USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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: A 65 GLN : amide:sc= -1.11 K(o=-5.6,f=-7.2!) USER MOD Set 1.2: A 102 ASN : amide:sc= -1.07 K(o=-5.6,f=-10!) USER MOD Set 1.3: A 129 HIS : no HE2:sc= -3.46! C(o=-5.6!,f=-4.4!) USER MOD Set 2.1: A 96 THR OG1 : rot 103:sc= 0.914 USER MOD Set 2.2: A 101 GLN : amide:sc= -0.235 X(o=0.68,f=0.91) USER MOD Set 3.1: A 77 SER OG : rot 101:sc= 0.768 USER MOD Set 3.2: A 79 SER OG : rot -77:sc= 0.376 USER MOD Set 4.1: A 56 HIS : no HD1:sc= 0.759 K(o=1.6,f=-0.88) USER MOD Set 4.2: A 139 SER OG : rot 72:sc= 0.841 USER MOD Set 5.1: A 52 CYS SG : rot -12:sc= 1.17 USER MOD Set 5.2: A 54 HIS : no HD1:sc= 1.08 K(o=2.3,f=-3.5!) USER MOD Set 6.1: A 40 THR OG1 : rot 81:sc= 0.447 USER MOD Set 6.2: A 127 SER OG : rot 180:sc= 0.406 USER MOD Set 7.1: A 25 HIS : no HE2:sc= 0.824 K(o=1.9,f=-4.5!) USER MOD Set 7.2: A 37 THR OG1 : rot 140:sc= 1.05 USER MOD Set 8.1: A 20 SER OG : rot -70:sc= 1.25 USER MOD Set 8.2: A 47 GLN : amide:sc= -1.15! C(o=0.096!,f=-4.2!) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.04) USER MOD Single : A 7 CYS SG : rot 130:sc= -3.24 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.212 USER MOD Single : A 13 SER OG : rot 144:sc= 0.452 USER MOD Single : A 19 THR OG1 : rot 56:sc= 1.49 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0028 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.102 (180deg=-0.409) USER MOD Single : A 29 ASN : amide:sc= -1.04 X(o=-1,f=-0.55) USER MOD Single : A 34 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.38) USER MOD Single : A 41 THR OG1 : rot 31:sc= 0.45 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 1.09 (180deg=1.08) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0.906 USER MOD Single : A 70 GLN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.564 USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= 1.25 (180deg=1.12) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.059) USER MOD Single : A 87 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.36) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0205) USER MOD Single : A 95 HIS : no HD1:sc= 0.814 K(o=0.81,f=-4.4!) USER MOD Single : A 99 GLN : amide:sc= -0.828 K(o=-0.83,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.06) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -150:sc= -0.669 USER MOD Single : A 113 TYR OH : rot 47:sc= 1.09 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 124 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : A 130 SER OG : rot 61:sc= 0.977 USER MOD Single : A 132 SER OG : rot -165:sc= 1.28 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -0.189 -12.413 5.935 1.00 0.00 N ATOM 19 CA ARG A 2 -1.023 -12.301 4.743 1.00 0.00 C ATOM 20 C ARG A 2 -0.805 -10.979 4.006 1.00 0.00 C ATOM 21 O ARG A 2 -1.651 -10.561 3.219 1.00 0.00 O ATOM 22 CB ARG A 2 -2.504 -12.451 5.104 1.00 0.00 C ATOM 23 CG ARG A 2 -2.992 -11.450 6.143 1.00 0.00 C ATOM 24 CD ARG A 2 -4.506 -11.494 6.301 1.00 0.00 C ATOM 25 NE ARG A 2 -4.967 -10.669 7.420 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.037 -9.871 7.375 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.701 -9.686 6.241 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.421 -9.224 8.467 1.00 0.00 N ATOM 0 HA ARG A 2 -0.727 -13.109 4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.101 -12.340 4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.676 -13.460 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.520 -11.662 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.686 -10.445 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.976 -11.150 5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.824 -12.525 6.456 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.436 -10.706 8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.396 -10.156 5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.517 -9.074 6.222 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.900 -9.337 9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.238 -8.613 8.437 1.00 0.00 H new ATOM 42 N LYS A 3 0.326 -10.331 4.247 1.00 0.00 N ATOM 43 CA LYS A 3 0.654 -9.115 3.526 1.00 0.00 C ATOM 44 C LYS A 3 2.127 -9.092 3.142 1.00 0.00 C ATOM 45 O LYS A 3 3.005 -9.394 3.952 1.00 0.00 O ATOM 46 CB LYS A 3 0.296 -7.860 4.331 1.00 0.00 C ATOM 47 CG LYS A 3 1.112 -7.661 5.599 1.00 0.00 C ATOM 48 CD LYS A 3 1.363 -6.182 5.846 1.00 0.00 C ATOM 49 CE LYS A 3 2.317 -5.609 4.805 1.00 0.00 C ATOM 50 NZ LYS A 3 2.225 -4.130 4.708 1.00 0.00 N ATOM 0 H LYS A 3 1.024 -10.625 4.930 1.00 0.00 H new ATOM 0 HA LYS A 3 0.053 -9.110 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.425 -6.987 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.760 -7.906 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.584 -8.093 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.063 -8.187 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.418 -5.639 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.780 -6.042 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.339 -5.891 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.096 -6.049 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.040 -3.766 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.345 -3.868 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.225 -3.719 5.663 1.00 0.00 H new ATOM 64 N ILE A 4 2.372 -8.758 1.891 1.00 0.00 N ATOM 65 CA ILE A 4 3.716 -8.612 1.362 1.00 0.00 C ATOM 66 C ILE A 4 3.646 -7.672 0.164 1.00 0.00 C ATOM 67 O ILE A 4 2.608 -7.594 -0.488 1.00 0.00 O ATOM 68 CB ILE A 4 4.311 -9.985 0.953 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.709 -9.823 0.347 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.385 -10.706 -0.015 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.342 -11.131 -0.080 1.00 0.00 C ATOM 0 H ILE A 4 1.638 -8.578 1.206 1.00 0.00 H new ATOM 0 HA ILE A 4 4.373 -8.200 2.128 1.00 0.00 H new ATOM 0 HB ILE A 4 4.405 -10.591 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.647 -9.161 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.357 -9.337 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.821 -11.667 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.418 -10.869 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.251 -10.100 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.329 -10.938 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.437 -11.788 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.716 -11.610 -0.833 1.00 0.00 H new ATOM 83 N ASP A 5 4.713 -6.934 -0.101 1.00 0.00 N ATOM 84 CA ASP A 5 4.720 -6.002 -1.223 1.00 0.00 C ATOM 85 C ASP A 5 4.859 -6.759 -2.541 1.00 0.00 C ATOM 86 O ASP A 5 5.960 -6.938 -3.056 1.00 0.00 O ATOM 87 CB ASP A 5 5.853 -4.978 -1.080 1.00 0.00 C ATOM 88 CG ASP A 5 5.647 -4.018 0.074 1.00 0.00 C ATOM 89 OD1 ASP A 5 5.786 -4.442 1.240 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.359 -2.829 -0.182 1.00 0.00 O ATOM 0 H ASP A 5 5.578 -6.960 0.438 1.00 0.00 H new ATOM 0 HA ASP A 5 3.772 -5.465 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.796 -5.506 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.940 -4.410 -2.006 1.00 0.00 H new ATOM 95 N LEU A 6 3.726 -7.197 -3.081 1.00 0.00 N ATOM 96 CA LEU A 6 3.699 -8.009 -4.299 1.00 0.00 C ATOM 97 C LEU A 6 3.926 -7.171 -5.551 1.00 0.00 C ATOM 98 O LEU A 6 4.020 -7.700 -6.656 1.00 0.00 O ATOM 99 CB LEU A 6 2.353 -8.733 -4.409 1.00 0.00 C ATOM 100 CG LEU A 6 2.059 -9.744 -3.300 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.578 -10.091 -3.275 1.00 0.00 C ATOM 102 CD2 LEU A 6 2.892 -11.001 -3.496 1.00 0.00 C ATOM 0 H LEU A 6 2.804 -7.002 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 6 4.512 -8.732 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.558 -7.987 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.315 -9.250 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 6 2.326 -9.295 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.387 -10.812 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.004 -9.188 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.289 -10.523 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.672 -11.711 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.651 -11.450 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.951 -10.743 -3.470 1.00 0.00 H new ATOM 114 N CYS A 7 4.024 -5.866 -5.372 1.00 0.00 N ATOM 115 CA CYS A 7 4.140 -4.958 -6.501 1.00 0.00 C ATOM 116 C CYS A 7 5.604 -4.640 -6.801 1.00 0.00 C ATOM 117 O CYS A 7 5.916 -3.937 -7.759 1.00 0.00 O ATOM 118 CB CYS A 7 3.361 -3.668 -6.211 1.00 0.00 C ATOM 119 SG CYS A 7 3.141 -2.588 -7.641 1.00 0.00 S ATOM 0 H CYS A 7 4.026 -5.411 -4.459 1.00 0.00 H new ATOM 0 HA CYS A 7 3.716 -5.443 -7.381 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.380 -3.932 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.880 -3.113 -5.429 1.00 0.00 H new ATOM 0 HG CYS A 7 1.889 -2.256 -7.745 1.00 0.00 H new ATOM 125 N LEU A 8 6.507 -5.165 -5.980 1.00 0.00 N ATOM 126 CA LEU A 8 7.921 -4.859 -6.116 1.00 0.00 C ATOM 127 C LEU A 8 8.515 -5.567 -7.322 1.00 0.00 C ATOM 128 O LEU A 8 8.168 -6.710 -7.624 1.00 0.00 O ATOM 129 CB LEU A 8 8.691 -5.262 -4.857 1.00 0.00 C ATOM 130 CG LEU A 8 8.239 -4.589 -3.564 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.140 -5.008 -2.412 1.00 0.00 C ATOM 132 CD2 LEU A 8 8.234 -3.076 -3.715 1.00 0.00 C ATOM 0 H LEU A 8 6.283 -5.803 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 8 8.011 -3.782 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.608 -6.342 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.747 -5.039 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 8 7.220 -4.910 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.808 -4.522 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.092 -6.090 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.167 -4.713 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.908 -2.618 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.239 -2.731 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.551 -2.792 -4.515 1.00 0.00 H new ATOM 144 N SER A 9 9.429 -4.887 -8.000 1.00 0.00 N ATOM 145 CA SER A 9 10.178 -5.491 -9.091 1.00 0.00 C ATOM 146 C SER A 9 11.035 -6.621 -8.532 1.00 0.00 C ATOM 147 O SER A 9 11.357 -7.589 -9.222 1.00 0.00 O ATOM 148 CB SER A 9 11.051 -4.435 -9.777 1.00 0.00 C ATOM 149 OG SER A 9 11.624 -4.925 -10.978 1.00 0.00 O ATOM 0 H SER A 9 9.670 -3.914 -7.812 1.00 0.00 H new ATOM 0 HA SER A 9 9.492 -5.895 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.450 -3.552 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.844 -4.121 -9.098 1.00 0.00 H new ATOM 0 HG SER A 9 12.173 -4.224 -11.388 1.00 0.00 H new ATOM 155 N SER A 10 11.351 -6.504 -7.250 1.00 0.00 N ATOM 156 CA SER A 10 12.149 -7.494 -6.554 1.00 0.00 C ATOM 157 C SER A 10 11.276 -8.671 -6.125 1.00 0.00 C ATOM 158 O SER A 10 11.775 -9.718 -5.713 1.00 0.00 O ATOM 159 CB SER A 10 12.825 -6.843 -5.350 1.00 0.00 C ATOM 160 OG SER A 10 11.965 -5.893 -4.739 1.00 0.00 O ATOM 0 H SER A 10 11.060 -5.720 -6.667 1.00 0.00 H new ATOM 0 HA SER A 10 12.920 -7.878 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.101 -7.609 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.747 -6.355 -5.665 1.00 0.00 H new ATOM 0 HG SER A 10 12.418 -5.490 -3.969 1.00 0.00 H new ATOM 166 N GLU A 11 9.969 -8.486 -6.237 1.00 0.00 N ATOM 167 CA GLU A 11 9.014 -9.546 -5.970 1.00 0.00 C ATOM 168 C GLU A 11 8.755 -10.302 -7.271 1.00 0.00 C ATOM 169 O GLU A 11 8.244 -11.420 -7.278 1.00 0.00 O ATOM 170 CB GLU A 11 7.715 -8.941 -5.423 1.00 0.00 C ATOM 171 CG GLU A 11 7.012 -9.787 -4.371 1.00 0.00 C ATOM 172 CD GLU A 11 6.528 -11.119 -4.904 1.00 0.00 C ATOM 173 OE1 GLU A 11 5.533 -11.136 -5.658 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.148 -12.156 -4.580 1.00 0.00 O ATOM 0 H GLU A 11 9.544 -7.601 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 11 9.408 -10.237 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.938 -7.964 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.029 -8.776 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.694 -9.962 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.162 -9.231 -3.975 1.00 0.00 H new ATOM 181 N GLY A 12 9.148 -9.685 -8.376 1.00 0.00 N ATOM 182 CA GLY A 12 8.943 -10.290 -9.674 1.00 0.00 C ATOM 183 C GLY A 12 7.787 -9.664 -10.422 1.00 0.00 C ATOM 184 O GLY A 12 7.176 -10.302 -11.281 1.00 0.00 O ATOM 0 H GLY A 12 9.606 -8.774 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.853 -10.191 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.758 -11.357 -9.550 1.00 0.00 H new ATOM 188 N SER A 13 7.489 -8.417 -10.098 1.00 0.00 N ATOM 189 CA SER A 13 6.402 -7.702 -10.734 1.00 0.00 C ATOM 190 C SER A 13 6.914 -6.384 -11.302 1.00 0.00 C ATOM 191 O SER A 13 7.440 -5.548 -10.568 1.00 0.00 O ATOM 192 CB SER A 13 5.282 -7.445 -9.723 1.00 0.00 C ATOM 193 OG SER A 13 4.888 -8.648 -9.079 1.00 0.00 O ATOM 0 H SER A 13 7.991 -7.878 -9.392 1.00 0.00 H new ATOM 0 HA SER A 13 6.004 -8.307 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.619 -6.724 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.425 -7.003 -10.230 1.00 0.00 H new ATOM 0 HG SER A 13 4.657 -8.459 -8.145 1.00 0.00 H new ATOM 199 N GLU A 14 6.779 -6.204 -12.606 1.00 0.00 N ATOM 200 CA GLU A 14 7.270 -4.987 -13.244 1.00 0.00 C ATOM 201 C GLU A 14 6.124 -4.230 -13.886 1.00 0.00 C ATOM 202 O GLU A 14 5.039 -4.780 -14.091 1.00 0.00 O ATOM 203 CB GLU A 14 8.325 -5.276 -14.320 1.00 0.00 C ATOM 204 CG GLU A 14 9.341 -6.342 -13.955 1.00 0.00 C ATOM 205 CD GLU A 14 8.898 -7.719 -14.394 1.00 0.00 C ATOM 206 OE1 GLU A 14 8.330 -7.835 -15.505 1.00 0.00 O ATOM 207 OE2 GLU A 14 9.104 -8.685 -13.638 1.00 0.00 O ATOM 0 H GLU A 14 6.340 -6.873 -13.239 1.00 0.00 H new ATOM 0 HA GLU A 14 7.733 -4.389 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.815 -5.580 -15.234 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.856 -4.351 -14.544 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.299 -6.104 -14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.499 -6.338 -12.877 1.00 0.00 H new ATOM 214 N VAL A 15 6.373 -2.975 -14.217 1.00 0.00 N ATOM 215 CA VAL A 15 5.388 -2.176 -14.915 1.00 0.00 C ATOM 216 C VAL A 15 5.561 -2.321 -16.424 1.00 0.00 C ATOM 217 O VAL A 15 6.675 -2.284 -16.946 1.00 0.00 O ATOM 218 CB VAL A 15 5.453 -0.683 -14.519 1.00 0.00 C ATOM 219 CG1 VAL A 15 5.029 -0.492 -13.073 1.00 0.00 C ATOM 220 CG2 VAL A 15 6.846 -0.112 -14.749 1.00 0.00 C ATOM 0 H VAL A 15 7.247 -2.491 -14.013 1.00 0.00 H new ATOM 0 HA VAL A 15 4.407 -2.550 -14.621 1.00 0.00 H new ATOM 0 HB VAL A 15 4.758 -0.138 -15.157 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.082 0.566 -12.815 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.006 -0.846 -12.944 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.694 -1.058 -12.421 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.860 0.939 -14.461 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.569 -0.663 -14.147 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.107 -0.203 -15.803 1.00 0.00 H new ATOM 230 N ILE A 16 4.452 -2.515 -17.104 1.00 0.00 N ATOM 231 CA ILE A 16 4.426 -2.660 -18.543 1.00 0.00 C ATOM 232 C ILE A 16 3.374 -1.721 -19.121 1.00 0.00 C ATOM 233 O ILE A 16 2.263 -1.637 -18.593 1.00 0.00 O ATOM 234 CB ILE A 16 4.130 -4.127 -18.957 1.00 0.00 C ATOM 235 CG1 ILE A 16 4.048 -4.256 -20.483 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.849 -4.628 -18.302 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.800 -5.672 -20.963 1.00 0.00 C ATOM 0 H ILE A 16 3.532 -2.577 -16.668 1.00 0.00 H new ATOM 0 HA ILE A 16 5.407 -2.400 -18.940 1.00 0.00 H new ATOM 0 HB ILE A 16 4.954 -4.750 -18.608 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.249 -3.612 -20.851 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.978 -3.891 -20.920 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.663 -5.658 -18.607 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.953 -4.584 -17.218 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.013 -4.001 -18.612 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.754 -5.684 -22.052 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.611 -6.318 -20.627 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.856 -6.034 -20.556 1.00 0.00 H new ATOM 249 N LEU A 17 3.742 -0.997 -20.176 1.00 0.00 N ATOM 250 CA LEU A 17 2.844 -0.037 -20.820 1.00 0.00 C ATOM 251 C LEU A 17 2.530 1.116 -19.865 1.00 0.00 C ATOM 252 O LEU A 17 1.604 1.039 -19.057 1.00 0.00 O ATOM 253 CB LEU A 17 1.544 -0.730 -21.278 1.00 0.00 C ATOM 254 CG LEU A 17 0.728 -0.025 -22.379 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.448 -0.898 -22.788 1.00 0.00 C ATOM 256 CD2 LEU A 17 0.220 1.340 -21.928 1.00 0.00 C ATOM 0 H LEU A 17 4.664 -1.057 -20.607 1.00 0.00 H new ATOM 0 HA LEU A 17 3.343 0.366 -21.701 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.799 -1.729 -21.632 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.901 -0.855 -20.407 1.00 0.00 H new ATOM 0 HG LEU A 17 1.391 0.132 -23.230 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.021 -0.395 -23.567 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.079 -1.851 -23.168 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.088 -1.075 -21.923 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.350 1.801 -22.735 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.421 1.219 -21.054 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.067 1.977 -21.672 1.00 0.00 H new ATOM 268 N ALA A 18 3.327 2.169 -19.942 1.00 0.00 N ATOM 269 CA ALA A 18 3.067 3.381 -19.185 1.00 0.00 C ATOM 270 C ALA A 18 2.794 4.535 -20.138 1.00 0.00 C ATOM 271 O ALA A 18 3.515 4.718 -21.117 1.00 0.00 O ATOM 272 CB ALA A 18 4.243 3.705 -18.273 1.00 0.00 C ATOM 0 H ALA A 18 4.163 2.208 -20.524 1.00 0.00 H new ATOM 0 HA ALA A 18 2.188 3.225 -18.560 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.030 4.616 -17.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.402 2.881 -17.577 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.141 3.850 -18.874 1.00 0.00 H new ATOM 278 N THR A 19 1.743 5.295 -19.863 1.00 0.00 N ATOM 279 CA THR A 19 1.361 6.414 -20.717 1.00 0.00 C ATOM 280 C THR A 19 2.459 7.476 -20.771 1.00 0.00 C ATOM 281 O THR A 19 2.761 8.019 -21.834 1.00 0.00 O ATOM 282 CB THR A 19 0.050 7.056 -20.228 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.952 6.047 -20.096 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.433 8.130 -21.193 1.00 0.00 C ATOM 0 H THR A 19 1.138 5.158 -19.054 1.00 0.00 H new ATOM 0 HA THR A 19 1.212 6.015 -21.721 1.00 0.00 H new ATOM 0 HB THR A 19 0.238 7.526 -19.263 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.629 5.341 -19.498 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.360 8.564 -20.820 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.324 8.910 -21.278 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.609 7.686 -22.173 1.00 0.00 H new ATOM 292 N SER A 20 3.057 7.765 -19.626 1.00 0.00 N ATOM 293 CA SER A 20 4.132 8.733 -19.566 1.00 0.00 C ATOM 294 C SER A 20 5.344 8.148 -18.852 1.00 0.00 C ATOM 295 O SER A 20 5.213 7.404 -17.877 1.00 0.00 O ATOM 296 CB SER A 20 3.652 10.012 -18.878 1.00 0.00 C ATOM 297 OG SER A 20 3.041 9.737 -17.631 1.00 0.00 O ATOM 0 H SER A 20 2.815 7.343 -18.730 1.00 0.00 H new ATOM 0 HA SER A 20 4.434 8.984 -20.583 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.497 10.684 -18.729 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.943 10.529 -19.525 1.00 0.00 H new ATOM 0 HG SER A 20 2.179 9.296 -17.779 1.00 0.00 H new ATOM 303 N SER A 21 6.519 8.446 -19.373 1.00 0.00 N ATOM 304 CA SER A 21 7.760 8.004 -18.765 1.00 0.00 C ATOM 305 C SER A 21 8.855 9.022 -19.036 1.00 0.00 C ATOM 306 O SER A 21 8.985 9.520 -20.156 1.00 0.00 O ATOM 307 CB SER A 21 8.161 6.630 -19.306 1.00 0.00 C ATOM 308 OG SER A 21 7.162 5.663 -19.024 1.00 0.00 O ATOM 0 H SER A 21 6.640 8.997 -20.223 1.00 0.00 H new ATOM 0 HA SER A 21 7.616 7.917 -17.688 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.320 6.691 -20.383 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.107 6.322 -18.861 1.00 0.00 H new ATOM 0 HG SER A 21 7.439 4.793 -19.380 1.00 0.00 H new ATOM 314 N ASP A 22 9.626 9.340 -18.013 1.00 0.00 N ATOM 315 CA ASP A 22 10.686 10.326 -18.135 1.00 0.00 C ATOM 316 C ASP A 22 12.017 9.679 -17.765 1.00 0.00 C ATOM 317 O ASP A 22 12.039 8.652 -17.089 1.00 0.00 O ATOM 318 CB ASP A 22 10.392 11.524 -17.224 1.00 0.00 C ATOM 319 CG ASP A 22 11.221 12.744 -17.564 1.00 0.00 C ATOM 320 OD1 ASP A 22 12.419 12.764 -17.230 1.00 0.00 O ATOM 321 OD2 ASP A 22 10.676 13.697 -18.158 1.00 0.00 O ATOM 0 H ASP A 22 9.538 8.928 -17.084 1.00 0.00 H new ATOM 0 HA ASP A 22 10.741 10.685 -19.163 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.335 11.778 -17.297 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.580 11.241 -16.188 1.00 0.00 H new ATOM 326 N GLU A 23 13.119 10.261 -18.211 1.00 0.00 N ATOM 327 CA GLU A 23 14.435 9.706 -17.924 1.00 0.00 C ATOM 328 C GLU A 23 14.938 10.224 -16.579 1.00 0.00 C ATOM 329 O GLU A 23 15.832 9.640 -15.963 1.00 0.00 O ATOM 330 CB GLU A 23 15.421 10.066 -19.037 1.00 0.00 C ATOM 331 CG GLU A 23 16.621 9.137 -19.108 1.00 0.00 C ATOM 332 CD GLU A 23 16.235 7.727 -19.509 1.00 0.00 C ATOM 333 OE1 GLU A 23 15.696 6.983 -18.661 1.00 0.00 O ATOM 334 OE2 GLU A 23 16.455 7.357 -20.681 1.00 0.00 O ATOM 0 H GLU A 23 13.130 11.114 -18.771 1.00 0.00 H new ATOM 0 HA GLU A 23 14.355 8.620 -17.875 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.899 10.046 -19.994 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.771 11.087 -18.885 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.341 9.532 -19.825 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.117 9.113 -18.138 1.00 0.00 H new ATOM 341 N LYS A 24 14.361 11.334 -16.137 1.00 0.00 N ATOM 342 CA LYS A 24 14.672 11.895 -14.831 1.00 0.00 C ATOM 343 C LYS A 24 13.761 11.280 -13.778 1.00 0.00 C ATOM 344 O LYS A 24 14.061 11.298 -12.585 1.00 0.00 O ATOM 345 CB LYS A 24 14.495 13.417 -14.846 1.00 0.00 C ATOM 346 CG LYS A 24 15.359 14.127 -15.872 1.00 0.00 C ATOM 347 CD LYS A 24 15.035 15.611 -15.934 1.00 0.00 C ATOM 348 CE LYS A 24 15.871 16.322 -16.986 1.00 0.00 C ATOM 349 NZ LYS A 24 15.686 15.731 -18.337 1.00 0.00 N ATOM 0 H LYS A 24 13.671 11.865 -16.668 1.00 0.00 H new ATOM 0 HA LYS A 24 15.710 11.667 -14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.449 13.649 -15.044 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.727 13.810 -13.856 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.411 13.992 -15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.206 13.678 -16.853 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.977 15.744 -16.158 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.214 16.064 -14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.600 17.377 -17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.924 16.270 -16.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.045 16.391 -19.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.209 14.834 -18.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.675 15.554 -18.503 1.00 0.00 H new ATOM 363 N HIS A 25 12.638 10.741 -14.237 1.00 0.00 N ATOM 364 CA HIS A 25 11.676 10.096 -13.355 1.00 0.00 C ATOM 365 C HIS A 25 11.293 8.736 -13.928 1.00 0.00 C ATOM 366 O HIS A 25 10.307 8.618 -14.656 1.00 0.00 O ATOM 367 CB HIS A 25 10.415 10.954 -13.183 1.00 0.00 C ATOM 368 CG HIS A 25 10.679 12.382 -12.803 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.020 12.777 -11.527 1.00 0.00 N ATOM 370 CD2 HIS A 25 10.651 13.512 -13.551 1.00 0.00 C ATOM 371 CE1 HIS A 25 11.187 14.089 -11.505 1.00 0.00 C ATOM 372 NE2 HIS A 25 10.969 14.556 -12.721 1.00 0.00 N ATOM 0 H HIS A 25 12.371 10.739 -15.221 1.00 0.00 H new ATOM 0 HA HIS A 25 12.140 9.972 -12.376 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.850 10.938 -14.115 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.783 10.499 -12.420 1.00 0.00 H new ATOM 0 HD1 HIS A 25 11.127 12.155 -10.726 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.421 13.578 -14.604 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.456 14.678 -10.640 1.00 0.00 H new ATOM 380 N PRO A 26 12.093 7.701 -13.642 1.00 0.00 N ATOM 381 CA PRO A 26 11.886 6.363 -14.181 1.00 0.00 C ATOM 382 C PRO A 26 10.894 5.544 -13.353 1.00 0.00 C ATOM 383 O PRO A 26 10.906 5.596 -12.123 1.00 0.00 O ATOM 384 CB PRO A 26 13.288 5.733 -14.125 1.00 0.00 C ATOM 385 CG PRO A 26 14.169 6.713 -13.403 1.00 0.00 C ATOM 386 CD PRO A 26 13.270 7.742 -12.777 1.00 0.00 C ATOM 0 HA PRO A 26 11.458 6.391 -15.183 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.263 4.777 -13.603 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.666 5.538 -15.129 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.764 6.208 -12.642 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.869 7.183 -14.094 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.024 7.492 -11.745 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.731 8.730 -12.765 1.00 0.00 H new ATOM 394 N PRO A 27 10.026 4.765 -14.026 1.00 0.00 N ATOM 395 CA PRO A 27 8.994 3.940 -13.368 1.00 0.00 C ATOM 396 C PRO A 27 9.575 2.882 -12.422 1.00 0.00 C ATOM 397 O PRO A 27 8.852 2.305 -11.607 1.00 0.00 O ATOM 398 CB PRO A 27 8.271 3.269 -14.540 1.00 0.00 C ATOM 399 CG PRO A 27 8.572 4.131 -15.716 1.00 0.00 C ATOM 400 CD PRO A 27 9.962 4.645 -15.490 1.00 0.00 C ATOM 0 HA PRO A 27 8.347 4.547 -12.734 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.628 2.251 -14.694 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.198 3.207 -14.359 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.509 3.564 -16.645 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.858 4.951 -15.795 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.716 3.957 -15.874 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.125 5.604 -15.983 1.00 0.00 H new ATOM 408 N GLU A 28 10.878 2.634 -12.538 1.00 0.00 N ATOM 409 CA GLU A 28 11.576 1.731 -11.625 1.00 0.00 C ATOM 410 C GLU A 28 11.403 2.196 -10.184 1.00 0.00 C ATOM 411 O GLU A 28 11.358 1.387 -9.258 1.00 0.00 O ATOM 412 CB GLU A 28 13.066 1.673 -11.968 1.00 0.00 C ATOM 413 CG GLU A 28 13.382 0.917 -13.247 1.00 0.00 C ATOM 414 CD GLU A 28 13.145 -0.574 -13.115 1.00 0.00 C ATOM 415 OE1 GLU A 28 13.779 -1.201 -12.236 1.00 0.00 O ATOM 416 OE2 GLU A 28 12.346 -1.124 -13.894 1.00 0.00 O ATOM 0 H GLU A 28 11.473 3.047 -13.257 1.00 0.00 H new ATOM 0 HA GLU A 28 11.146 0.736 -11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.447 2.690 -12.057 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.600 1.204 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.768 1.309 -14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.422 1.093 -13.522 1.00 0.00 H new ATOM 423 N ASN A 29 11.291 3.511 -10.019 1.00 0.00 N ATOM 424 CA ASN A 29 11.095 4.132 -8.713 1.00 0.00 C ATOM 425 C ASN A 29 9.863 3.568 -8.006 1.00 0.00 C ATOM 426 O ASN A 29 9.911 3.249 -6.814 1.00 0.00 O ATOM 427 CB ASN A 29 10.958 5.650 -8.889 1.00 0.00 C ATOM 428 CG ASN A 29 10.460 6.351 -7.643 1.00 0.00 C ATOM 429 OD1 ASN A 29 9.261 6.545 -7.465 1.00 0.00 O ATOM 430 ND2 ASN A 29 11.378 6.743 -6.778 1.00 0.00 N ATOM 0 H ASN A 29 11.334 4.178 -10.790 1.00 0.00 H new ATOM 0 HA ASN A 29 11.962 3.910 -8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.926 6.066 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.272 5.854 -9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.100 7.227 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.364 6.562 -6.964 1.00 0.00 H new ATOM 437 N ILE A 30 8.783 3.413 -8.762 1.00 0.00 N ATOM 438 CA ILE A 30 7.508 2.975 -8.210 1.00 0.00 C ATOM 439 C ILE A 30 7.592 1.555 -7.660 1.00 0.00 C ATOM 440 O ILE A 30 7.281 1.311 -6.492 1.00 0.00 O ATOM 441 CB ILE A 30 6.391 3.021 -9.276 1.00 0.00 C ATOM 442 CG1 ILE A 30 6.314 4.404 -9.926 1.00 0.00 C ATOM 443 CG2 ILE A 30 5.050 2.652 -8.655 1.00 0.00 C ATOM 444 CD1 ILE A 30 5.323 4.475 -11.071 1.00 0.00 C ATOM 0 H ILE A 30 8.766 3.586 -9.767 1.00 0.00 H new ATOM 0 HA ILE A 30 7.271 3.663 -7.399 1.00 0.00 H new ATOM 0 HB ILE A 30 6.630 2.293 -10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.037 5.138 -9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.302 4.681 -10.293 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.273 2.689 -9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.105 1.645 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.811 3.358 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.319 5.483 -11.486 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.611 3.764 -11.846 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.326 4.229 -10.705 1.00 0.00 H new ATOM 456 N ILE A 31 8.028 0.624 -8.502 1.00 0.00 N ATOM 457 CA ILE A 31 7.993 -0.793 -8.155 1.00 0.00 C ATOM 458 C ILE A 31 9.210 -1.234 -7.350 1.00 0.00 C ATOM 459 O ILE A 31 9.280 -2.374 -6.909 1.00 0.00 O ATOM 460 CB ILE A 31 7.858 -1.690 -9.402 1.00 0.00 C ATOM 461 CG1 ILE A 31 8.969 -1.399 -10.414 1.00 0.00 C ATOM 462 CG2 ILE A 31 6.489 -1.501 -10.037 1.00 0.00 C ATOM 463 CD1 ILE A 31 8.961 -2.337 -11.603 1.00 0.00 C ATOM 0 H ILE A 31 8.409 0.824 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 31 7.108 -0.913 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 31 7.959 -2.729 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.867 -0.373 -10.769 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.934 -1.468 -9.912 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.405 -2.139 -10.917 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.714 -1.769 -9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.365 -0.459 -10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.774 -2.074 -12.280 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.093 -3.363 -11.258 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.010 -2.251 -12.128 1.00 0.00 H new ATOM 475 N ASP A 32 10.179 -0.352 -7.172 1.00 0.00 N ATOM 476 CA ASP A 32 11.301 -0.668 -6.294 1.00 0.00 C ATOM 477 C ASP A 32 11.071 -0.039 -4.925 1.00 0.00 C ATOM 478 O ASP A 32 11.665 -0.452 -3.932 1.00 0.00 O ATOM 479 CB ASP A 32 12.631 -0.201 -6.890 1.00 0.00 C ATOM 480 CG ASP A 32 13.828 -0.812 -6.177 1.00 0.00 C ATOM 481 OD1 ASP A 32 14.073 -2.027 -6.353 1.00 0.00 O ATOM 482 OD2 ASP A 32 14.524 -0.091 -5.435 1.00 0.00 O ATOM 0 H ASP A 32 10.216 0.568 -7.610 1.00 0.00 H new ATOM 0 HA ASP A 32 11.360 -1.751 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.666 -0.466 -7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.692 0.886 -6.831 1.00 0.00 H new ATOM 487 N GLY A 33 10.180 0.947 -4.886 1.00 0.00 N ATOM 488 CA GLY A 33 9.822 1.582 -3.633 1.00 0.00 C ATOM 489 C GLY A 33 10.848 2.598 -3.182 1.00 0.00 C ATOM 490 O GLY A 33 11.276 2.584 -2.029 1.00 0.00 O ATOM 0 H GLY A 33 9.698 1.318 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.854 2.072 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.708 0.819 -2.863 1.00 0.00 H new ATOM 494 N ASN A 34 11.238 3.485 -4.087 1.00 0.00 N ATOM 495 CA ASN A 34 12.263 4.481 -3.786 1.00 0.00 C ATOM 496 C ASN A 34 11.628 5.795 -3.354 1.00 0.00 C ATOM 497 O ASN A 34 10.864 6.398 -4.103 1.00 0.00 O ATOM 498 CB ASN A 34 13.173 4.728 -4.997 1.00 0.00 C ATOM 499 CG ASN A 34 14.111 3.572 -5.297 1.00 0.00 C ATOM 500 OD1 ASN A 34 15.207 3.769 -5.821 1.00 0.00 O ATOM 501 ND2 ASN A 34 13.694 2.365 -4.961 1.00 0.00 N ATOM 0 H ASN A 34 10.863 3.537 -5.034 1.00 0.00 H new ATOM 0 HA ASN A 34 12.868 4.088 -2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.554 4.920 -5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.763 5.627 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.288 1.554 -5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.778 2.244 -4.528 1.00 0.00 H new ATOM 508 N PRO A 35 11.933 6.263 -2.138 1.00 0.00 N ATOM 509 CA PRO A 35 11.432 7.537 -1.627 1.00 0.00 C ATOM 510 C PRO A 35 12.232 8.731 -2.151 1.00 0.00 C ATOM 511 O PRO A 35 12.151 9.834 -1.609 1.00 0.00 O ATOM 512 CB PRO A 35 11.590 7.411 -0.104 1.00 0.00 C ATOM 513 CG PRO A 35 12.130 6.037 0.147 1.00 0.00 C ATOM 514 CD PRO A 35 12.758 5.583 -1.138 1.00 0.00 C ATOM 0 HA PRO A 35 10.405 7.721 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.268 8.172 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.634 7.552 0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.863 6.050 0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.334 5.357 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.806 5.876 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.723 4.499 -1.249 1.00 0.00 H new ATOM 522 N GLU A 36 12.987 8.510 -3.219 1.00 0.00 N ATOM 523 CA GLU A 36 13.824 9.554 -3.795 1.00 0.00 C ATOM 524 C GLU A 36 13.008 10.475 -4.702 1.00 0.00 C ATOM 525 O GLU A 36 12.750 11.628 -4.360 1.00 0.00 O ATOM 526 CB GLU A 36 14.980 8.928 -4.578 1.00 0.00 C ATOM 527 CG GLU A 36 15.927 9.947 -5.193 1.00 0.00 C ATOM 528 CD GLU A 36 17.060 9.299 -5.959 1.00 0.00 C ATOM 529 OE1 GLU A 36 18.107 9.019 -5.346 1.00 0.00 O ATOM 530 OE2 GLU A 36 16.902 9.067 -7.177 1.00 0.00 O ATOM 0 H GLU A 36 13.037 7.615 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 36 14.229 10.155 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.546 8.275 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.572 8.300 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.367 10.600 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.339 10.577 -4.405 1.00 0.00 H new ATOM 537 N THR A 37 12.586 9.954 -5.846 1.00 0.00 N ATOM 538 CA THR A 37 11.849 10.751 -6.810 1.00 0.00 C ATOM 539 C THR A 37 10.390 10.298 -6.869 1.00 0.00 C ATOM 540 O THR A 37 9.946 9.504 -6.035 1.00 0.00 O ATOM 541 CB THR A 37 12.499 10.672 -8.217 1.00 0.00 C ATOM 542 OG1 THR A 37 11.950 11.678 -9.084 1.00 0.00 O ATOM 543 CG2 THR A 37 12.305 9.299 -8.849 1.00 0.00 C ATOM 0 H THR A 37 12.742 8.986 -6.126 1.00 0.00 H new ATOM 0 HA THR A 37 11.881 11.791 -6.484 1.00 0.00 H new ATOM 0 HB THR A 37 13.568 10.845 -8.089 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.665 12.063 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.773 9.282 -9.833 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.763 8.539 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.240 9.093 -8.951 1.00 0.00 H new ATOM 551 N PHE A 38 9.655 10.813 -7.842 1.00 0.00 N ATOM 552 CA PHE A 38 8.251 10.485 -8.010 1.00 0.00 C ATOM 553 C PHE A 38 7.894 10.416 -9.490 1.00 0.00 C ATOM 554 O PHE A 38 8.539 11.060 -10.324 1.00 0.00 O ATOM 555 CB PHE A 38 7.373 11.526 -7.298 1.00 0.00 C ATOM 556 CG PHE A 38 7.613 12.944 -7.752 1.00 0.00 C ATOM 557 CD1 PHE A 38 8.589 13.724 -7.149 1.00 0.00 C ATOM 558 CD2 PHE A 38 6.864 13.496 -8.780 1.00 0.00 C ATOM 559 CE1 PHE A 38 8.816 15.023 -7.565 1.00 0.00 C ATOM 560 CE2 PHE A 38 7.085 14.795 -9.199 1.00 0.00 C ATOM 561 CZ PHE A 38 8.063 15.559 -8.590 1.00 0.00 C ATOM 0 H PHE A 38 10.015 11.469 -8.535 1.00 0.00 H new ATOM 0 HA PHE A 38 8.067 9.508 -7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.325 11.275 -7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.552 11.464 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 38 9.179 13.311 -6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.098 12.904 -9.259 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.582 15.617 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.494 15.212 -10.001 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.238 16.574 -8.916 1.00 0.00 H new ATOM 571 N TRP A 39 6.878 9.630 -9.808 1.00 0.00 N ATOM 572 CA TRP A 39 6.364 9.545 -11.165 1.00 0.00 C ATOM 573 C TRP A 39 5.236 10.553 -11.326 1.00 0.00 C ATOM 574 O TRP A 39 4.256 10.521 -10.580 1.00 0.00 O ATOM 575 CB TRP A 39 5.868 8.122 -11.451 1.00 0.00 C ATOM 576 CG TRP A 39 5.326 7.921 -12.839 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.045 7.659 -13.972 1.00 0.00 C ATOM 578 CD2 TRP A 39 3.947 7.947 -13.236 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.199 7.528 -15.046 1.00 0.00 N ATOM 580 CE2 TRP A 39 3.908 7.700 -14.621 1.00 0.00 C ATOM 581 CE3 TRP A 39 2.743 8.157 -12.559 1.00 0.00 C ATOM 582 CZ2 TRP A 39 2.712 7.655 -15.335 1.00 0.00 C ATOM 583 CZ3 TRP A 39 1.559 8.114 -13.269 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.551 7.864 -14.646 1.00 0.00 C ATOM 0 H TRP A 39 6.389 9.037 -9.138 1.00 0.00 H new ATOM 0 HA TRP A 39 7.155 9.775 -11.878 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.690 7.425 -11.290 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.090 7.869 -10.730 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.120 7.568 -14.016 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.486 7.334 -16.005 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.738 8.350 -11.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.703 7.461 -16.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.624 8.276 -12.753 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.609 7.836 -15.174 1.00 0.00 H new ATOM 595 N THR A 40 5.382 11.460 -12.278 1.00 0.00 N ATOM 596 CA THR A 40 4.424 12.535 -12.442 1.00 0.00 C ATOM 597 C THR A 40 3.822 12.517 -13.846 1.00 0.00 C ATOM 598 O THR A 40 4.407 11.967 -14.780 1.00 0.00 O ATOM 599 CB THR A 40 5.082 13.904 -12.150 1.00 0.00 C ATOM 600 OG1 THR A 40 4.086 14.926 -12.028 1.00 0.00 O ATOM 601 CG2 THR A 40 6.071 14.287 -13.240 1.00 0.00 C ATOM 0 H THR A 40 6.153 11.472 -12.946 1.00 0.00 H new ATOM 0 HA THR A 40 3.618 12.382 -11.724 1.00 0.00 H new ATOM 0 HB THR A 40 5.622 13.812 -11.208 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.695 14.896 -11.130 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.516 15.254 -13.004 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.855 13.532 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.552 14.350 -14.196 1.00 0.00 H new ATOM 609 N THR A 41 2.648 13.110 -13.977 1.00 0.00 N ATOM 610 CA THR A 41 1.925 13.126 -15.236 1.00 0.00 C ATOM 611 C THR A 41 2.491 14.170 -16.196 1.00 0.00 C ATOM 612 O THR A 41 2.769 15.303 -15.803 1.00 0.00 O ATOM 613 CB THR A 41 0.436 13.418 -14.995 1.00 0.00 C ATOM 614 OG1 THR A 41 0.300 14.619 -14.225 1.00 0.00 O ATOM 615 CG2 THR A 41 -0.234 12.263 -14.265 1.00 0.00 C ATOM 0 H THR A 41 2.171 13.593 -13.216 1.00 0.00 H new ATOM 0 HA THR A 41 2.040 12.141 -15.688 1.00 0.00 H new ATOM 0 HB THR A 41 -0.052 13.543 -15.962 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.042 15.225 -14.431 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.287 12.495 -14.107 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.148 11.356 -14.863 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.253 12.110 -13.302 1.00 0.00 H new ATOM 623 N THR A 42 2.642 13.787 -17.456 1.00 0.00 N ATOM 624 CA THR A 42 3.143 14.689 -18.485 1.00 0.00 C ATOM 625 C THR A 42 2.062 15.658 -18.962 1.00 0.00 C ATOM 626 O THR A 42 2.333 16.581 -19.732 1.00 0.00 O ATOM 627 CB THR A 42 3.677 13.892 -19.684 1.00 0.00 C ATOM 628 OG1 THR A 42 2.750 12.847 -20.012 1.00 0.00 O ATOM 629 CG2 THR A 42 5.044 13.296 -19.377 1.00 0.00 C ATOM 0 H THR A 42 2.423 12.850 -17.793 1.00 0.00 H new ATOM 0 HA THR A 42 3.952 15.268 -18.040 1.00 0.00 H new ATOM 0 HB THR A 42 3.785 14.568 -20.532 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.088 12.338 -20.778 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.400 12.737 -20.242 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.747 14.097 -19.149 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.965 12.627 -18.520 1.00 0.00 H new ATOM 637 N GLY A 43 0.834 15.434 -18.513 1.00 0.00 N ATOM 638 CA GLY A 43 -0.255 16.324 -18.862 1.00 0.00 C ATOM 639 C GLY A 43 -1.232 15.702 -19.836 1.00 0.00 C ATOM 640 O GLY A 43 -2.335 16.213 -20.023 1.00 0.00 O ATOM 0 H GLY A 43 0.573 14.651 -17.913 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.787 16.613 -17.955 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.153 17.237 -19.297 1.00 0.00 H new ATOM 644 N MET A 44 -0.834 14.602 -20.460 1.00 0.00 N ATOM 645 CA MET A 44 -1.700 13.907 -21.407 1.00 0.00 C ATOM 646 C MET A 44 -2.517 12.839 -20.690 1.00 0.00 C ATOM 647 O MET A 44 -1.994 11.793 -20.322 1.00 0.00 O ATOM 648 CB MET A 44 -0.870 13.272 -22.527 1.00 0.00 C ATOM 649 CG MET A 44 -1.705 12.604 -23.610 1.00 0.00 C ATOM 650 SD MET A 44 -2.753 13.773 -24.499 1.00 0.00 S ATOM 651 CE MET A 44 -3.548 12.680 -25.676 1.00 0.00 C ATOM 0 H MET A 44 0.081 14.171 -20.329 1.00 0.00 H new ATOM 0 HA MET A 44 -2.381 14.634 -21.849 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.247 14.040 -22.984 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.197 12.533 -22.093 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.043 12.104 -24.317 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.329 11.833 -23.158 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.231 13.254 -26.302 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.791 12.207 -26.302 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.106 11.912 -25.140 1.00 0.00 H new ATOM 661 N PHE A 45 -3.791 13.120 -20.472 1.00 0.00 N ATOM 662 CA PHE A 45 -4.670 12.190 -19.776 1.00 0.00 C ATOM 663 C PHE A 45 -5.445 11.340 -20.777 1.00 0.00 C ATOM 664 O PHE A 45 -5.623 11.741 -21.925 1.00 0.00 O ATOM 665 CB PHE A 45 -5.640 12.948 -18.864 1.00 0.00 C ATOM 666 CG PHE A 45 -4.968 13.631 -17.707 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.606 12.911 -16.578 1.00 0.00 C ATOM 668 CD2 PHE A 45 -4.700 14.990 -17.743 1.00 0.00 C ATOM 669 CE1 PHE A 45 -3.990 13.532 -15.509 1.00 0.00 C ATOM 670 CE2 PHE A 45 -4.084 15.617 -16.677 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.729 14.887 -15.559 1.00 0.00 C ATOM 0 H PHE A 45 -4.242 13.986 -20.767 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.056 11.533 -19.161 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.174 13.693 -19.454 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.385 12.251 -18.481 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.808 11.851 -16.534 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.976 15.566 -18.614 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.713 12.959 -14.636 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.880 16.677 -16.718 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.248 15.376 -14.725 1.00 0.00 H new ATOM 681 N PRO A 46 -5.910 10.150 -20.365 1.00 0.00 N ATOM 682 CA PRO A 46 -5.691 9.618 -19.025 1.00 0.00 C ATOM 683 C PRO A 46 -4.332 8.939 -18.895 1.00 0.00 C ATOM 684 O PRO A 46 -3.628 8.743 -19.886 1.00 0.00 O ATOM 685 CB PRO A 46 -6.819 8.584 -18.854 1.00 0.00 C ATOM 686 CG PRO A 46 -7.585 8.579 -20.142 1.00 0.00 C ATOM 687 CD PRO A 46 -6.703 9.225 -21.172 1.00 0.00 C ATOM 0 HA PRO A 46 -5.700 10.404 -18.270 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.411 7.596 -18.640 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.466 8.849 -18.018 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.841 7.561 -20.436 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.522 9.126 -20.037 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.078 8.496 -21.687 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.282 9.745 -21.935 1.00 0.00 H new ATOM 695 N GLN A 47 -3.968 8.579 -17.676 1.00 0.00 N ATOM 696 CA GLN A 47 -2.710 7.895 -17.430 1.00 0.00 C ATOM 697 C GLN A 47 -2.962 6.435 -17.103 1.00 0.00 C ATOM 698 O GLN A 47 -3.501 6.114 -16.050 1.00 0.00 O ATOM 699 CB GLN A 47 -1.955 8.558 -16.277 1.00 0.00 C ATOM 700 CG GLN A 47 -1.440 9.949 -16.601 1.00 0.00 C ATOM 701 CD GLN A 47 -0.322 9.936 -17.627 1.00 0.00 C ATOM 702 OE1 GLN A 47 0.451 8.984 -17.716 1.00 0.00 O ATOM 703 NE2 GLN A 47 -0.230 10.994 -18.412 1.00 0.00 N ATOM 0 H GLN A 47 -4.527 8.749 -16.840 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.103 7.960 -18.333 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.613 8.617 -15.410 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.113 7.926 -15.995 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.263 10.559 -16.974 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.082 10.422 -15.686 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.890 11.765 -18.308 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.501 11.040 -19.122 1.00 0.00 H new ATOM 712 N GLU A 48 -2.566 5.558 -18.000 1.00 0.00 N ATOM 713 CA GLU A 48 -2.736 4.131 -17.794 1.00 0.00 C ATOM 714 C GLU A 48 -1.383 3.442 -17.711 1.00 0.00 C ATOM 715 O GLU A 48 -0.464 3.751 -18.479 1.00 0.00 O ATOM 716 CB GLU A 48 -3.579 3.514 -18.918 1.00 0.00 C ATOM 717 CG GLU A 48 -3.055 3.799 -20.318 1.00 0.00 C ATOM 718 CD GLU A 48 -3.785 3.011 -21.385 1.00 0.00 C ATOM 719 OE1 GLU A 48 -4.951 3.335 -21.680 1.00 0.00 O ATOM 720 OE2 GLU A 48 -3.200 2.045 -21.918 1.00 0.00 O ATOM 0 H GLU A 48 -2.122 5.807 -18.884 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.262 3.984 -16.851 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.625 2.435 -18.772 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.599 3.890 -18.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.152 4.864 -20.528 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.992 3.561 -20.359 1.00 0.00 H new ATOM 727 N PHE A 49 -1.254 2.540 -16.755 1.00 0.00 N ATOM 728 CA PHE A 49 -0.054 1.739 -16.620 1.00 0.00 C ATOM 729 C PHE A 49 -0.396 0.384 -16.023 1.00 0.00 C ATOM 730 O PHE A 49 -1.160 0.288 -15.060 1.00 0.00 O ATOM 731 CB PHE A 49 1.018 2.463 -15.786 1.00 0.00 C ATOM 732 CG PHE A 49 0.581 2.883 -14.404 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.137 4.055 -14.212 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.912 2.117 -13.295 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.519 4.451 -12.944 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.530 2.508 -12.025 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.186 3.677 -11.850 1.00 0.00 C ATOM 0 H PHE A 49 -1.972 2.344 -16.057 1.00 0.00 H new ATOM 0 HA PHE A 49 0.367 1.584 -17.613 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.885 1.810 -15.693 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.343 3.349 -16.332 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.400 4.665 -15.063 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.475 1.204 -13.426 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.078 5.365 -12.809 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.791 1.901 -11.171 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.485 3.985 -10.859 1.00 0.00 H new ATOM 747 N ILE A 50 0.146 -0.660 -16.622 1.00 0.00 N ATOM 748 CA ILE A 50 -0.141 -2.018 -16.199 1.00 0.00 C ATOM 749 C ILE A 50 0.995 -2.545 -15.330 1.00 0.00 C ATOM 750 O ILE A 50 2.153 -2.238 -15.566 1.00 0.00 O ATOM 751 CB ILE A 50 -0.326 -2.950 -17.419 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.380 -2.374 -18.369 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.718 -4.353 -16.974 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.540 -3.159 -19.655 1.00 0.00 C ATOM 0 H ILE A 50 0.792 -0.592 -17.409 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.067 -2.004 -15.625 1.00 0.00 H new ATOM 0 HB ILE A 50 0.624 -3.016 -17.949 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.340 -2.340 -17.854 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.112 -1.346 -18.613 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.843 -4.991 -17.849 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.063 -4.763 -16.334 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.656 -4.310 -16.420 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.304 -2.690 -20.275 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.593 -3.172 -20.194 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.839 -4.181 -19.423 1.00 0.00 H new ATOM 766 N ILE A 51 0.659 -3.302 -14.309 1.00 0.00 N ATOM 767 CA ILE A 51 1.661 -3.946 -13.484 1.00 0.00 C ATOM 768 C ILE A 51 1.504 -5.458 -13.586 1.00 0.00 C ATOM 769 O ILE A 51 0.451 -6.010 -13.262 1.00 0.00 O ATOM 770 CB ILE A 51 1.560 -3.497 -12.010 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.514 -1.967 -11.929 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.741 -4.035 -11.215 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.367 -1.430 -10.520 1.00 0.00 C ATOM 0 H ILE A 51 -0.304 -3.488 -14.028 1.00 0.00 H new ATOM 0 HA ILE A 51 2.645 -3.652 -13.848 1.00 0.00 H new ATOM 0 HB ILE A 51 0.642 -3.898 -11.581 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.426 -1.562 -12.368 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.682 -1.606 -12.533 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.659 -3.712 -10.177 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.742 -5.124 -11.257 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.670 -3.655 -11.641 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.342 -0.341 -10.547 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.441 -1.803 -10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.212 -1.759 -9.915 1.00 0.00 H new ATOM 785 N CYS A 52 2.541 -6.118 -14.070 1.00 0.00 N ATOM 786 CA CYS A 52 2.487 -7.552 -14.306 1.00 0.00 C ATOM 787 C CYS A 52 3.188 -8.319 -13.193 1.00 0.00 C ATOM 788 O CYS A 52 4.388 -8.143 -12.965 1.00 0.00 O ATOM 789 CB CYS A 52 3.116 -7.886 -15.662 1.00 0.00 C ATOM 790 SG CYS A 52 4.747 -7.151 -15.922 1.00 0.00 S ATOM 0 H CYS A 52 3.433 -5.684 -14.308 1.00 0.00 H new ATOM 0 HA CYS A 52 1.440 -7.857 -14.315 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.199 -8.969 -15.755 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.447 -7.548 -16.454 1.00 0.00 H new ATOM 0 HG CYS A 52 4.974 -6.262 -15.001 1.00 0.00 H new ATOM 796 N PHE A 53 2.431 -9.178 -12.515 1.00 0.00 N ATOM 797 CA PHE A 53 2.956 -9.967 -11.402 1.00 0.00 C ATOM 798 C PHE A 53 3.620 -11.241 -11.907 1.00 0.00 C ATOM 799 O PHE A 53 4.407 -11.865 -11.195 1.00 0.00 O ATOM 800 CB PHE A 53 1.830 -10.331 -10.434 1.00 0.00 C ATOM 801 CG PHE A 53 1.108 -9.142 -9.866 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.592 -8.495 -8.742 1.00 0.00 C ATOM 803 CD2 PHE A 53 -0.055 -8.673 -10.455 1.00 0.00 C ATOM 804 CE1 PHE A 53 0.931 -7.403 -8.215 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.720 -7.583 -9.932 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.227 -6.947 -8.812 1.00 0.00 C ATOM 0 H PHE A 53 1.446 -9.346 -12.718 1.00 0.00 H new ATOM 0 HA PHE A 53 3.700 -9.363 -10.883 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.112 -10.967 -10.951 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.244 -10.918 -9.614 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.498 -8.849 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.445 -9.166 -11.333 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.319 -6.907 -7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.626 -7.228 -10.400 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.746 -6.093 -8.403 1.00 0.00 H new ATOM 816 N HIS A 54 3.257 -11.635 -13.134 1.00 0.00 N ATOM 817 CA HIS A 54 3.806 -12.827 -13.801 1.00 0.00 C ATOM 818 C HIS A 54 3.278 -14.124 -13.189 1.00 0.00 C ATOM 819 O HIS A 54 3.357 -15.180 -13.810 1.00 0.00 O ATOM 820 CB HIS A 54 5.342 -12.846 -13.764 1.00 0.00 C ATOM 821 CG HIS A 54 5.997 -11.816 -14.631 1.00 0.00 C ATOM 822 ND1 HIS A 54 6.663 -12.129 -15.793 1.00 0.00 N ATOM 823 CD2 HIS A 54 6.111 -10.477 -14.484 1.00 0.00 C ATOM 824 CE1 HIS A 54 7.162 -11.027 -16.321 1.00 0.00 C ATOM 825 NE2 HIS A 54 6.842 -10.007 -15.547 1.00 0.00 N ATOM 0 H HIS A 54 2.570 -11.134 -13.697 1.00 0.00 H new ATOM 0 HA HIS A 54 3.474 -12.766 -14.837 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.670 -12.698 -12.735 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.688 -13.833 -14.070 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.702 -9.885 -13.678 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.736 -10.970 -17.234 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.095 -9.033 -15.711 1.00 0.00 H new ATOM 833 N LYS A 55 2.724 -14.044 -11.990 1.00 0.00 N ATOM 834 CA LYS A 55 2.287 -15.232 -11.275 1.00 0.00 C ATOM 835 C LYS A 55 0.926 -15.009 -10.626 1.00 0.00 C ATOM 836 O LYS A 55 0.347 -13.929 -10.734 1.00 0.00 O ATOM 837 CB LYS A 55 3.328 -15.623 -10.220 1.00 0.00 C ATOM 838 CG LYS A 55 3.652 -14.514 -9.228 1.00 0.00 C ATOM 839 CD LYS A 55 4.727 -14.949 -8.246 1.00 0.00 C ATOM 840 CE LYS A 55 5.007 -13.874 -7.204 1.00 0.00 C ATOM 841 NZ LYS A 55 5.604 -12.647 -7.797 1.00 0.00 N ATOM 0 H LYS A 55 2.566 -13.168 -11.491 1.00 0.00 H new ATOM 0 HA LYS A 55 2.187 -16.047 -11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.965 -16.492 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.246 -15.925 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.986 -13.627 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.750 -14.235 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.414 -15.866 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.644 -15.178 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.078 -13.613 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.682 -14.273 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.853 -11.981 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.460 -12.900 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.916 -12.201 -8.437 1.00 0.00 H new ATOM 855 N HIS A 56 0.428 -16.029 -9.941 1.00 0.00 N ATOM 856 CA HIS A 56 -0.881 -15.960 -9.310 1.00 0.00 C ATOM 857 C HIS A 56 -0.753 -15.386 -7.909 1.00 0.00 C ATOM 858 O HIS A 56 -0.229 -16.043 -7.010 1.00 0.00 O ATOM 859 CB HIS A 56 -1.523 -17.347 -9.221 1.00 0.00 C ATOM 860 CG HIS A 56 -1.714 -18.037 -10.536 1.00 0.00 C ATOM 861 ND1 HIS A 56 -0.874 -19.027 -10.993 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.683 -17.911 -11.468 1.00 0.00 C ATOM 863 CE1 HIS A 56 -1.318 -19.478 -12.147 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.422 -18.822 -12.463 1.00 0.00 N ATOM 0 H HIS A 56 0.913 -16.916 -9.808 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.513 -15.316 -9.921 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.905 -17.978 -8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.493 -17.252 -8.732 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.512 -17.220 -11.437 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.857 -20.255 -12.738 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -2.984 -18.967 -13.302 1.00 0.00 H new ATOM 872 N VAL A 57 -1.218 -14.162 -7.725 1.00 0.00 N ATOM 873 CA VAL A 57 -1.147 -13.515 -6.424 1.00 0.00 C ATOM 874 C VAL A 57 -2.538 -13.269 -5.849 1.00 0.00 C ATOM 875 O VAL A 57 -3.491 -12.989 -6.581 1.00 0.00 O ATOM 876 CB VAL A 57 -0.372 -12.180 -6.488 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.091 -12.428 -6.827 1.00 0.00 C ATOM 878 CG2 VAL A 57 -1.005 -11.241 -7.503 1.00 0.00 C ATOM 0 H VAL A 57 -1.648 -13.597 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.607 -14.197 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.422 -11.707 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.621 -11.477 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.540 -13.061 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.161 -12.924 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.445 -10.307 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.988 -11.706 -8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.036 -11.036 -7.216 1.00 0.00 H new ATOM 888 N ARG A 58 -2.648 -13.410 -4.539 1.00 0.00 N ATOM 889 CA ARG A 58 -3.885 -13.140 -3.826 1.00 0.00 C ATOM 890 C ARG A 58 -3.869 -11.697 -3.350 1.00 0.00 C ATOM 891 O ARG A 58 -3.143 -11.364 -2.416 1.00 0.00 O ATOM 892 CB ARG A 58 -4.006 -14.070 -2.613 1.00 0.00 C ATOM 893 CG ARG A 58 -5.427 -14.298 -2.124 1.00 0.00 C ATOM 894 CD ARG A 58 -6.175 -15.237 -3.053 1.00 0.00 C ATOM 895 NE ARG A 58 -7.373 -15.803 -2.435 1.00 0.00 N ATOM 896 CZ ARG A 58 -7.519 -17.102 -2.170 1.00 0.00 C ATOM 897 NH1 ARG A 58 -6.489 -17.931 -2.306 1.00 0.00 N ATOM 898 NH2 ARG A 58 -8.677 -17.570 -1.725 1.00 0.00 N ATOM 0 H ARG A 58 -1.882 -13.715 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.732 -13.310 -4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.565 -15.034 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.417 -13.655 -1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.407 -14.716 -1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.952 -13.345 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.457 -14.698 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.511 -16.046 -3.358 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.137 -15.172 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.584 -17.574 -2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.603 -18.924 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.463 -16.935 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.782 -18.565 -1.524 1.00 0.00 H new ATOM 912 N ILE A 59 -4.640 -10.846 -4.002 1.00 0.00 N ATOM 913 CA ILE A 59 -4.691 -9.440 -3.637 1.00 0.00 C ATOM 914 C ILE A 59 -5.779 -9.227 -2.600 1.00 0.00 C ATOM 915 O ILE A 59 -6.903 -9.688 -2.779 1.00 0.00 O ATOM 916 CB ILE A 59 -4.965 -8.548 -4.870 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.900 -8.783 -5.948 1.00 0.00 C ATOM 918 CG2 ILE A 59 -5.004 -7.076 -4.471 1.00 0.00 C ATOM 919 CD1 ILE A 59 -4.160 -8.030 -7.237 1.00 0.00 C ATOM 0 H ILE A 59 -5.239 -11.102 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.722 -9.158 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.938 -8.818 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.927 -8.488 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.845 -9.850 -6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.198 -6.465 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.796 -6.918 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.046 -6.791 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.365 -8.246 -7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.117 -8.342 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.185 -6.959 -7.034 1.00 0.00 H new ATOM 931 N GLU A 60 -5.435 -8.564 -1.508 1.00 0.00 N ATOM 932 CA GLU A 60 -6.390 -8.315 -0.442 1.00 0.00 C ATOM 933 C GLU A 60 -6.501 -6.816 -0.159 1.00 0.00 C ATOM 934 O GLU A 60 -7.584 -6.308 0.147 1.00 0.00 O ATOM 935 CB GLU A 60 -5.973 -9.093 0.809 1.00 0.00 C ATOM 936 CG GLU A 60 -7.056 -9.195 1.868 1.00 0.00 C ATOM 937 CD GLU A 60 -6.822 -10.348 2.823 1.00 0.00 C ATOM 938 OE1 GLU A 60 -6.026 -10.196 3.768 1.00 0.00 O ATOM 939 OE2 GLU A 60 -7.433 -11.420 2.624 1.00 0.00 O ATOM 0 H GLU A 60 -4.502 -8.189 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.376 -8.661 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.673 -10.099 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.097 -8.614 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.099 -8.263 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.024 -9.319 1.383 1.00 0.00 H new ATOM 946 N ARG A 61 -5.384 -6.102 -0.273 1.00 0.00 N ATOM 947 CA ARG A 61 -5.395 -4.646 -0.157 1.00 0.00 C ATOM 948 C ARG A 61 -4.454 -4.024 -1.178 1.00 0.00 C ATOM 949 O ARG A 61 -3.439 -4.616 -1.545 1.00 0.00 O ATOM 950 CB ARG A 61 -4.992 -4.171 1.245 1.00 0.00 C ATOM 951 CG ARG A 61 -5.911 -4.640 2.361 1.00 0.00 C ATOM 952 CD ARG A 61 -5.745 -3.794 3.618 1.00 0.00 C ATOM 953 NE ARG A 61 -4.339 -3.547 3.938 1.00 0.00 N ATOM 954 CZ ARG A 61 -3.914 -2.925 5.036 1.00 0.00 C ATOM 955 NH1 ARG A 61 -4.780 -2.523 5.959 1.00 0.00 N ATOM 956 NH2 ARG A 61 -2.616 -2.706 5.202 1.00 0.00 N ATOM 0 H ARG A 61 -4.463 -6.506 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.420 -4.325 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.980 -4.518 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.962 -3.081 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.947 -4.593 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.699 -5.684 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.258 -2.842 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.224 -4.297 4.458 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.636 -3.874 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.778 -2.690 5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.447 -2.047 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.952 -3.013 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.282 -2.230 6.040 1.00 0.00 H new ATOM 970 N LEU A 62 -4.804 -2.838 -1.644 1.00 0.00 N ATOM 971 CA LEU A 62 -3.952 -2.092 -2.556 1.00 0.00 C ATOM 972 C LEU A 62 -3.426 -0.839 -1.869 1.00 0.00 C ATOM 973 O LEU A 62 -4.199 0.041 -1.498 1.00 0.00 O ATOM 974 CB LEU A 62 -4.706 -1.700 -3.837 1.00 0.00 C ATOM 975 CG LEU A 62 -5.159 -2.862 -4.731 1.00 0.00 C ATOM 976 CD1 LEU A 62 -6.421 -3.520 -4.189 1.00 0.00 C ATOM 977 CD2 LEU A 62 -5.381 -2.381 -6.157 1.00 0.00 C ATOM 0 H LEU A 62 -5.677 -2.368 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.118 -2.736 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.585 -1.120 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.066 -1.043 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.366 -3.610 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.715 -4.339 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.228 -3.908 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.224 -2.785 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.702 -3.218 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.149 -1.608 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.451 -1.972 -6.552 1.00 0.00 H new ATOM 989 N VAL A 63 -2.115 -0.767 -1.697 1.00 0.00 N ATOM 990 CA VAL A 63 -1.488 0.387 -1.066 1.00 0.00 C ATOM 991 C VAL A 63 -1.103 1.411 -2.121 1.00 0.00 C ATOM 992 O VAL A 63 -0.201 1.180 -2.929 1.00 0.00 O ATOM 993 CB VAL A 63 -0.230 -0.006 -0.260 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.389 1.215 0.411 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.567 -1.068 0.772 1.00 0.00 C ATOM 0 H VAL A 63 -1.462 -1.495 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.216 0.812 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 63 0.502 -0.419 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.273 0.913 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.673 1.943 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.336 1.664 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.332 -1.332 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.320 -0.682 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.955 -1.954 0.269 1.00 0.00 H new ATOM 1005 N ILE A 64 -1.799 2.535 -2.116 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.578 3.575 -3.106 1.00 0.00 C ATOM 1007 C ILE A 64 -0.976 4.814 -2.448 1.00 0.00 C ATOM 1008 O ILE A 64 -1.642 5.495 -1.667 1.00 0.00 O ATOM 1009 CB ILE A 64 -2.895 3.979 -3.807 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -3.718 2.742 -4.188 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -2.602 4.822 -5.040 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -3.034 1.808 -5.165 1.00 0.00 C ATOM 0 H ILE A 64 -2.526 2.751 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.890 3.172 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.483 4.573 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.957 2.187 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.664 3.069 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.539 5.099 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.066 5.724 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.991 4.248 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.687 0.962 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.820 2.343 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.102 1.446 -4.731 1.00 0.00 H new ATOM 1024 N GLN A 65 0.284 5.089 -2.747 1.00 0.00 N ATOM 1025 CA GLN A 65 0.943 6.282 -2.234 1.00 0.00 C ATOM 1026 C GLN A 65 1.091 7.316 -3.343 1.00 0.00 C ATOM 1027 O GLN A 65 1.976 7.200 -4.197 1.00 0.00 O ATOM 1028 CB GLN A 65 2.317 5.935 -1.664 1.00 0.00 C ATOM 1029 CG GLN A 65 2.993 7.100 -0.964 1.00 0.00 C ATOM 1030 CD GLN A 65 4.428 6.803 -0.580 1.00 0.00 C ATOM 1031 OE1 GLN A 65 5.128 6.060 -1.268 1.00 0.00 O ATOM 1032 NE2 GLN A 65 4.875 7.367 0.529 1.00 0.00 N ATOM 0 H GLN A 65 0.871 4.504 -3.341 1.00 0.00 H new ATOM 0 HA GLN A 65 0.328 6.697 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.212 5.110 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.959 5.585 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.970 7.973 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.428 7.357 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.265 7.977 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.830 7.192 0.841 1.00 0.00 H new ATOM 1041 N SER A 66 0.229 8.322 -3.330 1.00 0.00 N ATOM 1042 CA SER A 66 0.236 9.345 -4.364 1.00 0.00 C ATOM 1043 C SER A 66 -0.351 10.652 -3.841 1.00 0.00 C ATOM 1044 O SER A 66 -0.791 10.728 -2.692 1.00 0.00 O ATOM 1045 CB SER A 66 -0.543 8.855 -5.589 1.00 0.00 C ATOM 1046 OG SER A 66 -1.804 8.326 -5.217 1.00 0.00 O ATOM 0 H SER A 66 -0.485 8.451 -2.613 1.00 0.00 H new ATOM 0 HA SER A 66 1.269 9.536 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.684 9.680 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.035 8.092 -6.109 1.00 0.00 H new ATOM 0 HG SER A 66 -2.281 8.022 -6.018 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.345 11.676 -4.686 1.00 0.00 N ATOM 1053 CA TYR A 67 -0.854 12.987 -4.313 1.00 0.00 C ATOM 1054 C TYR A 67 -1.845 13.477 -5.369 1.00 0.00 C ATOM 1055 O TYR A 67 -1.680 13.189 -6.559 1.00 0.00 O ATOM 1056 CB TYR A 67 0.312 13.974 -4.174 1.00 0.00 C ATOM 1057 CG TYR A 67 0.099 15.063 -3.139 1.00 0.00 C ATOM 1058 CD1 TYR A 67 -0.717 16.156 -3.398 1.00 0.00 C ATOM 1059 CD2 TYR A 67 0.727 14.996 -1.902 1.00 0.00 C ATOM 1060 CE1 TYR A 67 -0.900 17.150 -2.456 1.00 0.00 C ATOM 1061 CE2 TYR A 67 0.551 15.987 -0.955 1.00 0.00 C ATOM 1062 CZ TYR A 67 -0.264 17.063 -1.237 1.00 0.00 C ATOM 1063 OH TYR A 67 -0.439 18.053 -0.297 1.00 0.00 O ATOM 0 H TYR A 67 0.010 11.621 -5.641 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.370 12.917 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.213 13.417 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.492 14.441 -5.142 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.217 16.231 -4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.365 14.154 -1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.540 17.992 -2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.049 15.919 0.001 1.00 0.00 H new ATOM 0 HH TYR A 67 0.079 17.837 0.506 1.00 0.00 H new ATOM 1073 N PHE A 68 -2.865 14.208 -4.921 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.925 14.731 -5.790 1.00 0.00 C ATOM 1075 C PHE A 68 -4.792 13.607 -6.359 1.00 0.00 C ATOM 1076 O PHE A 68 -5.654 13.071 -5.661 1.00 0.00 O ATOM 1077 CB PHE A 68 -3.365 15.593 -6.935 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.737 16.884 -6.488 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -3.504 17.876 -5.899 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -1.382 17.109 -6.671 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -2.930 19.067 -5.497 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -0.802 18.298 -6.271 1.00 0.00 C ATOM 1083 CZ PHE A 68 -1.578 19.279 -5.683 1.00 0.00 C ATOM 0 H PHE A 68 -2.982 14.457 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.548 15.368 -5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.623 15.012 -7.482 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.172 15.817 -7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.562 17.717 -5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.772 16.346 -7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.538 19.832 -5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.256 18.460 -6.418 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.128 20.209 -5.370 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.533 13.240 -7.621 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.357 12.268 -8.348 1.00 0.00 C ATOM 1095 C VAL A 69 -6.828 12.732 -8.358 1.00 0.00 C ATOM 1096 O VAL A 69 -7.120 13.890 -8.049 1.00 0.00 O ATOM 1097 CB VAL A 69 -5.237 10.838 -7.736 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.719 9.768 -8.710 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.805 10.541 -7.314 1.00 0.00 C ATOM 0 H VAL A 69 -3.751 13.607 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.991 12.214 -9.373 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.878 10.815 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.620 8.785 -8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.764 9.948 -8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.117 9.805 -9.618 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.751 9.538 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.149 10.604 -8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.488 11.268 -6.566 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.730 11.855 -8.774 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.162 12.088 -8.665 1.00 0.00 C ATOM 1111 C GLN A 70 -9.906 10.806 -9.000 1.00 0.00 C ATOM 1112 O GLN A 70 -10.442 10.147 -8.121 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.644 13.208 -9.589 1.00 0.00 C ATOM 1114 CG GLN A 70 -11.117 13.533 -9.404 1.00 0.00 C ATOM 1115 CD GLN A 70 -11.698 14.346 -10.544 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -12.886 14.234 -10.849 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -10.874 15.163 -11.179 1.00 0.00 N ATOM 0 H GLN A 70 -7.488 10.959 -9.198 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.367 12.398 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.053 14.105 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.468 12.919 -10.625 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.678 12.603 -9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.247 14.083 -8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.897 15.225 -10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.216 15.731 -11.954 1.00 0.00 H new ATOM 1126 N THR A 71 -9.905 10.446 -10.276 1.00 0.00 N ATOM 1127 CA THR A 71 -10.613 9.264 -10.734 1.00 0.00 C ATOM 1128 C THR A 71 -9.643 8.160 -11.147 1.00 0.00 C ATOM 1129 O THR A 71 -9.036 8.213 -12.217 1.00 0.00 O ATOM 1130 CB THR A 71 -11.553 9.607 -11.906 1.00 0.00 C ATOM 1131 OG1 THR A 71 -10.908 10.532 -12.796 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.856 10.209 -11.398 1.00 0.00 C ATOM 0 H THR A 71 -9.420 10.959 -11.012 1.00 0.00 H new ATOM 0 HA THR A 71 -11.211 8.898 -9.899 1.00 0.00 H new ATOM 0 HB THR A 71 -11.782 8.686 -12.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.559 10.867 -13.447 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.503 10.443 -12.244 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.357 9.494 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.643 11.122 -10.841 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.491 7.169 -10.283 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.611 6.046 -10.550 1.00 0.00 C ATOM 1142 C LEU A 72 -9.417 4.759 -10.692 1.00 0.00 C ATOM 1143 O LEU A 72 -9.982 4.256 -9.719 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.573 5.912 -9.423 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.774 4.605 -9.411 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -6.003 4.433 -10.709 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.829 4.573 -8.218 1.00 0.00 C ATOM 0 H LEU A 72 -9.971 7.121 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.087 6.225 -11.489 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.873 6.744 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.086 6.012 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.474 3.775 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.443 3.498 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.701 4.411 -11.546 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.312 5.266 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.268 3.638 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.136 5.412 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.405 4.646 -7.295 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.488 4.237 -11.910 1.00 0.00 N ATOM 1160 CA LYS A 73 -10.166 2.973 -12.140 1.00 0.00 C ATOM 1161 C LYS A 73 -9.144 1.856 -12.292 1.00 0.00 C ATOM 1162 O LYS A 73 -8.067 2.054 -12.857 1.00 0.00 O ATOM 1163 CB LYS A 73 -11.093 3.025 -13.365 1.00 0.00 C ATOM 1164 CG LYS A 73 -10.395 3.255 -14.696 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.275 2.798 -15.850 1.00 0.00 C ATOM 1166 CE LYS A 73 -10.661 3.120 -17.201 1.00 0.00 C ATOM 1167 NZ LYS A 73 -11.333 2.380 -18.302 1.00 0.00 N ATOM 0 H LYS A 73 -9.088 4.666 -12.745 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.795 2.773 -11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.648 2.088 -13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.824 3.820 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.157 4.313 -14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.450 2.712 -14.715 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.441 1.723 -15.775 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.251 3.277 -15.773 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.732 4.192 -17.387 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.601 2.868 -17.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.434 3.004 -19.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.762 1.551 -18.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.273 2.067 -17.987 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.478 0.692 -11.763 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.574 -0.444 -11.762 1.00 0.00 C ATOM 1183 C ILE A 74 -9.110 -1.565 -12.646 1.00 0.00 C ATOM 1184 O ILE A 74 -10.202 -2.083 -12.411 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.378 -0.970 -10.328 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.936 0.174 -9.412 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -7.357 -2.099 -10.306 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -8.102 -0.126 -7.941 1.00 0.00 C ATOM 0 H ILE A 74 -10.380 0.508 -11.324 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.615 -0.111 -12.159 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.327 -1.366 -9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.889 0.403 -9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.510 1.067 -9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.232 -2.457 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.705 -2.917 -10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.401 -1.733 -10.681 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.768 0.730 -7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.152 -0.325 -7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.506 -1.000 -7.678 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.342 -1.922 -13.659 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.706 -2.997 -14.566 1.00 0.00 C ATOM 1202 C GLU A 75 -7.860 -4.237 -14.292 1.00 0.00 C ATOM 1203 O GLU A 75 -6.640 -4.155 -14.146 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.556 -2.533 -16.018 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.766 -1.760 -16.531 1.00 0.00 C ATOM 1206 CD GLU A 75 -9.475 -0.925 -17.763 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -8.400 -1.097 -18.373 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -10.328 -0.073 -18.115 1.00 0.00 O ATOM 0 H GLU A 75 -7.450 -1.477 -13.877 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.750 -3.263 -14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.670 -1.904 -16.102 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.392 -3.402 -16.655 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.566 -2.464 -16.760 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.133 -1.108 -15.738 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.522 -5.380 -14.205 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.870 -6.633 -13.852 1.00 0.00 C ATOM 1217 C LYS A 76 -7.906 -7.621 -15.015 1.00 0.00 C ATOM 1218 O LYS A 76 -8.880 -7.677 -15.770 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.563 -7.256 -12.632 1.00 0.00 C ATOM 1220 CG LYS A 76 -10.042 -7.531 -12.863 1.00 0.00 C ATOM 1221 CD LYS A 76 -10.711 -8.208 -11.675 1.00 0.00 C ATOM 1222 CE LYS A 76 -10.134 -9.590 -11.403 1.00 0.00 C ATOM 1223 NZ LYS A 76 -11.165 -10.515 -10.864 1.00 0.00 N ATOM 0 H LYS A 76 -9.524 -5.466 -14.376 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.828 -6.416 -13.615 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.062 -8.189 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.453 -6.588 -11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.552 -6.591 -13.074 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.156 -8.161 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.591 -7.585 -10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.781 -8.293 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.721 -10.001 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.311 -9.508 -10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.738 -11.447 -10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.541 -10.134 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.939 -10.612 -11.552 1.00 0.00 H new ATOM 1237 N SER A 77 -6.838 -8.386 -15.157 1.00 0.00 N ATOM 1238 CA SER A 77 -6.808 -9.489 -16.100 1.00 0.00 C ATOM 1239 C SER A 77 -6.018 -10.636 -15.487 1.00 0.00 C ATOM 1240 O SER A 77 -5.028 -10.411 -14.788 1.00 0.00 O ATOM 1241 CB SER A 77 -6.186 -9.057 -17.434 1.00 0.00 C ATOM 1242 OG SER A 77 -6.404 -10.029 -18.446 1.00 0.00 O ATOM 0 H SER A 77 -5.975 -8.262 -14.627 1.00 0.00 H new ATOM 0 HA SER A 77 -7.828 -9.814 -16.306 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.614 -8.104 -17.745 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.115 -8.899 -17.304 1.00 0.00 H new ATOM 0 HG SER A 77 -7.143 -9.742 -19.022 1.00 0.00 H new ATOM 1248 N THR A 78 -6.464 -11.857 -15.717 1.00 0.00 N ATOM 1249 CA THR A 78 -5.793 -13.018 -15.155 1.00 0.00 C ATOM 1250 C THR A 78 -5.046 -13.800 -16.226 1.00 0.00 C ATOM 1251 O THR A 78 -4.573 -14.909 -15.984 1.00 0.00 O ATOM 1252 CB THR A 78 -6.778 -13.953 -14.433 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.933 -14.198 -15.252 1.00 0.00 O ATOM 1254 CG2 THR A 78 -7.213 -13.360 -13.102 1.00 0.00 C ATOM 0 H THR A 78 -7.283 -12.072 -16.286 1.00 0.00 H new ATOM 0 HA THR A 78 -5.076 -12.639 -14.427 1.00 0.00 H new ATOM 0 HB THR A 78 -6.265 -14.897 -14.246 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.549 -14.796 -14.779 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.909 -14.040 -12.611 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.340 -13.213 -12.466 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.702 -12.401 -13.273 1.00 0.00 H new ATOM 1262 N SER A 79 -4.922 -13.206 -17.397 1.00 0.00 N ATOM 1263 CA SER A 79 -4.226 -13.844 -18.495 1.00 0.00 C ATOM 1264 C SER A 79 -2.734 -13.540 -18.406 1.00 0.00 C ATOM 1265 O SER A 79 -2.293 -12.830 -17.502 1.00 0.00 O ATOM 1266 CB SER A 79 -4.804 -13.364 -19.830 1.00 0.00 C ATOM 1267 OG SER A 79 -4.676 -11.960 -19.971 1.00 0.00 O ATOM 0 H SER A 79 -5.295 -12.281 -17.612 1.00 0.00 H new ATOM 0 HA SER A 79 -4.362 -14.924 -18.433 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.290 -13.863 -20.652 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.855 -13.644 -19.895 1.00 0.00 H new ATOM 0 HG SER A 79 -5.360 -11.513 -19.429 1.00 0.00 H new ATOM 1273 N LYS A 80 -1.962 -14.082 -19.333 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.531 -13.815 -19.380 1.00 0.00 C ATOM 1275 C LYS A 80 -0.265 -12.728 -20.414 1.00 0.00 C ATOM 1276 O LYS A 80 0.877 -12.394 -20.729 1.00 0.00 O ATOM 1277 CB LYS A 80 0.222 -15.108 -19.724 1.00 0.00 C ATOM 1278 CG LYS A 80 1.737 -15.018 -19.597 1.00 0.00 C ATOM 1279 CD LYS A 80 2.380 -16.385 -19.781 1.00 0.00 C ATOM 1280 CE LYS A 80 3.898 -16.317 -19.719 1.00 0.00 C ATOM 1281 NZ LYS A 80 4.477 -15.594 -20.882 1.00 0.00 N ATOM 0 H LYS A 80 -2.300 -14.709 -20.063 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.177 -13.467 -18.410 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.136 -15.905 -19.072 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.026 -15.396 -20.746 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.128 -14.325 -20.342 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.001 -14.616 -18.619 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.016 -17.063 -19.009 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.075 -16.802 -20.741 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.200 -15.820 -18.797 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.304 -17.328 -19.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.513 -15.689 -20.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.103 -15.999 -21.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.221 -14.587 -20.828 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.347 -12.167 -20.920 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.294 -11.203 -22.000 1.00 0.00 C ATOM 1297 C GLU A 81 -1.879 -9.868 -21.554 1.00 0.00 C ATOM 1298 O GLU A 81 -2.681 -9.817 -20.623 1.00 0.00 O ATOM 1299 CB GLU A 81 -2.075 -11.761 -23.186 1.00 0.00 C ATOM 1300 CG GLU A 81 -1.657 -13.174 -23.547 1.00 0.00 C ATOM 1301 CD GLU A 81 -2.611 -13.838 -24.508 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -3.659 -14.343 -24.055 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -2.313 -13.868 -25.716 1.00 0.00 O ATOM 0 H GLU A 81 -2.291 -12.369 -20.591 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.258 -11.030 -22.290 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.140 -11.749 -22.953 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.931 -11.112 -24.049 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.661 -13.152 -23.988 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.590 -13.772 -22.638 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.492 -8.766 -22.210 1.00 0.00 N ATOM 1311 CA PRO A 82 -2.022 -7.438 -21.903 1.00 0.00 C ATOM 1312 C PRO A 82 -3.363 -7.178 -22.591 1.00 0.00 C ATOM 1313 O PRO A 82 -3.610 -6.085 -23.101 1.00 0.00 O ATOM 1314 CB PRO A 82 -0.940 -6.516 -22.463 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.389 -7.255 -23.633 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.495 -8.722 -23.298 1.00 0.00 C ATOM 0 HA PRO A 82 -2.223 -7.299 -20.841 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.355 -5.553 -22.761 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.167 -6.314 -21.721 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.949 -7.022 -24.539 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.647 -6.973 -23.818 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.818 -9.306 -24.160 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.464 -9.129 -22.978 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.243 -8.175 -22.574 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.513 -8.077 -23.282 1.00 0.00 C ATOM 1326 C VAL A 83 -6.697 -8.362 -22.361 1.00 0.00 C ATOM 1327 O VAL A 83 -6.588 -9.145 -21.416 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.570 -9.033 -24.496 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.519 -8.655 -25.528 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.394 -10.480 -24.059 1.00 0.00 C ATOM 0 H VAL A 83 -4.100 -9.056 -22.080 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.583 -7.050 -23.640 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.554 -8.935 -24.955 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.576 -9.340 -26.374 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.698 -7.637 -25.873 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.528 -8.717 -25.078 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.438 -11.132 -24.932 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.428 -10.597 -23.567 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.190 -10.750 -23.364 1.00 0.00 H new ATOM 1340 N ASP A 84 -7.815 -7.697 -22.658 1.00 0.00 N ATOM 1341 CA ASP A 84 -9.083 -7.869 -21.941 1.00 0.00 C ATOM 1342 C ASP A 84 -8.944 -7.567 -20.453 1.00 0.00 C ATOM 1343 O ASP A 84 -8.589 -8.434 -19.650 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.656 -9.277 -22.140 1.00 0.00 C ATOM 1345 CG ASP A 84 -11.070 -9.402 -21.599 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -11.999 -8.840 -22.220 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -11.263 -10.065 -20.560 1.00 0.00 O ATOM 0 H ASP A 84 -7.867 -7.014 -23.414 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.779 -7.147 -22.369 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.652 -9.522 -23.202 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.013 -10.003 -21.643 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.222 -6.327 -20.090 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.161 -5.907 -18.706 1.00 0.00 C ATOM 1354 C PHE A 85 -10.551 -5.549 -18.202 1.00 0.00 C ATOM 1355 O PHE A 85 -11.228 -4.688 -18.766 1.00 0.00 O ATOM 1356 CB PHE A 85 -8.212 -4.720 -18.545 1.00 0.00 C ATOM 1357 CG PHE A 85 -6.763 -5.082 -18.686 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -6.141 -5.045 -19.922 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -6.024 -5.457 -17.577 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -4.807 -5.377 -20.049 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -4.688 -5.790 -17.697 1.00 0.00 C ATOM 1362 CZ PHE A 85 -4.079 -5.750 -18.935 1.00 0.00 C ATOM 0 H PHE A 85 -9.494 -5.591 -20.742 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.777 -6.735 -18.110 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.462 -3.963 -19.288 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.371 -4.269 -17.565 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.705 -4.753 -20.796 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.497 -5.490 -16.607 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.332 -5.345 -21.019 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.122 -6.081 -16.824 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.035 -6.010 -19.033 1.00 0.00 H new ATOM 1372 N GLU A 86 -10.971 -6.228 -17.150 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.283 -6.014 -16.567 1.00 0.00 C ATOM 1374 C GLU A 86 -12.177 -5.001 -15.437 1.00 0.00 C ATOM 1375 O GLU A 86 -11.273 -5.095 -14.608 1.00 0.00 O ATOM 1376 CB GLU A 86 -12.828 -7.343 -16.043 1.00 0.00 C ATOM 1377 CG GLU A 86 -14.258 -7.280 -15.540 1.00 0.00 C ATOM 1378 CD GLU A 86 -14.758 -8.631 -15.077 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -14.859 -9.549 -15.917 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -15.040 -8.785 -13.869 1.00 0.00 O ATOM 0 H GLU A 86 -10.415 -6.941 -16.677 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.965 -5.626 -17.323 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.768 -8.085 -16.839 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.186 -7.691 -15.234 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.321 -6.569 -14.716 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.905 -6.907 -16.334 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.083 -4.032 -15.400 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.033 -3.004 -14.375 1.00 0.00 C ATOM 1389 C GLN A 87 -13.360 -3.606 -13.013 1.00 0.00 C ATOM 1390 O GLN A 87 -14.510 -3.948 -12.721 1.00 0.00 O ATOM 1391 CB GLN A 87 -13.980 -1.848 -14.702 1.00 0.00 C ATOM 1392 CG GLN A 87 -13.918 -0.720 -13.686 1.00 0.00 C ATOM 1393 CD GLN A 87 -14.720 0.497 -14.104 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -15.720 0.389 -14.813 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -14.285 1.660 -13.657 1.00 0.00 N ATOM 0 H GLN A 87 -13.853 -3.939 -16.062 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.021 -2.600 -14.345 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.735 -1.454 -15.688 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.001 -2.226 -14.754 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.289 -1.081 -12.727 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.878 -0.429 -13.537 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.451 1.702 -13.072 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.783 2.517 -13.897 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.328 -3.743 -12.200 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.440 -4.347 -10.886 1.00 0.00 C ATOM 1406 C TRP A 88 -13.092 -3.370 -9.914 1.00 0.00 C ATOM 1407 O TRP A 88 -14.220 -3.581 -9.470 1.00 0.00 O ATOM 1408 CB TRP A 88 -11.044 -4.750 -10.401 1.00 0.00 C ATOM 1409 CG TRP A 88 -11.022 -5.526 -9.116 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -12.072 -6.149 -8.505 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.877 -5.770 -8.293 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -11.648 -6.761 -7.351 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -10.307 -6.542 -7.198 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.529 -5.407 -8.372 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -9.437 -6.962 -6.196 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.667 -5.825 -7.376 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -8.125 -6.594 -6.301 1.00 0.00 C ATOM 0 H TRP A 88 -11.384 -3.436 -12.435 1.00 0.00 H new ATOM 0 HA TRP A 88 -13.068 -5.236 -10.940 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.564 -5.346 -11.177 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.445 -3.848 -10.275 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -13.087 -6.159 -8.875 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.238 -7.293 -6.711 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.168 -4.811 -9.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.786 -7.557 -5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.623 -5.554 -7.428 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.427 -6.904 -5.537 1.00 0.00 H new ATOM 1428 N ILE A 89 -12.379 -2.298 -9.607 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.874 -1.274 -8.701 1.00 0.00 C ATOM 1430 C ILE A 89 -12.481 0.112 -9.187 1.00 0.00 C ATOM 1431 O ILE A 89 -11.408 0.298 -9.760 1.00 0.00 O ATOM 1432 CB ILE A 89 -12.364 -1.484 -7.255 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.882 -1.872 -7.261 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -13.198 -2.538 -6.540 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -10.295 -2.077 -5.882 1.00 0.00 C ATOM 0 H ILE A 89 -11.446 -2.114 -9.976 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.961 -1.358 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.468 -0.545 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.759 -2.789 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.315 -1.095 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.824 -2.671 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.239 -2.216 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.130 -3.483 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.243 -2.349 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.384 -1.155 -5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.834 -2.875 -5.372 1.00 0.00 H new ATOM 1447 N GLU A 90 -13.368 1.073 -8.990 1.00 0.00 N ATOM 1448 CA GLU A 90 -13.101 2.448 -9.376 1.00 0.00 C ATOM 1449 C GLU A 90 -13.116 3.332 -8.137 1.00 0.00 C ATOM 1450 O GLU A 90 -14.159 3.529 -7.511 1.00 0.00 O ATOM 1451 CB GLU A 90 -14.140 2.923 -10.394 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.855 4.299 -10.974 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.870 4.702 -12.023 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -14.677 4.359 -13.206 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -15.876 5.351 -11.664 1.00 0.00 O ATOM 0 H GLU A 90 -14.283 0.925 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.118 2.510 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.192 2.201 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.120 2.937 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.854 5.036 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.858 4.306 -11.415 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.956 3.850 -7.774 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.822 4.617 -6.550 1.00 0.00 C ATOM 1464 C LYS A 91 -11.492 6.070 -6.844 1.00 0.00 C ATOM 1465 O LYS A 91 -10.481 6.374 -7.480 1.00 0.00 O ATOM 1466 CB LYS A 91 -10.742 4.003 -5.653 1.00 0.00 C ATOM 1467 CG LYS A 91 -11.222 2.808 -4.844 1.00 0.00 C ATOM 1468 CD LYS A 91 -12.133 3.247 -3.708 1.00 0.00 C ATOM 1469 CE LYS A 91 -12.685 2.067 -2.925 1.00 0.00 C ATOM 1470 NZ LYS A 91 -13.683 1.290 -3.708 1.00 0.00 N ATOM 0 H LYS A 91 -11.094 3.753 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.779 4.586 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.900 3.696 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.373 4.768 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.755 2.115 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.364 2.270 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.580 3.901 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.960 3.831 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.865 1.411 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.148 2.427 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.106 0.558 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.428 1.929 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.213 0.839 -4.519 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.358 6.965 -6.396 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.088 8.386 -6.508 1.00 0.00 C ATOM 1486 C ASP A 92 -11.530 8.896 -5.186 1.00 0.00 C ATOM 1487 O ASP A 92 -12.044 8.578 -4.108 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.344 9.168 -6.925 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.358 9.331 -5.814 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -14.993 8.326 -5.425 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.546 10.476 -5.343 1.00 0.00 O ATOM 0 H ASP A 92 -13.248 6.733 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.347 8.544 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.045 10.155 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.817 8.657 -7.764 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.455 9.655 -5.270 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.733 10.081 -4.085 1.00 0.00 C ATOM 1498 C LEU A 93 -10.174 11.465 -3.640 1.00 0.00 C ATOM 1499 O LEU A 93 -10.513 12.317 -4.461 1.00 0.00 O ATOM 1500 CB LEU A 93 -8.218 10.080 -4.334 1.00 0.00 C ATOM 1501 CG LEU A 93 -7.560 8.700 -4.486 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -7.902 8.066 -5.828 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -6.053 8.814 -4.323 1.00 0.00 C ATOM 0 H LEU A 93 -10.061 9.991 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.963 9.368 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.018 10.657 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.734 10.602 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.953 8.053 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.421 7.091 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.982 7.945 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.548 8.708 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.600 7.829 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.654 9.484 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.823 9.211 -3.334 1.00 0.00 H new ATOM 1515 N VAL A 94 -10.191 11.667 -2.334 1.00 0.00 N ATOM 1516 CA VAL A 94 -10.412 12.981 -1.760 1.00 0.00 C ATOM 1517 C VAL A 94 -9.064 13.639 -1.509 1.00 0.00 C ATOM 1518 O VAL A 94 -8.221 13.078 -0.807 1.00 0.00 O ATOM 1519 CB VAL A 94 -11.201 12.899 -0.434 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -11.383 14.280 0.177 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -12.550 12.230 -0.654 1.00 0.00 C ATOM 0 H VAL A 94 -10.053 10.928 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.003 13.570 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.625 12.293 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.941 14.195 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.406 14.721 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.932 14.916 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.091 12.182 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.129 12.808 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.398 11.221 -1.037 1.00 0.00 H new ATOM 1531 N HIS A 95 -8.850 14.810 -2.098 1.00 0.00 N ATOM 1532 CA HIS A 95 -7.560 15.480 -1.984 1.00 0.00 C ATOM 1533 C HIS A 95 -7.270 15.834 -0.529 1.00 0.00 C ATOM 1534 O HIS A 95 -8.168 16.239 0.216 1.00 0.00 O ATOM 1535 CB HIS A 95 -7.494 16.741 -2.878 1.00 0.00 C ATOM 1536 CG HIS A 95 -7.953 18.025 -2.228 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -9.183 18.600 -2.468 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -7.322 18.853 -1.355 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -9.288 19.720 -1.773 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -8.174 19.894 -1.090 1.00 0.00 N ATOM 0 H HIS A 95 -9.544 15.310 -2.653 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.793 14.789 -2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.466 16.872 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -8.101 16.567 -3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.332 18.716 -0.945 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.142 20.381 -1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -7.978 20.676 -0.466 1.00 0.00 H new ATOM 1548 N THR A 96 -6.028 15.660 -0.128 1.00 0.00 N ATOM 1549 CA THR A 96 -5.584 16.111 1.174 1.00 0.00 C ATOM 1550 C THR A 96 -4.499 17.158 1.017 1.00 0.00 C ATOM 1551 O THR A 96 -3.395 16.869 0.551 1.00 0.00 O ATOM 1552 CB THR A 96 -5.079 14.954 2.044 1.00 0.00 C ATOM 1553 OG1 THR A 96 -4.347 14.010 1.246 1.00 0.00 O ATOM 1554 CG2 THR A 96 -6.241 14.264 2.736 1.00 0.00 C ATOM 0 H THR A 96 -5.305 15.207 -0.688 1.00 0.00 H new ATOM 0 HA THR A 96 -6.444 16.548 1.681 1.00 0.00 H new ATOM 0 HB THR A 96 -4.412 15.361 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.386 14.132 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.865 13.445 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.765 14.980 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.928 13.870 1.987 1.00 0.00 H new ATOM 1562 N GLU A 97 -4.825 18.374 1.399 1.00 0.00 N ATOM 1563 CA GLU A 97 -3.946 19.507 1.176 1.00 0.00 C ATOM 1564 C GLU A 97 -2.899 19.610 2.277 1.00 0.00 C ATOM 1565 O GLU A 97 -3.186 20.025 3.400 1.00 0.00 O ATOM 1566 CB GLU A 97 -4.769 20.794 1.056 1.00 0.00 C ATOM 1567 CG GLU A 97 -5.892 20.897 2.074 1.00 0.00 C ATOM 1568 CD GLU A 97 -6.884 21.989 1.740 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -7.675 21.805 0.788 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -6.891 23.025 2.438 1.00 0.00 O ATOM 0 H GLU A 97 -5.700 18.607 1.870 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.411 19.358 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.106 21.651 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.193 20.852 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.414 19.942 2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.467 21.087 3.060 1.00 0.00 H new ATOM 1577 N GLY A 98 -1.687 19.192 1.947 1.00 0.00 N ATOM 1578 CA GLY A 98 -0.602 19.225 2.903 1.00 0.00 C ATOM 1579 C GLY A 98 -0.328 17.863 3.504 1.00 0.00 C ATOM 1580 O GLY A 98 0.587 17.704 4.310 1.00 0.00 O ATOM 0 H GLY A 98 -1.435 18.828 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.300 19.592 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.843 19.930 3.699 1.00 0.00 H new ATOM 1584 N GLN A 99 -1.117 16.872 3.106 1.00 0.00 N ATOM 1585 CA GLN A 99 -0.971 15.528 3.649 1.00 0.00 C ATOM 1586 C GLN A 99 -0.710 14.515 2.544 1.00 0.00 C ATOM 1587 O GLN A 99 -1.538 14.328 1.649 1.00 0.00 O ATOM 1588 CB GLN A 99 -2.219 15.111 4.430 1.00 0.00 C ATOM 1589 CG GLN A 99 -2.564 16.033 5.588 1.00 0.00 C ATOM 1590 CD GLN A 99 -3.691 15.490 6.445 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -3.763 15.760 7.643 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -4.578 14.714 5.840 1.00 0.00 N ATOM 0 H GLN A 99 -1.859 16.973 2.414 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.116 15.546 4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.067 15.072 3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.073 14.102 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.679 16.180 6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.847 17.011 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.485 14.513 4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.354 14.318 6.370 1.00 0.00 H new ATOM 1601 N LEU A 100 0.443 13.867 2.614 1.00 0.00 N ATOM 1602 CA LEU A 100 0.768 12.778 1.707 1.00 0.00 C ATOM 1603 C LEU A 100 0.266 11.477 2.320 1.00 0.00 C ATOM 1604 O LEU A 100 0.714 11.079 3.395 1.00 0.00 O ATOM 1605 CB LEU A 100 2.290 12.735 1.462 1.00 0.00 C ATOM 1606 CG LEU A 100 2.797 11.764 0.379 1.00 0.00 C ATOM 1607 CD1 LEU A 100 2.816 10.328 0.880 1.00 0.00 C ATOM 1608 CD2 LEU A 100 1.955 11.874 -0.882 1.00 0.00 C ATOM 0 H LEU A 100 1.173 14.079 3.294 1.00 0.00 H new ATOM 0 HA LEU A 100 0.285 12.926 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.619 13.740 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.777 12.478 2.402 1.00 0.00 H new ATOM 0 HG LEU A 100 3.822 12.048 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.179 9.672 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.475 10.253 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.807 10.029 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.332 11.179 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.918 11.630 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.011 12.891 -1.269 1.00 0.00 H new ATOM 1620 N GLN A 101 -0.676 10.830 1.654 1.00 0.00 N ATOM 1621 CA GLN A 101 -1.307 9.649 2.217 1.00 0.00 C ATOM 1622 C GLN A 101 -0.857 8.374 1.524 1.00 0.00 C ATOM 1623 O GLN A 101 -0.673 8.335 0.307 1.00 0.00 O ATOM 1624 CB GLN A 101 -2.830 9.739 2.118 1.00 0.00 C ATOM 1625 CG GLN A 101 -3.441 10.911 2.859 1.00 0.00 C ATOM 1626 CD GLN A 101 -4.943 10.761 2.998 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -5.432 10.210 3.981 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -5.684 11.233 2.010 1.00 0.00 N ATOM 0 H GLN A 101 -1.018 11.099 0.732 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.001 9.611 3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.110 9.805 1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -3.262 8.816 2.505 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -2.990 10.992 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -3.215 11.836 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -5.240 11.684 1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.700 11.146 2.048 1.00 0.00 H new ATOM 1637 N ASN A 102 -0.675 7.337 2.324 1.00 0.00 N ATOM 1638 CA ASN A 102 -0.547 5.988 1.811 1.00 0.00 C ATOM 1639 C ASN A 102 -1.878 5.289 2.041 1.00 0.00 C ATOM 1640 O ASN A 102 -2.194 4.901 3.167 1.00 0.00 O ATOM 1641 CB ASN A 102 0.586 5.218 2.507 1.00 0.00 C ATOM 1642 CG ASN A 102 1.966 5.804 2.248 1.00 0.00 C ATOM 1643 OD1 ASN A 102 2.139 7.016 2.129 1.00 0.00 O ATOM 1644 ND2 ASN A 102 2.962 4.938 2.151 1.00 0.00 N ATOM 0 H ASN A 102 -0.612 7.407 3.340 1.00 0.00 H new ATOM 0 HA ASN A 102 -0.297 6.021 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 102 0.401 5.207 3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.571 4.182 2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.910 5.269 1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.782 3.940 2.255 1.00 0.00 H new ATOM 1651 N GLU A 103 -2.675 5.165 0.995 1.00 0.00 N ATOM 1652 CA GLU A 103 -4.044 4.697 1.149 1.00 0.00 C ATOM 1653 C GLU A 103 -4.133 3.186 0.978 1.00 0.00 C ATOM 1654 O GLU A 103 -3.430 2.598 0.157 1.00 0.00 O ATOM 1655 CB GLU A 103 -4.968 5.402 0.148 1.00 0.00 C ATOM 1656 CG GLU A 103 -6.440 5.039 0.310 1.00 0.00 C ATOM 1657 CD GLU A 103 -6.988 5.399 1.678 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -6.569 4.775 2.678 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -7.851 6.298 1.759 1.00 0.00 O ATOM 0 H GLU A 103 -2.402 5.380 0.036 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.369 4.942 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.855 6.480 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.651 5.152 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.022 5.552 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.566 3.969 0.143 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.001 2.575 1.770 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.216 1.141 1.726 1.00 0.00 C ATOM 1668 C GLU A 104 -6.589 0.828 1.138 1.00 0.00 C ATOM 1669 O GLU A 104 -7.626 1.076 1.758 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.074 0.538 3.126 1.00 0.00 C ATOM 1671 CG GLU A 104 -5.850 1.289 4.194 1.00 0.00 C ATOM 1672 CD GLU A 104 -5.760 0.636 5.554 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -4.785 0.905 6.287 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -6.671 -0.143 5.904 1.00 0.00 O ATOM 0 H GLU A 104 -5.574 3.061 2.460 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.459 0.693 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.414 -0.497 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.019 0.521 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.472 2.309 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.897 1.355 3.897 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.585 0.308 -0.071 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.812 -0.041 -0.762 1.00 0.00 C ATOM 1683 C ILE A 105 -8.176 -1.491 -0.476 1.00 0.00 C ATOM 1684 O ILE A 105 -7.460 -2.407 -0.875 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.673 0.174 -2.286 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.398 1.650 -2.591 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.921 -0.300 -3.018 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.220 1.948 -4.064 1.00 0.00 C ATOM 0 H ILE A 105 -5.736 0.115 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.605 0.611 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.829 -0.419 -2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.222 2.250 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.500 1.960 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.798 -0.138 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -9.074 -1.362 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.786 0.260 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.029 3.013 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.377 1.376 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.126 1.670 -4.603 1.00 0.00 H new ATOM 1700 N VAL A 106 -9.274 -1.697 0.237 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.712 -3.043 0.580 1.00 0.00 C ATOM 1702 C VAL A 106 -10.439 -3.702 -0.590 1.00 0.00 C ATOM 1703 O VAL A 106 -11.570 -3.345 -0.925 1.00 0.00 O ATOM 1704 CB VAL A 106 -10.609 -3.055 1.841 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -9.771 -2.832 3.088 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -11.705 -2.001 1.750 1.00 0.00 C ATOM 0 H VAL A 106 -9.876 -0.953 0.588 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.814 -3.620 0.802 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.085 -4.034 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.416 -2.843 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.028 -3.625 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.267 -1.868 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.318 -2.035 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.253 -1.014 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.329 -2.199 0.879 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.756 -4.637 -1.234 1.00 0.00 N ATOM 1717 CA ALA A 107 -10.321 -5.380 -2.345 1.00 0.00 C ATOM 1718 C ALA A 107 -9.590 -6.700 -2.509 1.00 0.00 C ATOM 1719 O ALA A 107 -8.380 -6.718 -2.728 1.00 0.00 O ATOM 1720 CB ALA A 107 -10.238 -4.572 -3.624 1.00 0.00 C ATOM 0 H ALA A 107 -8.798 -4.899 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.372 -5.579 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.667 -5.146 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.793 -3.642 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.195 -4.346 -3.845 1.00 0.00 H new ATOM 1726 N HIS A 108 -10.319 -7.797 -2.410 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.708 -9.113 -2.498 1.00 0.00 C ATOM 1728 C HIS A 108 -10.058 -9.782 -3.816 1.00 0.00 C ATOM 1729 O HIS A 108 -11.229 -9.967 -4.150 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.103 -10.000 -1.309 1.00 0.00 C ATOM 1731 CG HIS A 108 -11.576 -10.183 -1.121 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -12.269 -11.267 -1.605 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -12.483 -9.416 -0.478 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -13.539 -11.157 -1.271 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -13.698 -10.042 -0.584 1.00 0.00 N ATOM 0 H HIS A 108 -11.329 -7.805 -2.269 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.627 -8.979 -2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -9.643 -10.980 -1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -9.686 -9.569 -0.399 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -12.287 -8.482 0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -14.319 -11.862 -1.518 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -14.578 -9.702 -0.196 1.00 0.00 H new ATOM 1743 N GLY A 109 -9.031 -10.127 -4.565 1.00 0.00 N ATOM 1744 CA GLY A 109 -9.220 -10.740 -5.858 1.00 0.00 C ATOM 1745 C GLY A 109 -7.934 -11.329 -6.389 1.00 0.00 C ATOM 1746 O GLY A 109 -6.921 -11.361 -5.690 1.00 0.00 O ATOM 0 H GLY A 109 -8.056 -9.992 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.975 -11.522 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.598 -9.998 -6.561 1.00 0.00 H new ATOM 1750 N SER A 110 -7.975 -11.805 -7.616 1.00 0.00 N ATOM 1751 CA SER A 110 -6.796 -12.343 -8.262 1.00 0.00 C ATOM 1752 C SER A 110 -6.581 -11.651 -9.600 1.00 0.00 C ATOM 1753 O SER A 110 -7.507 -11.535 -10.404 1.00 0.00 O ATOM 1754 CB SER A 110 -6.950 -13.851 -8.459 1.00 0.00 C ATOM 1755 OG SER A 110 -7.297 -14.482 -7.239 1.00 0.00 O ATOM 0 H SER A 110 -8.818 -11.830 -8.189 1.00 0.00 H new ATOM 0 HA SER A 110 -5.926 -12.163 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.717 -14.049 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.018 -14.270 -8.839 1.00 0.00 H new ATOM 0 HG SER A 110 -7.393 -15.446 -7.385 1.00 0.00 H new ATOM 1761 N ALA A 111 -5.370 -11.168 -9.821 1.00 0.00 N ATOM 1762 CA ALA A 111 -5.032 -10.506 -11.066 1.00 0.00 C ATOM 1763 C ALA A 111 -3.579 -10.759 -11.415 1.00 0.00 C ATOM 1764 O ALA A 111 -2.684 -10.454 -10.631 1.00 0.00 O ATOM 1765 CB ALA A 111 -5.305 -9.013 -10.973 1.00 0.00 C ATOM 0 H ALA A 111 -4.603 -11.223 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.659 -10.917 -11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.044 -8.536 -11.918 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.362 -8.849 -10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.705 -8.583 -10.172 1.00 0.00 H new ATOM 1771 N THR A 112 -3.356 -11.349 -12.575 1.00 0.00 N ATOM 1772 CA THR A 112 -2.015 -11.589 -13.066 1.00 0.00 C ATOM 1773 C THR A 112 -1.448 -10.287 -13.631 1.00 0.00 C ATOM 1774 O THR A 112 -0.241 -10.024 -13.573 1.00 0.00 O ATOM 1775 CB THR A 112 -2.041 -12.672 -14.159 1.00 0.00 C ATOM 1776 OG1 THR A 112 -3.077 -13.621 -13.865 1.00 0.00 O ATOM 1777 CG2 THR A 112 -0.716 -13.406 -14.243 1.00 0.00 C ATOM 0 H THR A 112 -4.095 -11.673 -13.199 1.00 0.00 H new ATOM 0 HA THR A 112 -1.383 -11.936 -12.248 1.00 0.00 H new ATOM 0 HB THR A 112 -2.228 -12.182 -15.114 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.824 -14.500 -14.216 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.769 -14.164 -15.025 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.078 -12.697 -14.478 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.504 -13.885 -13.287 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.354 -9.478 -14.172 1.00 0.00 N ATOM 1786 CA TYR A 113 -2.040 -8.139 -14.642 1.00 0.00 C ATOM 1787 C TYR A 113 -2.958 -7.137 -13.955 1.00 0.00 C ATOM 1788 O TYR A 113 -4.184 -7.270 -14.008 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.211 -8.037 -16.164 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.087 -8.660 -16.964 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -0.944 -10.038 -17.049 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.170 -7.865 -17.640 1.00 0.00 C ATOM 1793 CE1 TYR A 113 0.081 -10.605 -17.781 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.856 -8.424 -18.376 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.977 -9.793 -18.444 1.00 0.00 C ATOM 1796 OH TYR A 113 1.999 -10.355 -19.175 1.00 0.00 O ATOM 0 H TYR A 113 -3.332 -9.738 -14.296 1.00 0.00 H new ATOM 0 HA TYR A 113 -1.000 -7.919 -14.399 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.149 -8.516 -16.445 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.296 -6.985 -16.438 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.646 -10.677 -16.534 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.261 -6.790 -17.589 1.00 0.00 H new ATOM 0 HE1 TYR A 113 0.180 -11.679 -17.834 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.560 -7.790 -18.895 1.00 0.00 H new ATOM 0 HH TYR A 113 1.643 -11.077 -19.733 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.369 -6.147 -13.306 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.138 -5.145 -12.586 1.00 0.00 C ATOM 1808 C LEU A 114 -2.945 -3.788 -13.251 1.00 0.00 C ATOM 1809 O LEU A 114 -1.879 -3.194 -13.170 1.00 0.00 O ATOM 1810 CB LEU A 114 -2.698 -5.112 -11.116 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.691 -4.493 -10.124 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -3.758 -2.984 -10.285 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -5.072 -5.112 -10.298 1.00 0.00 C ATOM 0 H LEU A 114 -1.358 -6.015 -13.263 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.198 -5.396 -12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.489 -6.133 -10.798 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.761 -4.560 -11.052 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.338 -4.707 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.470 -2.573 -9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.773 -2.555 -10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.080 -2.740 -11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.765 -4.662 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.426 -4.932 -11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.015 -6.186 -10.119 1.00 0.00 H new ATOM 1825 N ARG A 115 -3.982 -3.307 -13.906 1.00 0.00 N ATOM 1826 CA ARG A 115 -3.881 -2.120 -14.739 1.00 0.00 C ATOM 1827 C ARG A 115 -4.546 -0.914 -14.081 1.00 0.00 C ATOM 1828 O ARG A 115 -5.760 -0.880 -13.900 1.00 0.00 O ATOM 1829 CB ARG A 115 -4.509 -2.435 -16.101 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.733 -1.240 -17.010 1.00 0.00 C ATOM 1831 CD ARG A 115 -5.114 -1.707 -18.406 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.865 -0.701 -19.146 1.00 0.00 N ATOM 1833 CZ ARG A 115 -5.330 0.122 -20.045 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -4.029 0.074 -20.315 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -6.101 0.995 -20.682 1.00 0.00 N ATOM 0 H ARG A 115 -4.913 -3.722 -13.878 1.00 0.00 H new ATOM 0 HA ARG A 115 -2.832 -1.854 -14.871 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.870 -3.149 -16.620 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.467 -2.927 -15.935 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.521 -0.607 -16.603 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.828 -0.634 -17.056 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.210 -1.961 -18.960 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.709 -2.617 -18.331 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.865 -0.622 -18.963 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.432 -0.597 -19.832 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.628 0.709 -21.005 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.100 1.034 -20.482 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.694 1.627 -21.371 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.730 0.066 -13.711 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.230 1.299 -13.114 1.00 0.00 C ATOM 1851 C PHE A 116 -4.505 2.335 -14.192 1.00 0.00 C ATOM 1852 O PHE A 116 -3.688 2.532 -15.094 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.221 1.882 -12.120 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.143 1.168 -10.802 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -4.192 1.241 -9.898 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -2.014 0.445 -10.454 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -4.117 0.604 -8.676 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -1.931 -0.191 -9.230 1.00 0.00 C ATOM 1859 CZ PHE A 116 -2.984 -0.112 -8.340 1.00 0.00 C ATOM 0 H PHE A 116 -2.716 0.030 -13.814 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.152 1.056 -12.586 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.233 1.872 -12.580 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.476 2.926 -11.936 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -5.078 1.803 -10.153 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.189 0.378 -11.147 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.943 0.665 -7.983 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.044 -0.749 -8.970 1.00 0.00 H new ATOM 0 HZ PHE A 116 -2.922 -0.609 -7.383 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.653 2.988 -14.104 1.00 0.00 N ATOM 1870 CA ILE A 117 -5.987 4.059 -15.028 1.00 0.00 C ATOM 1871 C ILE A 117 -6.467 5.299 -14.282 1.00 0.00 C ATOM 1872 O ILE A 117 -7.577 5.332 -13.745 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.062 3.628 -16.048 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -6.542 2.478 -16.913 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.481 4.810 -16.916 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -7.524 2.021 -17.965 1.00 0.00 C ATOM 0 H ILE A 117 -6.368 2.795 -13.403 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.072 4.296 -15.571 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.939 3.279 -15.503 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.619 2.790 -17.401 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.293 1.634 -16.269 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.239 4.487 -17.629 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.889 5.599 -16.284 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.614 5.190 -17.456 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.088 1.204 -18.540 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.439 1.677 -17.483 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -7.755 2.851 -18.632 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.614 6.306 -14.241 1.00 0.00 N ATOM 1889 CA ILE A 118 -5.972 7.595 -13.688 1.00 0.00 C ATOM 1890 C ILE A 118 -6.600 8.438 -14.786 1.00 0.00 C ATOM 1891 O ILE A 118 -5.901 8.977 -15.649 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.744 8.331 -13.108 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -4.038 7.451 -12.069 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.162 9.661 -12.490 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.767 8.061 -11.516 1.00 0.00 C ATOM 0 H ILE A 118 -4.657 6.252 -14.589 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.677 7.438 -12.872 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.045 8.535 -13.919 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.725 7.255 -11.245 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.801 6.488 -12.522 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.285 10.166 -12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.623 10.288 -13.253 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.878 9.481 -11.688 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.324 7.382 -10.788 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.061 8.231 -12.329 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.999 9.010 -11.032 1.00 0.00 H new ATOM 1907 N VAL A 119 -7.922 8.515 -14.769 1.00 0.00 N ATOM 1908 CA VAL A 119 -8.662 9.202 -15.814 1.00 0.00 C ATOM 1909 C VAL A 119 -8.398 10.702 -15.761 1.00 0.00 C ATOM 1910 O VAL A 119 -8.069 11.323 -16.771 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.178 8.938 -15.695 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -10.934 9.589 -16.844 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.461 7.443 -15.645 1.00 0.00 C ATOM 0 H VAL A 119 -8.506 8.108 -14.039 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.317 8.810 -16.771 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.527 9.384 -14.764 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.000 9.389 -16.738 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -10.764 10.665 -16.828 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -10.580 9.180 -17.790 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.535 7.279 -15.561 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.092 6.972 -16.556 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.959 7.006 -14.782 1.00 0.00 H new ATOM 1923 N SER A 120 -8.534 11.272 -14.577 1.00 0.00 N ATOM 1924 CA SER A 120 -8.311 12.691 -14.387 1.00 0.00 C ATOM 1925 C SER A 120 -7.911 12.963 -12.941 1.00 0.00 C ATOM 1926 O SER A 120 -8.007 12.078 -12.083 1.00 0.00 O ATOM 1927 CB SER A 120 -9.578 13.471 -14.759 1.00 0.00 C ATOM 1928 OG SER A 120 -9.347 14.871 -14.766 1.00 0.00 O ATOM 0 H SER A 120 -8.799 10.770 -13.730 1.00 0.00 H new ATOM 0 HA SER A 120 -7.500 13.021 -15.036 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.925 13.154 -15.742 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.372 13.236 -14.050 1.00 0.00 H new ATOM 0 HG SER A 120 -10.174 15.338 -15.009 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.461 14.181 -12.676 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.046 14.580 -11.342 1.00 0.00 C ATOM 1936 C ALA A 121 -7.609 15.956 -11.011 1.00 0.00 C ATOM 1937 O ALA A 121 -8.053 16.677 -11.906 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.527 14.582 -11.235 1.00 0.00 C ATOM 0 H ALA A 121 -7.374 14.917 -13.377 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.437 13.861 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.233 14.883 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.147 13.581 -11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.112 15.283 -11.959 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.616 16.311 -9.730 1.00 0.00 N ATOM 1945 CA PHE A 122 -8.078 17.633 -9.313 1.00 0.00 C ATOM 1946 C PHE A 122 -7.162 18.714 -9.874 1.00 0.00 C ATOM 1947 O PHE A 122 -7.604 19.809 -10.220 1.00 0.00 O ATOM 1948 CB PHE A 122 -8.140 17.740 -7.788 1.00 0.00 C ATOM 1949 CG PHE A 122 -9.177 16.845 -7.166 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -10.522 17.019 -7.452 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -8.807 15.838 -6.291 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -11.478 16.203 -6.880 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -9.758 15.019 -5.716 1.00 0.00 C ATOM 1954 CZ PHE A 122 -11.096 15.201 -6.010 1.00 0.00 C ATOM 0 H PHE A 122 -7.310 15.708 -8.967 1.00 0.00 H new ATOM 0 HA PHE A 122 -9.084 17.777 -9.707 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -7.162 17.493 -7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -8.351 18.773 -7.512 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.826 17.802 -8.130 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -7.763 15.692 -6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -12.523 16.348 -7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.456 14.236 -5.036 1.00 0.00 H new ATOM 0 HZ PHE A 122 -11.841 14.561 -5.560 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.883 18.389 -9.964 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.905 19.281 -10.562 1.00 0.00 C ATOM 1966 C ASP A 123 -4.522 18.745 -11.935 1.00 0.00 C ATOM 1967 O ASP A 123 -4.898 17.629 -12.289 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.669 19.387 -9.663 1.00 0.00 C ATOM 1969 CG ASP A 123 -2.771 20.549 -10.034 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -1.898 20.382 -10.910 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -2.946 21.641 -9.455 1.00 0.00 O ATOM 0 H ASP A 123 -5.496 17.507 -9.628 1.00 0.00 H new ATOM 0 HA ASP A 123 -5.333 20.278 -10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.988 19.497 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.100 18.460 -9.725 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.781 19.527 -12.704 1.00 0.00 N ATOM 1977 CA HIS A 124 -3.341 19.093 -14.023 1.00 0.00 C ATOM 1978 C HIS A 124 -2.131 18.172 -13.897 1.00 0.00 C ATOM 1979 O HIS A 124 -1.772 17.461 -14.837 1.00 0.00 O ATOM 1980 CB HIS A 124 -3.009 20.306 -14.902 1.00 0.00 C ATOM 1981 CG HIS A 124 -2.607 19.951 -16.302 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -3.485 19.443 -17.234 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -1.406 20.027 -16.924 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -2.844 19.222 -18.366 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -1.582 19.568 -18.204 1.00 0.00 N ATOM 0 H HIS A 124 -3.472 20.462 -12.440 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.150 18.538 -14.498 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -3.878 20.963 -14.940 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -2.202 20.871 -14.435 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -0.482 20.383 -16.492 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.279 18.825 -19.271 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -0.854 19.504 -18.916 1.00 0.00 H new ATOM 1993 N PHE A 125 -1.501 18.194 -12.731 1.00 0.00 N ATOM 1994 CA PHE A 125 -0.364 17.332 -12.466 1.00 0.00 C ATOM 1995 C PHE A 125 -0.658 16.382 -11.312 1.00 0.00 C ATOM 1996 O PHE A 125 -0.987 16.804 -10.204 1.00 0.00 O ATOM 1997 CB PHE A 125 0.881 18.165 -12.155 1.00 0.00 C ATOM 1998 CG PHE A 125 1.359 18.983 -13.319 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.113 18.400 -14.324 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.055 20.332 -13.409 1.00 0.00 C ATOM 2001 CE1 PHE A 125 2.553 19.145 -15.400 1.00 0.00 C ATOM 2002 CE2 PHE A 125 1.495 21.083 -14.484 1.00 0.00 C ATOM 2003 CZ PHE A 125 2.244 20.490 -15.479 1.00 0.00 C ATOM 0 H PHE A 125 -1.761 18.801 -11.954 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.177 16.740 -13.362 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.664 18.829 -11.318 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.683 17.500 -11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.360 17.350 -14.265 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.469 20.801 -12.633 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.138 18.678 -16.179 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.252 22.134 -14.544 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.588 21.076 -16.318 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.547 15.095 -11.590 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.683 14.072 -10.569 1.00 0.00 C ATOM 2015 C ALA A 126 0.648 13.359 -10.402 1.00 0.00 C ATOM 2016 O ALA A 126 1.413 13.242 -11.357 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.782 13.087 -10.939 1.00 0.00 C ATOM 0 H ALA A 126 -0.361 14.731 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.963 14.538 -9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.868 12.328 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.729 13.618 -11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.537 12.608 -11.887 1.00 0.00 H new ATOM 2023 N SER A 127 0.944 12.904 -9.196 1.00 0.00 N ATOM 2024 CA SER A 127 2.223 12.267 -8.933 1.00 0.00 C ATOM 2025 C SER A 127 2.063 11.085 -7.983 1.00 0.00 C ATOM 2026 O SER A 127 1.377 11.182 -6.963 1.00 0.00 O ATOM 2027 CB SER A 127 3.201 13.289 -8.349 1.00 0.00 C ATOM 2028 OG SER A 127 3.298 14.430 -9.188 1.00 0.00 O ATOM 0 H SER A 127 0.322 12.963 -8.390 1.00 0.00 H new ATOM 0 HA SER A 127 2.619 11.888 -9.875 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.869 13.590 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.184 12.833 -8.232 1.00 0.00 H new ATOM 0 HG SER A 127 3.927 15.071 -8.796 1.00 0.00 H new ATOM 2034 N VAL A 128 2.692 9.970 -8.333 1.00 0.00 N ATOM 2035 CA VAL A 128 2.679 8.783 -7.495 1.00 0.00 C ATOM 2036 C VAL A 128 4.088 8.513 -6.972 1.00 0.00 C ATOM 2037 O VAL A 128 5.075 8.850 -7.629 1.00 0.00 O ATOM 2038 CB VAL A 128 2.146 7.547 -8.264 1.00 0.00 C ATOM 2039 CG1 VAL A 128 3.111 7.120 -9.358 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.867 6.392 -7.314 1.00 0.00 C ATOM 0 H VAL A 128 3.221 9.865 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 128 2.005 8.963 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 128 1.207 7.834 -8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.709 6.251 -9.879 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.244 7.938 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.073 6.864 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.494 5.538 -7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.787 6.113 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 128 1.120 6.696 -6.581 1.00 0.00 H new ATOM 2050 N HIS A 129 4.184 7.942 -5.784 1.00 0.00 N ATOM 2051 CA HIS A 129 5.479 7.698 -5.169 1.00 0.00 C ATOM 2052 C HIS A 129 5.820 6.214 -5.223 1.00 0.00 C ATOM 2053 O HIS A 129 6.933 5.835 -5.575 1.00 0.00 O ATOM 2054 CB HIS A 129 5.461 8.189 -3.721 1.00 0.00 C ATOM 2055 CG HIS A 129 6.791 8.656 -3.218 1.00 0.00 C ATOM 2056 ND1 HIS A 129 7.340 8.232 -2.028 1.00 0.00 N ATOM 2057 CD2 HIS A 129 7.658 9.565 -3.726 1.00 0.00 C ATOM 2058 CE1 HIS A 129 8.479 8.864 -1.824 1.00 0.00 C ATOM 2059 NE2 HIS A 129 8.697 9.679 -2.837 1.00 0.00 N ATOM 0 H HIS A 129 3.385 7.639 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 129 6.244 8.245 -5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 129 4.745 9.006 -3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 129 5.105 7.383 -3.080 1.00 0.00 H new ATOM 0 HD1 HIS A 129 6.930 7.538 -1.403 1.00 0.00 H new ATOM 0 HD2 HIS A 129 7.551 10.100 -4.658 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.126 8.735 -0.969 1.00 0.00 H new ATOM 2067 N SER A 130 4.849 5.384 -4.865 1.00 0.00 N ATOM 2068 CA SER A 130 5.006 3.940 -4.917 1.00 0.00 C ATOM 2069 C SER A 130 3.658 3.277 -4.660 1.00 0.00 C ATOM 2070 O SER A 130 2.790 3.860 -4.007 1.00 0.00 O ATOM 2071 CB SER A 130 6.037 3.475 -3.880 1.00 0.00 C ATOM 2072 OG SER A 130 6.271 2.077 -3.963 1.00 0.00 O ATOM 0 H SER A 130 3.936 5.693 -4.532 1.00 0.00 H new ATOM 0 HA SER A 130 5.366 3.653 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 130 6.974 4.011 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.686 3.726 -2.879 1.00 0.00 H new ATOM 0 HG SER A 130 6.617 1.856 -4.853 1.00 0.00 H new ATOM 2078 N VAL A 131 3.475 2.079 -5.195 1.00 0.00 N ATOM 2079 CA VAL A 131 2.264 1.308 -4.957 1.00 0.00 C ATOM 2080 C VAL A 131 2.625 -0.131 -4.617 1.00 0.00 C ATOM 2081 O VAL A 131 3.624 -0.661 -5.107 1.00 0.00 O ATOM 2082 CB VAL A 131 1.300 1.328 -6.169 1.00 0.00 C ATOM 2083 CG1 VAL A 131 0.722 2.717 -6.380 1.00 0.00 C ATOM 2084 CG2 VAL A 131 1.997 0.849 -7.434 1.00 0.00 C ATOM 0 H VAL A 131 4.154 1.618 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 131 1.746 1.775 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 131 0.482 0.642 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.048 2.704 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.171 3.021 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.531 3.424 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.295 0.874 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.843 1.501 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.352 -0.171 -7.289 1.00 0.00 H new ATOM 2094 N SER A 132 1.828 -0.748 -3.764 1.00 0.00 N ATOM 2095 CA SER A 132 2.078 -2.115 -3.339 1.00 0.00 C ATOM 2096 C SER A 132 0.786 -2.920 -3.332 1.00 0.00 C ATOM 2097 O SER A 132 -0.282 -2.390 -3.038 1.00 0.00 O ATOM 2098 CB SER A 132 2.702 -2.127 -1.941 1.00 0.00 C ATOM 2099 OG SER A 132 3.950 -1.451 -1.926 1.00 0.00 O ATOM 0 H SER A 132 0.998 -0.323 -3.350 1.00 0.00 H new ATOM 0 HA SER A 132 2.771 -2.572 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.022 -1.654 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 132 2.840 -3.157 -1.611 1.00 0.00 H new ATOM 0 HG SER A 132 4.431 -1.671 -1.101 1.00 0.00 H new ATOM 2105 N ALA A 133 0.878 -4.196 -3.672 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.270 -5.081 -3.588 1.00 0.00 C ATOM 2107 C ALA A 133 -0.091 -6.027 -2.417 1.00 0.00 C ATOM 2108 O ALA A 133 0.857 -6.806 -2.393 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.451 -5.856 -4.886 1.00 0.00 C ATOM 0 H ALA A 133 1.733 -4.640 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.169 -4.485 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.317 -6.513 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.606 -5.157 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.440 -6.454 -5.080 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.976 -5.943 -1.442 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.861 -6.755 -0.241 1.00 0.00 C ATOM 2117 C GLU A 134 -1.667 -8.029 -0.368 1.00 0.00 C ATOM 2118 O GLU A 134 -2.815 -8.009 -0.825 1.00 0.00 O ATOM 2119 CB GLU A 134 -1.314 -5.983 0.994 1.00 0.00 C ATOM 2120 CG GLU A 134 -0.450 -4.781 1.319 1.00 0.00 C ATOM 2121 CD GLU A 134 -0.913 -4.067 2.572 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -2.053 -3.568 2.584 1.00 0.00 O ATOM 2123 OE2 GLU A 134 -0.147 -4.016 3.556 1.00 0.00 O ATOM 0 H GLU A 134 -1.784 -5.321 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 134 0.192 -7.013 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.341 -5.650 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -1.318 -6.657 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.584 -5.102 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.466 -4.086 0.479 1.00 0.00 H new ATOM 2130 N GLY A 135 -1.063 -9.129 0.032 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.722 -10.406 -0.005 1.00 0.00 C ATOM 2132 C GLY A 135 -0.724 -11.530 0.115 1.00 0.00 C ATOM 2133 O GLY A 135 0.313 -11.372 0.760 1.00 0.00 O ATOM 0 H GLY A 135 -0.108 -9.157 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -2.447 -10.469 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -2.278 -10.506 -0.937 1.00 0.00 H new ATOM 2137 N THR A 136 -1.016 -12.649 -0.522 1.00 0.00 N ATOM 2138 CA THR A 136 -0.139 -13.807 -0.475 1.00 0.00 C ATOM 2139 C THR A 136 -0.034 -14.456 -1.849 1.00 0.00 C ATOM 2140 O THR A 136 -1.021 -14.545 -2.573 1.00 0.00 O ATOM 2141 CB THR A 136 -0.643 -14.844 0.552 1.00 0.00 C ATOM 2142 OG1 THR A 136 -2.065 -15.002 0.439 1.00 0.00 O ATOM 2143 CG2 THR A 136 -0.284 -14.432 1.970 1.00 0.00 C ATOM 0 H THR A 136 -1.859 -12.782 -1.081 1.00 0.00 H new ATOM 0 HA THR A 136 0.848 -13.462 -0.166 1.00 0.00 H new ATOM 0 HB THR A 136 -0.154 -15.794 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.374 -15.663 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 136 -0.652 -15.181 2.671 1.00 0.00 H new ATOM 0 HG22 THR A 136 0.799 -14.350 2.062 1.00 0.00 H new ATOM 0 HG23 THR A 136 -0.741 -13.469 2.196 1.00 0.00 H new ATOM 2151 N VAL A 137 1.161 -14.888 -2.227 1.00 0.00 N ATOM 2152 CA VAL A 137 1.343 -15.558 -3.507 1.00 0.00 C ATOM 2153 C VAL A 137 0.622 -16.908 -3.503 1.00 0.00 C ATOM 2154 O VAL A 137 0.890 -17.765 -2.659 1.00 0.00 O ATOM 2155 CB VAL A 137 2.843 -15.737 -3.861 1.00 0.00 C ATOM 2156 CG1 VAL A 137 3.595 -16.470 -2.757 1.00 0.00 C ATOM 2157 CG2 VAL A 137 3.003 -16.462 -5.191 1.00 0.00 C ATOM 0 H VAL A 137 2.011 -14.788 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 137 0.906 -14.924 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 137 3.278 -14.742 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.642 -16.577 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.526 -15.901 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.156 -17.457 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.063 -16.576 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.538 -17.446 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.523 -15.884 -5.981 1.00 0.00 H new ATOM 2167 N VAL A 138 -0.315 -17.078 -4.426 1.00 0.00 N ATOM 2168 CA VAL A 138 -1.105 -18.302 -4.500 1.00 0.00 C ATOM 2169 C VAL A 138 -0.297 -19.416 -5.151 1.00 0.00 C ATOM 2170 O VAL A 138 -0.167 -20.516 -4.606 1.00 0.00 O ATOM 2171 CB VAL A 138 -2.409 -18.090 -5.305 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -3.264 -19.348 -5.292 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -3.191 -16.903 -4.761 1.00 0.00 C ATOM 0 H VAL A 138 -0.548 -16.383 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.366 -18.580 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.137 -17.875 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -4.175 -19.175 -5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -2.706 -20.171 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -3.524 -19.601 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -4.104 -16.772 -5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.448 -17.084 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.582 -16.002 -4.834 1.00 0.00 H new ATOM 2183 N SER A 139 0.253 -19.113 -6.314 1.00 0.00 N ATOM 2184 CA SER A 139 1.033 -20.073 -7.065 1.00 0.00 C ATOM 2185 C SER A 139 1.861 -19.361 -8.126 1.00 0.00 C ATOM 2186 O SER A 139 1.608 -18.198 -8.456 1.00 0.00 O ATOM 2187 CB SER A 139 0.110 -21.109 -7.712 1.00 0.00 C ATOM 2188 OG SER A 139 -0.906 -20.480 -8.476 1.00 0.00 O ATOM 0 H SER A 139 0.171 -18.199 -6.760 1.00 0.00 H new ATOM 0 HA SER A 139 1.711 -20.588 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.693 -21.771 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.343 -21.730 -6.939 1.00 0.00 H new ATOM 0 HG SER A 139 -0.515 -20.097 -9.289 1.00 0.00 H new