASP A 40 -4.041 14.929 -15.406 1.00 0.00 C ATOM 626 CG ASP A 40 -2.894 15.894 -15.742 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.909 15.440 -16.301 1.00 0.00 O ATOM 628 OD2 ASP A 40 -3.024 17.069 -15.435 1.00 0.00 O ATOM 0 H ASP A 40 -3.934 11.591 -15.815 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.397 13.620 -14.914 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.715 14.845 -16.258 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.625 15.324 -14.575 1.00 0.00 H new ATOM 633 N PRO A 41 -5.241 12.528 -13.681 1.00 0.00 N ATOM 634 CA PRO A 41 -5.902 12.036 -12.459 1.00 0.00 C ATOM 635 C PRO A 41 -5.198 10.767 -11.959 1.00 0.00 C ATOM 636 O PRO A 41 -4.705 10.741 -10.853 1.00 0.00 O ATOM 637 CB PRO A 41 -7.353 11.737 -12.900 1.00 0.00 C ATOM 638 CG PRO A 41 -7.428 11.975 -14.435 1.00 0.00 C ATOM 639 CD PRO A 41 -6.022 12.414 -14.894 1.00 0.00 C ATOM 0 HA PRO A 41 -5.869 12.751 -11.637 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.625 10.710 -12.657 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.055 12.385 -12.376 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.736 11.066 -14.951 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.167 12.741 -14.671 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.585 11.684 -15.576 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.061 13.364 -15.427 1.00 0.00 H new ATOM 647 N GLU A 42 -5.177 9.738 -12.796 1.00 0.00 N ATOM 648 CA GLU A 42 -4.533 8.404 -12.474 1.00 0.00 C ATOM 649 C GLU A 42 -5.523 7.276 -12.834 1.00 0.00 C ATOM 650 O GLU A 42 -5.311 6.122 -12.524 1.00 0.00 O ATOM 651 CB GLU A 42 -4.138 8.286 -10.984 1.00 0.00 C ATOM 652 CG GLU A 42 -2.795 8.997 -10.722 1.00 0.00 C ATOM 653 CD GLU A 42 -2.539 9.097 -9.214 1.00 0.00 C ATOM 654 OE1 GLU A 42 -3.342 8.571 -8.460 1.00 0.00 O ATOM 655 OE2 GLU A 42 -1.544 9.698 -8.842 1.00 0.00 O ATOM 0 H GLU A 42 -5.597 9.772 -13.725 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.617 8.322 -13.059 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.916 8.725 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.060 7.235 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.984 8.448 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.810 9.994 -11.163 1.00 0.00 H new ATOM 662 N TRP A 43 -6.606 7.601 -13.497 1.00 14.29 N ATOM 663 CA TRP A 43 -7.606 6.554 -13.872 1.00 10.30 C ATOM 664 C TRP A 43 -7.050 5.659 -14.989 1.00 6.82 C ATOM 665 O TRP A 43 -6.064 5.978 -15.618 1.00 6.91 O ATOM 666 CB TRP A 43 -8.891 7.225 -14.344 1.00 13.39 C ATOM 667 CG TRP A 43 -9.274 8.328 -13.411 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.817 8.481 -12.148 1.00 13.93 C ATOM 669 CD2 TRP A 43 -10.198 9.430 -13.646 1.00 7.44 C ATOM 670 NE1 TRP A 43 -9.398 9.601 -11.596 1.00 6.63 N ATOM 671 CE2 TRP A 43 -10.253 10.221 -12.477 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.980 9.817 -14.746 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -11.055 11.353 -12.399 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.795 10.960 -14.672 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.830 11.729 -13.498 1.00 8.17 C ATOM 0 H TRP A 43 -6.841 8.548 -13.795 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.815 5.935 -12.999 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.754 7.622 -15.350 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.694 6.490 -14.398 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -8.111 7.831 -11.653 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -9.216 9.931 -10.648 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.955 9.233 -15.654 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -11.079 11.939 -11.492 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -12.397 11.248 -15.522 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -12.454 12.609 -13.445 1.00 8.17 H new ATOM 686 N TRP A 44 -7.688 4.532 -15.224 1.00 6.17 N ATOM 687 CA TRP A 44 -7.222 3.573 -16.281 1.00 5.58 C ATOM 688 C TRP A 44 -8.404 3.202 -17.185 1.00 6.91 C ATOM 689 O TRP A 44 -9.512 3.027 -16.718 1.00 8.86 O ATOM 690 CB TRP A 44 -6.763 2.259 -15.603 1.00 2.99 C ATOM 691 CG TRP A 44 -5.351 2.293 -15.070 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.442 3.296 -15.196 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.675 1.236 -14.323 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.269 2.914 -14.567 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.363 1.656 -14.019 1.00 9.27 C ATOM 696 CE3 TRP A 44 -5.081 -0.039 -13.881 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.481 0.845 -13.307 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.196 -0.858 -13.163 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.897 -0.418 -12.878 1.00 11.72 C ATOM 0 H TRP A 44 -8.523 4.233 -14.721 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.416 4.037 -16.849 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.443 2.031 -14.782 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.847 1.444 -16.322 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.607 4.235 -15.703 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.434 3.497 -14.516 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.080 -0.388 -14.096 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.482 1.191 -13.088 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.518 -1.833 -12.828 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.219 -1.053 -12.328 1.00 11.72 H new ATOM 710 N LYS A 45 -8.176 2.999 -18.458 1.00 0.00 N ATOM 711 CA LYS A 45 -9.299 2.549 -19.319 1.00 0.00 C ATOM 712 C LYS A 45 -9.439 1.066 -19.054 1.00 0.00 C ATOM 713 O LYS A 45 -8.710 0.273 -19.607 1.00 0.00 O ATOM 714 CB LYS A 45 -9.002 2.742 -20.813 1.00 0.00 C ATOM 715 CG LYS A 45 -8.772 4.256 -21.097 1.00 0.00 C ATOM 716 CD LYS A 45 -8.468 4.476 -22.596 1.00 0.00 C ATOM 717 CE LYS A 45 -8.247 5.967 -22.878 1.00 0.00 C ATOM 718 NZ LYS A 45 -7.939 6.160 -24.324 1.00 0.00 N ATOM 0 H LYS A 45 -7.279 3.123 -18.926 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.195 3.126 -19.091 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.120 2.168 -21.098 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.833 2.369 -21.412 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.656 4.826 -20.810 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.944 4.626 -20.492 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.582 3.909 -22.882 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.294 4.103 -23.201 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.137 6.535 -22.606 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.428 6.346 -22.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.789 7.171 -24.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.078 5.630 -24.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.734 5.813 -24.898 1.00 0.00 H new ATOM 732 N CYS A 46 -10.330 0.681 -18.189 1.00 0.00 N ATOM 733 CA CYS A 46 -10.474 -0.764 -17.868 1.00 0.00 C ATOM 734 C CYS A 46 -11.832 -1.266 -18.291 1.00 0.00 C ATOM 735 O CYS A 46 -12.859 -0.716 -17.940 1.00 0.00 O ATOM 736 CB CYS A 46 -10.301 -0.970 -16.362 1.00 0.00 C ATOM 737 SG CYS A 46 -11.777 -0.375 -15.495 1.00 0.00 S ATOM 0 H CYS A 46 -10.965 1.303 -17.690 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.710 -1.322 -18.408 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.140 -2.026 -16.145 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.419 -0.434 -16.010 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.730 -0.166 -16.354 1.00 0.00 H new ATOM 743 N LYS A 47 -11.848 -2.334 -19.024 1.00 0.00 N ATOM 744 CA LYS A 47 -13.134 -2.911 -19.446 1.00 0.00 C ATOM 745 C LYS A 47 -13.627 -3.757 -18.290 1.00 0.00 C ATOM 746 O LYS A 47 -12.820 -4.290 -17.557 1.00 0.00 O ATOM 747 CB LYS A 47 -12.920 -3.799 -20.673 1.00 0.00 C ATOM 748 CG LYS A 47 -14.155 -4.673 -20.922 1.00 0.00 C ATOM 749 CD LYS A 47 -14.093 -5.265 -22.331 1.00 0.00 C ATOM 750 CE LYS A 47 -15.364 -6.068 -22.604 1.00 0.00 C ATOM 751 NZ LYS A 47 -15.434 -6.421 -24.050 1.00 0.00 N ATOM 0 H LYS A 47 -11.019 -2.832 -19.349 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.852 -2.132 -19.704 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.722 -3.180 -21.548 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.044 -4.430 -20.525 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.201 -5.473 -20.183 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.062 -4.079 -20.806 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.989 -4.468 -23.067 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.217 -5.906 -22.429 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.371 -6.974 -21.998 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.241 -5.487 -22.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.300 -6.967 -24.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.447 -5.551 -24.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.604 -6.992 -24.309 1.00 0.00 H new ATOM 765 N ASN A 48 -14.916 -3.920 -18.093 1.00 0.00 N ATOM 766 CA ASN A 48 -15.332 -4.813 -16.951 1.00 0.00 C ATOM 767 C ASN A 48 -15.605 -6.198 -17.534 1.00 0.00 C ATOM 768 O ASN A 48 -16.294 -6.312 -18.521 1.00 0.00 O ATOM 769 CB ASN A 48 -16.532 -4.233 -16.154 1.00 0.00 C ATOM 770 CG ASN A 48 -17.901 -4.348 -16.844 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.771 -3.548 -16.576 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.174 -5.318 -17.663 1.00 0.00 N ATOM 0 H ASN A 48 -15.668 -3.500 -18.640 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.534 -4.882 -16.212 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.586 -4.741 -15.191 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.335 -3.181 -15.949 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.107 -5.396 -18.068 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.456 -6.002 -17.901 1.00 0.00 H new ATOM 779 N ALA A 49 -15.035 -7.272 -17.004 1.00 0.00 N ATOM 780 CA ALA A 49 -15.309 -8.588 -17.640 1.00 0.00 C ATOM 781 C ALA A 49 -16.820 -8.740 -17.777 1.00 0.00 C ATOM 782 O ALA A 49 -17.311 -9.519 -18.570 1.00 0.00 O ATOM 783 CB ALA A 49 -14.748 -9.725 -16.785 1.00 0.00 C ATOM 0 H ALA A 49 -14.419 -7.283 -16.191 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.829 -8.634 -18.618 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.958 -10.680 -17.266 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.670 -9.602 -16.678 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.215 -9.704 -15.800 1.00 0.00 H new ATOM 789 N ARG A 50 -17.563 -7.962 -17.030 1.00 0.00 N ATOM 790 CA ARG A 50 -19.039 -8.027 -17.150 1.00 0.00 C ATOM 791 C ARG A 50 -19.374 -7.556 -18.564 1.00 0.00 C ATOM 792 O ARG A 50 -20.500 -7.615 -19.018 1.00 0.00 O ATOM 793 CB ARG A 50 -19.702 -7.140 -16.069 1.00 0.00 C ATOM 794 CG ARG A 50 -20.162 -8.013 -14.873 1.00 0.00 C ATOM 795 CD ARG A 50 -20.381 -7.160 -13.591 1.00 0.00 C ATOM 796 NE ARG A 50 -21.759 -7.387 -13.028 1.00 0.00 N ATOM 797 CZ ARG A 50 -22.837 -7.259 -13.762 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.753 -6.849 -14.995 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.007 -7.520 -13.243 1.00 0.00 N ATOM 0 H ARG A 50 -17.208 -7.291 -16.349 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.419 -9.036 -16.991 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.997 -6.382 -15.727 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.556 -6.612 -16.494 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.088 -8.526 -15.132 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.416 -8.782 -14.675 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.631 -7.419 -12.844 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.248 -6.104 -13.824 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.856 -7.648 -12.047 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -21.843 -6.625 -15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.597 -6.752 -15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.078 -7.822 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.850 -7.422 -13.810 1.00 0.00 H new ATOM 813 N GLY A 51 -18.358 -7.136 -19.269 1.00 8.07 N ATOM 814 CA GLY A 51 -18.509 -6.698 -20.676 1.00 7.79 C ATOM 815 C GLY A 51 -18.729 -5.182 -20.793 1.00 9.08 C ATOM 816 O GLY A 51 -19.431 -4.740 -21.682 1.00 14.41 O ATOM 0 H GLY A 51 -17.404 -7.079 -18.912 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -17.619 -6.978 -21.239 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.351 -7.221 -21.129 1.00 7.79 H new ATOM 820 N GLN A 52 -18.139 -4.365 -19.934 1.00 0.00 N ATOM 821 CA GLN A 52 -18.348 -2.870 -20.073 1.00 0.00 C ATOM 822 C GLN A 52 -17.054 -2.094 -19.860 1.00 0.00 C ATOM 823 O GLN A 52 -16.091 -2.618 -19.384 1.00 0.00 O ATOM 824 CB GLN A 52 -19.501 -2.401 -19.136 1.00 0.00 C ATOM 825 CG GLN A 52 -19.048 -1.300 -18.160 1.00 0.00 C ATOM 826 CD GLN A 52 -20.162 -1.003 -17.174 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.595 -1.864 -16.434 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.646 0.201 -17.138 1.00 0.00 N ATOM 0 H GLN A 52 -17.538 -4.656 -19.163 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.652 -2.654 -21.097 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.329 -2.030 -19.740 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -19.876 -3.254 -18.570 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.152 -1.619 -17.627 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.786 -0.397 -18.711 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.277 0.918 -17.763 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.395 0.430 -16.485 1.00 0.00 H new ATOM 837 N VAL A 53 -17.019 -0.838 -20.262 1.00 0.00 N ATOM 838 CA VAL A 53 -15.757 -0.041 -20.123 1.00 0.00 C ATOM 839 C VAL A 53 -15.999 1.342 -19.516 1.00 0.00 C ATOM 840 O VAL A 53 -17.068 1.912 -19.608 1.00 0.00 O ATOM 841 CB VAL A 53 -15.113 0.138 -21.508 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.644 0.532 -21.357 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.218 -1.165 -22.312 1.00 0.00 C ATOM 0 H VAL A 53 -17.805 -0.337 -20.677 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.101 -0.593 -19.450 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.643 0.929 -22.039 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.197 0.656 -22.343 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.574 1.470 -20.806 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.112 -0.249 -20.814 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.759 -1.027 -23.291 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.702 -1.964 -21.779 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.267 -1.431 -22.438 1.00 0.00 H new ATOM 853 N GLY A 54 -14.975 1.870 -18.898 1.00 3.62 N ATOM 854 CA GLY A 54 -15.058 3.216 -18.262 1.00 3.70 C ATOM 855 C GLY A 54 -13.776 3.475 -17.456 1.00 4.69 C ATOM 856 O GLY A 54 -13.098 2.557 -17.038 1.00 7.25 O ATOM 0 H GLY A 54 -14.067 1.415 -18.806 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.184 3.984 -19.025 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.929 3.270 -17.609 1.00 3.70 H new ATOM 860 N LEU A 55 -13.450 4.716 -17.223 1.00 0.00 N ATOM 861 CA LEU A 55 -12.225 5.043 -16.432 1.00 0.00 C ATOM 862 C LEU A 55 -12.486 4.695 -14.957 1.00 0.00 C ATOM 863 O LEU A 55 -13.611 4.735 -14.498 1.00 0.00 O ATOM 864 CB LEU A 55 -11.930 6.547 -16.584 1.00 0.00 C ATOM 865 CG LEU A 55 -11.026 6.796 -17.807 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.625 6.163 -17.604 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.702 6.209 -19.054 1.00 0.00 C ATOM 0 H LEU A 55 -13.981 5.524 -17.547 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.367 4.472 -16.788 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.864 7.098 -16.696 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.445 6.922 -15.683 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.887 7.870 -17.933 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.009 6.354 -18.482 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.151 6.602 -16.726 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.729 5.087 -17.461 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.070 6.380 -19.925 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.850 5.138 -18.918 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.667 6.692 -19.206 1.00 0.00 H new ATOM 879 N VAL A 56 -11.464 4.345 -14.214 1.00 0.00 N ATOM 880 CA VAL A 56 -11.680 3.985 -12.778 1.00 0.00 C ATOM 881 C VAL A 56 -10.362 4.202 -11.994 1.00 0.00 C ATOM 882 O VAL A 56 -9.317 3.813 -12.479 1.00 0.00 O ATOM 883 CB VAL A 56 -12.094 2.498 -12.714 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.872 1.587 -12.894 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.745 2.188 -11.367 1.00 0.00 C ATOM 0 H VAL A 56 -10.498 4.293 -14.536 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.458 4.608 -12.337 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.805 2.313 -13.519 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.185 0.544 -12.846 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.412 1.783 -13.862 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.150 1.786 -12.102 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.032 1.137 -11.335 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -12.037 2.395 -10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.631 2.810 -11.239 1.00 0.00 H new ATOM 895 N PRO A 57 -10.412 4.784 -10.801 1.00 3.33 N ATOM 896 CA PRO A 57 -9.180 4.981 -10.017 1.00 2.75 C ATOM 897 C PRO A 57 -8.428 3.647 -9.928 1.00 4.32 C ATOM 898 O PRO A 57 -8.894 2.693 -9.337 1.00 4.76 O ATOM 899 CB PRO A 57 -9.656 5.478 -8.634 1.00 2.92 C ATOM 900 CG PRO A 57 -11.187 5.740 -8.737 1.00 3.30 C ATOM 901 CD PRO A 57 -11.643 5.283 -10.144 1.00 2.53 C ATOM 0 HA PRO A 57 -8.491 5.699 -10.461 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -9.444 4.735 -7.865 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -9.129 6.389 -8.351 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.723 5.191 -7.963 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -11.406 6.797 -8.587 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -12.401 4.502 -10.079 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -12.083 6.108 -10.704 1.00 2.53 H new ATOM 909 N LYS A 58 -7.276 3.575 -10.535 1.00 0.00 N ATOM 910 CA LYS A 58 -6.491 2.311 -10.521 1.00 0.00 C ATOM 911 C LYS A 58 -6.140 1.904 -9.085 1.00 0.00 C ATOM 912 O LYS A 58 -5.455 0.925 -8.861 1.00 0.00 O ATOM 913 CB LYS A 58 -5.211 2.522 -11.341 1.00 0.00 C ATOM 914 CG LYS A 58 -4.232 3.478 -10.601 1.00 0.00 C ATOM 915 CD LYS A 58 -2.927 3.645 -11.402 1.00 0.00 C ATOM 916 CE LYS A 58 -1.884 4.389 -10.559 1.00 0.00 C ATOM 917 NZ LYS A 58 -2.335 5.790 -10.335 1.00 0.00 N ATOM 0 H LYS A 58 -6.842 4.345 -11.044 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.086 1.509 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.725 1.563 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.463 2.937 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.704 4.450 -10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.009 3.083 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.542 2.668 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.123 4.196 -12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.745 3.883 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.919 4.383 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.605 6.309 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.495 6.254 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.220 5.787 -9.789 1.00 0.00 H new ATOM 931 N ASN A 59 -6.603 2.645 -8.110 1.00 10.56 N ATOM 932 CA ASN A 59 -6.301 2.302 -6.681 1.00 9.74 C ATOM 933 C ASN A 59 -7.527 1.622 -6.052 1.00 9.95 C ATOM 934 O ASN A 59 -7.477 1.136 -4.940 1.00 8.95 O ATOM 935 CB ASN A 59 -5.968 3.592 -5.914 1.00 10.40 C ATOM 936 CG ASN A 59 -4.638 4.161 -6.416 1.00 12.58 C ATOM 937 OD1 ASN A 59 -4.355 5.328 -6.230 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.806 3.382 -7.048 1.00 14.09 N ATOM 0 H ASN A 59 -7.180 3.476 -8.240 1.00 10.56 H new ATOM 0 HA ASN A 59 -5.450 1.622 -6.633 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -6.763 4.324 -6.052 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -5.906 3.386 -4.845 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.918 3.752 -7.386 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -4.043 2.402 -7.204 1.00 14.09 H new ATOM 945 N TYR A 60 -8.627 1.592 -6.757 1.00 10.23 N ATOM 946 CA TYR A 60 -9.862 0.955 -6.206 1.00 5.50 C ATOM 947 C TYR A 60 -9.874 -0.539 -6.569 1.00 5.21 C ATOM 948 O TYR A 60 -10.854 -1.225 -6.363 1.00 7.16 O ATOM 949 CB TYR A 60 -11.095 1.638 -6.828 1.00 3.37 C ATOM 950 CG TYR A 60 -11.457 2.894 -6.061 1.00 2.00 C ATOM 951 CD1 TYR A 60 -10.456 3.759 -5.601 1.00 4.04 C ATOM 952 CD2 TYR A 60 -12.804 3.194 -5.820 1.00 2.00 C ATOM 953 CE1 TYR A 60 -10.802 4.920 -4.901 1.00 4.04 C ATOM 954 CE2 TYR A 60 -13.150 4.354 -5.120 1.00 2.69 C ATOM 955 CZ TYR A 60 -12.148 5.220 -4.662 1.00 4.45 C ATOM 956 OH TYR A 60 -12.489 6.367 -3.972 1.00 9.52 O ATOM 0 H TYR A 60 -8.725 1.982 -7.694 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.881 1.065 -5.122 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.892 1.888 -7.869 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.939 0.948 -6.825 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -9.417 3.530 -5.787 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -13.577 2.528 -6.175 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -10.030 5.585 -4.545 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -14.189 4.582 -4.932 1.00 2.69 H new ATOM 0 HH TYR A 60 -13.464 6.424 -3.894 1.00 9.52 H new ATOM 966 N VAL A 61 -8.798 -1.041 -7.113 1.00 5.00 N ATOM 967 CA VAL A 61 -8.755 -2.485 -7.500 1.00 4.84 C ATOM 968 C VAL A 61 -7.326 -3.015 -7.331 1.00 5.03 C ATOM 969 O VAL A 61 -6.371 -2.265 -7.370 1.00 5.61 O ATOM 970 CB VAL A 61 -9.180 -2.630 -8.970 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.581 -2.044 -9.164 1.00 2.00 C ATOM 972 CG2 VAL A 61 -8.197 -1.877 -9.876 1.00 2.97 C ATOM 0 H VAL A 61 -7.946 -0.515 -7.307 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.433 -3.054 -6.864 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.182 -3.688 -9.231 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.878 -2.149 -10.207 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.289 -2.577 -8.530 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.574 -0.988 -8.893 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.505 -1.985 -10.916 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -8.190 -0.821 -9.607 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.196 -2.290 -9.750 1.00 2.97 H new ATOM 982 N VAL A 62 -7.174 -4.308 -7.163 1.00 0.00 N ATOM 983 CA VAL A 62 -5.803 -4.900 -7.013 1.00 0.00 C ATOM 984 C VAL A 62 -5.456 -5.640 -8.300 1.00 0.00 C ATOM 985 O VAL A 62 -6.321 -5.972 -9.067 1.00 0.00 O ATOM 986 CB VAL A 62 -5.783 -5.891 -5.847 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.890 -6.930 -6.035 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.429 -6.598 -5.798 1.00 0.00 C ATOM 0 H VAL A 62 -7.940 -4.980 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.081 -4.107 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.946 -5.351 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.873 -7.634 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.858 -6.429 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.729 -7.468 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.417 -7.303 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.265 -7.135 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.638 -5.861 -5.660 1.00 0.00 H new ATOM 998 N VAL A 63 -4.199 -5.897 -8.539 1.00 0.00 N ATOM 999 CA VAL A 63 -3.785 -6.621 -9.789 1.00 0.00 C ATOM 1000 C VAL A 63 -3.346 -8.044 -9.443 1.00 0.00 C ATOM 1001 O VAL A 63 -2.607 -8.266 -8.505 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.622 -5.874 -10.447 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.064 -6.704 -11.604 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.122 -4.529 -10.979 1.00 0.00 C ATOM 0 H VAL A 63 -3.430 -5.637 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.629 -6.664 -10.477 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.835 -5.708 -9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.236 -6.169 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.709 -7.663 -11.226 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.848 -6.873 -12.342 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.297 -3.994 -11.448 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.909 -4.698 -11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.517 -3.936 -10.154 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.806 -9.010 -10.199 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.434 -10.436 -9.935 1.00 0.00 C ATOM 1016 C LEU A 64 -2.411 -10.894 -10.985 1.00 0.00 C ATOM 1017 O LEU A 64 -1.287 -11.226 -10.660 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.700 -11.308 -10.024 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.675 -10.968 -8.878 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.014 -11.713 -9.053 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -5.043 -11.352 -7.532 1.00 0.00 C ATOM 0 H LEU A 64 -4.429 -8.871 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.996 -10.531 -8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.190 -11.150 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.426 -12.362 -9.975 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.872 -9.896 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.683 -11.456 -8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.471 -11.422 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.835 -12.788 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.734 -11.111 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.831 -12.421 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.115 -10.797 -7.394 1.00 0.00 H new ATOM 1033 N SER A 65 -2.787 -10.917 -12.238 1.00 0.00 N ATOM 1034 CA SER A 65 -1.823 -11.358 -13.290 1.00 0.00 C ATOM 1035 C SER A 65 -0.729 -10.301 -13.456 1.00 0.00 C ATOM 1036 O SER A 65 -0.942 -9.131 -13.213 1.00 0.00 O ATOM 1037 CB SER A 65 -2.559 -11.557 -14.621 1.00 0.00 C ATOM 1038 OG SER A 65 -3.656 -12.438 -14.416 1.00 0.00 O ATOM 0 H SER A 65 -3.712 -10.652 -12.576 1.00 0.00 H new ATOM 0 HA SER A 65 -1.370 -12.303 -12.990 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.912 -10.599 -15.003 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.881 -11.968 -15.369 1.00 0.00 H new ATOM 0 HG SER A 65 -4.491 -11.980 -14.647 1.00 0.00 H new ATOM 1044 N ASP A 66 0.446 -10.707 -13.859 1.00 0.00 N ATOM 1045 CA ASP A 66 1.561 -9.729 -14.037 1.00 0.00 C ATOM 1046 C ASP A 66 2.448 -10.175 -15.202 1.00 0.00 C ATOM 1047 O ASP A 66 2.540 -11.347 -15.510 1.00 0.00 O ATOM 1048 CB ASP A 66 2.393 -9.673 -12.754 1.00 0.00 C ATOM 1049 CG ASP A 66 1.648 -8.855 -11.696 1.00 0.00 C ATOM 1050 OD1 ASP A 66 0.770 -8.096 -12.071 1.00 0.00 O ATOM 1051 OD2 ASP A 66 1.969 -9.002 -10.528 1.00 0.00 O ATOM 0 H ASP A 66 0.683 -11.676 -14.073 1.00 0.00 H new ATOM 0 HA ASP A 66 1.152 -8.741 -14.250 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.579 -10.681 -12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.365 -9.224 -12.958 1.00 0.00 H new ATOM 1056 N GLY A 67 3.104 -9.251 -15.851 1.00 0.00 N ATOM 1057 CA GLY A 67 3.986 -9.625 -16.996 1.00 0.00 C ATOM 1058 C GLY A 67 5.356 -10.072 -16.468 1.00 0.00 C ATOM 1059 O GLY A 67 5.704 -11.231 -16.582 1.00 0.00 O ATOM 0 H GLY A 67 3.068 -8.254 -15.639 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.528 -10.428 -17.573 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.104 -8.776 -17.669 1.00 0.00 H new ATOM 1063 N PRO A 68 6.103 -9.146 -15.898 1.00 0.00 N ATOM 1064 CA PRO A 68 7.436 -9.466 -15.350 1.00 0.00 C ATOM 1065 C PRO A 68 7.303 -10.542 -14.262 1.00 0.00 C ATOM 1066 O PRO A 68 7.092 -10.242 -13.104 1.00 0.00 O ATOM 1067 CB PRO A 68 7.960 -8.130 -14.770 1.00 0.00 C ATOM 1068 CG PRO A 68 6.846 -7.061 -14.976 1.00 0.00 C ATOM 1069 CD PRO A 68 5.690 -7.734 -15.753 1.00 0.00 C ATOM 0 HA PRO A 68 8.121 -9.865 -16.099 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.196 -8.238 -13.711 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.879 -7.828 -15.273 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.494 -6.685 -14.015 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.233 -6.206 -15.530 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.748 -7.651 -15.211 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.540 -7.264 -16.725 1.00 0.00 H new ATOM 1077 N ALA A 69 7.446 -11.793 -14.631 1.00 0.00 N ATOM 1078 CA ALA A 69 7.353 -12.902 -13.641 1.00 0.00 C ATOM 1079 C ALA A 69 8.714 -13.576 -13.560 1.00 0.00 C ATOM 1080 O ALA A 69 8.966 -14.589 -14.182 1.00 0.00 O ATOM 1081 CB ALA A 69 6.308 -13.918 -14.111 1.00 0.00 C ATOM 0 H ALA A 69 7.625 -12.092 -15.590 1.00 0.00 H new ATOM 0 HA ALA A 69 7.061 -12.517 -12.664 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.239 -14.730 -13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.338 -13.428 -14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.602 -14.320 -15.081 1.00 0.00 H new ATOM 1087 N LEU A 70 9.588 -13.011 -12.792 1.00 0.00 N ATOM 1088 CA LEU A 70 10.954 -13.590 -12.638 1.00 0.00 C ATOM 1089 C LEU A 70 10.924 -14.674 -11.561 1.00 0.00 C ATOM 1090 O LEU A 70 10.510 -14.441 -10.442 1.00 0.00 O ATOM 1091 CB LEU A 70 11.933 -12.484 -12.222 1.00 0.00 C ATOM 1092 CG LEU A 70 12.179 -11.519 -13.401 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.621 -10.151 -12.867 1.00 0.00 C ATOM 1094 CD2 LEU A 70 13.279 -12.070 -14.321 1.00 0.00 C ATOM 0 H LEU A 70 9.419 -12.161 -12.254 1.00 0.00 H new ATOM 0 HA LEU A 70 11.277 -14.024 -13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.532 -11.935 -11.370 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.876 -12.925 -11.901 1.00 0.00 H new ATOM 0 HG LEU A 70 11.251 -11.418 -13.965 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.794 -9.473 -13.703 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.842 -9.743 -12.223 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.542 -10.264 -12.295 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.442 -11.379 -15.148 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.204 -12.183 -13.755 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.973 -13.040 -14.713 1.00 0.00 H new ATOM 1106 N HIS A 71 11.358 -15.861 -11.886 1.00 0.00 N ATOM 1107 CA HIS A 71 11.353 -16.959 -10.876 1.00 0.00 C ATOM 1108 C HIS A 71 9.971 -17.042 -10.222 1.00 0.00 C ATOM 1109 CB HIS A 71 12.407 -16.671 -9.806 1.00 0.00 C ATOM 1110 CG HIS A 71 12.601 -17.892 -8.949 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.746 -18.980 -9.008 1.00 0.00 N ATOM 1112 CD2 HIS A 71 13.552 -18.213 -8.012 1.00 0.00 C ATOM 1113 CE1 HIS A 71 12.190 -19.895 -8.128 1.00 0.00 C ATOM 1114 NE2 HIS A 71 13.290 -19.478 -7.494 1.00 0.00 N ATOM 0 H HIS A 71 11.716 -16.119 -12.806 1.00 0.00 H new ATOM 0 HA HIS A 71 11.582 -17.906 -11.365 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.350 -16.390 -10.276 1.00 0.00 H new ATOM 0 HB3 HIS A 71 12.094 -15.828 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 71 14.378 -17.580 -7.721 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.716 -20.850 -7.955 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.823 -19.979 -6.783 1.00 0.00 H new ATOM 1123 N GLY B 72 -15.254 -11.844 7.430 1.00 0.00 N ATOM 1124 CA GLY B 72 -14.300 -12.139 6.326 1.00 0.00 C ATOM 1125 C GLY B 72 -13.755 -10.827 5.756 1.00 0.00 C ATOM 1126 O GLY B 72 -13.826 -10.577 4.571 1.00 0.00 O ATOM 0 HA2 GLY B 72 -13.480 -12.756 6.695 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.800 -12.708 5.542 1.00 0.00 H new ATOM 1131 N SER B 73 -13.215 -9.985 6.595 1.00 0.00 N ATOM 1132 CA SER B 73 -12.669 -8.691 6.100 1.00 0.00 C ATOM 1133 C SER B 73 -11.296 -8.924 5.467 1.00 0.00 C ATOM 1134 O SER B 73 -10.616 -9.884 5.773 1.00 0.00 O ATOM 1135 CB SER B 73 -12.529 -7.717 7.271 1.00 0.00 C ATOM 1136 OG SER B 73 -13.711 -7.758 8.060 1.00 0.00 O ATOM 0 H SER B 73 -13.129 -10.138 7.600 1.00 0.00 H new ATOM 0 HA SER B 73 -13.346 -8.273 5.355 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.663 -7.982 7.878 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.360 -6.706 6.900 1.00 0.00 H new ATOM 0 HG SER B 73 -13.624 -7.136 8.812 1.00 0.00 H new ATOM 1142 N MET B 74 -10.883 -8.055 4.585 1.00 0.00 N ATOM 1143 CA MET B 74 -9.555 -8.229 3.932 1.00 0.00 C ATOM 1144 C MET B 74 -8.490 -8.478 5.002 1.00 0.00 C ATOM 1145 O MET B 74 -8.725 -8.297 6.180 1.00 0.00 O ATOM 1146 CB MET B 74 -9.204 -6.965 3.146 1.00 0.00 C ATOM 1147 CG MET B 74 -10.418 -6.518 2.328 1.00 0.00 C ATOM 1148 SD MET B 74 -9.914 -5.240 1.150 1.00 0.00 S ATOM 1149 CE MET B 74 -11.489 -4.350 1.092 1.00 0.00 C ATOM 0 H MET B 74 -11.408 -7.232 4.289 1.00 0.00 H new ATOM 0 HA MET B 74 -9.592 -9.080 3.252 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.901 -6.172 3.829 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.358 -7.158 2.486 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.846 -7.369 1.797 1.00 0.00 H new ATOM 0 HG3 MET B 74 -11.194 -6.132 2.990 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.783 -4.199 0.053 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.255 -4.932 1.605 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.379 -3.383 1.582 1.00 0.00 H new ATOM 1159 N GLY B 75 -7.318 -8.890 4.602 1.00 0.00 N ATOM 1160 CA GLY B 75 -6.240 -9.149 5.598 1.00 0.00 C ATOM 1161 C GLY B 75 -4.916 -9.385 4.869 1.00 0.00 C ATOM 1162 O GLY B 75 -4.192 -10.317 5.163 1.00 0.00 O ATOM 0 H GLY B 75 -7.061 -9.058 3.629 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -6.147 -8.302 6.277 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.493 -10.018 6.205 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.592 -8.545 3.922 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.313 -8.724 3.175 1.00 0.00 C ATOM 1168 C VAL B 76 -2.865 -7.371 2.605 1.00 0.00 C ATOM 1169 O VAL B 76 -3.639 -6.691 1.961 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.528 -9.703 2.012 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.584 -9.357 0.861 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -3.241 -11.136 2.456 1.00 0.00 C ATOM 0 H VAL B 76 -5.156 -7.745 3.634 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.553 -9.116 3.851 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.566 -9.622 1.688 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.741 -10.055 0.039 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.785 -8.342 0.518 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.552 -9.427 1.204 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -3.399 -11.815 1.618 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.208 -11.212 2.795 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.911 -11.405 3.272 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.618 -7.033 2.827 1.00 0.00 N ATOM 1183 CA PRO B 77 -1.050 -5.787 2.311 1.00 0.00 C ATOM 1184 C PRO B 77 -0.818 -5.934 0.825 1.00 0.00 C ATOM 1185 O PRO B 77 -0.808 -7.024 0.292 1.00 0.00 O ATOM 1186 CB PRO B 77 0.286 -5.626 3.043 1.00 0.00 C ATOM 1187 CG PRO B 77 0.533 -6.931 3.835 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.676 -7.843 3.617 1.00 0.00 C ATOM 0 HA PRO B 77 -1.700 -4.926 2.467 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.094 -5.447 2.334 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.256 -4.768 3.715 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.446 -7.418 3.494 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.664 -6.716 4.896 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.395 -8.753 3.087 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -1.117 -8.150 4.566 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.632 -4.847 0.155 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.401 -4.922 -1.302 1.00 0.00 C ATOM 1198 C ILE B 78 0.748 -4.000 -1.677 1.00 0.00 C ATOM 1199 O ILE B 78 0.720 -2.807 -1.445 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.681 -4.545 -2.032 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.789 -5.461 -1.511 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.488 -4.761 -3.529 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.160 -4.981 -1.967 1.00 0.00 C ATOM 0 H ILE B 78 -0.629 -3.907 0.551 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.130 -5.937 -1.593 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.939 -3.500 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.620 -6.478 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.756 -5.493 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.403 -4.492 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.668 -4.137 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.255 -5.809 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.927 -5.652 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.336 -3.973 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.199 -4.973 -3.056 1.00 0.00 H new ATOM 1215 N CYS B 79 1.773 -4.571 -2.229 1.00 0.00 N ATOM 1216 CA CYS B 79 2.964 -3.777 -2.604 1.00 0.00 C ATOM 1217 C CYS B 79 2.571 -2.675 -3.577 1.00 0.00 C ATOM 1218 O CYS B 79 2.109 -2.923 -4.673 1.00 0.00 O ATOM 1219 CB CYS B 79 4.005 -4.699 -3.235 1.00 0.00 C ATOM 1220 SG CYS B 79 5.338 -3.716 -3.961 1.00 0.00 S ATOM 0 H CYS B 79 1.837 -5.567 -2.439 1.00 0.00 H new ATOM 0 HA CYS B 79 3.389 -3.313 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.409 -5.375 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.539 -5.318 -4.002 1.00 0.00 H new ATOM 0 HG CYS B 79 6.067 -4.472 -4.727 1.00 0.00 H new ATOM 1225 N GLY B 80 2.747 -1.454 -3.169 1.00 0.00 N ATOM 1226 CA GLY B 80 2.385 -0.313 -4.047 1.00 0.00 C ATOM 1227 C GLY B 80 3.282 -0.322 -5.282 1.00 0.00 C ATOM 1228 O GLY B 80 3.172 0.522 -6.149 1.00 0.00 O ATOM 0 H GLY B 80 3.129 -1.195 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.338 -0.385 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.500 0.627 -3.507 1.00 0.00 H new ATOM 1232 N ALA B 81 4.174 -1.269 -5.368 1.00 0.00 N ATOM 1233 CA ALA B 81 5.083 -1.333 -6.546 1.00 0.00 C ATOM 1234 C ALA B 81 4.404 -2.116 -7.666 1.00 0.00 C ATOM 1235 O ALA B 81 4.367 -1.688 -8.803 1.00 0.00 O ATOM 1236 CB ALA B 81 6.388 -2.025 -6.144 1.00 0.00 C ATOM 0 H ALA B 81 4.313 -2.002 -4.673 1.00 0.00 H new ATOM 0 HA ALA B 81 5.305 -0.325 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.055 -2.073 -7.005 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.868 -1.461 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.172 -3.035 -5.796 1.00 0.00 H new ATOM 1242 N CYS B 82 3.872 -3.261 -7.350 1.00 0.00 N ATOM 1243 CA CYS B 82 3.189 -4.089 -8.385 1.00 0.00 C ATOM 1244 C CYS B 82 1.708 -4.212 -8.031 1.00 0.00 C ATOM 1245 O CYS B 82 0.963 -4.923 -8.678 1.00 0.00 O ATOM 1246 CB CYS B 82 3.823 -5.482 -8.415 1.00 0.00 C ATOM 1247 SG CYS B 82 4.205 -6.002 -6.725 1.00 0.00 S ATOM 0 H CYS B 82 3.880 -3.664 -6.413 1.00 0.00 H new ATOM 0 HA CYS B 82 3.294 -3.619 -9.363 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.142 -6.194 -8.882 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.731 -5.468 -9.017 1.00 0.00 H new ATOM 0 HG CYS B 82 5.493 -5.991 -6.548 1.00 0.00 H new ATOM 1252 N ARG B 83 1.274 -3.534 -7.001 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.153 -3.623 -6.605 1.00 0.00 C ATOM 1254 C ARG B 83 -0.515 -5.094 -6.427 1.00 0.00 C ATOM 1255 O ARG B 83 -1.575 -5.539 -6.821 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.036 -2.997 -7.690 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.780 -1.484 -7.760 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.621 -0.855 -8.880 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.165 -1.354 -10.218 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.143 -0.821 -10.833 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.418 0.262 -10.372 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.295 -1.350 -11.944 1.00 0.00 N ATOM 0 H ARG B 83 1.849 -2.924 -6.420 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.314 -3.084 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.823 -3.456 -8.655 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.087 -3.188 -7.472 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.029 -1.021 -6.805 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.278 -1.295 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.673 -1.098 -8.733 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.536 0.231 -8.841 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.664 -2.127 -10.658 1.00 0.00 H new ATOM 0 HH11 ARG B 83 0.059 0.701 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG B 83 1.215 0.670 -10.859 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.161 -2.177 -12.329 1.00 0.00 H new ATOM 0 HH22 ARG B 83 1.093 -0.936 -12.426 1.00 0.00 H new ATOM 1276 N ARG B 84 0.367 -5.853 -5.830 1.00 0.00 N ATOM 1277 CA ARG B 84 0.095 -7.301 -5.612 1.00 0.00 C ATOM 1278 C ARG B 84 0.028 -7.563 -4.103 1.00 0.00 C ATOM 1279 O ARG B 84 0.767 -6.960 -3.350 1.00 0.00 O ATOM 1280 CB ARG B 84 1.235 -8.129 -6.220 1.00 0.00 C ATOM 1281 CG ARG B 84 1.037 -8.250 -7.732 1.00 0.00 C ATOM 1282 CD ARG B 84 0.418 -9.612 -8.057 1.00 0.00 C ATOM 1283 NE ARG B 84 1.439 -10.679 -7.867 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.173 -11.906 -8.223 1.00 0.00 C ATOM 1285 NH1 ARG B 84 0.014 -12.197 -8.748 1.00 0.00 N ATOM 1286 NH2 ARG B 84 2.067 -12.842 -8.055 1.00 0.00 N ATOM 0 H ARG B 84 1.269 -5.528 -5.483 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.847 -7.581 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.194 -7.657 -6.006 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.259 -9.120 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.390 -7.449 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG B 84 1.993 -8.141 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG B 84 -0.441 -9.796 -7.412 1.00 0.00 H new ATOM 0 HD3 ARG B 84 0.053 -9.622 -9.084 1.00 0.00 H new ATOM 0 HE ARG B 84 2.346 -10.451 -7.459 1.00 0.00 H new ATOM 0 HH11 ARG B 84 -0.684 -11.465 -8.880 1.00 0.00 H new ATOM 0 HH12 ARG B 84 -0.194 -13.156 -9.026 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.973 -12.614 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG B 84 1.860 -13.801 -8.333 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.850 -8.447 -3.694 1.00 0.00 N ATOM 1301 CA PRO B 85 -1.004 -8.772 -2.266 1.00 0.00 C ATOM 1302 C PRO B 85 0.327 -9.234 -1.674 1.00 0.00 C ATOM 1303 O PRO B 85 0.842 -10.278 -2.019 1.00 0.00 O ATOM 1304 CB PRO B 85 -2.062 -9.888 -2.229 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.558 -10.118 -3.675 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.747 -9.192 -4.599 1.00 0.00 C ATOM 0 HA PRO B 85 -1.311 -7.912 -1.671 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.636 -10.805 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.892 -9.606 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.424 -11.160 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.623 -9.900 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.181 -9.764 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.399 -8.517 -5.154 1.00 0.00 H new ATOM 1314 N ILE B 86 0.883 -8.463 -0.775 1.00 0.00 N ATOM 1315 CA ILE B 86 2.178 -8.867 -0.155 1.00 0.00 C ATOM 1316 C ILE B 86 1.926 -10.057 0.773 1.00 0.00 C ATOM 1317 O ILE B 86 0.813 -10.288 1.199 1.00 0.00 O ATOM 1318 CB ILE B 86 2.779 -7.689 0.623 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.105 -6.550 -0.352 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.067 -8.134 1.320 1.00 0.00 C ATOM 1321 CD1 ILE B 86 2.989 -5.202 0.367 1.00 0.00 C ATOM 0 H ILE B 86 0.499 -7.577 -0.446 1.00 0.00 H new ATOM 0 HA ILE B 86 2.889 -9.156 -0.929 1.00 0.00 H new ATOM 0 HB ILE B 86 2.061 -7.346 1.368 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.113 -6.676 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.422 -6.579 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.491 -7.295 1.871 1.00 0.00 H new ATOM 0 HG22 ILE B 86 3.845 -8.947 2.011 1.00 0.00 H new ATOM 0 HG23 ILE B 86 4.784 -8.478 0.574 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.222 -4.397 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE B 86 1.973 -5.076 0.742 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.690 -5.173 1.201 1.00 0.00 H new ATOM 1333 N GLU B 87 2.935 -10.830 1.078 1.00 0.00 N ATOM 1334 CA GLU B 87 2.703 -12.013 1.963 1.00 0.00 C ATOM 1335 C GLU B 87 4.019 -12.491 2.581 1.00 0.00 C ATOM 1336 O GLU B 87 4.448 -13.610 2.376 1.00 0.00 O ATOM 1337 CB GLU B 87 2.081 -13.148 1.140 1.00 0.00 C ATOM 1338 CG GLU B 87 2.741 -13.198 -0.241 1.00 0.00 C ATOM 1339 CD GLU B 87 2.432 -14.541 -0.907 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.353 -14.669 -1.462 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.279 -15.415 -0.847 1.00 0.00 O ATOM 0 H GLU B 87 3.895 -10.699 0.760 1.00 0.00 H new ATOM 0 HA GLU B 87 2.027 -11.723 2.767 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.215 -14.100 1.654 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.007 -12.990 1.036 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.374 -12.380 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU B 87 3.819 -13.067 -0.145 1.00 0.00 H new ATOM 1348 N GLY B 88 4.649 -11.654 3.346 1.00 0.00 N ATOM 1349 CA GLY B 88 5.929 -12.036 4.003 1.00 0.00 C ATOM 1350 C GLY B 88 6.354 -10.881 4.896 1.00 0.00 C ATOM 1351 O GLY B 88 5.809 -10.672 5.962 1.00 0.00 O ATOM 0 H GLY B 88 4.330 -10.707 3.549 1.00 0.00 H new ATOM 0 HA2 GLY B 88 5.801 -12.946 4.590 1.00 0.00 H new ATOM 0 HA3 GLY B 88 6.695 -12.244 3.256 1.00 0.00 H new ATOM 1355 N ARG B 89 7.289 -10.105 4.445 1.00 0.00 N ATOM 1356 CA ARG B 89 7.728 -8.924 5.228 1.00 0.00 C ATOM 1357 C ARG B 89 7.307 -7.689 4.443 1.00 0.00 C ATOM 1358 O ARG B 89 7.670 -7.516 3.296 1.00 0.00 O ATOM 1359 CB ARG B 89 9.240 -8.946 5.415 1.00 0.00 C ATOM 1360 CG ARG B 89 9.609 -10.011 6.450 1.00 0.00 C ATOM 1361 CD ARG B 89 11.063 -9.815 6.894 1.00 0.00 C ATOM 1362 NE ARG B 89 11.767 -11.134 6.941 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.200 -12.181 7.479 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.036 -12.077 8.062 1.00 0.00 N ATOM 1365 NH2 ARG B 89 11.809 -13.335 7.453 1.00 0.00 N ATOM 0 H ARG B 89 7.774 -10.238 3.558 1.00 0.00 H new ATOM 0 HA ARG B 89 7.276 -8.925 6.220 1.00 0.00 H new ATOM 0 HB2 ARG B 89 9.732 -9.160 4.466 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.591 -7.968 5.743 1.00 0.00 H new ATOM 0 HG2 ARG B 89 8.943 -9.943 7.310 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.479 -11.006 6.025 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.575 -9.145 6.204 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.091 -9.343 7.876 1.00 0.00 H new ATOM 0 HE ARG B 89 12.704 -11.217 6.547 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.563 -11.174 8.100 1.00 0.00 H new ATOM 0 HH12 ARG B 89 9.600 -12.899 8.480 1.00 0.00 H new ATOM 0 HH21 ARG B 89 12.726 -13.418 7.013 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.368 -14.154 7.872 1.00 0.00 H new ATOM 1379 N VAL B 90 6.507 -6.858 5.033 1.00 0.00 N ATOM 1380 CA VAL B 90 6.004 -5.657 4.305 1.00 0.00 C ATOM 1381 C VAL B 90 6.808 -4.414 4.670 1.00 0.00 C ATOM 1382 O VAL B 90 7.424 -4.339 5.714 1.00 0.00 O ATOM 1383 CB VAL B 90 4.540 -5.424 4.686 1.00 0.00 C ATOM 1384 CG1 VAL B 90 3.963 -4.258 3.873 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.726 -6.693 4.397 1.00 0.00 C ATOM 0 H VAL B 90 6.174 -6.954 5.993 1.00 0.00 H new ATOM 0 HA VAL B 90 6.105 -5.835 3.234 1.00 0.00 H new ATOM 0 HB VAL B 90 4.485 -5.184 5.748 1.00 0.00 H new ATOM 0 HG11 VAL B 90 2.921 -4.101 4.152 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.534 -3.353 4.079 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.023 -4.491 2.810 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.684 -6.526 4.669 1.00 0.00 H new ATOM 0 HG22 VAL B 90 3.791 -6.933 3.336 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.125 -7.522 4.981 1.00 0.00 H new ATOM 1395 N VAL B 91 6.769 -3.423 3.818 1.00 0.00 N ATOM 1396 CA VAL B 91 7.482 -2.152 4.099 1.00 0.00 C ATOM 1397 C VAL B 91 6.447 -1.039 4.057 1.00 0.00 C ATOM 1398 O VAL B 91 5.836 -0.788 3.042 1.00 0.00 O ATOM 1399 CB VAL B 91 8.561 -1.900 3.041 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.904 -0.408 3.000 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.815 -2.694 3.408 1.00 0.00 C ATOM 0 H VAL B 91 6.266 -3.445 2.931 1.00 0.00 H new ATOM 0 HA VAL B 91 7.972 -2.195 5.072 1.00 0.00 H new ATOM 0 HB VAL B 91 8.194 -2.214 2.064 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.672 -0.232 2.247 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.011 0.164 2.749 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.274 -0.093 3.976 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.588 -2.520 2.659 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.177 -2.372 4.385 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.576 -3.757 3.442 1.00 0.00 H new ATOM 1411 N ASN B 92 6.220 -0.385 5.156 1.00 0.00 N ATOM 1412 CA ASN B 92 5.201 0.697 5.162 1.00 0.00 C ATOM 1413 C ASN B 92 5.858 2.023 4.798 1.00 0.00 C ATOM 1414 O ASN B 92 6.574 2.614 5.584 1.00 0.00 O ATOM 1415 CB ASN B 92 4.573 0.792 6.549 1.00 0.00 C ATOM 1416 CG ASN B 92 3.740 -0.461 6.823 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.822 -0.433 7.619 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.020 -1.567 6.189 1.00 0.00 N ATOM 0 H ASN B 92 6.691 -0.550 6.045 1.00 0.00 H new ATOM 0 HA ASN B 92 4.426 0.472 4.429 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.351 0.896 7.305 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.944 1.680 6.614 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.468 -2.407 6.362 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.790 -1.591 5.521 1.00 0.00 H new ATOM 1425 N ALA B 93 5.620 2.493 3.607 1.00 0.00 N ATOM 1426 CA ALA B 93 6.224 3.781 3.173 1.00 0.00 C ATOM 1427 C ALA B 93 5.227 4.515 2.282 1.00 0.00 C ATOM 1428 O ALA B 93 4.320 3.920 1.737 1.00 0.00 O ATOM 1429 CB ALA B 93 7.503 3.501 2.381 1.00 0.00 C ATOM 0 H ALA B 93 5.029 2.037 2.911 1.00 0.00 H new ATOM 0 HA ALA B 93 6.465 4.391 4.044 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.947 4.444 2.062 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.210 2.961 3.011 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.264 2.898 1.505 1.00 0.00 H new ATOM 1435 N MET B 94 5.378 5.802 2.131 1.00 0.00 N ATOM 1436 CA MET B 94 4.422 6.556 1.278 1.00 0.00 C ATOM 1437 C MET B 94 3.026 6.345 1.833 1.00 0.00 C ATOM 1438 O MET B 94 2.029 6.562 1.173 1.00 0.00 O ATOM 1439 CB MET B 94 4.474 6.023 -0.156 1.00 0.00 C ATOM 1440 CG MET B 94 5.928 5.820 -0.597 1.00 0.00 C ATOM 1441 SD MET B 94 6.663 7.425 -0.991 1.00 0.00 S ATOM 1442 CE MET B 94 8.324 7.096 -0.356 1.00 0.00 C ATOM 0 H MET B 94 6.117 6.359 2.559 1.00 0.00 H new ATOM 0 HA MET B 94 4.681 7.615 1.275 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.933 5.079 -0.220 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.977 6.722 -0.829 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.496 5.332 0.195 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.968 5.165 -1.468 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.843 8.040 -0.188 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.252 6.549 0.584 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.879 6.501 -1.081 1.00 0.00 H new ATOM 1452 N GLY B 95 2.960 5.900 3.047 1.00 0.00 N ATOM 1453 CA GLY B 95 1.639 5.640 3.674 1.00 0.00 C ATOM 1454 C GLY B 95 1.024 4.420 2.994 1.00 0.00 C ATOM 1455 O GLY B 95 -0.177 4.249 2.948 1.00 0.00 O ATOM 0 H GLY B 95 3.767 5.703 3.639 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.753 5.463 4.743 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.988 6.507 3.563 1.00 0.00 H new ATOM 1459 N LYS B 96 1.860 3.581 2.448 1.00 0.00 N ATOM 1460 CA LYS B 96 1.375 2.362 1.739 1.00 0.00 C ATOM 1461 C LYS B 96 2.129 1.135 2.247 1.00 0.00 C ATOM 1462 O LYS B 96 2.632 1.106 3.350 1.00 0.00 O ATOM 1463 CB LYS B 96 1.644 2.533 0.239 1.00 0.00 C ATOM 1464 CG LYS B 96 0.837 3.722 -0.312 1.00 0.00 C ATOM 1465 CD LYS B 96 0.004 3.274 -1.518 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.606 4.496 -2.202 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.628 5.109 -1.307 1.00 0.00 N ATOM 0 H LYS B 96 2.874 3.690 2.463 1.00 0.00 H new ATOM 0 HA LYS B 96 0.309 2.227 1.921 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.708 2.696 0.069 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.372 1.621 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.184 4.120 0.464 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.512 4.527 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.630 2.726 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.784 2.594 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS B 96 0.173 5.223 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.063 4.206 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.149 5.843 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.292 4.376 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.157 5.536 -0.484 1.00 0.00 H new ATOM 1481 N GLN B 97 2.207 0.127 1.427 1.00 0.00 N ATOM 1482 CA GLN B 97 2.920 -1.122 1.793 1.00 0.00 C ATOM 1483 C GLN B 97 3.766 -1.514 0.582 1.00 0.00 C ATOM 1484 O GLN B 97 3.363 -1.298 -0.544 1.00 0.00 O ATOM 1485 CB GLN B 97 1.878 -2.202 2.091 1.00 0.00 C ATOM 1486 CG GLN B 97 1.305 -1.972 3.503 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.197 -2.296 3.540 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.837 -2.130 4.558 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.786 -2.755 2.471 1.00 0.00 N ATOM 0 H GLN B 97 1.795 0.119 0.494 1.00 0.00 H new ATOM 0 HA GLN B 97 3.553 -0.996 2.672 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.079 -2.168 1.351 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.332 -3.191 2.026 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.835 -2.597 4.222 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.466 -0.936 3.802 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.251 -2.895 1.614 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.782 -2.974 2.492 1.00 0.00 H new ATOM 1498 N TRP B 98 4.942 -2.046 0.773 1.00 0.00 N ATOM 1499 CA TRP B 98 5.783 -2.384 -0.409 1.00 0.00 C ATOM 1500 C TRP B 98 6.528 -3.700 -0.182 1.00 0.00 C ATOM 1501 O TRP B 98 7.039 -3.949 0.889 1.00 0.00 O ATOM 1502 CB TRP B 98 6.799 -1.256 -0.612 1.00 0.00 C ATOM 1503 CG TRP B 98 6.072 0.045 -0.728 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.650 0.804 0.311 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.677 0.749 -1.934 1.00 0.00 C ATOM 1506 NE1 TRP B 98 5.013 1.929 -0.188 1.00 0.00 N ATOM 1507 CE2 TRP B 98 5.003 1.937 -1.568 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.832 0.469 -3.297 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.505 2.817 -2.529 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.336 1.346 -4.265 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.670 2.520 -3.883 1.00 0.00 C ATOM 0 H TRP B 98 5.352 -2.259 1.682 1.00 0.00 H new ATOM 0 HA TRP B 98 5.147 -2.496 -1.287 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.496 -1.223 0.225 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.388 -1.438 -1.511 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.787 0.571 1.357 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.603 2.660 0.393 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.340 -0.434 -3.603 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.996 3.721 -2.228 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.466 1.119 -5.313 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.286 3.193 -4.635 1.00 0.00 H new ATOM 1522 N HIS B 99 6.632 -4.533 -1.189 1.00 0.00 N ATOM 1523 CA HIS B 99 7.391 -5.799 -0.996 1.00 0.00 C ATOM 1524 C HIS B 99 8.790 -5.410 -0.532 1.00 0.00 C ATOM 1525 O HIS B 99 9.423 -4.548 -1.111 1.00 0.00 O ATOM 1526 CB HIS B 99 7.512 -6.576 -2.311 1.00 0.00 C ATOM 1527 CG HIS B 99 6.262 -7.366 -2.577 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.452 -7.113 -3.670 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.681 -8.417 -1.915 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.434 -7.992 -3.637 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.529 -8.813 -2.586 1.00 0.00 N ATOM 0 H HIS B 99 6.232 -4.393 -2.117 1.00 0.00 H new ATOM 0 HA HIS B 99 6.876 -6.432 -0.273 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.693 -5.884 -3.133 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.370 -7.247 -2.265 1.00 0.00 H new ATOM 0 HD1 HIS B 99 5.600 -6.390 -4.374 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.060 -8.869 -1.010 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.640 -8.030 -4.368 1.00 0.00 H new ATOM 1539 N VAL B 100 9.286 -6.021 0.494 1.00 0.00 N ATOM 1540 CA VAL B 100 10.645 -5.664 0.964 1.00 0.00 C ATOM 1541 C VAL B 100 11.604 -5.766 -0.218 1.00 0.00 C ATOM 1542 O VAL B 100 12.721 -5.294 -0.175 1.00 0.00 O ATOM 1543 CB VAL B 100 11.061 -6.640 2.059 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.582 -6.635 2.206 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.412 -6.215 3.375 1.00 0.00 C ATOM 0 H VAL B 100 8.814 -6.750 1.028 1.00 0.00 H new ATOM 0 HA VAL B 100 10.662 -4.650 1.364 1.00 0.00 H new ATOM 0 HB VAL B 100 10.736 -7.647 1.797 1.00 0.00 H new ATOM 0 HG11 VAL B 100 12.874 -7.334 2.990 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.040 -6.935 1.263 1.00 0.00 H new ATOM 0 HG13 VAL B 100 12.919 -5.633 2.470 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.704 -6.907 4.165 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.741 -5.209 3.635 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.328 -6.225 3.266 1.00 0.00 H new ATOM 1555 N GLU B 101 11.168 -6.401 -1.264 1.00 0.00 N ATOM 1556 CA GLU B 101 12.034 -6.572 -2.458 1.00 0.00 C ATOM 1557 C GLU B 101 11.745 -5.479 -3.496 1.00 0.00 C ATOM 1558 O GLU B 101 12.595 -5.136 -4.291 1.00 0.00 O ATOM 1559 CB GLU B 101 11.760 -7.948 -3.074 1.00 0.00 C ATOM 1560 CG GLU B 101 12.462 -8.070 -4.430 1.00 0.00 C ATOM 1561 CD GLU B 101 13.943 -7.717 -4.279 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.634 -8.439 -3.582 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.358 -6.729 -4.862 1.00 0.00 O ATOM 0 H GLU B 101 10.239 -6.814 -1.344 1.00 0.00 H new ATOM 0 HA GLU B 101 13.079 -6.494 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.111 -8.732 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.687 -8.092 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.358 -9.085 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.992 -7.405 -5.155 1.00 0.00 H new ATOM 1570 N HIS B 102 10.548 -4.943 -3.514 1.00 0.00 N ATOM 1571 CA HIS B 102 10.225 -3.889 -4.531 1.00 0.00 C ATOM 1572 C HIS B 102 10.356 -2.493 -3.924 1.00 0.00 C ATOM 1573 O HIS B 102 10.282 -1.505 -4.626 1.00 0.00 O ATOM 1574 CB HIS B 102 8.798 -4.091 -5.054 1.00 0.00 C ATOM 1575 CG HIS B 102 8.712 -5.418 -5.765 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.539 -6.163 -5.836 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.657 -6.145 -6.448 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.814 -7.276 -6.543 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.087 -7.315 -6.935 1.00 0.00 N ATOM 0 H HIS B 102 9.788 -5.185 -2.878 1.00 0.00 H new ATOM 0 HA HIS B 102 10.932 -3.978 -5.356 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.088 -4.061 -4.228 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.530 -3.283 -5.734 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.687 -5.851 -6.586 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.089 -8.045 -6.766 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.545 -8.048 -7.477 1.00 0.00 H new ATOM 1587 N PHE B 103 10.585 -2.382 -2.646 1.00 0.00 N ATOM 1588 CA PHE B 103 10.753 -1.027 -2.067 1.00 0.00 C ATOM 1589 C PHE B 103 12.175 -0.591 -2.365 1.00 0.00 C ATOM 1590 O PHE B 103 13.123 -1.104 -1.803 1.00 0.00 O ATOM 1591 CB PHE B 103 10.511 -1.025 -0.557 1.00 0.00 C ATOM 1592 CG PHE B 103 10.355 0.409 -0.098 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.315 1.198 -0.608 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.260 0.956 0.820 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.182 2.528 -0.200 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.122 2.289 1.227 1.00 0.00 C ATOM 1597 CZ PHE B 103 10.083 3.074 0.717 1.00 0.00 C ATOM 0 H PHE B 103 10.662 -3.158 -1.989 1.00 0.00 H new ATOM 0 HA PHE B 103 10.025 -0.344 -2.505 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.617 -1.599 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.344 -1.500 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.616 0.778 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.063 0.351 1.214 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.381 3.135 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.819 2.711 1.936 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.977 4.102 1.032 1.00 0.00 H new ATOM 1607 N VAL B 104 12.336 0.309 -3.285 1.00 0.00 N ATOM 1608 CA VAL B 104 13.703 0.741 -3.676 1.00 0.00 C ATOM 1609 C VAL B 104 13.797 2.255 -3.757 1.00 0.00 C ATOM 1610 O VAL B 104 12.824 2.972 -3.633 1.00 0.00 O ATOM 1611 CB VAL B 104 14.013 0.182 -5.062 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.903 -1.351 -5.067 1.00 0.00 C ATOM 1613 CG2 VAL B 104 13.018 0.772 -6.067 1.00 0.00 C ATOM 0 H VAL B 104 11.576 0.768 -3.788 1.00 0.00 H new ATOM 0 HA VAL B 104 14.406 0.377 -2.927 1.00 0.00 H new ATOM 0 HB VAL B 104 15.032 0.454 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.128 -1.729 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.612 -1.769 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.891 -1.644 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.230 0.380 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL B 104 12.003 0.499 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL B 104 13.112 1.858 -6.078 1.00 0.00 H new ATOM 1623 N CYS B 105 14.982 2.729 -3.998 1.00 0.00 N ATOM 1624 CA CYS B 105 15.207 4.188 -4.136 1.00 0.00 C ATOM 1625 C CYS B 105 14.421 4.706 -5.336 1.00 0.00 C ATOM 1626 O CYS B 105 14.212 4.005 -6.307 1.00 0.00 O ATOM 1627 CB CYS B 105 16.697 4.418 -4.358 1.00 0.00 C ATOM 1628 SG CYS B 105 16.977 6.032 -5.129 1.00 0.00 S ATOM 0 H CYS B 105 15.819 2.156 -4.107 1.00 0.00 H new ATOM 0 HA CYS B 105 14.876 4.714 -3.241 1.00 0.00 H new ATOM 0 HB2 CYS B 105 17.226 4.366 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS B 105 17.103 3.630 -4.992 1.00 0.00 H new ATOM 0 HG CYS B 105 18.252 6.285 -5.154 1.00 0.00 H new ATOM 1633 N ALA B 106 13.975 5.929 -5.281 1.00 0.00 N ATOM 1634 CA ALA B 106 13.197 6.491 -6.416 1.00 0.00 C ATOM 1635 C ALA B 106 14.147 7.200 -7.390 1.00 0.00 C ATOM 1636 O ALA B 106 13.769 8.133 -8.072 1.00 0.00 O ATOM 1637 CB ALA B 106 12.180 7.484 -5.863 1.00 0.00 C ATOM 0 H ALA B 106 14.117 6.565 -4.496 1.00 0.00 H new ATOM 0 HA ALA B 106 12.680 5.693 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.600 7.906 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.511 6.972 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.701 8.284 -5.338 1.00 0.00 H new ATOM 1643 N LYS B 107 15.377 6.761 -7.459 1.00 0.00 N ATOM 1644 CA LYS B 107 16.362 7.403 -8.389 1.00 0.00 C ATOM 1645 C LYS B 107 17.215 6.333 -9.072 1.00 0.00 C ATOM 1646 O LYS B 107 17.658 6.502 -10.191 1.00 0.00 O ATOM 1647 CB LYS B 107 17.288 8.334 -7.598 1.00 0.00 C ATOM 1648 CG LYS B 107 18.244 9.060 -8.551 1.00 0.00 C ATOM 1649 CD LYS B 107 17.444 9.906 -9.552 1.00 0.00 C ATOM 1650 CE LYS B 107 18.261 11.137 -9.961 1.00 0.00 C ATOM 1651 NZ LYS B 107 18.128 12.191 -8.914 1.00 0.00 N ATOM 0 H LYS B 107 15.746 5.984 -6.911 1.00 0.00 H new ATOM 0 HA LYS B 107 15.812 7.970 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.696 9.060 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.857 7.759 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.922 9.697 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.859 8.335 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS B 107 17.200 9.311 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.499 10.217 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS B 107 19.309 10.866 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.911 11.517 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 18.263 13.128 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 17.181 12.139 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.847 12.042 -8.178 1.00 0.00 H new ATOM 1665 N CYS B 108 17.472 5.242 -8.400 1.00 0.00 N ATOM 1666 CA CYS B 108 18.324 4.170 -8.999 1.00 0.00 C ATOM 1667 C CYS B 108 17.623 2.817 -8.892 1.00 0.00 C ATOM 1668 O CYS B 108 17.994 1.865 -9.546 1.00 0.00 O ATOM 1669 CB CYS B 108 19.640 4.112 -8.232 1.00 0.00 C ATOM 1670 SG CYS B 108 19.304 3.618 -6.530 1.00 0.00 S ATOM 0 H CYS B 108 17.128 5.046 -7.460 1.00 0.00 H new ATOM 0 HA CYS B 108 18.503 4.393 -10.051 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.320 3.402 -8.703 1.00 0.00 H new ATOM 0 HB3 CYS B 108 20.131 5.085 -8.252 1.00 0.00 H new ATOM 0 HG CYS B 108 18.612 4.545 -5.938 1.00 0.00 H new ATOM 1675 N GLU B 109 16.612 2.724 -8.072 1.00 0.00 N ATOM 1676 CA GLU B 109 15.885 1.439 -7.917 1.00 0.00 C ATOM 1677 C GLU B 109 16.750 0.434 -7.162 1.00 0.00 C ATOM 1678 O GLU B 109 16.865 -0.712 -7.547 1.00 0.00 O ATOM 1679 CB GLU B 109 15.504 0.872 -9.292 1.00 0.00 C ATOM 1680 CG GLU B 109 15.049 2.007 -10.219 1.00 0.00 C ATOM 1681 CD GLU B 109 14.058 1.460 -11.251 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.896 1.321 -10.912 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.480 1.192 -12.363 1.00 0.00 O ATOM 0 H GLU B 109 16.258 3.491 -7.500 1.00 0.00 H new ATOM 0 HA GLU B 109 14.974 1.622 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.357 0.353 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.706 0.138 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.582 2.801 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.910 2.446 -10.723 1.00 0.00 H new ATOM 1690 N LYS B 110 17.331 0.848 -6.064 1.00 0.00 N ATOM 1691 CA LYS B 110 18.156 -0.094 -5.252 1.00 0.00 C ATOM 1692 C LYS B 110 17.303 -0.540 -4.052 1.00 0.00 C ATOM 1693 O LYS B 110 17.018 0.259 -3.184 1.00 0.00 O ATOM 1694 CB LYS B 110 19.418 0.619 -4.754 1.00 0.00 C ATOM 1695 CG LYS B 110 20.460 -0.421 -4.318 1.00 0.00 C ATOM 1696 CD LYS B 110 20.357 -0.663 -2.810 1.00 0.00 C ATOM 1697 CE LYS B 110 21.418 -1.681 -2.384 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.754 -1.245 -2.879 1.00 0.00 N ATOM 0 H LYS B 110 17.269 1.797 -5.696 1.00 0.00 H new ATOM 0 HA LYS B 110 18.459 -0.954 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.827 1.249 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.172 1.274 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.301 -1.355 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.461 -0.073 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.498 0.273 -2.270 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.363 -1.030 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.433 -1.773 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.174 -2.665 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.499 -1.679 -2.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.871 -1.542 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.826 -0.209 -2.818 1.00 0.00 H new ATOM 1712 N PRO B 111 16.883 -1.785 -4.051 1.00 0.00 N ATOM 1713 CA PRO B 111 16.017 -2.309 -2.978 1.00 0.00 C ATOM 1714 C PRO B 111 16.755 -2.421 -1.651 1.00 0.00 C ATOM 1715 O PRO B 111 17.882 -2.868 -1.574 1.00 0.00 O ATOM 1716 CB PRO B 111 15.601 -3.704 -3.455 1.00 0.00 C ATOM 1717 CG PRO B 111 16.414 -4.024 -4.726 1.00 0.00 C ATOM 1718 CD PRO B 111 17.223 -2.768 -5.095 1.00 0.00 C ATOM 0 HA PRO B 111 15.171 -1.644 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.793 -4.447 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.532 -3.733 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.079 -4.869 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.750 -4.305 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.293 -2.976 -5.110 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.956 -2.402 -6.086 1.00 0.00 H new ATOM 1726 N PHE B 112 16.090 -2.046 -0.598 1.00 0.00 N ATOM 1727 CA PHE B 112 16.705 -2.154 0.758 1.00 0.00 C ATOM 1728 C PHE B 112 16.256 -3.463 1.406 1.00 0.00 C ATOM 1729 O PHE B 112 15.683 -3.466 2.477 1.00 0.00 O ATOM 1730 CB PHE B 112 17.015 -0.802 2.394 1.00 0.00 C ATOM 1731 CG PHE B 112 16.079 0.245 0.803 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.893 0.435 0.091 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.092 1.206 0.751 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.718 1.592 -0.680 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.921 2.356 -0.019 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.735 2.554 -0.734 1.00 0.00 C ATOM 0 H PHE B 112 15.143 -1.667 -0.614 1.00 0.00 H new ATOM 0 HA PHE B 112 17.653 -1.894 0.288 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.462 -0.959 3.320 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.035 -0.536 2.673 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.111 -0.309 0.134 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.006 1.058 1.306 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.801 1.742 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.706 3.096 -0.063 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.604 3.447 -1.327 1.00 0.00 H new ATOM 1745 N LEU B 113 16.503 -4.572 0.767 1.00 0.00 N ATOM 1746 CA LEU B 113 16.079 -5.879 1.355 1.00 0.00 C ATOM 1747 C LEU B 113 16.314 -5.845 2.863 1.00 0.00 C ATOM 1748 O LEU B 113 15.414 -6.063 3.654 1.00 0.00 O ATOM 1749 CB LEU B 113 16.918 -7.004 0.740 1.00 0.00 C ATOM 1750 CG LEU B 113 16.251 -7.490 -0.551 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.119 -6.319 -1.506 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.106 -8.577 -1.204 1.00 0.00 C ATOM 0 H LEU B 113 16.978 -4.633 -0.134 1.00 0.00 H new ATOM 0 HA LEU B 113 15.023 -6.053 1.148 1.00 0.00 H new ATOM 0 HB2 LEU B 113 17.926 -6.647 0.529 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.013 -7.829 1.446 1.00 0.00 H new ATOM 0 HG LEU B 113 15.268 -7.900 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.645 -6.654 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.509 -5.541 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.108 -5.919 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.625 -8.917 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.091 -8.173 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.213 -9.417 -0.518 1.00 0.00 H new ATOM 1764 N GLY B 114 17.517 -5.557 3.265 1.00 0.00 N ATOM 1765 CA GLY B 114 17.837 -5.483 4.718 1.00 0.00 C ATOM 1766 C GLY B 114 18.675 -4.235 4.978 1.00 0.00 C ATOM 1767 O GLY B 114 19.507 -4.207 5.865 1.00 0.00 O ATOM 0 H GLY B 114 18.303 -5.367 2.643 1.00 0.00 H new ATOM 0 HA2 GLY B 114 16.919 -5.449 5.305 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.382 -6.374 5.030 1.00 0.00 H new ATOM 1771 N HIS B 115 18.468 -3.202 4.206 1.00 0.00 N ATOM 1772 CA HIS B 115 19.258 -1.946 4.393 1.00 0.00 C ATOM 1773 C HIS B 115 18.327 -0.798 4.798 1.00 0.00 C ATOM 1774 O HIS B 115 17.129 -0.966 4.910 1.00 0.00 O ATOM 1775 CB HIS B 115 19.966 -1.588 3.081 1.00 0.00 C ATOM 1776 CG HIS B 115 20.319 -2.847 2.336 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.206 -2.946 0.958 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.780 -4.064 2.765 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.594 -4.187 0.610 1.00 0.00 C ATOM 1780 NE2 HIS B 115 20.954 -4.912 1.673 1.00 0.00 N ATOM 0 H HIS B 115 17.783 -3.172 3.450 1.00 0.00 H new ATOM 0 HA HIS B 115 19.997 -2.103 5.179 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.320 -0.960 2.468 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.868 -1.012 3.288 1.00 0.00 H new ATOM 0 HD2 HIS B 115 20.978 -4.326 3.794 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.612 -4.553 -0.406 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.285 -5.877 1.683 1.00 0.00 H new ATOM 1788 N ARG B 116 18.878 0.367 5.021 1.00 0.00 N ATOM 1789 CA ARG B 116 18.041 1.536 5.420 1.00 0.00 C ATOM 1790 C ARG B 116 17.671 2.345 4.173 1.00 0.00 C ATOM 1791 O ARG B 116 18.452 2.459 3.248 1.00 0.00 O ATOM 1792 CB ARG B 116 18.842 2.423 6.385 1.00 0.00 C ATOM 1793 CG ARG B 116 18.202 3.813 6.479 1.00 0.00 C ATOM 1794 CD ARG B 116 18.778 4.563 7.680 1.00 0.00 C ATOM 1795 NE ARG B 116 18.003 5.818 7.901 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.116 6.464 9.028 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.907 6.014 9.963 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.436 7.562 9.222 1.00 0.00 N ATOM 0 H ARG B 116 19.877 0.559 4.943 1.00 0.00 H new ATOM 0 HA ARG B 116 17.132 1.188 5.910 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.875 1.962 7.372 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.872 2.511 6.040 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.390 4.374 5.563 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.121 3.720 6.580 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.734 3.935 8.570 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.828 4.797 7.506 1.00 0.00 H new ATOM 0 HE ARG B 116 17.385 6.171 7.171 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.438 5.156 9.813 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.995 6.520 10.844 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.817 7.914 8.492 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.524 8.067 10.104 1.00 0.00 H new ATOM 1812 N HIS B 117 16.495 2.917 4.147 1.00 0.00 N ATOM 1813 CA HIS B 117 16.084 3.732 2.963 1.00 0.00 C ATOM 1814 C HIS B 117 15.881 5.179 3.388 1.00 0.00 C ATOM 1815 O HIS B 117 15.882 5.507 4.558 1.00 0.00 O ATOM 1816 CB HIS B 117 14.775 3.206 2.383 1.00 0.00 C ATOM 1817 CG HIS B 117 13.823 2.895 3.503 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.797 1.661 4.135 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.851 3.650 4.114 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.841 1.710 5.082 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.235 2.900 5.111 1.00 0.00 N ATOM 0 H HIS B 117 15.802 2.856 4.893 1.00 0.00 H new ATOM 0 HA HIS B 117 16.867 3.665 2.208 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.337 3.947 1.714 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.961 2.311 1.790 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.603 4.670 3.859 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.594 0.888 5.738 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.481 3.196 5.732 1.00 0.00 H new ATOM 1829 N TYR B 118 15.730 6.047 2.432 1.00 0.00 N ATOM 1830 CA TYR B 118 15.547 7.487 2.739 1.00 0.00 C ATOM 1831 C TYR B 118 14.364 8.024 1.920 1.00 0.00 C ATOM 1832 O TYR B 118 14.193 7.685 0.766 1.00 0.00 O ATOM 1833 CB TYR B 118 16.849 8.196 2.375 1.00 0.00 C ATOM 1834 CG TYR B 118 17.990 7.398 2.970 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.318 6.139 2.444 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.703 7.895 4.068 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.346 5.385 3.014 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.730 7.135 4.636 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.050 5.882 4.113 1.00 0.00 C ATOM 1840 OH TYR B 118 21.059 5.134 4.685 1.00 0.00 O ATOM 0 H TYR B 118 15.726 5.816 1.438 1.00 0.00 H new ATOM 0 HA TYR B 118 15.325 7.655 3.793 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.956 8.267 1.293 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.851 9.214 2.763 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.774 5.752 1.595 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.460 8.865 4.476 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.597 4.417 2.605 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.278 7.520 5.483 1.00 0.00 H new ATOM 0 HH TYR B 118 21.260 4.364 4.113 1.00 0.00 H new ATOM 1850 N GLU B 119 13.524 8.828 2.524 1.00 0.00 N ATOM 1851 CA GLU B 119 12.321 9.348 1.798 1.00 0.00 C ATOM 1852 C GLU B 119 12.484 10.826 1.445 1.00 0.00 C ATOM 1853 O GLU B 119 13.106 11.588 2.157 1.00 0.00 O ATOM 1854 CB GLU B 119 11.091 9.186 2.697 1.00 0.00 C ATOM 1855 CG GLU B 119 10.554 7.760 2.579 1.00 0.00 C ATOM 1856 CD GLU B 119 9.499 7.519 3.659 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.342 7.808 3.403 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.865 7.048 4.724 1.00 0.00 O ATOM 0 H GLU B 119 13.618 9.147 3.488 1.00 0.00 H new ATOM 0 HA GLU B 119 12.204 8.782 0.874 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.354 9.402 3.733 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.320 9.901 2.408 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.120 7.604 1.591 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.369 7.044 2.686 1.00 0.00 H new ATOM 1865 N ARG B 120 11.904 11.232 0.345 1.00 0.00 N ATOM 1866 CA ARG B 120 11.996 12.664 -0.068 1.00 0.00 C ATOM 1867 C ARG B 120 10.771 13.058 -0.896 1.00 0.00 C ATOM 1868 O ARG B 120 10.410 12.403 -1.853 1.00 0.00 O ATOM 1869 CB ARG B 120 13.252 12.886 -0.907 1.00 0.00 C ATOM 1870 CG ARG B 120 13.406 14.385 -1.217 1.00 0.00 C ATOM 1871 CD ARG B 120 13.468 14.599 -2.732 1.00 0.00 C ATOM 1872 NE ARG B 120 12.322 13.907 -3.385 1.00 0.00 N ATOM 1873 CZ ARG B 120 12.019 14.180 -4.626 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.720 15.055 -5.292 1.00 0.00 N ATOM 1875 NH2 ARG B 120 11.013 13.573 -5.199 1.00 0.00 N ATOM 0 H ARG B 120 11.370 10.633 -0.285 1.00 0.00 H new ATOM 0 HA ARG B 120 12.040 13.278 0.831 1.00 0.00 H new ATOM 0 HB2 ARG B 120 14.129 12.523 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG B 120 13.188 12.317 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.568 14.940 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG B 120 14.311 14.771 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG B 120 13.439 15.665 -2.960 1.00 0.00 H new ATOM 0 HD3 ARG B 120 14.409 14.214 -3.125 1.00 0.00 H new ATOM 0 HE ARG B 120 11.775 13.221 -2.864 1.00 0.00 H new ATOM 0 HH11 ARG B 120 13.506 15.527 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG B 120 12.483 15.268 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG B 120 10.466 12.888 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.775 13.785 -6.168 1.00 0.00 H new ATOM 1889 N LYS B 121 10.139 14.138 -0.533 1.00 0.00 N ATOM 1890 CA LYS B 121 8.942 14.612 -1.278 1.00 0.00 C ATOM 1891 C LYS B 121 7.954 13.471 -1.429 1.00 0.00 C ATOM 1892 O LYS B 121 7.115 13.472 -2.309 1.00 0.00 O ATOM 1893 CB LYS B 121 9.354 15.120 -2.661 1.00 0.00 C ATOM 1894 CG LYS B 121 10.169 16.408 -2.518 1.00 0.00 C ATOM 1895 CD LYS B 121 10.256 17.111 -3.874 1.00 0.00 C ATOM 1896 CE LYS B 121 11.025 18.423 -3.719 1.00 0.00 C ATOM 1897 NZ LYS B 121 10.182 19.410 -2.989 1.00 0.00 N ATOM 0 H LYS B 121 10.406 14.721 0.261 1.00 0.00 H new ATOM 0 HA LYS B 121 8.476 15.427 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.943 14.361 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS B 121 8.469 15.305 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.703 17.066 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS B 121 11.169 16.179 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.756 16.467 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS B 121 9.255 17.307 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.954 18.250 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS B 121 11.297 18.815 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 10.585 20.362 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 9.217 19.395 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 10.154 19.163 -1.979 1.00 0.00 H new ATOM 1911 N GLY B 122 8.036 12.501 -0.573 1.00 0.00 N ATOM 1912 CA GLY B 122 7.089 11.366 -0.665 1.00 0.00 C ATOM 1913 C GLY B 122 7.631 10.322 -1.633 1.00 0.00 C ATOM 1914 O GLY B 122 6.890 9.622 -2.293 1.00 0.00 O ATOM 0 H GLY B 122 8.716 12.444 0.185 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.942 10.922 0.319 1.00 0.00 H new ATOM 0 HA3 GLY B 122 6.115 11.719 -1.004 1.00 0.00 H new ATOM 1918 N LEU B 123 8.922 10.213 -1.716 1.00 0.00 N ATOM 1919 CA LEU B 123 9.536 9.210 -2.629 1.00 0.00 C ATOM 1920 C LEU B 123 10.784 8.642 -1.964 1.00 0.00 C ATOM 1921 O LEU B 123 11.510 9.336 -1.280 1.00 0.00 O ATOM 1922 CB LEU B 123 9.916 9.865 -3.957 1.00 0.00 C ATOM 1923 CG LEU B 123 8.697 9.944 -4.877 1.00 0.00 C ATOM 1924 CD1 LEU B 123 9.106 10.645 -6.174 1.00 0.00 C ATOM 1925 CD2 LEU B 123 8.189 8.527 -5.187 1.00 0.00 C ATOM 0 H LEU B 123 9.586 10.779 -1.188 1.00 0.00 H new ATOM 0 HA LEU B 123 8.820 8.413 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU B 123 10.310 10.865 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.708 9.292 -4.440 1.00 0.00 H new ATOM 0 HG LEU B 123 7.899 10.505 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU B 123 8.246 10.708 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU B 123 9.464 11.649 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.900 10.077 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU B 123 7.320 8.587 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.977 7.958 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.909 8.030 -4.258 1.00 0.00 H new ATOM 1937 N ALA B 124 11.031 7.377 -2.142 1.00 0.00 N ATOM 1938 CA ALA B 124 12.219 6.761 -1.501 1.00 0.00 C ATOM 1939 C ALA B 124 13.492 7.140 -2.248 1.00 0.00 C ATOM 1940 O ALA B 124 13.484 7.391 -3.435 1.00 0.00 O ATOM 1941 CB ALA B 124 12.088 5.240 -1.525 1.00 0.00 C ATOM 0 H ALA B 124 10.461 6.744 -2.704 1.00 0.00 H new ATOM 0 HA ALA B 124 12.275 7.125 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.963 4.792 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.191 4.943 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA B 124 12.017 4.897 -2.557 1.00 0.00 H new ATOM 1947 N TYR B 125 14.592 7.156 -1.552 1.00 0.00 N ATOM 1948 CA TYR B 125 15.881 7.483 -2.199 1.00 0.00 C ATOM 1949 C TYR B 125 17.000 6.830 -1.411 1.00 0.00 C ATOM 1950 O TYR B 125 16.974 6.805 -0.204 1.00 0.00 O ATOM 1951 CB TYR B 125 16.090 8.992 -2.200 1.00 0.00 C ATOM 1952 CG TYR B 125 15.226 9.603 -3.259 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.646 9.609 -4.591 1.00 0.00 C ATOM 1954 CD2 TYR B 125 14.002 10.164 -2.907 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.826 10.180 -5.575 1.00 0.00 C ATOM 1956 CE2 TYR B 125 13.189 10.732 -3.879 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.596 10.742 -5.217 1.00 0.00 C ATOM 1958 OH TYR B 125 12.788 11.308 -6.181 1.00 0.00 O ATOM 0 H TYR B 125 14.649 6.954 -0.554 1.00 0.00 H new ATOM 0 HA TYR B 125 15.877 7.119 -3.226 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.840 9.407 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR B 125 17.138 9.227 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.598 9.176 -4.862 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.684 10.158 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR B 125 15.144 10.186 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR B 125 12.240 11.167 -3.601 1.00 0.00 H new ATOM 0 HH TYR B 125 11.849 11.217 -5.915 1.00 0.00 H new ATOM 1968 N CYS B 126 17.985 6.300 -2.065 1.00 0.00 N ATOM 1969 CA CYS B 126 19.082 5.670 -1.295 1.00 0.00 C ATOM 1970 C CYS B 126 19.674 6.717 -0.348 1.00 0.00 C ATOM 1971 O CYS B 126 19.289 7.869 -0.360 1.00 0.00 O ATOM 1972 CB CYS B 126 20.191 5.193 -2.235 1.00 0.00 C ATOM 1973 SG CYS B 126 19.603 3.816 -3.236 1.00 0.00 S ATOM 0 H CYS B 126 18.079 6.274 -3.080 1.00 0.00 H new ATOM 0 HA CYS B 126 18.686 4.817 -0.744 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.509 6.012 -2.880 1.00 0.00 H new ATOM 0 HB3 CYS B 126 21.062 4.886 -1.656 1.00 0.00 H new ATOM 0 HG CYS B 126 19.629 4.150 -4.492 1.00 0.00 H new ATOM 1978 N GLU B 127 20.624 6.332 0.452 1.00 0.00 N ATOM 1979 CA GLU B 127 21.264 7.308 1.384 1.00 0.00 C ATOM 1980 C GLU B 127 21.977 8.389 0.572 1.00 0.00 C ATOM 1981 O GLU B 127 22.035 9.542 0.959 1.00 0.00 O ATOM 1982 CB GLU B 127 22.310 6.589 2.240 1.00 0.00 C ATOM 1983 CG GLU B 127 22.811 7.528 3.343 1.00 0.00 C ATOM 1984 CD GLU B 127 23.538 6.714 4.414 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.981 5.621 4.104 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.639 7.198 5.530 1.00 0.00 O ATOM 0 H GLU B 127 20.989 5.381 0.504 1.00 0.00 H new ATOM 0 HA GLU B 127 20.496 7.751 2.019 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.877 5.692 2.682 1.00 0.00 H new ATOM 0 HB3 GLU B 127 23.144 6.267 1.617 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.482 8.276 2.921 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.973 8.066 3.786 1.00 0.00 H new ATOM 1993 N THR B 128 22.552 8.016 -0.537 1.00 0.00 N ATOM 1994 CA THR B 128 23.303 8.996 -1.373 1.00 0.00 C ATOM 1995 C THR B 128 22.378 9.719 -2.345 1.00 0.00 C ATOM 1996 O THR B 128 22.475 10.916 -2.517 1.00 0.00 O ATOM 1997 CB THR B 128 24.391 8.260 -2.161 1.00 0.00 C ATOM 1998 OG1 THR B 128 25.336 7.710 -1.256 1.00 0.00 O ATOM 1999 CG2 THR B 128 25.092 9.240 -3.103 1.00 0.00 C ATOM 0 H THR B 128 22.534 7.065 -0.904 1.00 0.00 H new ATOM 0 HA THR B 128 23.751 9.738 -0.712 1.00 0.00 H new ATOM 0 HB THR B 128 23.939 7.459 -2.746 1.00 0.00 H new ATOM 0 HG1 THR B 128 26.032 7.237 -1.758 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.866 8.716 -3.663 1.00 0.00 H new ATOM 0 HG22 THR B 128 24.364 9.662 -3.797 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.546 10.042 -2.521 1.00 0.00 H new ATOM 2007 N HIS B 129 21.489 9.026 -2.991 1.00 0.00 N ATOM 2008 CA HIS B 129 20.597 9.715 -3.944 1.00 0.00 C ATOM 2009 C HIS B 129 19.694 10.645 -3.159 1.00 0.00 C ATOM 2010 O HIS B 129 19.511 11.790 -3.515 1.00 0.00 O ATOM 2011 CB HIS B 129 19.782 8.686 -4.726 1.00 0.00 C ATOM 2012 CG HIS B 129 20.738 7.829 -5.526 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.597 6.448 -5.681 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.877 8.161 -6.221 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.625 6.021 -6.439 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.431 7.021 -6.794 1.00 0.00 N ATOM 0 H HIS B 129 21.345 8.020 -2.899 1.00 0.00 H new ATOM 0 HA HIS B 129 21.176 10.295 -4.663 1.00 0.00 H new ATOM 0 HB2 HIS B 129 19.198 8.068 -4.045 1.00 0.00 H new ATOM 0 HB3 HIS B 129 19.075 9.186 -5.388 1.00 0.00 H new ATOM 0 HD2 HIS B 129 22.281 9.159 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.778 4.991 -6.725 1.00 0.00 H new ATOM 0 HE2 HIS B 129 23.275 6.963 -7.364 1.00 0.00 H new ATOM 2024 N TYR B 130 19.171 10.187 -2.067 1.00 0.00 N ATOM 2025 CA TYR B 130 18.328 11.066 -1.246 1.00 0.00 C ATOM 2026 C TYR B 130 19.109 12.333 -1.002 1.00 0.00 C ATOM 2027 O TYR B 130 18.679 13.428 -1.301 1.00 0.00 O ATOM 2028 CB TYR B 130 18.084 10.390 0.093 1.00 0.00 C ATOM 2029 CG TYR B 130 17.461 11.372 1.050 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.517 12.293 0.592 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.833 11.365 2.401 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.945 13.200 1.474 1.00 0.00 C ATOM 2033 CE2 TYR B 130 17.255 12.278 3.289 1.00 0.00 C ATOM 2034 CZ TYR B 130 16.309 13.196 2.825 1.00 0.00 C ATOM 2035 OH TYR B 130 15.736 14.098 3.698 1.00 0.00 O ATOM 0 H TYR B 130 19.294 9.239 -1.711 1.00 0.00 H new ATOM 0 HA TYR B 130 17.378 11.273 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.429 9.529 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR B 130 19.024 10.017 0.500 1.00 0.00 H new ATOM 0 HD1 TYR B 130 16.231 12.300 -0.450 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.565 10.655 2.756 1.00 0.00 H new ATOM 0 HE1 TYR B 130 15.216 13.912 1.116 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.539 12.274 4.331 1.00 0.00 H new ATOM 0 HH TYR B 130 16.341 14.858 3.826 1.00 0.00 H new ATOM 2045 N ASN B 131 20.264 12.166 -0.449 1.00 0.00 N ATOM 2046 CA ASN B 131 21.112 13.335 -0.166 1.00 0.00 C ATOM 2047 C ASN B 131 21.511 13.992 -1.480 1.00 0.00 C ATOM 2048 O ASN B 131 21.437 15.197 -1.625 1.00 0.00 O ATOM 2049 CB ASN B 131 22.361 12.901 0.601 1.00 0.00 C ATOM 2050 CG ASN B 131 22.008 12.672 2.072 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.989 13.600 2.856 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.722 11.466 2.480 1.00 0.00 N ATOM 0 H ASN B 131 20.658 11.265 -0.180 1.00 0.00 H new ATOM 0 HA ASN B 131 20.558 14.048 0.444 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.767 11.987 0.168 1.00 0.00 H new ATOM 0 HB3 ASN B 131 23.135 13.664 0.517 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.482 11.302 3.458 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.738 10.687 1.821 1.00 0.00 H new ATOM 2059 N GLN B 132 21.908 13.219 -2.458 1.00 0.00 N ATOM 2060 CA GLN B 132 22.271 13.845 -3.759 1.00 0.00 C ATOM 2061 C GLN B 132 21.079 14.681 -4.193 1.00 0.00 C ATOM 2062 O GLN B 132 21.206 15.735 -4.784 1.00 0.00 O ATOM 2063 CB GLN B 132 22.559 12.772 -4.817 1.00 0.00 C ATOM 2064 CG GLN B 132 23.387 13.378 -5.951 1.00 0.00 C ATOM 2065 CD GLN B 132 24.835 13.553 -5.494 1.00 0.00 C ATOM 2066 OE1 GLN B 132 25.132 13.441 -4.319 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.758 13.822 -6.374 1.00 0.00 N ATOM 0 H GLN B 132 21.995 12.204 -2.413 1.00 0.00 H new ATOM 0 HA GLN B 132 23.169 14.453 -3.651 1.00 0.00 H new ATOM 0 HB2 GLN B 132 23.097 11.938 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.623 12.373 -5.209 1.00 0.00 H new ATOM 0 HG2 GLN B 132 23.348 12.732 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.969 14.341 -6.245 1.00 0.00 H new ATOM 0 HE21 GLN B 132 25.511 13.916 -7.359 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.727 13.938 -6.077 1.00 0.00 H new ATOM 2076 N LEU B 133 19.914 14.201 -3.874 1.00 0.00 N ATOM 2077 CA LEU B 133 18.668 14.934 -4.219 1.00 0.00 C ATOM 2078 C LEU B 133 18.455 16.071 -3.220 1.00 0.00 C ATOM 2079 O LEU B 133 17.960 17.128 -3.562 1.00 0.00 O ATOM 2080 CB LEU B 133 17.478 13.966 -4.141 1.00 0.00 C ATOM 2081 CG LEU B 133 17.211 13.324 -5.512 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.984 12.012 -5.651 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.719 13.032 -5.643 1.00 0.00 C ATOM 0 H LEU B 133 19.769 13.319 -3.382 1.00 0.00 H new ATOM 0 HA LEU B 133 18.749 15.342 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.682 13.190 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.589 14.500 -3.804 1.00 0.00 H new ATOM 0 HG LEU B 133 17.536 14.013 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.782 11.573 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU B 133 19.052 12.207 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.670 11.320 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU B 133 15.521 12.576 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU B 133 15.411 12.349 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU B 133 15.157 13.962 -5.558 1.00 0.00 H new ATOM 2095 N PHE B 134 18.815 15.859 -1.987 1.00 0.00 N ATOM 2096 CA PHE B 134 18.620 16.923 -0.961 1.00 0.00 C ATOM 2097 C PHE B 134 19.555 16.686 0.225 1.00 0.00 C ATOM 2098 O PHE B 134 20.607 17.286 0.335 1.00 0.00 O ATOM 2099 CB PHE B 134 17.166 16.883 -0.472 1.00 0.00 C ATOM 2100 CG PHE B 134 16.304 17.724 -1.382 1.00 0.00 C ATOM 2101 CD1 PHE B 134 16.206 19.106 -1.175 1.00 0.00 C ATOM 2102 CD2 PHE B 134 15.611 17.121 -2.433 1.00 0.00 C ATOM 2103 CE1 PHE B 134 15.408 19.883 -2.024 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.812 17.899 -3.282 1.00 0.00 C ATOM 2105 CZ PHE B 134 14.712 19.279 -3.077 1.00 0.00 C ATOM 0 H PHE B 134 19.236 14.996 -1.643 1.00 0.00 H new ATOM 0 HA PHE B 134 18.843 17.895 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.804 15.855 -0.459 1.00 0.00 H new ATOM 0 HB3 PHE B 134 17.105 17.256 0.551 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.745 19.571 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.690 16.056 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE B 134 15.330 20.949 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE B 134 14.274 17.433 -4.094 1.00 0.00 H new ATOM 0 HZ PHE B 134 14.097 19.879 -3.732 1.00 0.00 H new ATOM 2115 N GLY B 135 19.171 15.818 1.114 1.00 0.00 N ATOM 2116 CA GLY B 135 20.019 15.535 2.308 1.00 0.00 C ATOM 2117 C GLY B 135 19.680 16.525 3.422 1.00 0.00 C ATOM 2118 O GLY B 135 20.520 16.893 4.218 1.00 0.00 O ATOM 0 H GLY B 135 18.301 15.287 1.067 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.852 14.514 2.652 1.00 0.00 H new ATOM 0 HA3 GLY B 135 21.074 15.615 2.045 1.00 0.00 H new ATOM 2122 N ASP B 136 18.451 16.960 3.485 1.00 0.00 N ATOM 2123 CA ASP B 136 18.055 17.926 4.545 1.00 0.00 C ATOM 2124 C ASP B 136 19.071 19.072 4.600 1.00 0.00 C ATOM 2125 O ASP B 136 19.589 19.403 5.647 1.00 0.00 O ATOM 2126 CB ASP B 136 18.019 17.212 5.899 1.00 0.00 C ATOM 2127 CG ASP B 136 16.793 16.299 5.961 1.00 0.00 C ATOM 2128 OD1 ASP B 136 16.189 16.081 4.922 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.481 15.833 7.045 1.00 0.00 O ATOM 0 H ASP B 136 17.704 16.687 2.846 1.00 0.00 H new ATOM 0 HA ASP B 136 17.067 18.327 4.318 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.928 16.628 6.038 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.983 17.943 6.707 1.00 0.00 H new ATOM 2134 N VAL B 137 19.356 19.677 3.481 1.00 0.00 N ATOM 2135 CA VAL B 137 20.337 20.800 3.471 1.00 0.00 C ATOM 2136 C VAL B 137 20.169 21.612 2.185 1.00 0.00 C ATOM 2137 O VAL B 137 20.584 21.384 2.169 1.00 0.00 O ATOM 2138 CB VAL B 137 21.755 20.237 3.537 1.00 0.00 C ATOM 2139 CG1 VAL B 137 22.044 19.429 2.270 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.757 21.391 3.643 1.00 0.00 C ATOM 0 H VAL B 137 18.953 19.444 2.573 1.00 0.00 H new ATOM 0 HA VAL B 137 20.162 21.444 4.333 1.00 0.00 H new ATOM 0 HB VAL B 137 21.848 19.591 4.410 1.00 0.00 H new ATOM 0 HG11 VAL B 137 23.056 19.027 2.318 1.00 0.00 H new ATOM 0 HG12 VAL B 137 21.331 18.608 2.191 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.951 20.075 1.397 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.770 20.990 3.690 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.662 22.036 2.770 1.00 0.00 H new ATOM 0 HG23 VAL B 137 22.553 21.968 4.545 1.00 0.00 H new