USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 799 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 78 GLN : amide:sc= -16.9! C(o=-17!,f=-25!) USER MOD Set 1.2: A 126 MET CE :methyl -158:sc= -0.325 (180deg=-0.184) USER MOD Set 2.1: A 118 THR OG1 : rot 61:sc= -0.763 USER MOD Set 2.2: A 123 HIS : no HE2:sc= -15.3! C(o=-16!,f=-19!) USER MOD Set 3.1: A 60 SER OG : rot 65:sc= -1.16! USER MOD Set 3.2: A 62 MET CE :methyl -138:sc= -3.21! (180deg=-6.36!) USER MOD Set 4.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 71 TYR OH : rot -162:sc= 0.239 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.384 K(o=-0.38,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -18.6! C(o=-19!,f=-22!) USER MOD Single : A 45 CYS SG : rot -7:sc= -6.79! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -6.46! C(o=-6.5!,f=-10!) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= -3.55! (180deg=-5.12!) USER MOD Single : A 52 MET CE :methyl 149:sc= -12.2! (180deg=-18.2!) USER MOD Single : A 55 MET CE :methyl -145:sc= -7.14! (180deg=-10.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.14 K(o=-3.1,f=-7.4!) USER MOD Single : A 70 GLN : amide:sc= -5.83! K(o=-5.8!,f=-1.1) USER MOD Single : A 72 SER OG : rot -158:sc= -10.1! USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.166) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 92:sc= 1.93 USER MOD Single : A 89 SER OG : rot 38:sc= 0.406 USER MOD Single : A 90 MET CE :methyl 161:sc= -0.363 (180deg=-1.23) USER MOD Single : A 95 GLN : amide:sc= -3.19 K(o=-3.2,f=-7.2!) USER MOD Single : A 104 SER OG : rot 109:sc= 0.0288! USER MOD Single : A 106 MET CE :methyl 165:sc= -9.68! (180deg=-9.94!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -113:sc= -0.704 (180deg=-2.13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 96.417 -21.204 -5.170 1.00 0.00 N ATOM 2 CA GLY A 28 96.987 -22.305 -4.343 1.00 0.00 C ATOM 3 C GLY A 28 96.195 -22.429 -3.040 1.00 0.00 C ATOM 4 O GLY A 28 95.709 -21.453 -2.504 1.00 0.00 O ATOM 0 HA2 GLY A 28 96.950 -23.245 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 28 98.036 -22.105 -4.125 1.00 0.00 H new ATOM 10 N SER A 29 96.062 -23.621 -2.526 1.00 0.00 N ATOM 11 CA SER A 29 95.300 -23.805 -1.257 1.00 0.00 C ATOM 12 C SER A 29 96.210 -24.392 -0.175 1.00 0.00 C ATOM 13 O SER A 29 95.819 -25.269 0.570 1.00 0.00 O ATOM 14 CB SER A 29 94.180 -24.784 -1.606 1.00 0.00 C ATOM 15 OG SER A 29 93.022 -24.061 -1.997 1.00 0.00 O ATOM 0 H SER A 29 96.447 -24.475 -2.929 1.00 0.00 H new ATOM 0 HA SER A 29 94.911 -22.864 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 29 94.498 -25.445 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 29 93.954 -25.416 -0.747 1.00 0.00 H new ATOM 0 HG SER A 29 92.305 -24.689 -2.222 1.00 0.00 H new ATOM 21 N GLY A 30 97.422 -23.917 -0.083 1.00 0.00 N ATOM 22 CA GLY A 30 98.355 -24.450 0.950 1.00 0.00 C ATOM 23 C GLY A 30 98.281 -23.576 2.207 1.00 0.00 C ATOM 24 O GLY A 30 97.660 -23.949 3.182 1.00 0.00 O ATOM 0 H GLY A 30 97.806 -23.183 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 30 98.094 -25.480 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 30 99.374 -24.463 0.563 1.00 0.00 H new ATOM 28 N PRO A 31 98.924 -22.435 2.148 1.00 0.00 N ATOM 29 CA PRO A 31 98.932 -21.500 3.299 1.00 0.00 C ATOM 30 C PRO A 31 97.509 -21.039 3.629 1.00 0.00 C ATOM 31 O PRO A 31 97.193 -20.732 4.762 1.00 0.00 O ATOM 32 CB PRO A 31 99.780 -20.335 2.782 1.00 0.00 C ATOM 33 CG PRO A 31 100.230 -20.650 1.340 1.00 0.00 C ATOM 34 CD PRO A 31 99.670 -22.019 0.935 1.00 0.00 C ATOM 0 HA PRO A 31 99.321 -21.941 4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 31 99.204 -19.410 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 31 100.648 -20.186 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 31 99.873 -19.879 0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 31 101.318 -20.654 1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 31 99.020 -21.949 0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 31 100.463 -22.724 0.685 1.00 0.00 H new ATOM 42 N LYS A 32 96.649 -20.983 2.649 1.00 0.00 N ATOM 43 CA LYS A 32 95.251 -20.538 2.909 1.00 0.00 C ATOM 44 C LYS A 32 95.239 -19.069 3.344 1.00 0.00 C ATOM 45 O LYS A 32 96.257 -18.509 3.698 1.00 0.00 O ATOM 46 CB LYS A 32 94.751 -21.435 4.041 1.00 0.00 C ATOM 47 CG LYS A 32 93.327 -21.900 3.732 1.00 0.00 C ATOM 48 CD LYS A 32 92.954 -23.059 4.658 1.00 0.00 C ATOM 49 CE LYS A 32 92.370 -22.506 5.960 1.00 0.00 C ATOM 50 NZ LYS A 32 91.035 -23.154 6.086 1.00 0.00 N ATOM 0 H LYS A 32 96.854 -21.226 1.680 1.00 0.00 H new ATOM 0 HA LYS A 32 94.622 -20.614 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 32 95.410 -22.296 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 32 94.771 -20.892 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.627 -21.075 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 32 93.254 -22.215 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.229 -23.710 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 32 93.834 -23.666 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.007 -22.745 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.280 -21.420 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 90.570 -22.825 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 90.449 -22.903 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 91.153 -24.187 6.125 1.00 0.00 H new ATOM 64 N GLY A 33 94.095 -18.443 3.319 1.00 0.00 N ATOM 65 CA GLY A 33 94.020 -17.013 3.730 1.00 0.00 C ATOM 66 C GLY A 33 92.555 -16.606 3.890 1.00 0.00 C ATOM 67 O GLY A 33 92.156 -15.523 3.510 1.00 0.00 O ATOM 0 H GLY A 33 93.209 -18.860 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 33 94.555 -16.864 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 33 94.504 -16.383 2.984 1.00 0.00 H new ATOM 71 N GLY A 34 91.750 -17.467 4.449 1.00 0.00 N ATOM 72 CA GLY A 34 90.310 -17.130 4.633 1.00 0.00 C ATOM 73 C GLY A 34 89.616 -17.099 3.271 1.00 0.00 C ATOM 74 O GLY A 34 90.028 -16.399 2.368 1.00 0.00 O ATOM 0 H GLY A 34 92.027 -18.389 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 34 89.833 -17.866 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 34 90.212 -16.162 5.125 1.00 0.00 H new ATOM 78 N GLY A 35 88.563 -17.854 3.115 1.00 0.00 N ATOM 79 CA GLY A 35 87.843 -17.869 1.811 1.00 0.00 C ATOM 80 C GLY A 35 86.627 -16.949 1.891 1.00 0.00 C ATOM 81 O GLY A 35 86.384 -16.308 2.894 1.00 0.00 O ATOM 0 H GLY A 35 88.170 -18.461 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 88.508 -17.541 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.529 -18.884 1.568 1.00 0.00 H new ATOM 85 N ASN A 36 85.867 -16.872 0.837 1.00 0.00 N ATOM 86 CA ASN A 36 84.673 -15.987 0.844 1.00 0.00 C ATOM 87 C ASN A 36 85.075 -14.566 1.225 1.00 0.00 C ATOM 88 O ASN A 36 85.175 -14.220 2.385 1.00 0.00 O ATOM 89 CB ASN A 36 83.737 -16.566 1.891 1.00 0.00 C ATOM 90 CG ASN A 36 83.519 -18.056 1.620 1.00 0.00 C ATOM 91 OD1 ASN A 36 83.847 -18.545 0.557 1.00 0.00 O ATOM 92 ND2 ASN A 36 82.977 -18.803 2.542 1.00 0.00 N ATOM 0 H ASN A 36 86.022 -17.385 -0.031 1.00 0.00 H new ATOM 0 HA ASN A 36 84.200 -15.940 -0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.158 -16.425 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 36 82.783 -16.039 1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 36 82.829 -19.797 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 36 82.702 -18.393 3.434 1.00 0.00 H new ATOM 99 N ALA A 37 85.299 -13.749 0.248 1.00 0.00 N ATOM 100 CA ALA A 37 85.693 -12.338 0.517 1.00 0.00 C ATOM 101 C ALA A 37 85.171 -11.432 -0.603 1.00 0.00 C ATOM 102 O ALA A 37 85.590 -11.531 -1.735 1.00 0.00 O ATOM 103 CB ALA A 37 87.222 -12.347 0.538 1.00 0.00 C ATOM 0 H ALA A 37 85.227 -13.995 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 37 85.281 -11.961 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.589 -11.339 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.571 -13.017 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.597 -12.691 -0.426 1.00 0.00 H new ATOM 109 N VAL A 38 84.256 -10.557 -0.292 1.00 0.00 N ATOM 110 CA VAL A 38 83.693 -9.647 -1.338 1.00 0.00 C ATOM 111 C VAL A 38 84.515 -8.355 -1.415 1.00 0.00 C ATOM 112 O VAL A 38 85.063 -7.920 -0.422 1.00 0.00 O ATOM 113 CB VAL A 38 82.268 -9.347 -0.865 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.596 -10.647 -0.414 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.307 -8.363 0.305 1.00 0.00 C ATOM 0 H VAL A 38 83.870 -10.430 0.644 1.00 0.00 H new ATOM 0 HA VAL A 38 83.712 -10.094 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 38 81.702 -8.908 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.581 -10.434 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.562 -11.347 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.166 -11.086 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.291 -8.153 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.875 -8.798 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.783 -7.436 -0.015 1.00 0.00 H new ATOM 125 N LYS A 39 84.606 -7.709 -2.560 1.00 0.00 N ATOM 126 CA LYS A 39 85.389 -6.452 -2.594 1.00 0.00 C ATOM 127 C LYS A 39 84.436 -5.308 -2.262 1.00 0.00 C ATOM 128 O LYS A 39 83.744 -4.791 -3.116 1.00 0.00 O ATOM 129 CB LYS A 39 85.895 -6.362 -4.026 1.00 0.00 C ATOM 130 CG LYS A 39 87.411 -6.163 -4.022 1.00 0.00 C ATOM 131 CD LYS A 39 87.750 -4.870 -3.279 1.00 0.00 C ATOM 132 CE LYS A 39 89.083 -4.324 -3.791 1.00 0.00 C ATOM 133 NZ LYS A 39 88.857 -2.862 -3.961 1.00 0.00 N ATOM 0 H LYS A 39 84.181 -7.996 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 39 86.217 -6.412 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.639 -7.271 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.411 -5.533 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.899 -7.011 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 39 87.786 -6.117 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 39 86.961 -4.133 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.809 -5.059 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.888 -4.520 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.366 -4.792 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.728 -2.414 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.089 -2.707 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.595 -2.442 -3.046 1.00 0.00 H new ATOM 147 N VAL A 40 84.344 -4.956 -1.007 1.00 0.00 N ATOM 148 CA VAL A 40 83.376 -3.898 -0.610 1.00 0.00 C ATOM 149 C VAL A 40 84.044 -2.578 -0.216 1.00 0.00 C ATOM 150 O VAL A 40 85.140 -2.537 0.307 1.00 0.00 O ATOM 151 CB VAL A 40 82.634 -4.489 0.590 1.00 0.00 C ATOM 152 CG1 VAL A 40 83.567 -4.522 1.801 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.413 -3.626 0.909 1.00 0.00 C ATOM 0 H VAL A 40 84.894 -5.354 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 40 82.726 -3.644 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 40 82.310 -5.503 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.038 -4.943 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 40 84.437 -5.138 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.891 -3.509 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 40 80.884 -4.046 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 40 81.736 -2.612 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.748 -3.603 0.046 1.00 0.00 H new ATOM 163 N ARG A 41 83.341 -1.501 -0.447 1.00 0.00 N ATOM 164 CA ARG A 41 83.841 -0.145 -0.083 1.00 0.00 C ATOM 165 C ARG A 41 82.745 0.535 0.747 1.00 0.00 C ATOM 166 O ARG A 41 81.580 0.229 0.588 1.00 0.00 O ATOM 167 CB ARG A 41 84.060 0.582 -1.413 1.00 0.00 C ATOM 168 CG ARG A 41 84.833 -0.322 -2.382 1.00 0.00 C ATOM 169 CD ARG A 41 84.261 -0.164 -3.792 1.00 0.00 C ATOM 170 NE ARG A 41 84.053 -1.558 -4.276 1.00 0.00 N ATOM 171 CZ ARG A 41 84.202 -1.838 -5.542 1.00 0.00 C ATOM 172 NH1 ARG A 41 83.469 -1.231 -6.435 1.00 0.00 N ATOM 173 NH2 ARG A 41 85.083 -2.726 -5.915 1.00 0.00 N ATOM 0 H ARG A 41 82.419 -1.506 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 41 84.763 -0.153 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 41 83.100 0.859 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 41 84.613 1.506 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.891 -0.060 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 41 84.760 -1.362 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 41 83.325 0.394 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 41 84.948 0.381 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 41 83.794 -2.293 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 41 82.780 -0.538 -6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 41 83.585 -1.450 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 41 85.655 -3.201 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 41 85.199 -2.945 -6.904 1.00 0.00 H new ATOM 187 N HIS A 42 83.076 1.412 1.656 1.00 0.00 N ATOM 188 CA HIS A 42 81.985 2.019 2.484 1.00 0.00 C ATOM 189 C HIS A 42 82.093 3.545 2.594 1.00 0.00 C ATOM 190 O HIS A 42 83.162 4.122 2.580 1.00 0.00 O ATOM 191 CB HIS A 42 82.120 1.392 3.878 1.00 0.00 C ATOM 192 CG HIS A 42 82.699 0.003 3.782 1.00 0.00 C ATOM 193 ND1 HIS A 42 81.910 -1.135 3.853 1.00 0.00 N ATOM 194 CD2 HIS A 42 83.986 -0.444 3.614 1.00 0.00 C ATOM 195 CE1 HIS A 42 82.723 -2.200 3.729 1.00 0.00 C ATOM 196 NE2 HIS A 42 83.999 -1.835 3.581 1.00 0.00 N ATOM 0 H HIS A 42 84.023 1.730 1.861 1.00 0.00 H new ATOM 0 HA HIS A 42 81.019 1.822 2.018 1.00 0.00 H new ATOM 0 HB2 HIS A 42 82.759 2.016 4.503 1.00 0.00 H new ATOM 0 HB3 HIS A 42 81.144 1.352 4.361 1.00 0.00 H new ATOM 0 HD2 HIS A 42 84.857 0.188 3.521 1.00 0.00 H new ATOM 0 HE1 HIS A 42 82.385 -3.225 3.747 1.00 0.00 H new ATOM 0 HE2 HIS A 42 84.809 -2.445 3.468 1.00 0.00 H new ATOM 204 N ILE A 43 80.960 4.179 2.736 1.00 0.00 N ATOM 205 CA ILE A 43 80.895 5.665 2.892 1.00 0.00 C ATOM 206 C ILE A 43 79.801 5.988 3.923 1.00 0.00 C ATOM 207 O ILE A 43 78.654 5.636 3.737 1.00 0.00 O ATOM 208 CB ILE A 43 80.509 6.199 1.510 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.616 5.874 0.503 1.00 0.00 C ATOM 210 CG2 ILE A 43 80.314 7.715 1.581 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.366 6.647 -0.796 1.00 0.00 C ATOM 0 H ILE A 43 80.051 3.717 2.751 1.00 0.00 H new ATOM 0 HA ILE A 43 81.831 6.107 3.234 1.00 0.00 H new ATOM 0 HB ILE A 43 79.580 5.728 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.589 6.141 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.638 4.803 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 43 80.039 8.093 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 43 79.522 7.947 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 43 81.242 8.186 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 43 82.153 6.417 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.400 6.358 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 43 81.366 7.717 -0.588 1.00 0.00 H new ATOM 223 N LEU A 44 80.138 6.620 5.019 1.00 0.00 N ATOM 224 CA LEU A 44 79.101 6.911 6.053 1.00 0.00 C ATOM 225 C LEU A 44 78.915 8.427 6.230 1.00 0.00 C ATOM 226 O LEU A 44 79.851 9.190 6.147 1.00 0.00 O ATOM 227 CB LEU A 44 79.682 6.247 7.319 1.00 0.00 C ATOM 228 CG LEU A 44 79.559 7.164 8.542 1.00 0.00 C ATOM 229 CD1 LEU A 44 78.094 7.544 8.766 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.082 6.435 9.781 1.00 0.00 C ATOM 0 H LEU A 44 81.079 6.945 5.241 1.00 0.00 H new ATOM 0 HA LEU A 44 78.110 6.535 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.160 5.310 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.730 5.999 7.153 1.00 0.00 H new ATOM 0 HG LEU A 44 80.144 8.067 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 44 78.016 8.195 9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.715 8.066 7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.506 6.642 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 44 79.995 7.087 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.496 5.530 9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.128 6.168 9.631 1.00 0.00 H new ATOM 242 N CYS A 45 77.710 8.863 6.489 1.00 0.00 N ATOM 243 CA CYS A 45 77.469 10.322 6.688 1.00 0.00 C ATOM 244 C CYS A 45 76.926 10.572 8.099 1.00 0.00 C ATOM 245 O CYS A 45 75.873 10.089 8.464 1.00 0.00 O ATOM 246 CB CYS A 45 76.433 10.702 5.635 1.00 0.00 C ATOM 247 SG CYS A 45 77.112 10.375 3.990 1.00 0.00 S ATOM 0 H CYS A 45 76.883 8.272 6.571 1.00 0.00 H new ATOM 0 HA CYS A 45 78.380 10.913 6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.518 10.129 5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.169 11.755 5.730 1.00 0.00 H new ATOM 0 HG CYS A 45 78.362 10.035 4.096 1.00 0.00 H new ATOM 253 N GLU A 46 77.643 11.316 8.899 1.00 0.00 N ATOM 254 CA GLU A 46 77.175 11.586 10.290 1.00 0.00 C ATOM 255 C GLU A 46 75.846 12.349 10.280 1.00 0.00 C ATOM 256 O GLU A 46 74.962 12.078 11.069 1.00 0.00 O ATOM 257 CB GLU A 46 78.276 12.441 10.918 1.00 0.00 C ATOM 258 CG GLU A 46 78.329 12.180 12.425 1.00 0.00 C ATOM 259 CD GLU A 46 79.075 13.323 13.114 1.00 0.00 C ATOM 260 OE1 GLU A 46 79.733 14.080 12.419 1.00 0.00 O ATOM 261 OE2 GLU A 46 78.978 13.422 14.326 1.00 0.00 O ATOM 0 H GLU A 46 78.532 11.748 8.649 1.00 0.00 H new ATOM 0 HA GLU A 46 77.000 10.665 10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.238 12.205 10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.084 13.497 10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.319 12.097 12.826 1.00 0.00 H new ATOM 0 HG3 GLU A 46 78.830 11.233 12.623 1.00 0.00 H new ATOM 268 N LYS A 47 75.695 13.301 9.400 1.00 0.00 N ATOM 269 CA LYS A 47 74.419 14.072 9.357 1.00 0.00 C ATOM 270 C LYS A 47 73.441 13.421 8.375 1.00 0.00 C ATOM 271 O LYS A 47 72.332 13.881 8.191 1.00 0.00 O ATOM 272 CB LYS A 47 74.810 15.471 8.881 1.00 0.00 C ATOM 273 CG LYS A 47 75.462 15.383 7.501 1.00 0.00 C ATOM 274 CD LYS A 47 76.758 16.193 7.502 1.00 0.00 C ATOM 275 CE LYS A 47 77.753 15.561 8.477 1.00 0.00 C ATOM 276 NZ LYS A 47 78.691 16.662 8.832 1.00 0.00 N ATOM 0 H LYS A 47 76.396 13.578 8.712 1.00 0.00 H new ATOM 0 HA LYS A 47 73.923 14.100 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.928 16.110 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.500 15.928 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.670 14.343 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 47 74.782 15.765 6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.183 16.221 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.555 17.224 7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.248 15.172 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.280 14.725 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.406 16.308 9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.162 17.008 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 78.161 17.441 9.273 1.00 0.00 H new ATOM 290 N HIS A 48 73.847 12.351 7.744 1.00 0.00 N ATOM 291 CA HIS A 48 72.947 11.661 6.776 1.00 0.00 C ATOM 292 C HIS A 48 72.499 12.626 5.675 1.00 0.00 C ATOM 293 O HIS A 48 71.585 12.346 4.925 1.00 0.00 O ATOM 294 CB HIS A 48 71.754 11.198 7.610 1.00 0.00 C ATOM 295 CG HIS A 48 72.161 10.019 8.456 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.411 9.930 9.051 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.495 8.873 8.813 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.458 8.767 9.726 1.00 0.00 C ATOM 299 NE2 HIS A 48 72.315 8.085 9.614 1.00 0.00 N ATOM 0 H HIS A 48 74.766 11.924 7.858 1.00 0.00 H new ATOM 0 HA HIS A 48 73.442 10.829 6.275 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.403 12.011 8.245 1.00 0.00 H new ATOM 0 HB3 HIS A 48 70.925 10.923 6.958 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.159 10.621 8.988 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.487 8.621 8.517 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.315 8.427 10.289 1.00 0.00 H new ATOM 307 N GLY A 49 73.144 13.755 5.563 1.00 0.00 N ATOM 308 CA GLY A 49 72.764 14.729 4.502 1.00 0.00 C ATOM 309 C GLY A 49 73.568 14.414 3.241 1.00 0.00 C ATOM 310 O GLY A 49 73.029 13.994 2.236 1.00 0.00 O ATOM 0 H GLY A 49 73.918 14.045 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.696 14.666 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.965 15.748 4.834 1.00 0.00 H new ATOM 314 N LYS A 50 74.858 14.601 3.291 1.00 0.00 N ATOM 315 CA LYS A 50 75.701 14.298 2.100 1.00 0.00 C ATOM 316 C LYS A 50 75.457 12.864 1.648 1.00 0.00 C ATOM 317 O LYS A 50 75.742 12.508 0.527 1.00 0.00 O ATOM 318 CB LYS A 50 77.142 14.473 2.576 1.00 0.00 C ATOM 319 CG LYS A 50 77.391 13.557 3.775 1.00 0.00 C ATOM 320 CD LYS A 50 77.402 14.390 5.055 1.00 0.00 C ATOM 321 CE LYS A 50 78.822 14.435 5.626 1.00 0.00 C ATOM 322 NZ LYS A 50 78.915 13.240 6.510 1.00 0.00 N ATOM 0 H LYS A 50 75.365 14.950 4.104 1.00 0.00 H new ATOM 0 HA LYS A 50 75.475 14.946 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.835 14.233 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 50 77.322 15.512 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.615 12.794 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.342 13.037 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 50 77.051 15.401 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.718 13.960 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.569 14.399 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.995 15.355 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.453 13.483 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 77.959 12.931 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 79.399 12.471 6.004 1.00 0.00 H new ATOM 336 N ILE A 51 74.925 12.034 2.501 1.00 0.00 N ATOM 337 CA ILE A 51 74.665 10.631 2.079 1.00 0.00 C ATOM 338 C ILE A 51 74.001 10.644 0.708 1.00 0.00 C ATOM 339 O ILE A 51 74.282 9.818 -0.139 1.00 0.00 O ATOM 340 CB ILE A 51 73.733 10.047 3.143 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.693 8.525 3.001 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.324 10.614 2.958 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.895 7.913 3.724 1.00 0.00 C ATOM 0 H ILE A 51 74.662 12.262 3.460 1.00 0.00 H new ATOM 0 HA ILE A 51 75.574 10.036 1.997 1.00 0.00 H new ATOM 0 HB ILE A 51 74.101 10.312 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.766 8.134 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.709 8.247 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.662 10.197 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.352 11.699 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.953 10.350 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.867 6.828 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.817 8.294 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.859 8.180 4.780 1.00 0.00 H new ATOM 355 N MET A 52 73.144 11.597 0.467 1.00 0.00 N ATOM 356 CA MET A 52 72.498 11.678 -0.866 1.00 0.00 C ATOM 357 C MET A 52 73.436 12.404 -1.814 1.00 0.00 C ATOM 358 O MET A 52 73.657 11.988 -2.932 1.00 0.00 O ATOM 359 CB MET A 52 71.206 12.466 -0.655 1.00 0.00 C ATOM 360 CG MET A 52 70.014 11.609 -1.085 1.00 0.00 C ATOM 361 SD MET A 52 69.536 12.045 -2.776 1.00 0.00 S ATOM 362 CE MET A 52 71.179 11.910 -3.524 1.00 0.00 C ATOM 0 H MET A 52 72.866 12.318 1.133 1.00 0.00 H new ATOM 0 HA MET A 52 72.282 10.700 -1.295 1.00 0.00 H new ATOM 0 HB2 MET A 52 71.106 12.748 0.393 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.232 13.390 -1.233 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.274 10.552 -1.030 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.176 11.767 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.081 11.595 -4.563 1.00 0.00 H new ATOM 0 HE2 MET A 52 71.678 12.878 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 52 71.769 11.175 -2.976 1.00 0.00 H new ATOM 372 N GLU A 53 74.041 13.454 -1.355 1.00 0.00 N ATOM 373 CA GLU A 53 75.011 14.161 -2.212 1.00 0.00 C ATOM 374 C GLU A 53 76.043 13.132 -2.621 1.00 0.00 C ATOM 375 O GLU A 53 76.608 13.182 -3.690 1.00 0.00 O ATOM 376 CB GLU A 53 75.631 15.247 -1.334 1.00 0.00 C ATOM 377 CG GLU A 53 75.734 16.543 -2.137 1.00 0.00 C ATOM 378 CD GLU A 53 76.833 17.426 -1.543 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.872 17.553 -0.329 1.00 0.00 O ATOM 380 OE2 GLU A 53 77.617 17.962 -2.309 1.00 0.00 O ATOM 0 H GLU A 53 73.905 13.851 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 53 74.578 14.613 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.022 15.404 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.619 14.936 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 53 75.956 16.320 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.780 17.070 -2.120 1.00 0.00 H new ATOM 387 N ALA A 54 76.254 12.163 -1.771 1.00 0.00 N ATOM 388 CA ALA A 54 77.216 11.083 -2.101 1.00 0.00 C ATOM 389 C ALA A 54 76.536 10.149 -3.087 1.00 0.00 C ATOM 390 O ALA A 54 77.162 9.547 -3.936 1.00 0.00 O ATOM 391 CB ALA A 54 77.505 10.375 -0.777 1.00 0.00 C ATOM 0 H ALA A 54 75.799 12.076 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 54 78.143 11.441 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.211 9.562 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.932 11.086 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.578 9.971 -0.370 1.00 0.00 H new ATOM 397 N MET A 55 75.240 10.054 -2.989 1.00 0.00 N ATOM 398 CA MET A 55 74.490 9.185 -3.936 1.00 0.00 C ATOM 399 C MET A 55 74.371 9.909 -5.278 1.00 0.00 C ATOM 400 O MET A 55 74.668 9.363 -6.323 1.00 0.00 O ATOM 401 CB MET A 55 73.116 8.988 -3.296 1.00 0.00 C ATOM 402 CG MET A 55 72.819 7.493 -3.178 1.00 0.00 C ATOM 403 SD MET A 55 73.246 6.923 -1.514 1.00 0.00 S ATOM 404 CE MET A 55 71.614 7.160 -0.767 1.00 0.00 C ATOM 0 H MET A 55 74.669 10.539 -2.296 1.00 0.00 H new ATOM 0 HA MET A 55 74.978 8.227 -4.119 1.00 0.00 H new ATOM 0 HB2 MET A 55 73.092 9.453 -2.311 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.349 9.476 -3.898 1.00 0.00 H new ATOM 0 HG2 MET A 55 71.765 7.304 -3.379 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.390 6.938 -3.922 1.00 0.00 H new ATOM 0 HE1 MET A 55 71.731 7.477 0.269 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.068 7.924 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 55 71.059 6.222 -0.799 1.00 0.00 H new ATOM 414 N GLU A 56 73.958 11.147 -5.251 1.00 0.00 N ATOM 415 CA GLU A 56 73.839 11.919 -6.517 1.00 0.00 C ATOM 416 C GLU A 56 75.228 12.112 -7.131 1.00 0.00 C ATOM 417 O GLU A 56 75.470 11.731 -8.259 1.00 0.00 O ATOM 418 CB GLU A 56 73.232 13.265 -6.115 1.00 0.00 C ATOM 419 CG GLU A 56 71.812 13.372 -6.675 1.00 0.00 C ATOM 420 CD GLU A 56 71.292 14.798 -6.481 1.00 0.00 C ATOM 421 OE1 GLU A 56 71.678 15.658 -7.254 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.518 15.004 -5.561 1.00 0.00 O ATOM 0 H GLU A 56 73.698 11.656 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 56 73.223 11.412 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.214 13.358 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.847 14.081 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.807 13.113 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.156 12.663 -6.170 1.00 0.00 H new ATOM 429 N LYS A 57 76.147 12.691 -6.399 1.00 0.00 N ATOM 430 CA LYS A 57 77.519 12.892 -6.955 1.00 0.00 C ATOM 431 C LYS A 57 77.958 11.632 -7.699 1.00 0.00 C ATOM 432 O LYS A 57 78.055 11.618 -8.910 1.00 0.00 O ATOM 433 CB LYS A 57 78.423 13.137 -5.745 1.00 0.00 C ATOM 434 CG LYS A 57 78.358 14.613 -5.338 1.00 0.00 C ATOM 435 CD LYS A 57 79.780 15.141 -5.130 1.00 0.00 C ATOM 436 CE LYS A 57 79.938 16.490 -5.832 1.00 0.00 C ATOM 437 NZ LYS A 57 80.059 17.481 -4.726 1.00 0.00 N ATOM 0 H LYS A 57 76.008 13.031 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 57 77.561 13.724 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.110 12.507 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.450 12.862 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.851 15.193 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.778 14.725 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.986 15.248 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.504 14.428 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.820 16.502 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.080 16.709 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.171 18.435 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.202 17.450 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.888 17.250 -4.142 1.00 0.00 H new ATOM 451 N LEU A 58 78.211 10.569 -6.980 1.00 0.00 N ATOM 452 CA LEU A 58 78.626 9.300 -7.637 1.00 0.00 C ATOM 453 C LEU A 58 77.814 9.084 -8.917 1.00 0.00 C ATOM 454 O LEU A 58 78.277 8.477 -9.863 1.00 0.00 O ATOM 455 CB LEU A 58 78.316 8.208 -6.610 1.00 0.00 C ATOM 456 CG LEU A 58 79.589 7.862 -5.837 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.752 8.814 -4.651 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.498 6.422 -5.323 1.00 0.00 C ATOM 0 H LEU A 58 78.147 10.528 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 58 79.677 9.302 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.541 8.549 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.929 7.321 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 58 80.449 7.962 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.661 8.562 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.819 9.839 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.892 8.720 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.405 6.174 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.635 6.325 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.389 5.741 -6.167 1.00 0.00 H new ATOM 470 N LYS A 59 76.604 9.577 -8.953 1.00 0.00 N ATOM 471 CA LYS A 59 75.760 9.407 -10.153 1.00 0.00 C ATOM 472 C LYS A 59 75.983 10.576 -11.124 1.00 0.00 C ATOM 473 O LYS A 59 76.559 10.409 -12.180 1.00 0.00 O ATOM 474 CB LYS A 59 74.351 9.404 -9.578 1.00 0.00 C ATOM 475 CG LYS A 59 73.370 9.929 -10.606 1.00 0.00 C ATOM 476 CD LYS A 59 73.659 9.312 -11.980 1.00 0.00 C ATOM 477 CE LYS A 59 72.381 8.682 -12.537 1.00 0.00 C ATOM 478 NZ LYS A 59 72.836 7.841 -13.681 1.00 0.00 N ATOM 0 H LYS A 59 76.168 10.094 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 59 75.976 8.506 -10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.073 8.393 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.315 10.021 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 59 72.351 9.692 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.441 11.015 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 59 74.027 10.077 -12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 59 74.441 8.558 -11.894 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.875 8.081 -11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.674 9.445 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 72.015 7.374 -14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 73.308 8.441 -14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 73.502 7.120 -13.338 1.00 0.00 H new ATOM 492 N SER A 60 75.516 11.748 -10.769 1.00 0.00 N ATOM 493 CA SER A 60 75.677 12.945 -11.656 1.00 0.00 C ATOM 494 C SER A 60 76.974 12.864 -12.462 1.00 0.00 C ATOM 495 O SER A 60 76.957 12.748 -13.671 1.00 0.00 O ATOM 496 CB SER A 60 75.723 14.144 -10.708 1.00 0.00 C ATOM 497 OG SER A 60 75.347 13.737 -9.401 1.00 0.00 O ATOM 0 H SER A 60 75.025 11.929 -9.894 1.00 0.00 H new ATOM 0 HA SER A 60 74.864 13.016 -12.378 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.727 14.569 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.052 14.926 -11.063 1.00 0.00 H new ATOM 0 HG SER A 60 76.013 13.110 -9.050 1.00 0.00 H new ATOM 503 N GLY A 61 78.100 12.919 -11.805 1.00 0.00 N ATOM 504 CA GLY A 61 79.386 12.839 -12.549 1.00 0.00 C ATOM 505 C GLY A 61 80.512 13.492 -11.741 1.00 0.00 C ATOM 506 O GLY A 61 81.420 14.075 -12.299 1.00 0.00 O ATOM 0 H GLY A 61 78.184 13.015 -10.793 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.632 11.797 -12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.287 13.336 -13.514 1.00 0.00 H new ATOM 510 N MET A 62 80.481 13.394 -10.439 1.00 0.00 N ATOM 511 CA MET A 62 81.579 14.006 -9.636 1.00 0.00 C ATOM 512 C MET A 62 82.646 12.950 -9.375 1.00 0.00 C ATOM 513 O MET A 62 82.847 12.047 -10.163 1.00 0.00 O ATOM 514 CB MET A 62 80.965 14.455 -8.301 1.00 0.00 C ATOM 515 CG MET A 62 79.476 14.768 -8.454 1.00 0.00 C ATOM 516 SD MET A 62 79.241 16.066 -9.687 1.00 0.00 S ATOM 517 CE MET A 62 77.489 16.350 -9.345 1.00 0.00 C ATOM 0 H MET A 62 79.753 12.923 -9.902 1.00 0.00 H new ATOM 0 HA MET A 62 82.032 14.849 -10.158 1.00 0.00 H new ATOM 0 HB2 MET A 62 81.100 13.672 -7.554 1.00 0.00 H new ATOM 0 HB3 MET A 62 81.489 15.338 -7.935 1.00 0.00 H new ATOM 0 HG2 MET A 62 78.936 13.869 -8.752 1.00 0.00 H new ATOM 0 HG3 MET A 62 79.062 15.085 -7.497 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.950 16.471 -10.285 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.082 15.498 -8.800 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.377 17.252 -8.744 1.00 0.00 H new ATOM 527 N ARG A 63 83.317 13.041 -8.267 1.00 0.00 N ATOM 528 CA ARG A 63 84.349 12.029 -7.948 1.00 0.00 C ATOM 529 C ARG A 63 83.753 10.979 -7.034 1.00 0.00 C ATOM 530 O ARG A 63 82.816 11.238 -6.316 1.00 0.00 O ATOM 531 CB ARG A 63 85.437 12.763 -7.180 1.00 0.00 C ATOM 532 CG ARG A 63 85.644 14.156 -7.748 1.00 0.00 C ATOM 533 CD ARG A 63 84.847 15.176 -6.919 1.00 0.00 C ATOM 534 NE ARG A 63 85.848 16.206 -6.511 1.00 0.00 N ATOM 535 CZ ARG A 63 86.157 17.178 -7.327 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.330 18.173 -7.505 1.00 0.00 N ATOM 537 NH2 ARG A 63 87.296 17.160 -7.964 1.00 0.00 N ATOM 0 H ARG A 63 83.194 13.774 -7.568 1.00 0.00 H new ATOM 0 HA ARG A 63 84.728 11.551 -8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 63 85.164 12.831 -6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 63 86.369 12.201 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.704 14.411 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 63 85.321 14.187 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 63 84.042 15.618 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.387 14.706 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 63 86.291 16.151 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.440 18.192 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.574 18.931 -8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.946 16.386 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 63 87.536 17.920 -8.601 1.00 0.00 H new ATOM 551 N PHE A 64 84.304 9.813 -7.024 1.00 0.00 N ATOM 552 CA PHE A 64 83.779 8.775 -6.114 1.00 0.00 C ATOM 553 C PHE A 64 84.521 8.860 -4.783 1.00 0.00 C ATOM 554 O PHE A 64 83.978 8.558 -3.738 1.00 0.00 O ATOM 555 CB PHE A 64 84.074 7.444 -6.808 1.00 0.00 C ATOM 556 CG PHE A 64 82.968 7.121 -7.781 1.00 0.00 C ATOM 557 CD1 PHE A 64 83.038 7.585 -9.101 1.00 0.00 C ATOM 558 CD2 PHE A 64 81.875 6.352 -7.367 1.00 0.00 C ATOM 559 CE1 PHE A 64 82.013 7.279 -10.005 1.00 0.00 C ATOM 560 CE2 PHE A 64 80.851 6.046 -8.271 1.00 0.00 C ATOM 561 CZ PHE A 64 80.920 6.510 -9.590 1.00 0.00 C ATOM 0 H PHE A 64 85.094 9.531 -7.604 1.00 0.00 H new ATOM 0 HA PHE A 64 82.714 8.890 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.028 7.500 -7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.164 6.649 -6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 64 83.882 8.178 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 64 81.821 5.994 -6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 64 82.066 7.637 -11.023 1.00 0.00 H new ATOM 0 HE2 PHE A 64 80.008 5.452 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.130 6.274 -10.287 1.00 0.00 H new ATOM 571 N ASN A 65 85.768 9.262 -4.813 1.00 0.00 N ATOM 572 CA ASN A 65 86.542 9.340 -3.541 1.00 0.00 C ATOM 573 C ASN A 65 86.438 10.715 -2.877 1.00 0.00 C ATOM 574 O ASN A 65 86.421 10.810 -1.674 1.00 0.00 O ATOM 575 CB ASN A 65 87.978 9.005 -3.911 1.00 0.00 C ATOM 576 CG ASN A 65 88.583 10.146 -4.730 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.781 11.234 -4.226 1.00 0.00 O ATOM 578 ND2 ASN A 65 88.886 9.942 -5.982 1.00 0.00 N ATOM 0 H ASN A 65 86.276 9.536 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 65 86.144 8.643 -2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.567 8.841 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.009 8.078 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 65 89.289 10.696 -6.538 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.720 9.029 -6.405 1.00 0.00 H new ATOM 585 N GLU A 66 86.364 11.787 -3.622 1.00 0.00 N ATOM 586 CA GLU A 66 86.251 13.111 -2.944 1.00 0.00 C ATOM 587 C GLU A 66 85.008 13.065 -2.071 1.00 0.00 C ATOM 588 O GLU A 66 85.067 13.223 -0.864 1.00 0.00 O ATOM 589 CB GLU A 66 86.116 14.149 -4.052 1.00 0.00 C ATOM 590 CG GLU A 66 87.391 14.155 -4.896 1.00 0.00 C ATOM 591 CD GLU A 66 88.266 15.344 -4.494 1.00 0.00 C ATOM 592 OE1 GLU A 66 87.750 16.448 -4.455 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.439 15.130 -4.232 1.00 0.00 O ATOM 0 H GLU A 66 86.376 11.806 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 66 87.109 13.355 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.253 13.920 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.946 15.136 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.938 13.223 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.138 14.218 -5.954 1.00 0.00 H new ATOM 600 N VAL A 67 83.879 12.784 -2.658 1.00 0.00 N ATOM 601 CA VAL A 67 82.665 12.656 -1.832 1.00 0.00 C ATOM 602 C VAL A 67 82.999 11.698 -0.701 1.00 0.00 C ATOM 603 O VAL A 67 83.062 12.070 0.448 1.00 0.00 O ATOM 604 CB VAL A 67 81.580 12.040 -2.726 1.00 0.00 C ATOM 605 CG1 VAL A 67 80.957 13.121 -3.588 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.148 10.949 -3.624 1.00 0.00 C ATOM 0 H VAL A 67 83.752 12.641 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 67 82.325 13.610 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 67 80.827 11.592 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.187 12.682 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.510 13.883 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 67 81.726 13.576 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.351 10.536 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 67 82.923 11.371 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.577 10.158 -3.009 1.00 0.00 H new ATOM 616 N ALA A 68 83.246 10.462 -1.039 1.00 0.00 N ATOM 617 CA ALA A 68 83.598 9.457 -0.021 1.00 0.00 C ATOM 618 C ALA A 68 84.570 10.061 0.972 1.00 0.00 C ATOM 619 O ALA A 68 84.527 9.771 2.144 1.00 0.00 O ATOM 620 CB ALA A 68 84.265 8.334 -0.802 1.00 0.00 C ATOM 0 H ALA A 68 83.216 10.110 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 68 82.734 9.105 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 68 84.560 7.540 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 68 83.565 7.937 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.148 8.720 -1.312 1.00 0.00 H new ATOM 626 N ALA A 69 85.444 10.918 0.518 1.00 0.00 N ATOM 627 CA ALA A 69 86.395 11.545 1.464 1.00 0.00 C ATOM 628 C ALA A 69 85.603 11.960 2.688 1.00 0.00 C ATOM 629 O ALA A 69 85.697 11.348 3.734 1.00 0.00 O ATOM 630 CB ALA A 69 86.976 12.759 0.739 1.00 0.00 C ATOM 0 H ALA A 69 85.536 11.205 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 69 87.202 10.883 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.688 13.265 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.483 12.432 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.171 13.446 0.478 1.00 0.00 H new ATOM 636 N GLN A 70 84.781 12.958 2.567 1.00 0.00 N ATOM 637 CA GLN A 70 83.959 13.323 3.742 1.00 0.00 C ATOM 638 C GLN A 70 82.627 12.606 3.732 1.00 0.00 C ATOM 639 O GLN A 70 82.123 12.187 4.753 1.00 0.00 O ATOM 640 CB GLN A 70 83.741 14.813 3.715 1.00 0.00 C ATOM 641 CG GLN A 70 84.412 15.358 4.965 1.00 0.00 C ATOM 642 CD GLN A 70 83.609 14.907 6.208 1.00 0.00 C ATOM 643 OE1 GLN A 70 82.964 15.722 6.837 1.00 0.00 O ATOM 644 NE2 GLN A 70 83.609 13.640 6.601 1.00 0.00 N ATOM 0 H GLN A 70 84.645 13.523 1.729 1.00 0.00 H new ATOM 0 HA GLN A 70 84.481 13.025 4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.173 15.254 2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 70 82.677 15.052 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.438 14.997 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.459 16.446 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 70 84.146 12.945 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.072 13.361 7.422 1.00 0.00 H new ATOM 653 N TYR A 71 82.034 12.497 2.589 1.00 0.00 N ATOM 654 CA TYR A 71 80.715 11.844 2.514 1.00 0.00 C ATOM 655 C TYR A 71 80.803 10.496 3.222 1.00 0.00 C ATOM 656 O TYR A 71 79.855 10.041 3.832 1.00 0.00 O ATOM 657 CB TYR A 71 80.413 11.706 1.021 1.00 0.00 C ATOM 658 CG TYR A 71 80.266 13.082 0.372 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.746 14.261 0.995 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.630 13.176 -0.871 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.581 15.500 0.363 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.468 14.419 -1.493 1.00 0.00 C ATOM 663 CZ TYR A 71 79.943 15.579 -0.876 1.00 0.00 C ATOM 664 OH TYR A 71 79.779 16.804 -1.491 1.00 0.00 O ATOM 0 H TYR A 71 82.407 12.833 1.701 1.00 0.00 H new ATOM 0 HA TYR A 71 79.917 12.405 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.214 11.151 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.497 11.132 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.238 14.204 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.262 12.283 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.949 16.398 0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.975 14.482 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 71 79.084 16.734 -2.179 1.00 0.00 H new ATOM 674 N SER A 72 81.951 9.869 3.187 1.00 0.00 N ATOM 675 CA SER A 72 82.090 8.569 3.911 1.00 0.00 C ATOM 676 C SER A 72 82.248 8.842 5.414 1.00 0.00 C ATOM 677 O SER A 72 82.086 7.959 6.234 1.00 0.00 O ATOM 678 CB SER A 72 83.353 7.889 3.378 1.00 0.00 C ATOM 679 OG SER A 72 83.305 7.814 1.964 1.00 0.00 O ATOM 0 H SER A 72 82.785 10.193 2.698 1.00 0.00 H new ATOM 0 HA SER A 72 81.215 7.937 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 72 84.236 8.447 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.443 6.888 3.800 1.00 0.00 H new ATOM 0 HG SER A 72 83.902 7.101 1.654 1.00 0.00 H new ATOM 685 N GLU A 73 82.561 10.061 5.772 1.00 0.00 N ATOM 686 CA GLU A 73 82.734 10.418 7.205 1.00 0.00 C ATOM 687 C GLU A 73 83.442 9.285 7.935 1.00 0.00 C ATOM 688 O GLU A 73 83.092 8.911 9.036 1.00 0.00 O ATOM 689 CB GLU A 73 81.321 10.624 7.723 1.00 0.00 C ATOM 690 CG GLU A 73 81.340 11.722 8.778 1.00 0.00 C ATOM 691 CD GLU A 73 81.354 11.094 10.173 1.00 0.00 C ATOM 692 OE1 GLU A 73 80.861 9.987 10.310 1.00 0.00 O ATOM 693 OE2 GLU A 73 81.859 11.734 11.083 1.00 0.00 O ATOM 0 H GLU A 73 82.705 10.832 5.120 1.00 0.00 H new ATOM 0 HA GLU A 73 83.344 11.309 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.655 10.898 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.937 9.697 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 73 82.218 12.354 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 73 80.466 12.363 8.666 1.00 0.00 H new ATOM 700 N ASP A 74 84.441 8.745 7.302 1.00 0.00 N ATOM 701 CA ASP A 74 85.224 7.617 7.897 1.00 0.00 C ATOM 702 C ASP A 74 86.009 6.908 6.791 1.00 0.00 C ATOM 703 O ASP A 74 85.472 6.100 6.060 1.00 0.00 O ATOM 704 CB ASP A 74 84.190 6.667 8.505 1.00 0.00 C ATOM 705 CG ASP A 74 84.220 6.787 10.030 1.00 0.00 C ATOM 706 OD1 ASP A 74 85.308 6.852 10.578 1.00 0.00 O ATOM 707 OD2 ASP A 74 83.154 6.811 10.624 1.00 0.00 O ATOM 0 H ASP A 74 84.759 9.040 6.379 1.00 0.00 H new ATOM 0 HA ASP A 74 85.936 7.960 8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 74 83.195 6.908 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 74 84.404 5.641 8.206 1.00 0.00 H new ATOM 712 N LYS A 75 87.271 7.209 6.651 1.00 0.00 N ATOM 713 CA LYS A 75 88.076 6.556 5.577 1.00 0.00 C ATOM 714 C LYS A 75 87.570 7.013 4.207 1.00 0.00 C ATOM 715 O LYS A 75 86.387 7.212 4.010 1.00 0.00 O ATOM 716 CB LYS A 75 87.851 5.054 5.763 1.00 0.00 C ATOM 717 CG LYS A 75 89.201 4.336 5.782 1.00 0.00 C ATOM 718 CD LYS A 75 89.908 4.545 4.442 1.00 0.00 C ATOM 719 CE LYS A 75 90.293 3.186 3.851 1.00 0.00 C ATOM 720 NZ LYS A 75 91.404 2.696 4.714 1.00 0.00 N ATOM 0 H LYS A 75 87.779 7.876 7.231 1.00 0.00 H new ATOM 0 HA LYS A 75 89.134 6.811 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 75 87.315 4.868 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 75 87.231 4.665 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 75 89.818 4.720 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 75 89.056 3.272 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 75 89.255 5.081 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 75 90.798 5.159 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 75 89.449 2.496 3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 75 90.611 3.282 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 91.880 1.898 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 92.088 3.464 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 91.021 2.384 5.629 1.00 0.00 H new ATOM 734 N ALA A 76 88.449 7.194 3.262 1.00 0.00 N ATOM 735 CA ALA A 76 88.002 7.649 1.915 1.00 0.00 C ATOM 736 C ALA A 76 88.480 6.671 0.825 1.00 0.00 C ATOM 737 O ALA A 76 87.958 5.583 0.693 1.00 0.00 O ATOM 738 CB ALA A 76 88.639 9.026 1.740 1.00 0.00 C ATOM 0 H ALA A 76 89.453 7.048 3.362 1.00 0.00 H new ATOM 0 HA ALA A 76 86.916 7.690 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.360 9.435 0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.289 9.692 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 76 89.724 8.935 1.797 1.00 0.00 H new ATOM 744 N ARG A 77 89.464 7.046 0.041 1.00 0.00 N ATOM 745 CA ARG A 77 89.955 6.129 -1.033 1.00 0.00 C ATOM 746 C ARG A 77 88.769 5.574 -1.825 1.00 0.00 C ATOM 747 O ARG A 77 88.144 4.617 -1.418 1.00 0.00 O ATOM 748 CB ARG A 77 90.682 5.006 -0.294 1.00 0.00 C ATOM 749 CG ARG A 77 92.190 5.254 -0.348 1.00 0.00 C ATOM 750 CD ARG A 77 92.887 4.032 -0.949 1.00 0.00 C ATOM 751 NE ARG A 77 93.804 4.586 -1.983 1.00 0.00 N ATOM 752 CZ ARG A 77 95.011 4.107 -2.109 1.00 0.00 C ATOM 753 NH1 ARG A 77 95.194 2.817 -2.196 1.00 0.00 N ATOM 754 NH2 ARG A 77 96.033 4.916 -2.147 1.00 0.00 N ATOM 0 H ARG A 77 89.945 7.943 0.099 1.00 0.00 H new ATOM 0 HA ARG A 77 90.608 6.633 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 77 90.347 4.961 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 77 90.444 4.044 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 77 92.402 6.139 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 77 92.573 5.449 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 77 93.437 3.477 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 77 92.166 3.342 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 77 93.488 5.340 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 77 94.394 2.185 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 77 96.137 2.441 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 77 95.889 5.923 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 77 96.977 4.541 -2.245 1.00 0.00 H new ATOM 768 N GLN A 78 88.449 6.187 -2.939 1.00 0.00 N ATOM 769 CA GLN A 78 87.284 5.725 -3.760 1.00 0.00 C ATOM 770 C GLN A 78 86.007 5.829 -2.932 1.00 0.00 C ATOM 771 O GLN A 78 85.159 6.659 -3.178 1.00 0.00 O ATOM 772 CB GLN A 78 87.557 4.264 -4.127 1.00 0.00 C ATOM 773 CG GLN A 78 86.259 3.626 -4.645 1.00 0.00 C ATOM 774 CD GLN A 78 85.567 2.878 -3.504 1.00 0.00 C ATOM 775 OE1 GLN A 78 86.106 1.932 -2.970 1.00 0.00 O ATOM 776 NE2 GLN A 78 84.386 3.268 -3.103 1.00 0.00 N ATOM 0 H GLN A 78 88.947 6.992 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 78 87.159 6.333 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 78 88.335 4.206 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 78 87.923 3.719 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 78 85.597 4.395 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 78 86.480 2.940 -5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.932 4.064 -3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 78 83.918 2.777 -2.341 1.00 0.00 H new ATOM 785 N GLY A 79 85.873 4.997 -1.944 1.00 0.00 N ATOM 786 CA GLY A 79 84.665 5.048 -1.090 1.00 0.00 C ATOM 787 C GLY A 79 84.800 4.025 0.035 1.00 0.00 C ATOM 788 O GLY A 79 83.923 3.217 0.266 1.00 0.00 O ATOM 0 H GLY A 79 86.553 4.280 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 79 84.541 6.048 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 79 83.776 4.837 -1.684 1.00 0.00 H new ATOM 792 N GLY A 80 85.900 4.051 0.738 1.00 0.00 N ATOM 793 CA GLY A 80 86.101 3.080 1.847 1.00 0.00 C ATOM 794 C GLY A 80 86.510 1.729 1.262 1.00 0.00 C ATOM 795 O GLY A 80 86.149 0.686 1.772 1.00 0.00 O ATOM 0 H GLY A 80 86.669 4.705 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 80 86.870 3.442 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 80 85.184 2.976 2.427 1.00 0.00 H new ATOM 799 N ASP A 81 87.258 1.739 0.190 1.00 0.00 N ATOM 800 CA ASP A 81 87.689 0.456 -0.434 1.00 0.00 C ATOM 801 C ASP A 81 88.481 -0.387 0.567 1.00 0.00 C ATOM 802 O ASP A 81 89.694 -0.447 0.523 1.00 0.00 O ATOM 803 CB ASP A 81 88.581 0.869 -1.605 1.00 0.00 C ATOM 804 CG ASP A 81 89.829 1.572 -1.071 1.00 0.00 C ATOM 805 OD1 ASP A 81 89.834 1.923 0.097 1.00 0.00 O ATOM 806 OD2 ASP A 81 90.761 1.749 -1.840 1.00 0.00 O ATOM 0 H ASP A 81 87.589 2.582 -0.280 1.00 0.00 H new ATOM 0 HA ASP A 81 86.841 -0.149 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 81 88.865 -0.008 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 81 88.035 1.533 -2.275 1.00 0.00 H new ATOM 811 N LEU A 82 87.803 -1.046 1.466 1.00 0.00 N ATOM 812 CA LEU A 82 88.519 -1.889 2.464 1.00 0.00 C ATOM 813 C LEU A 82 89.357 -2.945 1.742 1.00 0.00 C ATOM 814 O LEU A 82 90.372 -3.394 2.236 1.00 0.00 O ATOM 815 CB LEU A 82 87.414 -2.549 3.290 1.00 0.00 C ATOM 816 CG LEU A 82 87.019 -1.625 4.444 1.00 0.00 C ATOM 817 CD1 LEU A 82 85.986 -2.327 5.328 1.00 0.00 C ATOM 818 CD2 LEU A 82 88.259 -1.288 5.276 1.00 0.00 C ATOM 0 H LEU A 82 86.787 -1.037 1.553 1.00 0.00 H new ATOM 0 HA LEU A 82 89.200 -1.311 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.548 -2.753 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.759 -3.507 3.679 1.00 0.00 H new ATOM 0 HG LEU A 82 86.590 -0.706 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 82 85.704 -1.670 6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 82 85.103 -2.566 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 82 86.414 -3.246 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 82 87.978 -0.630 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 82 88.689 -2.206 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 82 88.995 -0.788 4.646 1.00 0.00 H new ATOM 830 N GLY A 83 88.940 -3.341 0.570 1.00 0.00 N ATOM 831 CA GLY A 83 89.710 -4.362 -0.191 1.00 0.00 C ATOM 832 C GLY A 83 89.113 -5.749 0.060 1.00 0.00 C ATOM 833 O GLY A 83 88.340 -5.944 0.976 1.00 0.00 O ATOM 0 H GLY A 83 88.097 -3.000 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.685 -4.132 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.756 -4.345 0.114 1.00 0.00 H new ATOM 837 N TRP A 84 89.473 -6.711 -0.747 1.00 0.00 N ATOM 838 CA TRP A 84 88.936 -8.090 -0.561 1.00 0.00 C ATOM 839 C TRP A 84 88.890 -8.440 0.930 1.00 0.00 C ATOM 840 O TRP A 84 89.906 -8.491 1.594 1.00 0.00 O ATOM 841 CB TRP A 84 89.927 -8.988 -1.305 1.00 0.00 C ATOM 842 CG TRP A 84 89.546 -9.059 -2.743 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.033 -8.249 -3.695 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.618 -9.964 -3.405 1.00 0.00 C ATOM 845 NE1 TRP A 84 89.462 -8.585 -4.910 1.00 0.00 N ATOM 846 CE2 TRP A 84 88.579 -9.640 -4.782 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.812 -11.022 -2.951 1.00 0.00 C ATOM 848 CZ2 TRP A 84 87.769 -10.340 -5.676 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.995 -11.729 -3.848 1.00 0.00 C ATOM 850 CH2 TRP A 84 86.972 -11.388 -5.207 1.00 0.00 C ATOM 0 H TRP A 84 90.118 -6.601 -1.529 1.00 0.00 H new ATOM 0 HA TRP A 84 87.919 -8.204 -0.938 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.938 -8.594 -1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.929 -9.987 -0.868 1.00 0.00 H new ATOM 0 HD1 TRP A 84 90.755 -7.461 -3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 84 89.667 -8.113 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.821 -11.293 -1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 87.758 -10.074 -6.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.380 -12.541 -3.488 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.339 -11.934 -5.891 1.00 0.00 H new ATOM 861 N MET A 85 87.719 -8.669 1.465 1.00 0.00 N ATOM 862 CA MET A 85 87.620 -8.999 2.916 1.00 0.00 C ATOM 863 C MET A 85 86.651 -10.163 3.138 1.00 0.00 C ATOM 864 O MET A 85 85.613 -10.250 2.509 1.00 0.00 O ATOM 865 CB MET A 85 87.088 -7.727 3.575 1.00 0.00 C ATOM 866 CG MET A 85 88.227 -7.014 4.304 1.00 0.00 C ATOM 867 SD MET A 85 88.509 -7.810 5.906 1.00 0.00 S ATOM 868 CE MET A 85 90.222 -7.272 6.129 1.00 0.00 C ATOM 0 H MET A 85 86.832 -8.642 0.962 1.00 0.00 H new ATOM 0 HA MET A 85 88.579 -9.307 3.332 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.656 -7.068 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 85 86.292 -7.974 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.136 -7.049 3.703 1.00 0.00 H new ATOM 0 HG3 MET A 85 87.980 -5.962 4.447 1.00 0.00 H new ATOM 0 HE1 MET A 85 90.604 -7.658 7.074 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.832 -7.651 5.309 1.00 0.00 H new ATOM 0 HE3 MET A 85 90.263 -6.183 6.139 1.00 0.00 H new ATOM 878 N THR A 86 86.987 -11.056 4.030 1.00 0.00 N ATOM 879 CA THR A 86 86.096 -12.220 4.303 1.00 0.00 C ATOM 880 C THR A 86 85.388 -12.063 5.635 1.00 0.00 C ATOM 881 O THR A 86 85.872 -11.441 6.560 1.00 0.00 O ATOM 882 CB THR A 86 86.975 -13.454 4.343 1.00 0.00 C ATOM 883 OG1 THR A 86 86.198 -14.567 4.762 1.00 0.00 O ATOM 884 CG2 THR A 86 88.111 -13.227 5.328 1.00 0.00 C ATOM 0 H THR A 86 87.844 -11.029 4.583 1.00 0.00 H new ATOM 0 HA THR A 86 85.333 -12.295 3.528 1.00 0.00 H new ATOM 0 HB THR A 86 87.386 -13.649 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 86 85.826 -15.020 3.977 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.747 -14.112 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 86 88.702 -12.368 5.011 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.700 -13.038 6.320 1.00 0.00 H new ATOM 892 N ARG A 87 84.242 -12.636 5.717 1.00 0.00 N ATOM 893 CA ARG A 87 83.437 -12.563 6.971 1.00 0.00 C ATOM 894 C ARG A 87 84.338 -12.780 8.191 1.00 0.00 C ATOM 895 O ARG A 87 84.068 -12.287 9.269 1.00 0.00 O ATOM 896 CB ARG A 87 82.417 -13.696 6.852 1.00 0.00 C ATOM 897 CG ARG A 87 81.038 -13.189 7.280 1.00 0.00 C ATOM 898 CD ARG A 87 79.955 -13.965 6.527 1.00 0.00 C ATOM 899 NE ARG A 87 79.212 -14.708 7.582 1.00 0.00 N ATOM 900 CZ ARG A 87 79.858 -15.476 8.417 1.00 0.00 C ATOM 901 NH1 ARG A 87 80.778 -16.291 7.976 1.00 0.00 N ATOM 902 NH2 ARG A 87 79.584 -15.430 9.692 1.00 0.00 N ATOM 0 H ARG A 87 83.808 -13.166 4.961 1.00 0.00 H new ATOM 0 HA ARG A 87 82.957 -11.593 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.380 -14.060 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.717 -14.537 7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.910 -13.314 8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.949 -12.123 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 87 79.296 -13.292 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.392 -14.647 5.797 1.00 0.00 H new ATOM 0 HE ARG A 87 78.199 -14.617 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 87 80.992 -16.327 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 87 81.283 -16.891 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 87 78.865 -14.794 10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 87 80.089 -16.030 10.344 1.00 0.00 H new ATOM 916 N GLY A 88 85.403 -13.515 8.030 1.00 0.00 N ATOM 917 CA GLY A 88 86.319 -13.764 9.180 1.00 0.00 C ATOM 918 C GLY A 88 86.548 -12.459 9.944 1.00 0.00 C ATOM 919 O GLY A 88 86.781 -12.459 11.136 1.00 0.00 O ATOM 0 H GLY A 88 85.679 -13.954 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 88 85.891 -14.515 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 88 87.270 -14.159 8.822 1.00 0.00 H new ATOM 923 N SER A 89 86.486 -11.344 9.268 1.00 0.00 N ATOM 924 CA SER A 89 86.701 -10.041 9.960 1.00 0.00 C ATOM 925 C SER A 89 86.051 -8.904 9.167 1.00 0.00 C ATOM 926 O SER A 89 86.605 -8.406 8.207 1.00 0.00 O ATOM 927 CB SER A 89 88.220 -9.863 10.003 1.00 0.00 C ATOM 928 OG SER A 89 88.706 -10.267 11.274 1.00 0.00 O ATOM 0 H SER A 89 86.296 -11.279 8.268 1.00 0.00 H new ATOM 0 HA SER A 89 86.258 -10.025 10.956 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.689 -10.455 9.217 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.481 -8.821 9.816 1.00 0.00 H new ATOM 0 HG SER A 89 88.203 -11.049 11.583 1.00 0.00 H new ATOM 934 N MET A 90 84.879 -8.488 9.564 1.00 0.00 N ATOM 935 CA MET A 90 84.194 -7.382 8.836 1.00 0.00 C ATOM 936 C MET A 90 83.111 -6.758 9.722 1.00 0.00 C ATOM 937 O MET A 90 82.059 -6.371 9.253 1.00 0.00 O ATOM 938 CB MET A 90 83.574 -8.037 7.603 1.00 0.00 C ATOM 939 CG MET A 90 83.373 -6.981 6.513 1.00 0.00 C ATOM 940 SD MET A 90 83.442 -7.772 4.886 1.00 0.00 S ATOM 941 CE MET A 90 82.018 -6.923 4.160 1.00 0.00 C ATOM 0 H MET A 90 84.366 -8.866 10.361 1.00 0.00 H new ATOM 0 HA MET A 90 84.880 -6.580 8.563 1.00 0.00 H new ATOM 0 HB2 MET A 90 84.221 -8.834 7.237 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.619 -8.495 7.862 1.00 0.00 H new ATOM 0 HG2 MET A 90 82.413 -6.483 6.647 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.143 -6.213 6.589 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.067 -6.994 3.073 1.00 0.00 H new ATOM 0 HE2 MET A 90 81.098 -7.389 4.513 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.030 -5.874 4.456 1.00 0.00 H new ATOM 951 N VAL A 91 83.366 -6.655 10.997 1.00 0.00 N ATOM 952 CA VAL A 91 82.360 -6.051 11.922 1.00 0.00 C ATOM 953 C VAL A 91 81.158 -6.991 12.091 1.00 0.00 C ATOM 954 O VAL A 91 81.301 -8.198 12.106 1.00 0.00 O ATOM 955 CB VAL A 91 81.932 -4.727 11.268 1.00 0.00 C ATOM 956 CG1 VAL A 91 81.426 -3.767 12.347 1.00 0.00 C ATOM 957 CG2 VAL A 91 83.123 -4.084 10.549 1.00 0.00 C ATOM 0 H VAL A 91 84.230 -6.964 11.442 1.00 0.00 H new ATOM 0 HA VAL A 91 82.773 -5.886 12.917 1.00 0.00 H new ATOM 0 HB VAL A 91 81.141 -4.930 10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 91 81.122 -2.828 11.885 1.00 0.00 H new ATOM 0 HG12 VAL A 91 80.573 -4.212 12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 91 82.222 -3.576 13.067 1.00 0.00 H new ATOM 0 HG21 VAL A 91 82.808 -3.147 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 91 83.918 -3.886 11.268 1.00 0.00 H new ATOM 0 HG23 VAL A 91 83.491 -4.761 9.778 1.00 0.00 H new ATOM 967 N GLY A 92 79.979 -6.447 12.227 1.00 0.00 N ATOM 968 CA GLY A 92 78.773 -7.305 12.405 1.00 0.00 C ATOM 969 C GLY A 92 77.726 -6.948 11.346 1.00 0.00 C ATOM 970 O GLY A 92 77.543 -7.677 10.392 1.00 0.00 O ATOM 0 H GLY A 92 79.799 -5.443 12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 92 79.047 -8.357 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 92 78.358 -7.164 13.403 1.00 0.00 H new ATOM 974 N PRO A 93 77.063 -5.832 11.542 1.00 0.00 N ATOM 975 CA PRO A 93 76.028 -5.387 10.583 1.00 0.00 C ATOM 976 C PRO A 93 76.625 -5.257 9.181 1.00 0.00 C ATOM 977 O PRO A 93 76.001 -5.603 8.197 1.00 0.00 O ATOM 978 CB PRO A 93 75.608 -4.025 11.144 1.00 0.00 C ATOM 979 CG PRO A 93 76.425 -3.745 12.422 1.00 0.00 C ATOM 980 CD PRO A 93 77.314 -4.960 12.717 1.00 0.00 C ATOM 0 HA PRO A 93 75.191 -6.078 10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.781 -3.242 10.405 1.00 0.00 H new ATOM 0 HB3 PRO A 93 74.541 -4.021 11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 93 77.037 -2.853 12.291 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.758 -3.553 13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 93 78.365 -4.684 12.800 1.00 0.00 H new ATOM 0 HD3 PRO A 93 77.038 -5.448 13.652 1.00 0.00 H new ATOM 988 N PHE A 94 77.833 -4.774 9.079 1.00 0.00 N ATOM 989 CA PHE A 94 78.463 -4.641 7.736 1.00 0.00 C ATOM 990 C PHE A 94 78.291 -5.948 6.960 1.00 0.00 C ATOM 991 O PHE A 94 77.989 -5.951 5.783 1.00 0.00 O ATOM 992 CB PHE A 94 79.943 -4.371 8.014 1.00 0.00 C ATOM 993 CG PHE A 94 80.295 -2.972 7.570 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.397 -1.920 7.789 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.521 -2.725 6.942 1.00 0.00 C ATOM 996 CE1 PHE A 94 79.724 -0.623 7.378 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.849 -1.427 6.531 1.00 0.00 C ATOM 998 CZ PHE A 94 80.951 -0.376 6.749 1.00 0.00 C ATOM 0 H PHE A 94 78.408 -4.467 9.864 1.00 0.00 H new ATOM 0 HA PHE A 94 78.016 -3.846 7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 94 80.151 -4.489 9.077 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.561 -5.097 7.486 1.00 0.00 H new ATOM 0 HD1 PHE A 94 78.452 -2.110 8.275 1.00 0.00 H new ATOM 0 HD2 PHE A 94 82.215 -3.536 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 94 79.030 0.188 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.795 -1.237 6.046 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.204 0.625 6.432 1.00 0.00 H new ATOM 1008 N GLN A 95 78.477 -7.061 7.617 1.00 0.00 N ATOM 1009 CA GLN A 95 78.320 -8.372 6.924 1.00 0.00 C ATOM 1010 C GLN A 95 76.837 -8.673 6.688 1.00 0.00 C ATOM 1011 O GLN A 95 76.427 -9.010 5.594 1.00 0.00 O ATOM 1012 CB GLN A 95 78.921 -9.403 7.879 1.00 0.00 C ATOM 1013 CG GLN A 95 80.445 -9.308 7.848 1.00 0.00 C ATOM 1014 CD GLN A 95 81.029 -10.156 8.981 1.00 0.00 C ATOM 1015 OE1 GLN A 95 82.109 -9.882 9.467 1.00 0.00 O ATOM 1016 NE2 GLN A 95 80.355 -11.181 9.426 1.00 0.00 N ATOM 0 H GLN A 95 78.731 -7.119 8.603 1.00 0.00 H new ATOM 0 HA GLN A 95 78.809 -8.380 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 95 78.557 -9.230 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.604 -10.406 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 95 80.823 -9.656 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 95 80.758 -8.270 7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 95 79.449 -11.411 9.019 1.00 0.00 H new ATOM 0 HE22 GLN A 95 80.734 -11.752 10.181 1.00 0.00 H new ATOM 1025 N GLU A 96 76.032 -8.560 7.709 1.00 0.00 N ATOM 1026 CA GLU A 96 74.576 -8.846 7.553 1.00 0.00 C ATOM 1027 C GLU A 96 74.008 -8.112 6.334 1.00 0.00 C ATOM 1028 O GLU A 96 73.077 -8.570 5.701 1.00 0.00 O ATOM 1029 CB GLU A 96 73.935 -8.321 8.838 1.00 0.00 C ATOM 1030 CG GLU A 96 73.823 -9.459 9.853 1.00 0.00 C ATOM 1031 CD GLU A 96 72.784 -9.095 10.916 1.00 0.00 C ATOM 1032 OE1 GLU A 96 73.160 -8.471 11.894 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.631 -9.446 10.733 1.00 0.00 O ATOM 0 H GLU A 96 76.320 -8.281 8.647 1.00 0.00 H new ATOM 0 HA GLU A 96 74.381 -9.907 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.534 -7.509 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.948 -7.912 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.536 -10.382 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.791 -9.639 10.322 1.00 0.00 H new ATOM 1040 N ALA A 97 74.554 -6.974 6.003 1.00 0.00 N ATOM 1041 CA ALA A 97 74.037 -6.215 4.828 1.00 0.00 C ATOM 1042 C ALA A 97 74.775 -6.627 3.553 1.00 0.00 C ATOM 1043 O ALA A 97 74.288 -7.414 2.765 1.00 0.00 O ATOM 1044 CB ALA A 97 74.313 -4.747 5.154 1.00 0.00 C ATOM 0 H ALA A 97 75.334 -6.537 6.494 1.00 0.00 H new ATOM 0 HA ALA A 97 72.978 -6.406 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.960 -4.120 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.791 -4.474 6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 97 75.385 -4.599 5.289 1.00 0.00 H new ATOM 1050 N ALA A 98 75.943 -6.090 3.342 1.00 0.00 N ATOM 1051 CA ALA A 98 76.717 -6.434 2.113 1.00 0.00 C ATOM 1052 C ALA A 98 76.895 -7.949 1.987 1.00 0.00 C ATOM 1053 O ALA A 98 76.192 -8.599 1.242 1.00 0.00 O ATOM 1054 CB ALA A 98 78.072 -5.752 2.297 1.00 0.00 C ATOM 0 H ALA A 98 76.398 -5.426 3.968 1.00 0.00 H new ATOM 0 HA ALA A 98 76.208 -6.105 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.703 -5.957 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.928 -4.676 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.553 -6.136 3.196 1.00 0.00 H new ATOM 1060 N PHE A 99 77.840 -8.508 2.698 1.00 0.00 N ATOM 1061 CA PHE A 99 78.087 -9.981 2.617 1.00 0.00 C ATOM 1062 C PHE A 99 76.778 -10.752 2.427 1.00 0.00 C ATOM 1063 O PHE A 99 76.631 -11.528 1.503 1.00 0.00 O ATOM 1064 CB PHE A 99 78.731 -10.348 3.953 1.00 0.00 C ATOM 1065 CG PHE A 99 79.972 -11.171 3.705 1.00 0.00 C ATOM 1066 CD1 PHE A 99 81.200 -10.536 3.484 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.895 -12.568 3.698 1.00 0.00 C ATOM 1068 CE1 PHE A 99 82.351 -11.299 3.255 1.00 0.00 C ATOM 1069 CE2 PHE A 99 81.047 -13.332 3.470 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.274 -12.697 3.248 1.00 0.00 C ATOM 0 H PHE A 99 78.456 -8.004 3.336 1.00 0.00 H new ATOM 0 HA PHE A 99 78.720 -10.236 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.986 -9.444 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 99 78.026 -10.909 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 99 81.259 -9.458 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.947 -13.057 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 99 83.298 -10.809 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.988 -14.410 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.162 -13.286 3.071 1.00 0.00 H new ATOM 1080 N ALA A 100 75.830 -10.549 3.294 1.00 0.00 N ATOM 1081 CA ALA A 100 74.534 -11.275 3.162 1.00 0.00 C ATOM 1082 C ALA A 100 73.916 -11.011 1.787 1.00 0.00 C ATOM 1083 O ALA A 100 73.543 -11.926 1.078 1.00 0.00 O ATOM 1084 CB ALA A 100 73.646 -10.708 4.270 1.00 0.00 C ATOM 0 H ALA A 100 75.893 -9.913 4.089 1.00 0.00 H new ATOM 0 HA ALA A 100 74.655 -12.355 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.671 -11.194 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.112 -10.890 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.522 -9.635 4.123 1.00 0.00 H new ATOM 1090 N LEU A 101 73.804 -9.769 1.403 1.00 0.00 N ATOM 1091 CA LEU A 101 73.209 -9.449 0.073 1.00 0.00 C ATOM 1092 C LEU A 101 74.277 -9.540 -1.025 1.00 0.00 C ATOM 1093 O LEU A 101 75.457 -9.492 -0.745 1.00 0.00 O ATOM 1094 CB LEU A 101 72.698 -8.015 0.212 1.00 0.00 C ATOM 1095 CG LEU A 101 71.559 -7.979 1.233 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.720 -6.753 2.135 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.218 -7.900 0.500 1.00 0.00 C ATOM 0 H LEU A 101 74.099 -8.961 1.952 1.00 0.00 H new ATOM 0 HA LEU A 101 72.415 -10.142 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.507 -7.358 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 101 72.349 -7.646 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 101 71.588 -8.883 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 101 70.909 -6.727 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.675 -6.809 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.692 -5.848 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.407 -7.874 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.189 -6.996 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.102 -8.773 -0.142 1.00 0.00 H new ATOM 1109 N PRO A 102 73.829 -9.675 -2.248 1.00 0.00 N ATOM 1110 CA PRO A 102 74.763 -9.778 -3.394 1.00 0.00 C ATOM 1111 C PRO A 102 75.553 -8.476 -3.574 1.00 0.00 C ATOM 1112 O PRO A 102 75.117 -7.413 -3.177 1.00 0.00 O ATOM 1113 CB PRO A 102 73.818 -10.003 -4.577 1.00 0.00 C ATOM 1114 CG PRO A 102 72.366 -10.010 -4.058 1.00 0.00 C ATOM 1115 CD PRO A 102 72.379 -9.737 -2.549 1.00 0.00 C ATOM 0 HA PRO A 102 75.509 -10.564 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.949 -9.216 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 102 74.048 -10.948 -5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.777 -9.251 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.896 -10.972 -4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.873 -8.804 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.882 -10.529 -1.989 1.00 0.00 H new ATOM 1123 N VAL A 103 76.709 -8.555 -4.174 1.00 0.00 N ATOM 1124 CA VAL A 103 77.531 -7.353 -4.399 1.00 0.00 C ATOM 1125 C VAL A 103 76.694 -6.229 -5.023 1.00 0.00 C ATOM 1126 O VAL A 103 75.507 -6.384 -5.225 1.00 0.00 O ATOM 1127 CB VAL A 103 78.619 -7.839 -5.363 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.681 -8.615 -4.579 1.00 0.00 C ATOM 1129 CG2 VAL A 103 78.027 -8.742 -6.449 1.00 0.00 C ATOM 0 H VAL A 103 77.118 -9.423 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 103 77.941 -6.936 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 103 79.068 -6.970 -5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.456 -8.962 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 103 80.125 -7.964 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.218 -9.472 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 103 78.820 -9.073 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.559 -9.610 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 103 77.280 -8.187 -7.017 1.00 0.00 H new ATOM 1139 N SER A 104 77.327 -5.109 -5.325 1.00 0.00 N ATOM 1140 CA SER A 104 76.639 -3.917 -5.955 1.00 0.00 C ATOM 1141 C SER A 104 76.239 -2.862 -4.914 1.00 0.00 C ATOM 1142 O SER A 104 75.457 -3.109 -4.017 1.00 0.00 O ATOM 1143 CB SER A 104 75.391 -4.428 -6.681 1.00 0.00 C ATOM 1144 OG SER A 104 75.719 -5.590 -7.428 1.00 0.00 O ATOM 0 H SER A 104 78.323 -4.967 -5.156 1.00 0.00 H new ATOM 0 HA SER A 104 77.330 -3.434 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 104 74.606 -4.656 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 104 75.001 -3.655 -7.343 1.00 0.00 H new ATOM 0 HG SER A 104 75.318 -6.376 -7.003 1.00 0.00 H new ATOM 1150 N GLY A 105 76.762 -1.672 -5.064 1.00 0.00 N ATOM 1151 CA GLY A 105 76.428 -0.546 -4.139 1.00 0.00 C ATOM 1152 C GLY A 105 76.390 0.755 -4.954 1.00 0.00 C ATOM 1153 O GLY A 105 75.871 0.787 -6.053 1.00 0.00 O ATOM 0 H GLY A 105 77.420 -1.428 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 105 75.465 -0.722 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 105 77.171 -0.474 -3.345 1.00 0.00 H new ATOM 1157 N MET A 106 76.957 1.822 -4.444 1.00 0.00 N ATOM 1158 CA MET A 106 76.973 3.102 -5.218 1.00 0.00 C ATOM 1159 C MET A 106 75.535 3.620 -5.436 1.00 0.00 C ATOM 1160 O MET A 106 74.638 3.291 -4.688 1.00 0.00 O ATOM 1161 CB MET A 106 77.647 2.699 -6.532 1.00 0.00 C ATOM 1162 CG MET A 106 78.233 3.923 -7.245 1.00 0.00 C ATOM 1163 SD MET A 106 77.988 3.762 -9.037 1.00 0.00 S ATOM 1164 CE MET A 106 76.178 3.659 -9.051 1.00 0.00 C ATOM 0 H MET A 106 77.407 1.862 -3.530 1.00 0.00 H new ATOM 0 HA MET A 106 77.495 3.917 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 106 78.438 1.976 -6.333 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.922 2.208 -7.181 1.00 0.00 H new ATOM 0 HG2 MET A 106 77.752 4.832 -6.883 1.00 0.00 H new ATOM 0 HG3 MET A 106 79.296 4.013 -7.020 1.00 0.00 H new ATOM 0 HE1 MET A 106 75.812 3.822 -10.065 1.00 0.00 H new ATOM 0 HE2 MET A 106 75.867 2.672 -8.708 1.00 0.00 H new ATOM 0 HE3 MET A 106 75.765 4.420 -8.389 1.00 0.00 H new ATOM 1174 N ASP A 107 75.312 4.436 -6.445 1.00 0.00 N ATOM 1175 CA ASP A 107 73.939 4.978 -6.707 1.00 0.00 C ATOM 1176 C ASP A 107 73.041 3.905 -7.338 1.00 0.00 C ATOM 1177 O ASP A 107 71.894 4.146 -7.659 1.00 0.00 O ATOM 1178 CB ASP A 107 74.154 6.135 -7.683 1.00 0.00 C ATOM 1179 CG ASP A 107 72.992 7.124 -7.565 1.00 0.00 C ATOM 1180 OD1 ASP A 107 72.831 7.694 -6.498 1.00 0.00 O ATOM 1181 OD2 ASP A 107 72.283 7.294 -8.543 1.00 0.00 O ATOM 0 H ASP A 107 76.028 4.750 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 107 73.444 5.297 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 107 75.097 6.637 -7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 107 74.222 5.757 -8.703 1.00 0.00 H new ATOM 1186 N LYS A 108 73.550 2.715 -7.477 1.00 0.00 N ATOM 1187 CA LYS A 108 72.751 1.593 -8.038 1.00 0.00 C ATOM 1188 C LYS A 108 73.113 0.329 -7.250 1.00 0.00 C ATOM 1189 O LYS A 108 73.564 -0.647 -7.815 1.00 0.00 O ATOM 1190 CB LYS A 108 73.187 1.473 -9.499 1.00 0.00 C ATOM 1191 CG LYS A 108 72.229 0.539 -10.242 1.00 0.00 C ATOM 1192 CD LYS A 108 73.023 -0.336 -11.213 1.00 0.00 C ATOM 1193 CE LYS A 108 72.525 -0.097 -12.640 1.00 0.00 C ATOM 1194 NZ LYS A 108 72.878 -1.342 -13.379 1.00 0.00 N ATOM 0 H LYS A 108 74.506 2.468 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 108 71.674 1.744 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 108 73.192 2.456 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 108 74.205 1.087 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 108 71.688 -0.086 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 108 71.485 1.121 -10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 108 74.086 -0.103 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 108 72.909 -1.387 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 108 71.450 0.083 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 108 73.003 0.776 -13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 72.569 -1.258 -14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 73.908 -1.484 -13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 72.404 -2.155 -12.936 1.00 0.00 H new ATOM 1208 N PRO A 109 72.939 0.413 -5.950 1.00 0.00 N ATOM 1209 CA PRO A 109 73.293 -0.708 -5.048 1.00 0.00 C ATOM 1210 C PRO A 109 72.445 -1.948 -5.311 1.00 0.00 C ATOM 1211 O PRO A 109 71.468 -1.921 -6.032 1.00 0.00 O ATOM 1212 CB PRO A 109 72.994 -0.133 -3.661 1.00 0.00 C ATOM 1213 CG PRO A 109 72.489 1.309 -3.824 1.00 0.00 C ATOM 1214 CD PRO A 109 72.374 1.627 -5.310 1.00 0.00 C ATOM 0 HA PRO A 109 74.323 -1.040 -5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 109 72.245 -0.741 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 109 73.892 -0.151 -3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 109 71.521 1.427 -3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 109 73.175 2.005 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 109 71.340 1.798 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 109 72.934 2.523 -5.577 1.00 0.00 H new ATOM 1222 N VAL A 110 72.834 -3.037 -4.714 1.00 0.00 N ATOM 1223 CA VAL A 110 72.097 -4.312 -4.882 1.00 0.00 C ATOM 1224 C VAL A 110 70.625 -4.154 -4.466 1.00 0.00 C ATOM 1225 O VAL A 110 70.018 -3.122 -4.673 1.00 0.00 O ATOM 1226 CB VAL A 110 72.846 -5.276 -3.959 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.348 -5.129 -2.520 1.00 0.00 C ATOM 1228 CG2 VAL A 110 72.623 -6.704 -4.428 1.00 0.00 C ATOM 0 H VAL A 110 73.650 -3.095 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 110 72.066 -4.660 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 110 73.910 -5.040 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.890 -5.821 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.517 -4.107 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.282 -5.354 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.157 -7.390 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 110 71.558 -6.933 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 110 72.995 -6.815 -5.447 1.00 0.00 H new ATOM 1238 N PHE A 111 70.047 -5.175 -3.892 1.00 0.00 N ATOM 1239 CA PHE A 111 68.618 -5.095 -3.475 1.00 0.00 C ATOM 1240 C PHE A 111 68.433 -4.100 -2.326 1.00 0.00 C ATOM 1241 O PHE A 111 67.425 -3.426 -2.237 1.00 0.00 O ATOM 1242 CB PHE A 111 68.265 -6.509 -3.013 1.00 0.00 C ATOM 1243 CG PHE A 111 68.008 -7.385 -4.217 1.00 0.00 C ATOM 1244 CD1 PHE A 111 66.723 -7.462 -4.767 1.00 0.00 C ATOM 1245 CD2 PHE A 111 69.056 -8.124 -4.781 1.00 0.00 C ATOM 1246 CE1 PHE A 111 66.486 -8.277 -5.880 1.00 0.00 C ATOM 1247 CE2 PHE A 111 68.818 -8.938 -5.895 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.533 -9.015 -6.445 1.00 0.00 C ATOM 0 H PHE A 111 70.505 -6.064 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 111 67.980 -4.749 -4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 111 69.079 -6.922 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.383 -6.484 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 111 65.915 -6.893 -4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 111 70.047 -8.066 -4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 111 65.494 -8.337 -6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 111 69.626 -9.507 -6.330 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.349 -9.643 -7.304 1.00 0.00 H new ATOM 1258 N THR A 112 69.383 -4.008 -1.440 1.00 0.00 N ATOM 1259 CA THR A 112 69.229 -3.056 -0.293 1.00 0.00 C ATOM 1260 C THR A 112 69.559 -1.625 -0.719 1.00 0.00 C ATOM 1261 O THR A 112 69.926 -1.365 -1.848 1.00 0.00 O ATOM 1262 CB THR A 112 70.212 -3.522 0.781 1.00 0.00 C ATOM 1263 OG1 THR A 112 70.272 -2.549 1.814 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.606 -3.704 0.176 1.00 0.00 C ATOM 0 H THR A 112 70.252 -4.542 -1.454 1.00 0.00 H new ATOM 0 HA THR A 112 68.202 -3.051 0.072 1.00 0.00 H new ATOM 0 HB THR A 112 69.873 -4.475 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.900 -2.845 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 112 72.298 -4.036 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.564 -4.450 -0.617 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.950 -2.755 -0.236 1.00 0.00 H new ATOM 1272 N ASP A 113 69.440 -0.696 0.191 1.00 0.00 N ATOM 1273 CA ASP A 113 69.757 0.726 -0.138 1.00 0.00 C ATOM 1274 C ASP A 113 71.227 0.997 0.181 1.00 0.00 C ATOM 1275 O ASP A 113 71.834 0.260 0.933 1.00 0.00 O ATOM 1276 CB ASP A 113 68.847 1.581 0.753 1.00 0.00 C ATOM 1277 CG ASP A 113 67.477 0.912 0.902 1.00 0.00 C ATOM 1278 OD1 ASP A 113 66.971 0.417 -0.091 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.960 0.906 2.008 1.00 0.00 O ATOM 0 H ASP A 113 69.136 -0.860 1.151 1.00 0.00 H new ATOM 0 HA ASP A 113 69.594 0.953 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.305 1.713 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.730 2.574 0.320 1.00 0.00 H new ATOM 1284 N PRO A 114 71.769 2.030 -0.407 1.00 0.00 N ATOM 1285 CA PRO A 114 73.190 2.359 -0.176 1.00 0.00 C ATOM 1286 C PRO A 114 73.466 2.705 1.301 1.00 0.00 C ATOM 1287 O PRO A 114 74.280 2.056 1.920 1.00 0.00 O ATOM 1288 CB PRO A 114 73.432 3.533 -1.131 1.00 0.00 C ATOM 1289 CG PRO A 114 72.111 3.834 -1.878 1.00 0.00 C ATOM 1290 CD PRO A 114 71.010 2.910 -1.329 1.00 0.00 C ATOM 0 HA PRO A 114 73.868 1.527 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 114 73.763 4.411 -0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.222 3.288 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 114 71.830 4.878 -1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.238 3.675 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.231 3.469 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.521 2.344 -2.122 1.00 0.00 H new ATOM 1298 N PRO A 115 72.791 3.699 1.832 1.00 0.00 N ATOM 1299 CA PRO A 115 73.009 4.098 3.248 1.00 0.00 C ATOM 1300 C PRO A 115 72.521 2.995 4.187 1.00 0.00 C ATOM 1301 O PRO A 115 71.400 3.020 4.657 1.00 0.00 O ATOM 1302 CB PRO A 115 72.128 5.342 3.386 1.00 0.00 C ATOM 1303 CG PRO A 115 71.427 5.600 2.040 1.00 0.00 C ATOM 1304 CD PRO A 115 71.778 4.461 1.074 1.00 0.00 C ATOM 0 HA PRO A 115 74.055 4.276 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.390 5.197 4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.732 6.204 3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.348 5.656 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 115 71.745 6.557 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 115 70.908 3.851 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.175 4.837 0.131 1.00 0.00 H new ATOM 1312 N VAL A 116 73.343 2.025 4.464 1.00 0.00 N ATOM 1313 CA VAL A 116 72.911 0.929 5.367 1.00 0.00 C ATOM 1314 C VAL A 116 73.243 1.284 6.816 1.00 0.00 C ATOM 1315 O VAL A 116 74.193 1.989 7.089 1.00 0.00 O ATOM 1316 CB VAL A 116 73.710 -0.291 4.915 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.677 -0.391 3.388 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.158 -0.161 5.388 1.00 0.00 C ATOM 0 H VAL A 116 74.294 1.945 4.104 1.00 0.00 H new ATOM 0 HA VAL A 116 71.837 0.750 5.322 1.00 0.00 H new ATOM 0 HB VAL A 116 73.268 -1.190 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 116 74.248 -1.263 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.645 -0.490 3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.115 0.508 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.726 -1.033 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.601 0.739 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.181 -0.096 6.476 1.00 0.00 H new ATOM 1328 N LYS A 117 72.469 0.804 7.747 1.00 0.00 N ATOM 1329 CA LYS A 117 72.746 1.120 9.175 1.00 0.00 C ATOM 1330 C LYS A 117 73.573 0.003 9.813 1.00 0.00 C ATOM 1331 O LYS A 117 73.163 -1.141 9.854 1.00 0.00 O ATOM 1332 CB LYS A 117 71.374 1.215 9.834 1.00 0.00 C ATOM 1333 CG LYS A 117 71.552 1.339 11.347 1.00 0.00 C ATOM 1334 CD LYS A 117 70.946 2.661 11.825 1.00 0.00 C ATOM 1335 CE LYS A 117 69.484 2.439 12.217 1.00 0.00 C ATOM 1336 NZ LYS A 117 69.369 2.999 13.593 1.00 0.00 N ATOM 0 H LYS A 117 71.658 0.208 7.582 1.00 0.00 H new ATOM 0 HA LYS A 117 73.316 2.042 9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 117 70.830 2.077 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 117 70.781 0.332 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 117 71.069 0.502 11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.610 1.298 11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.508 3.044 12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 117 71.013 3.410 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 117 68.808 2.944 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 117 69.226 1.380 12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 68.393 2.885 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 70.019 2.494 14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 69.614 4.010 13.578 1.00 0.00 H new ATOM 1350 N THR A 118 74.733 0.327 10.313 1.00 0.00 N ATOM 1351 CA THR A 118 75.587 -0.714 10.950 1.00 0.00 C ATOM 1352 C THR A 118 76.029 -0.251 12.341 1.00 0.00 C ATOM 1353 O THR A 118 77.206 -0.136 12.624 1.00 0.00 O ATOM 1354 CB THR A 118 76.791 -0.858 10.020 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.500 0.372 9.971 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.311 -1.229 8.616 1.00 0.00 C ATOM 0 H THR A 118 75.127 1.268 10.308 1.00 0.00 H new ATOM 0 HA THR A 118 75.062 -1.660 11.083 1.00 0.00 H new ATOM 0 HB THR A 118 77.449 -1.642 10.396 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.817 0.603 10.869 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.170 -1.332 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.768 -2.173 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.652 -0.447 8.238 1.00 0.00 H new ATOM 1364 N LYS A 119 75.094 0.017 13.211 1.00 0.00 N ATOM 1365 CA LYS A 119 75.459 0.474 14.582 1.00 0.00 C ATOM 1366 C LYS A 119 76.158 1.834 14.516 1.00 0.00 C ATOM 1367 O LYS A 119 77.003 2.150 15.330 1.00 0.00 O ATOM 1368 CB LYS A 119 76.414 -0.596 15.112 1.00 0.00 C ATOM 1369 CG LYS A 119 76.416 -0.565 16.642 1.00 0.00 C ATOM 1370 CD LYS A 119 76.899 -1.915 17.178 1.00 0.00 C ATOM 1371 CE LYS A 119 77.995 -1.687 18.222 1.00 0.00 C ATOM 1372 NZ LYS A 119 77.492 -2.359 19.454 1.00 0.00 N ATOM 0 H LYS A 119 74.093 -0.061 13.032 1.00 0.00 H new ATOM 0 HA LYS A 119 74.587 0.597 15.224 1.00 0.00 H new ATOM 0 HB2 LYS A 119 76.107 -1.580 14.758 1.00 0.00 H new ATOM 0 HB3 LYS A 119 77.421 -0.420 14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 119 77.066 0.234 17.000 1.00 0.00 H new ATOM 0 HG3 LYS A 119 75.414 -0.351 17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 119 76.067 -2.461 17.622 1.00 0.00 H new ATOM 0 HD3 LYS A 119 77.282 -2.527 16.361 1.00 0.00 H new ATOM 0 HE2 LYS A 119 78.945 -2.113 17.898 1.00 0.00 H new ATOM 0 HE3 LYS A 119 78.164 -0.624 18.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 78.188 -2.248 20.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 76.590 -1.928 19.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 77.346 -3.371 19.263 1.00 0.00 H new ATOM 1386 N PHE A 120 75.810 2.645 13.552 1.00 0.00 N ATOM 1387 CA PHE A 120 76.455 3.984 13.435 1.00 0.00 C ATOM 1388 C PHE A 120 75.475 4.996 12.830 1.00 0.00 C ATOM 1389 O PHE A 120 75.265 6.064 13.369 1.00 0.00 O ATOM 1390 CB PHE A 120 77.648 3.768 12.502 1.00 0.00 C ATOM 1391 CG PHE A 120 78.932 4.003 13.263 1.00 0.00 C ATOM 1392 CD1 PHE A 120 79.437 3.011 14.111 1.00 0.00 C ATOM 1393 CD2 PHE A 120 79.618 5.216 13.117 1.00 0.00 C ATOM 1394 CE1 PHE A 120 80.628 3.230 14.813 1.00 0.00 C ATOM 1395 CE2 PHE A 120 80.809 5.435 13.820 1.00 0.00 C ATOM 1396 CZ PHE A 120 81.314 4.442 14.668 1.00 0.00 C ATOM 0 H PHE A 120 75.108 2.438 12.842 1.00 0.00 H new ATOM 0 HA PHE A 120 76.760 4.381 14.403 1.00 0.00 H new ATOM 0 HB2 PHE A 120 77.631 2.755 12.101 1.00 0.00 H new ATOM 0 HB3 PHE A 120 77.587 4.448 11.652 1.00 0.00 H new ATOM 0 HD1 PHE A 120 78.908 2.076 14.224 1.00 0.00 H new ATOM 0 HD2 PHE A 120 79.228 5.982 12.463 1.00 0.00 H new ATOM 0 HE1 PHE A 120 81.018 2.464 15.467 1.00 0.00 H new ATOM 0 HE2 PHE A 120 81.338 6.370 13.708 1.00 0.00 H new ATOM 0 HZ PHE A 120 82.233 4.611 15.210 1.00 0.00 H new ATOM 1406 N GLY A 121 74.876 4.670 11.715 1.00 0.00 N ATOM 1407 CA GLY A 121 73.913 5.618 11.084 1.00 0.00 C ATOM 1408 C GLY A 121 73.634 5.189 9.640 1.00 0.00 C ATOM 1409 O GLY A 121 73.072 4.141 9.393 1.00 0.00 O ATOM 0 H GLY A 121 75.012 3.791 11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 121 72.983 5.639 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 121 74.320 6.629 11.101 1.00 0.00 H new ATOM 1413 N TYR A 122 74.019 5.993 8.685 1.00 0.00 N ATOM 1414 CA TYR A 122 73.776 5.635 7.255 1.00 0.00 C ATOM 1415 C TYR A 122 75.111 5.476 6.524 1.00 0.00 C ATOM 1416 O TYR A 122 75.948 6.356 6.552 1.00 0.00 O ATOM 1417 CB TYR A 122 72.992 6.818 6.684 1.00 0.00 C ATOM 1418 CG TYR A 122 71.526 6.465 6.596 1.00 0.00 C ATOM 1419 CD1 TYR A 122 70.971 5.550 7.498 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.723 7.055 5.612 1.00 0.00 C ATOM 1421 CE1 TYR A 122 69.611 5.225 7.416 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.364 6.729 5.531 1.00 0.00 C ATOM 1423 CZ TYR A 122 68.808 5.813 6.433 1.00 0.00 C ATOM 1424 OH TYR A 122 67.468 5.492 6.352 1.00 0.00 O ATOM 0 H TYR A 122 74.492 6.884 8.833 1.00 0.00 H new ATOM 0 HA TYR A 122 73.236 4.695 7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.127 7.695 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.373 7.076 5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 122 71.591 5.095 8.256 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.152 7.761 4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 122 69.182 4.520 8.112 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.744 7.184 4.773 1.00 0.00 H new ATOM 0 HH TYR A 122 67.056 5.990 5.615 1.00 0.00 H new ATOM 1434 N HIS A 123 75.331 4.358 5.882 1.00 0.00 N ATOM 1435 CA HIS A 123 76.632 4.164 5.173 1.00 0.00 C ATOM 1436 C HIS A 123 76.408 3.544 3.792 1.00 0.00 C ATOM 1437 O HIS A 123 75.659 2.603 3.648 1.00 0.00 O ATOM 1438 CB HIS A 123 77.450 3.206 6.059 1.00 0.00 C ATOM 1439 CG HIS A 123 76.976 3.277 7.491 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.051 4.442 8.236 1.00 0.00 N ATOM 1441 CD2 HIS A 123 76.413 2.339 8.320 1.00 0.00 C ATOM 1442 CE1 HIS A 123 76.549 4.178 9.454 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.145 2.910 9.560 1.00 0.00 N ATOM 0 H HIS A 123 74.675 3.579 5.818 1.00 0.00 H new ATOM 0 HA HIS A 123 77.146 5.113 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.353 2.186 5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.507 3.466 6.006 1.00 0.00 H new ATOM 0 HD1 HIS A 123 77.420 5.338 7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.209 1.313 8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 123 76.481 4.904 10.251 1.00 0.00 H new ATOM 1451 N ILE A 124 77.069 4.050 2.777 1.00 0.00 N ATOM 1452 CA ILE A 124 76.897 3.469 1.410 1.00 0.00 C ATOM 1453 C ILE A 124 77.918 2.353 1.196 1.00 0.00 C ATOM 1454 O ILE A 124 79.083 2.604 0.957 1.00 0.00 O ATOM 1455 CB ILE A 124 77.152 4.614 0.427 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.413 5.873 0.888 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.645 4.212 -0.958 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.636 6.993 -0.133 1.00 0.00 C ATOM 0 H ILE A 124 77.716 4.836 2.837 1.00 0.00 H new ATOM 0 HA ILE A 124 75.903 3.044 1.272 1.00 0.00 H new ATOM 0 HB ILE A 124 78.222 4.820 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.348 5.666 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.774 6.182 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.825 5.025 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.172 3.319 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.576 4.005 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 124 76.111 7.891 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.702 7.205 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.254 6.681 -1.105 1.00 0.00 H new ATOM 1470 N ILE A 125 77.496 1.124 1.294 1.00 0.00 N ATOM 1471 CA ILE A 125 78.443 -0.004 1.113 1.00 0.00 C ATOM 1472 C ILE A 125 78.349 -0.577 -0.301 1.00 0.00 C ATOM 1473 O ILE A 125 77.281 -0.892 -0.786 1.00 0.00 O ATOM 1474 CB ILE A 125 77.985 -1.047 2.124 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.276 -0.561 3.543 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.734 -2.348 1.866 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.933 -1.674 4.534 1.00 0.00 C ATOM 0 H ILE A 125 76.533 0.854 1.492 1.00 0.00 H new ATOM 0 HA ILE A 125 79.478 0.306 1.257 1.00 0.00 H new ATOM 0 HB ILE A 125 76.912 -1.209 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.326 -0.284 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.690 0.331 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.413 -3.101 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.520 -2.697 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.805 -2.178 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.138 -1.334 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.877 -1.929 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.539 -2.554 4.317 1.00 0.00 H new ATOM 1489 N MET A 126 79.464 -0.731 -0.956 1.00 0.00 N ATOM 1490 CA MET A 126 79.456 -1.303 -2.326 1.00 0.00 C ATOM 1491 C MET A 126 80.255 -2.603 -2.328 1.00 0.00 C ATOM 1492 O MET A 126 81.458 -2.592 -2.457 1.00 0.00 O ATOM 1493 CB MET A 126 80.132 -0.255 -3.216 1.00 0.00 C ATOM 1494 CG MET A 126 79.700 1.151 -2.789 1.00 0.00 C ATOM 1495 SD MET A 126 79.757 2.258 -4.218 1.00 0.00 S ATOM 1496 CE MET A 126 81.368 3.004 -3.876 1.00 0.00 C ATOM 0 H MET A 126 80.386 -0.483 -0.597 1.00 0.00 H new ATOM 0 HA MET A 126 78.450 -1.528 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 126 81.216 -0.349 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 126 79.866 -0.425 -4.259 1.00 0.00 H new ATOM 0 HG2 MET A 126 78.691 1.124 -2.376 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.357 1.522 -2.002 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.439 3.966 -4.384 1.00 0.00 H new ATOM 0 HE2 MET A 126 81.480 3.151 -2.802 1.00 0.00 H new ATOM 0 HE3 MET A 126 82.158 2.345 -4.236 1.00 0.00 H new ATOM 1506 N VAL A 127 79.591 -3.719 -2.196 1.00 0.00 N ATOM 1507 CA VAL A 127 80.321 -5.027 -2.189 1.00 0.00 C ATOM 1508 C VAL A 127 80.439 -5.531 -3.622 1.00 0.00 C ATOM 1509 O VAL A 127 79.458 -5.670 -4.317 1.00 0.00 O ATOM 1510 CB VAL A 127 79.477 -5.995 -1.332 1.00 0.00 C ATOM 1511 CG1 VAL A 127 77.982 -5.767 -1.567 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.828 -7.441 -1.688 1.00 0.00 C ATOM 0 H VAL A 127 78.578 -3.786 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 127 81.327 -4.938 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 127 79.701 -5.806 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 127 77.407 -6.460 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 127 77.723 -4.743 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 127 77.749 -5.935 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.230 -8.121 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 127 79.618 -7.617 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 127 80.886 -7.617 -1.494 1.00 0.00 H new ATOM 1522 N GLU A 128 81.638 -5.775 -4.080 1.00 0.00 N ATOM 1523 CA GLU A 128 81.817 -6.243 -5.470 1.00 0.00 C ATOM 1524 C GLU A 128 83.067 -7.111 -5.601 1.00 0.00 C ATOM 1525 O GLU A 128 84.148 -6.625 -5.773 1.00 0.00 O ATOM 1526 CB GLU A 128 81.965 -4.967 -6.298 1.00 0.00 C ATOM 1527 CG GLU A 128 80.951 -4.983 -7.444 1.00 0.00 C ATOM 1528 CD GLU A 128 80.976 -3.635 -8.166 1.00 0.00 C ATOM 1529 OE1 GLU A 128 81.928 -2.898 -7.970 1.00 0.00 O ATOM 1530 OE2 GLU A 128 80.044 -3.362 -8.904 1.00 0.00 O ATOM 0 H GLU A 128 82.499 -5.668 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 128 80.980 -6.858 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 128 81.805 -4.092 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 128 82.978 -4.893 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 128 81.188 -5.786 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 128 79.952 -5.182 -7.057 1.00 0.00 H new ATOM 1537 N GLY A 129 82.937 -8.384 -5.536 1.00 0.00 N ATOM 1538 CA GLY A 129 84.139 -9.249 -5.708 1.00 0.00 C ATOM 1539 C GLY A 129 84.227 -10.294 -4.611 1.00 0.00 C ATOM 1540 O GLY A 129 85.016 -10.176 -3.700 1.00 0.00 O ATOM 0 H GLY A 129 82.060 -8.878 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.100 -9.741 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.038 -8.632 -5.699 1.00 0.00 H new ATOM 1544 N ARG A 130 83.444 -11.328 -4.711 1.00 0.00 N ATOM 1545 CA ARG A 130 83.496 -12.405 -3.684 1.00 0.00 C ATOM 1546 C ARG A 130 84.360 -13.561 -4.193 1.00 0.00 C ATOM 1547 O ARG A 130 84.617 -13.680 -5.376 1.00 0.00 O ATOM 1548 CB ARG A 130 82.050 -12.863 -3.507 1.00 0.00 C ATOM 1549 CG ARG A 130 81.117 -11.647 -3.491 1.00 0.00 C ATOM 1550 CD ARG A 130 79.726 -12.076 -3.023 1.00 0.00 C ATOM 1551 NE ARG A 130 79.068 -12.629 -4.241 1.00 0.00 N ATOM 1552 CZ ARG A 130 77.905 -13.214 -4.146 1.00 0.00 C ATOM 1553 NH1 ARG A 130 77.836 -14.492 -3.888 1.00 0.00 N ATOM 1554 NH2 ARG A 130 76.811 -12.522 -4.307 1.00 0.00 N ATOM 0 H ARG A 130 82.768 -11.476 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 130 83.928 -12.061 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.771 -13.536 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.948 -13.423 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.515 -10.879 -2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.058 -11.208 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 130 79.788 -12.824 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.166 -11.232 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 130 79.527 -12.550 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.691 -15.033 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 130 76.927 -14.949 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 130 76.864 -11.523 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 130 75.902 -12.980 -4.233 1.00 0.00 H new ATOM 1568 N LYS A 131 84.804 -14.420 -3.318 1.00 0.00 N ATOM 1569 CA LYS A 131 85.645 -15.571 -3.759 1.00 0.00 C ATOM 1570 C LYS A 131 86.107 -16.382 -2.538 1.00 0.00 C ATOM 1571 O LYS A 131 85.943 -15.896 -1.432 1.00 0.00 O ATOM 1572 CB LYS A 131 86.830 -14.936 -4.518 1.00 0.00 C ATOM 1573 CG LYS A 131 88.121 -14.993 -3.689 1.00 0.00 C ATOM 1574 CD LYS A 131 87.924 -14.225 -2.381 1.00 0.00 C ATOM 1575 CE LYS A 131 88.599 -14.985 -1.237 1.00 0.00 C ATOM 1576 NZ LYS A 131 89.655 -14.060 -0.737 1.00 0.00 N ATOM 1577 OXT LYS A 131 86.615 -17.474 -2.735 1.00 0.00 O ATOM 0 H LYS A 131 84.621 -14.376 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 131 85.106 -16.271 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.980 -15.457 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.596 -13.899 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 131 88.384 -16.029 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 131 88.948 -14.563 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 131 88.348 -13.224 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 131 86.861 -14.104 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 131 87.885 -15.233 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 131 89.028 -15.924 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 90.593 -14.460 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 89.561 -13.138 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 89.549 -13.935 0.290 1.00 0.00 H new TER 1591 LYS A 131