USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 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 29 TYR OH : rot -133:sc= 0.868 USER MOD Set 1.2: A 31 SER OG : rot 145:sc= 2.74 USER MOD Set 1.3: A 108 TYR OH : rot 180:sc= 0.914 USER MOD Set 2.1: A 90 SER OG : rot -117:sc= 1.96 USER MOD Set 2.2: A 92 THR OG1 : rot -23:sc= 0.216 USER MOD Set 2.3: A 94 ASN : amide:sc= -1.11 K(o=1.1,f=-6!) USER MOD Set 3.1: A 72 SER OG : rot 46:sc= 1.74 USER MOD Set 3.2: A 75 THR OG1 : rot -96:sc= 0.349 USER MOD Set 4.1: A 57 GLN : amide:sc= 1.07 K(o=1.9,f=-1.6!) USER MOD Set 4.2: A 73 THR OG1 : rot 134:sc= 0.812 USER MOD Single : A 30 CYS SG : rot 106:sc= -1.09 USER MOD Single : A 32 ASN :FLIP amide:sc= -3.83! C(o=-5.9!,f=-3.8!) USER MOD Single : A 35 HIS : no HE2:sc= -1.21 X(o=-1.2,f=-0.81) USER MOD Single : A 44 THR OG1 : rot 115:sc= 0.771 USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.766 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 HIS : no HD1:sc= -0.862 K(o=-0.86,f=-5.7!) USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0351 USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= -0.154 (180deg=-1.98!) USER MOD Single : A 77 GLN : amide:sc= 0.678 K(o=0.68,f=-4.6!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -123:sc= -0.876 (180deg=-5.37!) USER MOD Single : A 83 THR OG1 : rot -92:sc= 0.101 USER MOD Single : A 88 TYR OH : rot 23:sc= 0.568 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 CYS SG : rot 39:sc= -2.19! USER MOD Single : A 106 ASN : amide:sc= -1.95! C(o=-1.9!,f=-7.9!) USER MOD Single : A 107 HIS : no HE2:sc= -0.0862 K(o=-0.086,f=-1.6) USER MOD Single : A 109 ASN : amide:sc= -0.32 K(o=-0.32,f=-4.2!) USER MOD Single : A 110 THR OG1 : rot -70:sc= -0.967 USER MOD Single : A 111 TYR OH : rot 90:sc= -0.15 USER MOD Single : A 113 SER OG : rot -130:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -152:sc= -0.422 (180deg=-0.849) USER MOD Single : A 116 HIS : no HE2:sc= 0.472 K(o=0.47,f=-3.1!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0.312 (180deg=0.312) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 159:sc= -0.0727 (180deg=-0.549) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 CYS SG : rot 30:sc= -0.412 USER MOD Single : A 132 LYS NZ :NH3+ 174:sc= -0.992 (180deg=-1.02) USER MOD Single : A 137 THR OG1 : rot 136:sc= -2.48! USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 139 TYR OH : rot 50:sc= 0.515 USER MOD Single : A 141 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.25) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 2.984 -3.897 11.611 1.00 0.00 N ATOM 12 CA ALA A 26 3.202 -4.433 10.251 1.00 0.00 C ATOM 13 C ALA A 26 4.030 -3.548 9.320 1.00 0.00 C ATOM 14 O ALA A 26 3.629 -2.470 8.882 1.00 0.00 O ATOM 15 CB ALA A 26 1.901 -4.859 9.588 1.00 0.00 C ATOM 0 HA ALA A 26 3.818 -5.317 10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.111 -5.246 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.425 -5.636 10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.234 -4.001 9.511 1.00 0.00 H new ATOM 16 N LEU A 27 5.119 -4.176 8.896 1.00 0.00 N ATOM 17 CA LEU A 27 6.123 -3.553 8.017 1.00 0.00 C ATOM 18 C LEU A 27 5.930 -4.017 6.576 1.00 0.00 C ATOM 19 O LEU A 27 5.831 -5.215 6.305 1.00 0.00 O ATOM 20 CB LEU A 27 7.522 -3.905 8.520 1.00 0.00 C ATOM 21 CG LEU A 27 7.840 -3.295 9.895 1.00 0.00 C ATOM 22 CD1 LEU A 27 8.800 -4.198 10.654 1.00 0.00 C ATOM 23 CD2 LEU A 27 8.400 -1.868 9.774 1.00 0.00 C ATOM 0 H LEU A 27 5.340 -5.139 9.149 1.00 0.00 H new ATOM 0 HA LEU A 27 6.001 -2.470 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.618 -4.989 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.260 -3.559 7.796 1.00 0.00 H new ATOM 0 HG LEU A 27 6.908 -3.221 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.020 -3.759 11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.344 -5.178 10.793 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.724 -4.305 10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.611 -1.474 10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.319 -1.886 9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.667 -1.230 9.279 1.00 0.00 H new ATOM 24 N LEU A 28 5.617 -3.039 5.742 1.00 0.00 N ATOM 25 CA LEU A 28 5.370 -3.234 4.298 1.00 0.00 C ATOM 26 C LEU A 28 6.470 -2.526 3.501 1.00 0.00 C ATOM 27 O LEU A 28 6.437 -1.307 3.271 1.00 0.00 O ATOM 28 CB LEU A 28 3.990 -2.627 4.058 1.00 0.00 C ATOM 29 CG LEU A 28 2.876 -3.632 3.694 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.012 -4.113 2.254 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.756 -4.803 4.679 1.00 0.00 C ATOM 0 H LEU A 28 5.523 -2.068 6.040 1.00 0.00 H new ATOM 0 HA LEU A 28 5.390 -4.277 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.689 -2.087 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.070 -1.893 3.256 1.00 0.00 H new ATOM 0 HG LEU A 28 1.938 -3.084 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.213 -4.819 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.944 -3.261 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.977 -4.603 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.953 -5.467 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.695 -5.355 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.534 -4.419 5.675 1.00 0.00 H new ATOM 32 N TYR A 29 7.494 -3.306 3.192 1.00 0.00 N ATOM 33 CA TYR A 29 8.750 -2.835 2.604 1.00 0.00 C ATOM 34 C TYR A 29 8.723 -2.794 1.067 1.00 0.00 C ATOM 35 O TYR A 29 8.614 -3.818 0.424 1.00 0.00 O ATOM 36 CB TYR A 29 9.826 -3.780 3.161 1.00 0.00 C ATOM 37 CG TYR A 29 11.172 -3.789 2.424 1.00 0.00 C ATOM 38 CD1 TYR A 29 11.949 -2.621 2.337 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.450 -4.934 1.654 1.00 0.00 C ATOM 40 CE1 TYR A 29 13.017 -2.579 1.411 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.510 -4.897 0.730 1.00 0.00 C ATOM 42 CZ TYR A 29 13.261 -3.716 0.607 1.00 0.00 C ATOM 43 OH TYR A 29 14.081 -3.603 -0.468 1.00 0.00 O ATOM 0 H TYR A 29 7.479 -4.314 3.346 1.00 0.00 H new ATOM 0 HA TYR A 29 8.949 -1.798 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.008 -3.515 4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.426 -4.794 3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.734 -1.770 2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.857 -5.829 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.633 -1.697 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.742 -5.761 0.126 1.00 0.00 H new ATOM 0 HH TYR A 29 13.662 -4.029 -1.245 1.00 0.00 H new ATOM 44 N CYS A 30 9.039 -1.637 0.506 1.00 0.00 N ATOM 45 CA CYS A 30 9.038 -1.455 -0.958 1.00 0.00 C ATOM 46 C CYS A 30 10.471 -1.323 -1.483 1.00 0.00 C ATOM 47 O CYS A 30 11.156 -0.329 -1.237 1.00 0.00 O ATOM 48 CB CYS A 30 8.222 -0.203 -1.304 1.00 0.00 C ATOM 49 SG CYS A 30 7.659 -0.236 -3.044 1.00 0.00 S ATOM 0 H CYS A 30 9.301 -0.804 1.032 1.00 0.00 H new ATOM 0 HA CYS A 30 8.586 -2.326 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.359 -0.134 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.827 0.687 -1.132 1.00 0.00 H new ATOM 0 HG CYS A 30 6.387 -0.500 -3.084 1.00 0.00 H new ATOM 50 N SER A 31 10.840 -2.311 -2.285 1.00 0.00 N ATOM 51 CA SER A 31 12.172 -2.369 -2.936 1.00 0.00 C ATOM 52 C SER A 31 12.489 -1.229 -3.908 1.00 0.00 C ATOM 53 O SER A 31 13.650 -0.869 -4.047 1.00 0.00 O ATOM 54 CB SER A 31 12.413 -3.710 -3.644 1.00 0.00 C ATOM 55 OG SER A 31 12.670 -4.695 -2.640 1.00 0.00 O ATOM 0 H SER A 31 10.237 -3.101 -2.512 1.00 0.00 H new ATOM 0 HA SER A 31 12.855 -2.254 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.544 -3.989 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.257 -3.634 -4.329 1.00 0.00 H new ATOM 0 HG SER A 31 12.297 -5.556 -2.923 1.00 0.00 H new ATOM 56 N ASN A 32 11.419 -0.507 -4.262 1.00 0.00 N ATOM 57 CA ASN A 32 11.377 0.667 -5.158 1.00 0.00 C ATOM 58 C ASN A 32 12.648 1.547 -5.094 1.00 0.00 C ATOM 59 O ASN A 32 13.269 1.836 -6.116 1.00 0.00 O ATOM 60 CB ASN A 32 10.136 1.455 -4.734 1.00 0.00 C ATOM 61 CG ASN A 32 9.879 2.731 -5.524 1.00 0.00 C ATOM 62 OD1 ASN A 32 8.749 2.753 -6.189 1.00 0.00 O flip ATOM 63 ND2 ASN A 32 10.540 3.744 -5.409 1.00 0.00 N flip ATOM 0 H ASN A 32 10.491 -0.740 -3.908 1.00 0.00 H new ATOM 0 HA ASN A 32 11.333 0.342 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.264 0.807 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.231 1.712 -3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.419 3.724 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.216 4.615 -5.830 1.00 0.00 H new ATOM 64 N GLY A 33 12.899 2.001 -3.871 1.00 0.00 N ATOM 65 CA GLY A 33 14.126 2.696 -3.437 1.00 0.00 C ATOM 66 C GLY A 33 14.353 2.465 -1.932 1.00 0.00 C ATOM 67 O GLY A 33 14.652 3.401 -1.185 1.00 0.00 O ATOM 0 H GLY A 33 12.226 1.894 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.982 2.329 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.042 3.763 -3.642 1.00 0.00 H new ATOM 68 N GLY A 34 14.093 1.229 -1.503 1.00 0.00 N ATOM 69 CA GLY A 34 14.195 0.800 -0.090 1.00 0.00 C ATOM 70 C GLY A 34 13.302 1.594 0.875 1.00 0.00 C ATOM 71 O GLY A 34 13.700 1.847 2.004 1.00 0.00 O ATOM 0 H GLY A 34 13.800 0.480 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.934 -0.256 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.232 0.893 0.232 1.00 0.00 H new ATOM 72 N HIS A 35 12.057 1.794 0.462 1.00 0.00 N ATOM 73 CA HIS A 35 11.106 2.572 1.263 1.00 0.00 C ATOM 74 C HIS A 35 10.151 1.646 2.023 1.00 0.00 C ATOM 75 O HIS A 35 10.117 0.434 1.806 1.00 0.00 O ATOM 76 CB HIS A 35 10.207 3.513 0.455 1.00 0.00 C ATOM 77 CG HIS A 35 10.860 4.283 -0.704 1.00 0.00 C ATOM 78 ND1 HIS A 35 12.074 4.829 -0.734 1.00 0.00 N ATOM 79 CD2 HIS A 35 10.269 4.570 -1.853 1.00 0.00 C ATOM 80 CE1 HIS A 35 12.212 5.477 -1.878 1.00 0.00 C ATOM 81 NE2 HIS A 35 11.106 5.307 -2.579 1.00 0.00 N ATOM 0 H HIS A 35 11.679 1.434 -0.414 1.00 0.00 H new ATOM 0 HA HIS A 35 11.744 3.164 1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.382 2.927 0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.774 4.240 1.142 1.00 0.00 H new ATOM 0 HD1 HIS A 35 12.778 4.759 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.278 4.260 -2.150 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.077 6.046 -2.185 1.00 0.00 H new ATOM 82 N PHE A 36 9.576 2.222 3.059 1.00 0.00 N ATOM 83 CA PHE A 36 8.454 1.661 3.825 1.00 0.00 C ATOM 84 C PHE A 36 7.225 2.556 3.719 1.00 0.00 C ATOM 85 O PHE A 36 7.325 3.778 3.578 1.00 0.00 O ATOM 86 CB PHE A 36 8.898 1.562 5.273 1.00 0.00 C ATOM 87 CG PHE A 36 9.644 0.255 5.512 1.00 0.00 C ATOM 88 CD1 PHE A 36 11.044 0.211 5.319 1.00 0.00 C ATOM 89 CD2 PHE A 36 8.951 -0.848 6.054 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.761 -0.948 5.677 1.00 0.00 C ATOM 91 CE2 PHE A 36 9.668 -2.007 6.412 1.00 0.00 C ATOM 92 CZ PHE A 36 11.067 -2.046 6.227 1.00 0.00 C ATOM 0 H PHE A 36 9.880 3.129 3.413 1.00 0.00 H new ATOM 0 HA PHE A 36 8.184 0.681 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.542 2.406 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.031 1.618 5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.561 1.061 4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.881 -0.804 6.193 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.830 -0.995 5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.151 -2.860 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.615 -2.932 6.511 1.00 0.00 H new ATOM 93 N LEU A 37 6.095 1.862 3.673 1.00 0.00 N ATOM 94 CA LEU A 37 4.760 2.472 3.555 1.00 0.00 C ATOM 95 C LEU A 37 4.297 3.130 4.875 1.00 0.00 C ATOM 96 O LEU A 37 3.612 2.549 5.709 1.00 0.00 O ATOM 97 CB LEU A 37 3.826 1.365 3.080 1.00 0.00 C ATOM 98 CG LEU A 37 2.509 1.954 2.567 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.690 2.689 1.238 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.525 0.803 2.367 1.00 0.00 C ATOM 0 H LEU A 37 6.071 0.843 3.717 1.00 0.00 H new ATOM 0 HA LEU A 37 4.766 3.294 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.307 0.791 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.627 0.674 3.899 1.00 0.00 H new ATOM 0 HG LEU A 37 2.142 2.676 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.731 3.091 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.400 3.506 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.068 1.995 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.576 1.195 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.931 0.099 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.365 0.292 3.316 1.00 0.00 H new ATOM 101 N ARG A 38 4.544 4.428 4.935 1.00 0.00 N ATOM 102 CA ARG A 38 4.377 5.232 6.157 1.00 0.00 C ATOM 103 C ARG A 38 3.211 6.209 6.024 1.00 0.00 C ATOM 104 O ARG A 38 3.192 7.069 5.141 1.00 0.00 O ATOM 105 CB ARG A 38 5.667 5.998 6.465 1.00 0.00 C ATOM 106 CG ARG A 38 6.770 5.090 7.027 1.00 0.00 C ATOM 107 CD ARG A 38 7.170 5.424 8.472 1.00 0.00 C ATOM 108 NE ARG A 38 7.619 6.824 8.549 1.00 0.00 N ATOM 109 CZ ARG A 38 7.924 7.521 9.637 1.00 0.00 C ATOM 110 NH1 ARG A 38 7.968 6.987 10.858 1.00 0.00 N ATOM 111 NH2 ARG A 38 8.250 8.802 9.507 1.00 0.00 N ATOM 0 H ARG A 38 4.870 4.969 4.134 1.00 0.00 H new ATOM 0 HA ARG A 38 4.157 4.551 6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.026 6.480 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.453 6.790 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.433 4.054 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.651 5.166 6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.323 5.266 9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.966 4.757 8.803 1.00 0.00 H new ATOM 0 HE ARG A 38 7.706 7.317 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.761 5.997 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.208 7.569 11.661 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.263 9.234 8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.487 9.354 10.331 1.00 0.00 H new ATOM 112 N ILE A 39 2.240 6.009 6.905 1.00 0.00 N ATOM 113 CA ILE A 39 1.015 6.834 6.981 1.00 0.00 C ATOM 114 C ILE A 39 1.024 7.789 8.177 1.00 0.00 C ATOM 115 O ILE A 39 1.058 7.397 9.348 1.00 0.00 O ATOM 116 CB ILE A 39 -0.250 5.957 6.894 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.529 6.803 7.055 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.188 4.740 7.829 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.823 6.089 6.644 1.00 0.00 C ATOM 0 H ILE A 39 2.270 5.264 7.601 1.00 0.00 H new ATOM 0 HA ILE A 39 0.997 7.486 6.108 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.291 5.533 5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.615 7.112 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.426 7.711 6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.103 4.157 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.668 4.120 7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.085 5.078 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.670 6.759 6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.763 5.804 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.956 5.196 7.255 1.00 0.00 H new ATOM 120 N LEU A 40 0.913 9.057 7.812 1.00 0.00 N ATOM 121 CA LEU A 40 0.837 10.174 8.759 1.00 0.00 C ATOM 122 C LEU A 40 -0.611 10.326 9.279 1.00 0.00 C ATOM 123 O LEU A 40 -1.546 10.216 8.486 1.00 0.00 O ATOM 124 CB LEU A 40 1.290 11.471 8.055 1.00 0.00 C ATOM 125 CG LEU A 40 2.739 11.369 7.564 1.00 0.00 C ATOM 126 CD1 LEU A 40 3.016 12.461 6.544 1.00 0.00 C ATOM 127 CD2 LEU A 40 3.744 11.399 8.718 1.00 0.00 C ATOM 0 H LEU A 40 0.872 9.350 6.836 1.00 0.00 H new ATOM 0 HA LEU A 40 1.492 9.978 9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.632 11.676 7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.196 12.311 8.743 1.00 0.00 H new ATOM 0 HG LEU A 40 2.867 10.401 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.047 12.383 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.340 12.347 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.860 13.437 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.756 11.324 8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.638 12.334 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.554 10.560 9.388 1.00 0.00 H new ATOM 128 N PRO A 41 -0.770 10.622 10.578 1.00 0.00 N ATOM 129 CA PRO A 41 -2.083 10.847 11.227 1.00 0.00 C ATOM 130 C PRO A 41 -3.068 11.716 10.425 1.00 0.00 C ATOM 131 O PRO A 41 -4.271 11.482 10.484 1.00 0.00 O ATOM 132 CB PRO A 41 -1.730 11.486 12.567 1.00 0.00 C ATOM 133 CG PRO A 41 -0.386 10.840 12.930 1.00 0.00 C ATOM 134 CD PRO A 41 0.312 10.672 11.580 1.00 0.00 C ATOM 0 HA PRO A 41 -2.624 9.905 11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.645 12.570 12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.490 11.282 13.321 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.193 11.472 13.604 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.525 9.882 13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.990 11.502 11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.909 9.760 11.558 1.00 0.00 H new ATOM 135 N ASP A 42 -2.554 12.744 9.760 1.00 0.00 N ATOM 136 CA ASP A 42 -3.300 13.623 8.825 1.00 0.00 C ATOM 137 C ASP A 42 -3.604 13.061 7.424 1.00 0.00 C ATOM 138 O ASP A 42 -3.529 13.788 6.435 1.00 0.00 O ATOM 139 CB ASP A 42 -2.567 14.975 8.763 1.00 0.00 C ATOM 140 CG ASP A 42 -1.174 14.883 8.141 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.303 14.287 8.823 1.00 0.00 O ATOM 142 OD2 ASP A 42 -0.982 15.388 7.020 1.00 0.00 O ATOM 0 H ASP A 42 -1.573 13.010 9.850 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.304 13.724 9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.168 15.679 8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.480 15.379 9.772 1.00 0.00 H new ATOM 143 N GLY A 43 -3.914 11.767 7.353 1.00 0.00 N ATOM 144 CA GLY A 43 -4.313 11.081 6.115 1.00 0.00 C ATOM 145 C GLY A 43 -3.157 10.668 5.178 1.00 0.00 C ATOM 146 O GLY A 43 -3.194 9.595 4.574 1.00 0.00 O ATOM 0 H GLY A 43 -3.896 11.151 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.877 10.187 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.990 11.732 5.562 1.00 0.00 H new ATOM 147 N THR A 44 -2.253 11.615 4.947 1.00 0.00 N ATOM 148 CA THR A 44 -1.100 11.516 4.036 1.00 0.00 C ATOM 149 C THR A 44 -0.241 10.263 4.236 1.00 0.00 C ATOM 150 O THR A 44 0.521 10.123 5.196 1.00 0.00 O ATOM 151 CB THR A 44 -0.197 12.742 4.226 1.00 0.00 C ATOM 152 OG1 THR A 44 -0.996 13.852 4.633 1.00 0.00 O ATOM 153 CG2 THR A 44 0.536 13.090 2.929 1.00 0.00 C ATOM 0 H THR A 44 -2.301 12.522 5.411 1.00 0.00 H new ATOM 0 HA THR A 44 -1.521 11.460 3.032 1.00 0.00 H new ATOM 0 HB THR A 44 0.547 12.513 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.744 14.121 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.169 13.962 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.154 12.246 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.192 13.310 2.148 1.00 0.00 H new ATOM 154 N VAL A 45 -0.270 9.433 3.199 1.00 0.00 N ATOM 155 CA VAL A 45 0.584 8.237 3.120 1.00 0.00 C ATOM 156 C VAL A 45 1.757 8.577 2.187 1.00 0.00 C ATOM 157 O VAL A 45 1.611 9.251 1.172 1.00 0.00 O ATOM 158 CB VAL A 45 -0.117 6.993 2.573 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.560 5.697 3.041 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.599 6.886 2.982 1.00 0.00 C ATOM 0 H VAL A 45 -0.879 9.562 2.391 1.00 0.00 H new ATOM 0 HA VAL A 45 0.891 7.991 4.136 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.044 7.110 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.029 4.839 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.594 5.682 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.538 5.648 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.029 5.979 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.675 6.849 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.143 7.754 2.610 1.00 0.00 H new ATOM 161 N ASP A 46 2.924 8.089 2.594 1.00 0.00 N ATOM 162 CA ASP A 46 4.186 8.309 1.886 1.00 0.00 C ATOM 163 C ASP A 46 5.116 7.075 1.958 1.00 0.00 C ATOM 164 O ASP A 46 4.873 6.139 2.717 1.00 0.00 O ATOM 165 CB ASP A 46 4.858 9.559 2.471 1.00 0.00 C ATOM 166 CG ASP A 46 5.428 9.413 3.885 1.00 0.00 C ATOM 167 OD1 ASP A 46 6.535 8.826 3.989 1.00 0.00 O ATOM 168 OD2 ASP A 46 4.760 9.895 4.821 1.00 0.00 O ATOM 0 H ASP A 46 3.024 7.522 3.436 1.00 0.00 H new ATOM 0 HA ASP A 46 3.981 8.464 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.666 9.859 1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.130 10.370 2.476 1.00 0.00 H new ATOM 169 N GLY A 47 6.223 7.217 1.237 1.00 0.00 N ATOM 170 CA GLY A 47 7.355 6.272 1.228 1.00 0.00 C ATOM 171 C GLY A 47 8.502 6.873 2.057 1.00 0.00 C ATOM 172 O GLY A 47 8.775 8.069 2.005 1.00 0.00 O ATOM 0 H GLY A 47 6.371 8.016 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.050 5.312 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.684 6.086 0.206 1.00 0.00 H new ATOM 173 N THR A 48 9.073 5.997 2.893 1.00 0.00 N ATOM 174 CA THR A 48 10.151 6.335 3.842 1.00 0.00 C ATOM 175 C THR A 48 11.199 5.225 3.930 1.00 0.00 C ATOM 176 O THR A 48 10.900 4.125 4.390 1.00 0.00 O ATOM 177 CB THR A 48 9.500 6.703 5.187 1.00 0.00 C ATOM 178 OG1 THR A 48 9.033 8.055 5.129 1.00 0.00 O ATOM 179 CG2 THR A 48 10.322 6.507 6.470 1.00 0.00 C ATOM 0 H THR A 48 8.797 5.016 2.933 1.00 0.00 H new ATOM 0 HA THR A 48 10.716 7.199 3.494 1.00 0.00 H new ATOM 0 HB THR A 48 8.699 5.971 5.288 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.162 8.081 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.728 6.810 7.332 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.597 5.457 6.569 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.225 7.115 6.420 1.00 0.00 H new ATOM 180 N ARG A 49 12.446 5.619 3.667 1.00 0.00 N ATOM 181 CA ARG A 49 13.652 4.742 3.700 1.00 0.00 C ATOM 182 C ARG A 49 14.025 4.161 5.081 1.00 0.00 C ATOM 183 O ARG A 49 15.044 3.484 5.249 1.00 0.00 O ATOM 184 CB ARG A 49 14.881 5.527 3.205 1.00 0.00 C ATOM 185 CG ARG A 49 14.945 5.824 1.695 1.00 0.00 C ATOM 186 CD ARG A 49 14.058 6.972 1.212 1.00 0.00 C ATOM 187 NE ARG A 49 14.217 8.177 2.061 1.00 0.00 N ATOM 188 CZ ARG A 49 13.228 8.887 2.580 1.00 0.00 C ATOM 189 NH1 ARG A 49 11.953 8.679 2.285 1.00 0.00 N ATOM 190 NH2 ARG A 49 13.424 9.527 3.720 1.00 0.00 N ATOM 0 H ARG A 49 12.668 6.583 3.416 1.00 0.00 H new ATOM 0 HA ARG A 49 13.383 3.902 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.918 6.475 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.776 4.969 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.978 6.050 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.667 4.920 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.309 7.217 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.015 6.655 1.220 1.00 0.00 H new ATOM 0 HE ARG A 49 15.169 8.485 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.695 7.942 1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.230 9.256 2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.328 9.470 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.671 10.078 4.132 1.00 0.00 H new ATOM 191 N ASP A 50 13.190 4.441 6.064 1.00 0.00 N ATOM 192 CA ASP A 50 13.433 4.072 7.476 1.00 0.00 C ATOM 193 C ASP A 50 12.393 3.073 7.998 1.00 0.00 C ATOM 194 O ASP A 50 11.186 3.215 7.787 1.00 0.00 O ATOM 195 CB ASP A 50 13.453 5.340 8.337 1.00 0.00 C ATOM 196 CG ASP A 50 14.621 6.248 7.959 1.00 0.00 C ATOM 197 OD1 ASP A 50 15.697 6.058 8.563 1.00 0.00 O ATOM 198 OD2 ASP A 50 14.412 7.113 7.079 1.00 0.00 O ATOM 0 H ASP A 50 12.310 4.936 5.919 1.00 0.00 H new ATOM 0 HA ASP A 50 14.401 3.575 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.515 5.881 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.528 5.067 9.389 1.00 0.00 H new ATOM 199 N ARG A 51 12.920 2.129 8.761 1.00 0.00 N ATOM 200 CA ARG A 51 12.154 1.042 9.400 1.00 0.00 C ATOM 201 C ARG A 51 11.649 1.512 10.778 1.00 0.00 C ATOM 202 O ARG A 51 11.950 0.948 11.833 1.00 0.00 O ATOM 203 CB ARG A 51 13.119 -0.128 9.486 1.00 0.00 C ATOM 204 CG ARG A 51 12.378 -1.434 9.766 1.00 0.00 C ATOM 205 CD ARG A 51 13.360 -2.597 9.722 1.00 0.00 C ATOM 206 NE ARG A 51 12.549 -3.821 9.826 1.00 0.00 N ATOM 207 CZ ARG A 51 12.357 -4.729 8.867 1.00 0.00 C ATOM 208 NH1 ARG A 51 12.959 -4.682 7.680 1.00 0.00 N ATOM 209 NH2 ARG A 51 11.577 -5.762 9.109 1.00 0.00 N ATOM 0 H ARG A 51 13.918 2.086 8.966 1.00 0.00 H new ATOM 0 HA ARG A 51 11.264 0.750 8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.674 -0.215 8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.849 0.056 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.896 -1.388 10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.590 -1.582 9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.934 -2.587 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.076 -2.533 10.541 1.00 0.00 H new ATOM 0 HE ARG A 51 12.088 -3.992 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.606 -3.923 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.773 -5.405 6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.129 -5.860 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.421 -6.464 8.385 1.00 0.00 H new ATOM 210 N SER A 52 10.713 2.445 10.729 1.00 0.00 N ATOM 211 CA SER A 52 10.237 3.130 11.939 1.00 0.00 C ATOM 212 C SER A 52 8.716 3.011 12.045 1.00 0.00 C ATOM 213 O SER A 52 7.962 3.851 11.553 1.00 0.00 O ATOM 214 CB SER A 52 10.655 4.601 11.946 1.00 0.00 C ATOM 215 OG SER A 52 12.076 4.692 11.782 1.00 0.00 O ATOM 0 H SER A 52 10.262 2.752 9.867 1.00 0.00 H new ATOM 0 HA SER A 52 10.695 2.648 12.803 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.150 5.138 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.355 5.072 12.882 1.00 0.00 H new ATOM 0 HG SER A 52 12.346 5.634 11.784 1.00 0.00 H new ATOM 216 N ASP A 53 8.325 1.841 12.544 1.00 0.00 N ATOM 217 CA ASP A 53 6.914 1.436 12.776 1.00 0.00 C ATOM 218 C ASP A 53 6.110 2.226 13.827 1.00 0.00 C ATOM 219 O ASP A 53 5.669 1.760 14.875 1.00 0.00 O ATOM 220 CB ASP A 53 6.816 -0.082 12.998 1.00 0.00 C ATOM 221 CG ASP A 53 7.550 -0.580 14.245 1.00 0.00 C ATOM 222 OD1 ASP A 53 8.769 -0.818 14.104 1.00 0.00 O ATOM 223 OD2 ASP A 53 6.899 -0.687 15.296 1.00 0.00 O ATOM 0 H ASP A 53 8.991 1.116 12.811 1.00 0.00 H new ATOM 0 HA ASP A 53 6.411 1.716 11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.765 -0.360 13.073 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.219 -0.593 12.124 1.00 0.00 H new ATOM 224 N GLN A 54 6.122 3.498 13.503 1.00 0.00 N ATOM 225 CA GLN A 54 5.310 4.571 14.093 1.00 0.00 C ATOM 226 C GLN A 54 4.144 4.832 13.118 1.00 0.00 C ATOM 227 O GLN A 54 2.984 4.541 13.415 1.00 0.00 O ATOM 228 CB GLN A 54 6.256 5.768 14.178 1.00 0.00 C ATOM 229 CG GLN A 54 5.695 6.916 15.021 1.00 0.00 C ATOM 230 CD GLN A 54 6.681 8.085 15.105 1.00 0.00 C ATOM 231 OE1 GLN A 54 7.894 7.985 15.045 1.00 0.00 O ATOM 232 NE2 GLN A 54 6.105 9.258 15.146 1.00 0.00 N ATOM 0 H GLN A 54 6.738 3.849 12.770 1.00 0.00 H new ATOM 0 HA GLN A 54 4.893 4.348 15.075 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.206 5.444 14.603 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.464 6.132 13.172 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.756 7.261 14.588 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.470 6.556 16.025 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.088 9.326 15.196 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.672 10.106 15.128 1.00 0.00 H new ATOM 233 N HIS A 55 4.548 5.074 11.867 1.00 0.00 N ATOM 234 CA HIS A 55 3.631 5.346 10.749 1.00 0.00 C ATOM 235 C HIS A 55 3.397 4.099 9.877 1.00 0.00 C ATOM 236 O HIS A 55 2.295 3.888 9.376 1.00 0.00 O ATOM 237 CB HIS A 55 4.140 6.527 9.922 1.00 0.00 C ATOM 238 CG HIS A 55 4.301 7.804 10.752 1.00 0.00 C ATOM 239 ND1 HIS A 55 5.384 8.575 10.793 1.00 0.00 N ATOM 240 CD2 HIS A 55 3.440 8.262 11.650 1.00 0.00 C ATOM 241 CE1 HIS A 55 5.195 9.502 11.728 1.00 0.00 C ATOM 242 NE2 HIS A 55 3.996 9.313 12.253 1.00 0.00 N ATOM 0 H HIS A 55 5.531 5.087 11.596 1.00 0.00 H new ATOM 0 HA HIS A 55 2.661 5.614 11.168 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.099 6.266 9.475 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.447 6.716 9.102 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.461 7.855 11.857 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.897 10.273 12.009 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.571 9.874 12.991 1.00 0.00 H new ATOM 243 N ILE A 56 4.452 3.312 9.647 1.00 0.00 N ATOM 244 CA ILE A 56 4.344 1.946 9.123 1.00 0.00 C ATOM 245 C ILE A 56 3.820 0.972 10.200 1.00 0.00 C ATOM 246 O ILE A 56 4.535 0.207 10.841 1.00 0.00 O ATOM 247 CB ILE A 56 5.662 1.552 8.410 1.00 0.00 C ATOM 248 CG1 ILE A 56 5.679 0.121 7.908 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.953 1.827 9.172 1.00 0.00 C ATOM 250 CD1 ILE A 56 4.887 0.000 6.606 1.00 0.00 C ATOM 0 H ILE A 56 5.413 3.607 9.820 1.00 0.00 H new ATOM 0 HA ILE A 56 3.581 1.886 8.347 1.00 0.00 H new ATOM 0 HB ILE A 56 5.652 2.237 7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.708 -0.201 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.253 -0.540 8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.805 1.509 8.571 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.033 2.894 9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.945 1.275 10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.910 -1.034 6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.854 0.302 6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.331 0.646 5.848 1.00 0.00 H new ATOM 251 N GLN A 57 2.605 1.344 10.591 1.00 0.00 N ATOM 252 CA GLN A 57 1.728 0.622 11.524 1.00 0.00 C ATOM 253 C GLN A 57 0.363 0.431 10.877 1.00 0.00 C ATOM 254 O GLN A 57 -0.351 1.375 10.553 1.00 0.00 O ATOM 255 CB GLN A 57 1.592 1.369 12.855 1.00 0.00 C ATOM 256 CG GLN A 57 2.603 0.774 13.839 1.00 0.00 C ATOM 257 CD GLN A 57 1.972 0.062 15.038 1.00 0.00 C ATOM 258 OE1 GLN A 57 0.856 -0.459 15.044 1.00 0.00 O ATOM 259 NE2 GLN A 57 2.737 0.009 16.098 1.00 0.00 N ATOM 0 H GLN A 57 2.177 2.204 10.250 1.00 0.00 H new ATOM 0 HA GLN A 57 2.171 -0.350 11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.778 2.434 12.715 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.579 1.271 13.245 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.239 0.068 13.305 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.249 1.572 14.204 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.660 0.444 16.083 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.411 -0.467 16.939 1.00 0.00 H new ATOM 260 N LEU A 58 0.201 -0.831 10.518 1.00 0.00 N ATOM 261 CA LEU A 58 -0.933 -1.293 9.691 1.00 0.00 C ATOM 262 C LEU A 58 -1.357 -2.738 9.972 1.00 0.00 C ATOM 263 O LEU A 58 -0.610 -3.548 10.516 1.00 0.00 O ATOM 264 CB LEU A 58 -0.636 -1.063 8.210 1.00 0.00 C ATOM 265 CG LEU A 58 0.700 -1.615 7.721 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.482 -2.735 6.708 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.441 -0.456 7.048 1.00 0.00 C ATOM 0 H LEU A 58 0.845 -1.575 10.785 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.795 -0.689 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.435 -1.515 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.662 0.009 8.013 1.00 0.00 H new ATOM 0 HG LEU A 58 1.270 -2.025 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.447 -3.115 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.083 -3.542 7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.074 -2.349 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.406 -0.805 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.849 -0.082 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.596 0.345 7.771 1.00 0.00 H new ATOM 268 N GLN A 59 -2.620 -2.970 9.669 1.00 0.00 N ATOM 269 CA GLN A 59 -3.290 -4.264 9.871 1.00 0.00 C ATOM 270 C GLN A 59 -3.915 -4.659 8.533 1.00 0.00 C ATOM 271 O GLN A 59 -4.771 -3.960 8.003 1.00 0.00 O ATOM 272 CB GLN A 59 -4.395 -4.085 10.907 1.00 0.00 C ATOM 273 CG GLN A 59 -5.064 -5.392 11.315 1.00 0.00 C ATOM 274 CD GLN A 59 -6.272 -5.035 12.183 1.00 0.00 C ATOM 275 OE1 GLN A 59 -7.454 -5.111 11.614 1.00 0.00 O flip ATOM 276 NE2 GLN A 59 -6.175 -4.678 13.346 1.00 0.00 N flip ATOM 0 H GLN A 59 -3.230 -2.258 9.267 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.591 -5.026 10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.977 -3.608 11.793 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.151 -3.409 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.376 -5.955 10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.368 -6.024 11.867 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.257 -4.619 13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.012 -4.438 13.877 1.00 0.00 H new ATOM 277 N LEU A 60 -3.381 -5.744 7.989 1.00 0.00 N ATOM 278 CA LEU A 60 -3.903 -6.312 6.722 1.00 0.00 C ATOM 279 C LEU A 60 -5.095 -7.216 6.988 1.00 0.00 C ATOM 280 O LEU A 60 -5.014 -8.442 7.078 1.00 0.00 O ATOM 281 CB LEU A 60 -2.813 -7.043 5.926 1.00 0.00 C ATOM 282 CG LEU A 60 -1.672 -6.130 5.482 1.00 0.00 C ATOM 283 CD1 LEU A 60 -0.552 -6.153 6.522 1.00 0.00 C ATOM 284 CD2 LEU A 60 -1.112 -6.635 4.157 1.00 0.00 C ATOM 0 H LEU A 60 -2.594 -6.255 8.389 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.239 -5.479 6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.407 -7.850 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.263 -7.504 5.047 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.052 -5.114 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.258 -5.500 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.938 -5.805 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.176 -7.171 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.297 -5.986 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.739 -7.651 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.899 -6.629 3.403 1.00 0.00 H new ATOM 285 N SER A 61 -6.232 -6.565 6.865 1.00 0.00 N ATOM 286 CA SER A 61 -7.527 -7.128 7.278 1.00 0.00 C ATOM 287 C SER A 61 -8.315 -7.537 6.028 1.00 0.00 C ATOM 288 O SER A 61 -8.989 -6.719 5.398 1.00 0.00 O ATOM 289 CB SER A 61 -8.200 -6.035 8.100 1.00 0.00 C ATOM 290 OG SER A 61 -9.379 -6.517 8.753 1.00 0.00 O ATOM 0 H SER A 61 -6.298 -5.625 6.475 1.00 0.00 H new ATOM 0 HA SER A 61 -7.445 -8.032 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.500 -5.656 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.459 -5.198 7.451 1.00 0.00 H new ATOM 0 HG SER A 61 -9.785 -5.792 9.272 1.00 0.00 H new ATOM 291 N ALA A 62 -7.824 -8.633 5.473 1.00 0.00 N ATOM 292 CA ALA A 62 -8.436 -9.345 4.335 1.00 0.00 C ATOM 293 C ALA A 62 -9.942 -9.571 4.436 1.00 0.00 C ATOM 294 O ALA A 62 -10.462 -10.084 5.418 1.00 0.00 O ATOM 295 CB ALA A 62 -7.698 -10.682 4.134 1.00 0.00 C ATOM 0 H ALA A 62 -6.965 -9.074 5.802 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.322 -8.692 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.140 -11.219 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.645 -10.489 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.785 -11.285 5.038 1.00 0.00 H new ATOM 296 N GLU A 63 -10.562 -9.311 3.299 1.00 0.00 N ATOM 297 CA GLU A 63 -11.998 -9.570 3.056 1.00 0.00 C ATOM 298 C GLU A 63 -12.148 -10.950 2.393 1.00 0.00 C ATOM 299 O GLU A 63 -12.929 -11.185 1.464 1.00 0.00 O ATOM 300 CB GLU A 63 -12.515 -8.412 2.203 1.00 0.00 C ATOM 301 CG GLU A 63 -14.037 -8.213 2.238 1.00 0.00 C ATOM 302 CD GLU A 63 -14.821 -9.218 1.387 1.00 0.00 C ATOM 303 OE1 GLU A 63 -14.618 -9.206 0.159 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.585 -9.998 1.997 1.00 0.00 O ATOM 0 H GLU A 63 -10.085 -8.906 2.493 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.591 -9.610 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.035 -7.492 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.208 -8.575 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.378 -8.284 3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.268 -7.205 1.895 1.00 0.00 H new ATOM 305 N SER A 64 -11.281 -11.843 2.875 1.00 0.00 N ATOM 306 CA SER A 64 -11.181 -13.281 2.542 1.00 0.00 C ATOM 307 C SER A 64 -10.673 -13.588 1.127 1.00 0.00 C ATOM 308 O SER A 64 -9.558 -14.079 0.955 1.00 0.00 O ATOM 309 CB SER A 64 -12.510 -13.988 2.824 1.00 0.00 C ATOM 310 OG SER A 64 -12.428 -15.343 2.404 1.00 0.00 O ATOM 0 H SER A 64 -10.576 -11.568 3.559 1.00 0.00 H new ATOM 0 HA SER A 64 -10.407 -13.678 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.740 -13.940 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.321 -13.483 2.299 1.00 0.00 H new ATOM 0 HG SER A 64 -13.279 -15.794 2.587 1.00 0.00 H new ATOM 311 N VAL A 65 -11.434 -13.113 0.158 1.00 0.00 N ATOM 312 CA VAL A 65 -11.220 -13.293 -1.294 1.00 0.00 C ATOM 313 C VAL A 65 -10.216 -12.253 -1.822 1.00 0.00 C ATOM 314 O VAL A 65 -10.491 -11.376 -2.637 1.00 0.00 O ATOM 315 CB VAL A 65 -12.575 -13.270 -2.030 1.00 0.00 C ATOM 316 CG1 VAL A 65 -13.285 -14.622 -1.848 1.00 0.00 C ATOM 317 CG2 VAL A 65 -13.510 -12.104 -1.665 1.00 0.00 C ATOM 0 H VAL A 65 -12.267 -12.559 0.358 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.774 -14.269 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.335 -13.098 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -14.242 -14.603 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.664 -15.418 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.453 -14.805 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.433 -12.184 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.741 -12.142 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.020 -11.158 -1.897 1.00 0.00 H new ATOM 318 N GLY A 66 -9.025 -12.412 -1.253 1.00 0.00 N ATOM 319 CA GLY A 66 -7.879 -11.492 -1.408 1.00 0.00 C ATOM 320 C GLY A 66 -8.150 -10.225 -0.591 1.00 0.00 C ATOM 321 O GLY A 66 -8.397 -10.270 0.614 1.00 0.00 O ATOM 0 H GLY A 66 -8.814 -13.207 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.961 -11.972 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.736 -11.240 -2.459 1.00 0.00 H new ATOM 322 N GLU A 67 -8.143 -9.126 -1.341 1.00 0.00 N ATOM 323 CA GLU A 67 -8.465 -7.737 -0.908 1.00 0.00 C ATOM 324 C GLU A 67 -8.360 -7.426 0.587 1.00 0.00 C ATOM 325 O GLU A 67 -9.282 -7.640 1.378 1.00 0.00 O ATOM 326 CB GLU A 67 -9.786 -7.285 -1.551 1.00 0.00 C ATOM 327 CG GLU A 67 -10.961 -8.228 -1.317 1.00 0.00 C ATOM 328 CD GLU A 67 -12.198 -7.759 -2.086 1.00 0.00 C ATOM 329 OE1 GLU A 67 -12.238 -8.029 -3.303 1.00 0.00 O ATOM 330 OE2 GLU A 67 -13.059 -7.126 -1.444 1.00 0.00 O ATOM 0 H GLU A 67 -7.900 -9.166 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.650 -7.120 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.045 -6.300 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.633 -7.175 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.692 -9.236 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.187 -8.277 -0.252 1.00 0.00 H new ATOM 331 N VAL A 68 -7.240 -6.809 0.899 1.00 0.00 N ATOM 332 CA VAL A 68 -6.923 -6.393 2.282 1.00 0.00 C ATOM 333 C VAL A 68 -7.309 -4.940 2.528 1.00 0.00 C ATOM 334 O VAL A 68 -6.987 -4.041 1.756 1.00 0.00 O ATOM 335 CB VAL A 68 -5.467 -6.627 2.713 1.00 0.00 C ATOM 336 CG1 VAL A 68 -5.128 -8.105 2.885 1.00 0.00 C ATOM 337 CG2 VAL A 68 -4.422 -5.959 1.814 1.00 0.00 C ATOM 0 H VAL A 68 -6.517 -6.575 0.219 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.529 -7.050 2.905 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.411 -6.137 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.086 -8.206 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.773 -8.540 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.282 -8.626 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.423 -6.177 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.517 -6.343 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.581 -4.881 1.810 1.00 0.00 H new ATOM 338 N TYR A 69 -8.086 -4.793 3.586 1.00 0.00 N ATOM 339 CA TYR A 69 -8.406 -3.490 4.199 1.00 0.00 C ATOM 340 C TYR A 69 -7.238 -3.167 5.136 1.00 0.00 C ATOM 341 O TYR A 69 -7.030 -3.853 6.132 1.00 0.00 O ATOM 342 CB TYR A 69 -9.649 -3.546 5.082 1.00 0.00 C ATOM 343 CG TYR A 69 -10.963 -3.697 4.338 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.479 -2.557 3.683 1.00 0.00 C ATOM 345 CD2 TYR A 69 -11.746 -4.855 4.548 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.810 -2.551 3.265 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.099 -4.852 4.128 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.610 -3.697 3.488 1.00 0.00 C ATOM 349 OH TYR A 69 -14.886 -3.676 3.034 1.00 0.00 O ATOM 0 H TYR A 69 -8.526 -5.581 4.061 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.575 -2.763 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.545 -4.380 5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.691 -2.636 5.681 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.849 -1.698 3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.320 -5.728 5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.225 -1.682 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -13.728 -5.714 4.293 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.325 -4.525 3.252 1.00 0.00 H new ATOM 350 N ILE A 70 -6.350 -2.287 4.684 1.00 0.00 N ATOM 351 CA ILE A 70 -5.203 -1.935 5.542 1.00 0.00 C ATOM 352 C ILE A 70 -5.578 -0.847 6.554 1.00 0.00 C ATOM 353 O ILE A 70 -5.451 0.359 6.321 1.00 0.00 O ATOM 354 CB ILE A 70 -3.983 -1.636 4.665 1.00 0.00 C ATOM 355 CG1 ILE A 70 -3.673 -2.816 3.709 1.00 0.00 C ATOM 356 CG2 ILE A 70 -2.767 -1.264 5.521 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.561 -2.582 2.689 1.00 0.00 C ATOM 0 H ILE A 70 -6.387 -1.820 3.778 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.917 -2.780 6.168 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.221 -0.773 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.408 -3.685 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.586 -3.069 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.915 -1.057 4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.996 -0.378 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.523 -2.092 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.435 -3.475 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.825 -1.739 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.629 -2.365 3.210 1.00 0.00 H new ATOM 358 N LYS A 71 -5.989 -1.352 7.700 1.00 0.00 N ATOM 359 CA LYS A 71 -6.345 -0.525 8.867 1.00 0.00 C ATOM 360 C LYS A 71 -5.037 -0.116 9.518 1.00 0.00 C ATOM 361 O LYS A 71 -4.318 -0.931 10.083 1.00 0.00 O ATOM 362 CB LYS A 71 -7.157 -1.387 9.835 1.00 0.00 C ATOM 363 CG LYS A 71 -7.832 -0.528 10.911 1.00 0.00 C ATOM 364 CD LYS A 71 -7.024 -0.491 12.218 1.00 0.00 C ATOM 365 CE LYS A 71 -7.730 0.374 13.275 1.00 0.00 C ATOM 366 NZ LYS A 71 -7.133 0.112 14.596 1.00 0.00 N ATOM 0 H LYS A 71 -6.091 -2.354 7.863 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.932 0.351 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.914 -1.944 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.504 -2.120 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.959 0.487 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.829 -0.920 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.894 -1.504 12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.028 -0.094 12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.632 1.430 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.796 0.148 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.887 0.033 15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.593 -0.776 14.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.497 0.894 14.851 1.00 0.00 H new ATOM 367 N SER A 72 -4.741 1.170 9.428 1.00 0.00 N ATOM 368 CA SER A 72 -3.521 1.731 10.022 1.00 0.00 C ATOM 369 C SER A 72 -3.697 1.941 11.521 1.00 0.00 C ATOM 370 O SER A 72 -4.207 2.957 11.981 1.00 0.00 O ATOM 371 CB SER A 72 -3.061 2.988 9.295 1.00 0.00 C ATOM 372 OG SER A 72 -1.967 3.580 10.004 1.00 0.00 O ATOM 0 H SER A 72 -5.326 1.854 8.949 1.00 0.00 H new ATOM 0 HA SER A 72 -2.717 1.006 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.757 2.741 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.885 3.698 9.218 1.00 0.00 H new ATOM 0 HG SER A 72 -1.324 2.884 10.253 1.00 0.00 H new ATOM 373 N THR A 73 -3.657 0.785 12.160 1.00 0.00 N ATOM 374 CA THR A 73 -3.643 0.542 13.626 1.00 0.00 C ATOM 375 C THR A 73 -3.463 1.754 14.545 1.00 0.00 C ATOM 376 O THR A 73 -4.322 2.031 15.385 1.00 0.00 O ATOM 377 CB THR A 73 -2.596 -0.518 13.988 1.00 0.00 C ATOM 378 OG1 THR A 73 -1.316 -0.087 13.522 1.00 0.00 O ATOM 379 CG2 THR A 73 -2.972 -1.872 13.393 1.00 0.00 C ATOM 0 H THR A 73 -3.631 -0.092 11.641 1.00 0.00 H new ATOM 0 HA THR A 73 -4.661 0.203 13.819 1.00 0.00 H new ATOM 0 HB THR A 73 -2.558 -0.638 15.071 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.649 -0.222 14.227 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.216 -2.610 13.662 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.940 -2.185 13.784 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.029 -1.789 12.308 1.00 0.00 H new ATOM 380 N GLU A 74 -2.458 2.563 14.235 1.00 0.00 N ATOM 381 CA GLU A 74 -2.025 3.711 15.043 1.00 0.00 C ATOM 382 C GLU A 74 -2.761 5.032 14.774 1.00 0.00 C ATOM 383 O GLU A 74 -2.993 5.822 15.678 1.00 0.00 O ATOM 384 CB GLU A 74 -0.534 3.946 14.829 1.00 0.00 C ATOM 385 CG GLU A 74 0.166 3.942 16.190 1.00 0.00 C ATOM 386 CD GLU A 74 1.668 4.197 16.095 1.00 0.00 C ATOM 387 OE1 GLU A 74 2.407 3.208 15.923 1.00 0.00 O ATOM 388 OE2 GLU A 74 2.059 5.369 16.332 1.00 0.00 O ATOM 0 H GLU A 74 -1.900 2.440 13.390 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.267 3.435 16.069 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.118 3.169 14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.371 4.898 14.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.286 4.704 16.826 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.003 2.981 16.675 1.00 0.00 H new ATOM 389 N THR A 75 -3.121 5.211 13.514 1.00 0.00 N ATOM 390 CA THR A 75 -3.796 6.434 13.020 1.00 0.00 C ATOM 391 C THR A 75 -5.331 6.290 13.044 1.00 0.00 C ATOM 392 O THR A 75 -6.062 7.268 12.908 1.00 0.00 O ATOM 393 CB THR A 75 -3.420 6.733 11.556 1.00 0.00 C ATOM 394 OG1 THR A 75 -3.784 5.612 10.755 1.00 0.00 O ATOM 395 CG2 THR A 75 -1.944 7.088 11.386 1.00 0.00 C ATOM 0 H THR A 75 -2.959 4.515 12.787 1.00 0.00 H new ATOM 0 HA THR A 75 -3.469 7.234 13.684 1.00 0.00 H new ATOM 0 HB THR A 75 -3.970 7.615 11.230 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.004 5.031 10.632 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.737 7.289 10.335 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.712 7.974 11.977 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.328 6.255 11.725 1.00 0.00 H new ATOM 396 N GLY A 76 -5.737 5.028 12.998 1.00 0.00 N ATOM 397 CA GLY A 76 -7.133 4.553 12.912 1.00 0.00 C ATOM 398 C GLY A 76 -7.718 4.679 11.485 1.00 0.00 C ATOM 399 O GLY A 76 -8.919 4.560 11.300 1.00 0.00 O ATOM 0 H GLY A 76 -5.071 4.256 13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.178 3.511 13.228 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.750 5.124 13.605 1.00 0.00 H new ATOM 400 N GLN A 77 -6.832 4.668 10.491 1.00 0.00 N ATOM 401 CA GLN A 77 -7.213 4.999 9.104 1.00 0.00 C ATOM 402 C GLN A 77 -6.953 3.903 8.080 1.00 0.00 C ATOM 403 O GLN A 77 -5.890 3.295 8.015 1.00 0.00 O ATOM 404 CB GLN A 77 -6.493 6.277 8.686 1.00 0.00 C ATOM 405 CG GLN A 77 -7.140 7.505 9.328 1.00 0.00 C ATOM 406 CD GLN A 77 -6.144 8.661 9.421 1.00 0.00 C ATOM 407 OE1 GLN A 77 -5.455 9.065 8.494 1.00 0.00 O ATOM 408 NE2 GLN A 77 -6.018 9.179 10.622 1.00 0.00 N ATOM 0 H GLN A 77 -5.846 4.435 10.611 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.295 5.127 9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.444 6.220 8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.517 6.374 7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.006 7.812 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.502 7.251 10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.597 8.836 11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.342 9.924 10.788 1.00 0.00 H new ATOM 409 N TYR A 78 -8.004 3.658 7.314 1.00 0.00 N ATOM 410 CA TYR A 78 -8.005 2.698 6.205 1.00 0.00 C ATOM 411 C TYR A 78 -7.230 3.224 4.997 1.00 0.00 C ATOM 412 O TYR A 78 -7.456 4.331 4.522 1.00 0.00 O ATOM 413 CB TYR A 78 -9.449 2.382 5.807 1.00 0.00 C ATOM 414 CG TYR A 78 -10.096 1.516 6.883 1.00 0.00 C ATOM 415 CD1 TYR A 78 -9.852 0.119 6.864 1.00 0.00 C ATOM 416 CD2 TYR A 78 -10.843 2.139 7.900 1.00 0.00 C ATOM 417 CE1 TYR A 78 -10.367 -0.665 7.901 1.00 0.00 C ATOM 418 CE2 TYR A 78 -11.353 1.349 8.942 1.00 0.00 C ATOM 419 CZ TYR A 78 -11.116 -0.037 8.926 1.00 0.00 C ATOM 420 OH TYR A 78 -11.678 -0.828 9.878 1.00 0.00 O ATOM 0 H TYR A 78 -8.901 4.126 7.442 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.506 1.790 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.013 3.306 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.468 1.864 4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.280 -0.330 6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -11.020 3.204 7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.197 -1.731 7.920 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -11.919 1.799 9.744 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.163 -0.271 10.522 1.00 0.00 H new ATOM 421 N LEU A 79 -6.237 2.437 4.629 1.00 0.00 N ATOM 422 CA LEU A 79 -5.412 2.707 3.450 1.00 0.00 C ATOM 423 C LEU A 79 -6.201 2.562 2.150 1.00 0.00 C ATOM 424 O LEU A 79 -6.490 1.463 1.688 1.00 0.00 O ATOM 425 CB LEU A 79 -4.241 1.724 3.528 1.00 0.00 C ATOM 426 CG LEU A 79 -3.000 2.240 2.818 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.371 3.375 3.629 1.00 0.00 C ATOM 428 CD2 LEU A 79 -1.980 1.110 2.702 1.00 0.00 C ATOM 0 H LEU A 79 -5.973 1.591 5.134 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.059 3.738 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.003 1.530 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.539 0.773 3.087 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.282 2.603 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.482 3.740 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.089 4.188 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.093 3.006 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.088 1.476 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.711 0.759 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.411 0.288 2.132 1.00 0.00 H new ATOM 429 N ALA A 80 -6.453 3.715 1.563 1.00 0.00 N ATOM 430 CA ALA A 80 -7.483 3.845 0.522 1.00 0.00 C ATOM 431 C ALA A 80 -7.033 4.689 -0.665 1.00 0.00 C ATOM 432 O ALA A 80 -6.411 5.738 -0.519 1.00 0.00 O ATOM 433 CB ALA A 80 -8.721 4.446 1.184 1.00 0.00 C ATOM 0 H ALA A 80 -5.964 4.583 1.782 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.695 2.860 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.512 4.559 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.063 3.787 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.473 5.422 1.601 1.00 0.00 H new ATOM 434 N MET A 81 -7.392 4.173 -1.844 1.00 0.00 N ATOM 435 CA MET A 81 -7.012 4.785 -3.128 1.00 0.00 C ATOM 436 C MET A 81 -8.016 5.805 -3.694 1.00 0.00 C ATOM 437 O MET A 81 -9.228 5.766 -3.448 1.00 0.00 O ATOM 438 CB MET A 81 -6.807 3.662 -4.157 1.00 0.00 C ATOM 439 CG MET A 81 -6.067 4.105 -5.427 1.00 0.00 C ATOM 440 SD MET A 81 -6.368 3.040 -6.883 1.00 0.00 S ATOM 441 CE MET A 81 -4.704 2.576 -7.303 1.00 0.00 C ATOM 0 H MET A 81 -7.951 3.325 -1.939 1.00 0.00 H new ATOM 0 HA MET A 81 -6.101 5.352 -2.934 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.249 2.851 -3.688 1.00 0.00 H new ATOM 0 HB3 MET A 81 -7.780 3.259 -4.438 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.365 5.125 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.997 4.126 -5.221 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.495 2.865 -8.333 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.006 3.081 -6.636 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.590 1.497 -7.198 1.00 0.00 H new ATOM 442 N ASP A 82 -7.377 6.864 -4.160 1.00 0.00 N ATOM 443 CA ASP A 82 -7.944 7.936 -4.982 1.00 0.00 C ATOM 444 C ASP A 82 -7.721 7.608 -6.475 1.00 0.00 C ATOM 445 O ASP A 82 -6.803 6.871 -6.837 1.00 0.00 O ATOM 446 CB ASP A 82 -7.201 9.184 -4.514 1.00 0.00 C ATOM 447 CG ASP A 82 -7.667 10.486 -5.151 1.00 0.00 C ATOM 448 OD1 ASP A 82 -8.821 10.863 -4.859 1.00 0.00 O ATOM 449 OD2 ASP A 82 -6.940 10.931 -6.061 1.00 0.00 O ATOM 0 H ASP A 82 -6.387 7.014 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.021 8.069 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.307 9.268 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.139 9.055 -4.721 1.00 0.00 H new ATOM 450 N THR A 83 -8.371 8.399 -7.308 1.00 0.00 N ATOM 451 CA THR A 83 -8.350 8.317 -8.789 1.00 0.00 C ATOM 452 C THR A 83 -7.186 9.006 -9.496 1.00 0.00 C ATOM 453 O THR A 83 -7.222 9.295 -10.689 1.00 0.00 O ATOM 454 CB THR A 83 -9.667 8.857 -9.332 1.00 0.00 C ATOM 455 OG1 THR A 83 -10.047 10.014 -8.560 1.00 0.00 O ATOM 456 CG2 THR A 83 -10.741 7.787 -9.324 1.00 0.00 C ATOM 0 H THR A 83 -8.962 9.159 -6.972 1.00 0.00 H new ATOM 0 HA THR A 83 -8.207 7.259 -9.009 1.00 0.00 H new ATOM 0 HB THR A 83 -9.542 9.156 -10.373 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.625 9.737 -7.819 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.670 8.201 -9.717 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.425 6.950 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.901 7.440 -8.303 1.00 0.00 H new ATOM 457 N ASP A 84 -6.164 9.232 -8.688 1.00 0.00 N ATOM 458 CA ASP A 84 -4.808 9.536 -9.150 1.00 0.00 C ATOM 459 C ASP A 84 -3.808 8.443 -8.706 1.00 0.00 C ATOM 460 O ASP A 84 -2.596 8.571 -8.865 1.00 0.00 O ATOM 461 CB ASP A 84 -4.381 10.871 -8.535 1.00 0.00 C ATOM 462 CG ASP A 84 -3.067 11.409 -9.107 1.00 0.00 C ATOM 463 OD1 ASP A 84 -3.029 11.600 -10.336 1.00 0.00 O ATOM 464 OD2 ASP A 84 -2.146 11.611 -8.289 1.00 0.00 O ATOM 0 H ASP A 84 -6.249 9.210 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.808 9.582 -10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.168 11.607 -8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.277 10.750 -7.457 1.00 0.00 H new ATOM 465 N GLY A 85 -4.382 7.335 -8.236 1.00 0.00 N ATOM 466 CA GLY A 85 -3.711 6.303 -7.422 1.00 0.00 C ATOM 467 C GLY A 85 -2.946 6.942 -6.265 1.00 0.00 C ATOM 468 O GLY A 85 -1.737 6.841 -6.161 1.00 0.00 O ATOM 0 H GLY A 85 -5.362 7.117 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.450 5.602 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.025 5.730 -8.046 1.00 0.00 H new ATOM 469 N LEU A 86 -3.706 7.674 -5.466 1.00 0.00 N ATOM 470 CA LEU A 86 -3.146 8.397 -4.319 1.00 0.00 C ATOM 471 C LEU A 86 -3.773 7.818 -3.057 1.00 0.00 C ATOM 472 O LEU A 86 -5.004 7.700 -2.966 1.00 0.00 O ATOM 473 CB LEU A 86 -3.450 9.890 -4.447 1.00 0.00 C ATOM 474 CG LEU A 86 -2.578 10.670 -3.462 1.00 0.00 C ATOM 475 CD1 LEU A 86 -1.475 11.430 -4.207 1.00 0.00 C ATOM 476 CD2 LEU A 86 -3.452 11.679 -2.715 1.00 0.00 C ATOM 0 H LEU A 86 -4.713 7.788 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.063 8.284 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.257 10.226 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.504 10.077 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.120 9.969 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.864 11.979 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.849 10.722 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.927 12.129 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.839 12.240 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.905 12.367 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.236 11.150 -2.173 1.00 0.00 H new ATOM 477 N LEU A 87 -2.910 7.341 -2.177 1.00 0.00 N ATOM 478 CA LEU A 87 -3.415 6.744 -0.944 1.00 0.00 C ATOM 479 C LEU A 87 -3.557 7.755 0.183 1.00 0.00 C ATOM 480 O LEU A 87 -2.724 8.633 0.415 1.00 0.00 O ATOM 481 CB LEU A 87 -2.593 5.559 -0.426 1.00 0.00 C ATOM 482 CG LEU A 87 -2.190 4.513 -1.470 1.00 0.00 C ATOM 483 CD1 LEU A 87 -1.466 3.376 -0.761 1.00 0.00 C ATOM 484 CD2 LEU A 87 -3.381 3.941 -2.252 1.00 0.00 C ATOM 0 H LEU A 87 -1.895 7.351 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.396 6.370 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.687 5.947 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.165 5.060 0.357 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.548 5.010 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.172 2.621 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.578 3.765 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.130 2.927 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.023 3.207 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.074 3.462 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.892 4.747 -2.778 1.00 0.00 H new ATOM 485 N TYR A 88 -4.766 7.679 0.698 1.00 0.00 N ATOM 486 CA TYR A 88 -5.217 8.479 1.843 1.00 0.00 C ATOM 487 C TYR A 88 -5.768 7.585 2.963 1.00 0.00 C ATOM 488 O TYR A 88 -6.130 6.426 2.734 1.00 0.00 O ATOM 489 CB TYR A 88 -6.262 9.530 1.405 1.00 0.00 C ATOM 490 CG TYR A 88 -7.485 8.909 0.729 1.00 0.00 C ATOM 491 CD1 TYR A 88 -7.428 8.677 -0.659 1.00 0.00 C ATOM 492 CD2 TYR A 88 -8.627 8.561 1.495 1.00 0.00 C ATOM 493 CE1 TYR A 88 -8.510 8.050 -1.287 1.00 0.00 C ATOM 494 CE2 TYR A 88 -9.719 7.949 0.857 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.638 7.678 -0.528 1.00 0.00 C ATOM 496 OH TYR A 88 -10.622 6.987 -1.149 1.00 0.00 O ATOM 0 H TYR A 88 -5.484 7.052 0.334 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.352 9.011 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.585 10.099 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.794 10.236 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.562 8.978 -1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.657 8.764 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.481 7.852 -2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.606 7.690 1.416 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.257 6.538 -1.940 1.00 0.00 H new ATOM 497 N GLY A 89 -5.739 8.164 4.148 1.00 0.00 N ATOM 498 CA GLY A 89 -6.248 7.555 5.387 1.00 0.00 C ATOM 499 C GLY A 89 -7.755 7.758 5.575 1.00 0.00 C ATOM 500 O GLY A 89 -8.206 8.726 6.189 1.00 0.00 O ATOM 0 H GLY A 89 -5.352 9.097 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.029 6.487 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.720 7.982 6.240 1.00 0.00 H new ATOM 501 N SER A 90 -8.501 6.760 5.123 1.00 0.00 N ATOM 502 CA SER A 90 -9.971 6.757 5.180 1.00 0.00 C ATOM 503 C SER A 90 -10.540 6.371 6.537 1.00 0.00 C ATOM 504 O SER A 90 -10.270 5.322 7.112 1.00 0.00 O ATOM 505 CB SER A 90 -10.513 5.903 4.031 1.00 0.00 C ATOM 506 OG SER A 90 -11.914 5.663 4.145 1.00 0.00 O ATOM 0 H SER A 90 -8.108 5.919 4.701 1.00 0.00 H new ATOM 0 HA SER A 90 -10.315 7.783 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.309 6.402 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.985 4.950 4.010 1.00 0.00 H new ATOM 0 HG SER A 90 -12.074 4.701 4.242 1.00 0.00 H new ATOM 507 N GLN A 91 -11.661 7.060 6.674 1.00 0.00 N ATOM 508 CA GLN A 91 -12.611 6.981 7.791 1.00 0.00 C ATOM 509 C GLN A 91 -13.344 5.617 7.755 1.00 0.00 C ATOM 510 O GLN A 91 -13.632 5.006 8.784 1.00 0.00 O ATOM 511 CB GLN A 91 -13.657 8.048 7.519 1.00 0.00 C ATOM 512 CG GLN A 91 -13.089 9.469 7.543 1.00 0.00 C ATOM 513 CD GLN A 91 -12.943 10.061 8.949 1.00 0.00 C ATOM 514 OE1 GLN A 91 -13.900 10.373 9.637 1.00 0.00 O ATOM 515 NE2 GLN A 91 -11.710 10.196 9.409 1.00 0.00 N ATOM 0 H GLN A 91 -11.958 7.734 5.968 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.100 7.104 8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.112 7.862 6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -14.450 7.968 8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.113 9.467 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.736 10.118 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.916 9.932 8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.553 10.564 10.347 1.00 0.00 H new ATOM 516 N THR A 92 -13.538 5.145 6.529 1.00 0.00 N ATOM 517 CA THR A 92 -14.493 4.082 6.200 1.00 0.00 C ATOM 518 C THR A 92 -13.747 2.925 5.496 1.00 0.00 C ATOM 519 O THR A 92 -12.809 3.176 4.720 1.00 0.00 O ATOM 520 CB THR A 92 -15.599 4.640 5.281 1.00 0.00 C ATOM 521 OG1 THR A 92 -15.039 5.012 4.014 1.00 0.00 O ATOM 522 CG2 THR A 92 -16.313 5.837 5.908 1.00 0.00 C ATOM 0 H THR A 92 -13.029 5.494 5.717 1.00 0.00 H new ATOM 0 HA THR A 92 -14.954 3.708 7.114 1.00 0.00 H new ATOM 0 HB THR A 92 -16.339 3.853 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.080 5.184 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 92 -17.084 6.198 5.227 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.773 5.535 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.592 6.633 6.096 1.00 0.00 H new ATOM 523 N PRO A 93 -14.074 1.686 5.870 1.00 0.00 N ATOM 524 CA PRO A 93 -13.594 0.494 5.146 1.00 0.00 C ATOM 525 C PRO A 93 -14.405 0.310 3.855 1.00 0.00 C ATOM 526 O PRO A 93 -15.441 -0.343 3.811 1.00 0.00 O ATOM 527 CB PRO A 93 -13.755 -0.644 6.141 1.00 0.00 C ATOM 528 CG PRO A 93 -14.895 -0.207 7.055 1.00 0.00 C ATOM 529 CD PRO A 93 -14.698 1.309 7.154 1.00 0.00 C ATOM 0 HA PRO A 93 -12.557 0.559 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.991 -1.581 5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.837 -0.808 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.868 -0.461 6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.835 -0.686 8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.648 1.824 7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -14.060 1.572 7.998 1.00 0.00 H new ATOM 530 N ASN A 94 -13.838 0.829 2.771 1.00 0.00 N ATOM 531 CA ASN A 94 -14.557 0.895 1.499 1.00 0.00 C ATOM 532 C ASN A 94 -13.857 0.101 0.388 1.00 0.00 C ATOM 533 O ASN A 94 -12.696 -0.290 0.515 1.00 0.00 O ATOM 534 CB ASN A 94 -14.767 2.364 1.119 1.00 0.00 C ATOM 535 CG ASN A 94 -13.457 3.168 1.034 1.00 0.00 C ATOM 536 OD1 ASN A 94 -12.418 2.668 0.622 1.00 0.00 O ATOM 537 ND2 ASN A 94 -13.454 4.334 1.625 1.00 0.00 N ATOM 0 H ASN A 94 -12.891 1.208 2.745 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.530 0.419 1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.278 2.413 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.424 2.831 1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.578 4.841 1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.328 4.737 1.963 1.00 0.00 H new ATOM 538 N GLU A 95 -14.567 0.042 -0.727 1.00 0.00 N ATOM 539 CA GLU A 95 -14.141 -0.563 -2.014 1.00 0.00 C ATOM 540 C GLU A 95 -12.771 -0.066 -2.541 1.00 0.00 C ATOM 541 O GLU A 95 -12.086 -0.786 -3.265 1.00 0.00 O ATOM 542 CB GLU A 95 -15.249 -0.274 -3.032 1.00 0.00 C ATOM 543 CG GLU A 95 -15.217 -1.235 -4.217 1.00 0.00 C ATOM 544 CD GLU A 95 -16.149 -0.758 -5.331 1.00 0.00 C ATOM 545 OE1 GLU A 95 -15.794 0.249 -5.962 1.00 0.00 O ATOM 546 OE2 GLU A 95 -17.201 -1.410 -5.518 1.00 0.00 O ATOM 0 H GLU A 95 -15.509 0.431 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.994 -1.631 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.219 -0.342 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.147 0.749 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.199 -1.315 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.514 -2.232 -3.890 1.00 0.00 H new ATOM 547 N GLU A 96 -12.305 1.042 -1.986 1.00 0.00 N ATOM 548 CA GLU A 96 -11.033 1.693 -2.372 1.00 0.00 C ATOM 549 C GLU A 96 -9.850 1.239 -1.527 1.00 0.00 C ATOM 550 O GLU A 96 -8.699 1.414 -1.921 1.00 0.00 O ATOM 551 CB GLU A 96 -11.123 3.218 -2.206 1.00 0.00 C ATOM 552 CG GLU A 96 -11.955 3.915 -3.292 1.00 0.00 C ATOM 553 CD GLU A 96 -13.458 3.601 -3.198 1.00 0.00 C ATOM 554 OE1 GLU A 96 -14.066 3.990 -2.174 1.00 0.00 O ATOM 555 OE2 GLU A 96 -13.937 2.880 -4.100 1.00 0.00 O ATOM 0 H GLU A 96 -12.798 1.534 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.874 1.407 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.556 3.442 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.116 3.634 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.810 4.993 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.588 3.612 -4.273 1.00 0.00 H new ATOM 556 N CYS A 97 -10.181 0.867 -0.294 1.00 0.00 N ATOM 557 CA CYS A 97 -9.239 0.324 0.672 1.00 0.00 C ATOM 558 C CYS A 97 -8.891 -1.161 0.440 1.00 0.00 C ATOM 559 O CYS A 97 -7.869 -1.658 0.924 1.00 0.00 O ATOM 560 CB CYS A 97 -9.773 0.481 2.101 1.00 0.00 C ATOM 561 SG CYS A 97 -8.610 0.043 3.437 1.00 0.00 S ATOM 0 H CYS A 97 -11.133 0.937 0.066 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.325 0.902 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.084 1.516 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.665 -0.136 2.205 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.414 0.439 3.118 1.00 0.00 H new ATOM 562 N LEU A 98 -9.726 -1.808 -0.372 1.00 0.00 N ATOM 563 CA LEU A 98 -9.645 -3.245 -0.686 1.00 0.00 C ATOM 564 C LEU A 98 -8.538 -3.571 -1.670 1.00 0.00 C ATOM 565 O LEU A 98 -8.693 -3.627 -2.889 1.00 0.00 O ATOM 566 CB LEU A 98 -11.032 -3.692 -1.127 1.00 0.00 C ATOM 567 CG LEU A 98 -11.855 -3.919 0.132 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.358 -3.847 -0.176 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.526 -5.220 0.853 1.00 0.00 C ATOM 0 H LEU A 98 -10.500 -1.341 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.357 -3.814 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.497 -2.935 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.972 -4.607 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.583 -3.112 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.925 -4.012 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.600 -2.864 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.617 -4.613 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.152 -5.313 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.713 -6.062 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.477 -5.217 1.148 1.00 0.00 H new ATOM 570 N PHE A 99 -7.425 -3.914 -1.041 1.00 0.00 N ATOM 571 CA PHE A 99 -6.148 -4.076 -1.744 1.00 0.00 C ATOM 572 C PHE A 99 -5.772 -5.529 -1.980 1.00 0.00 C ATOM 573 O PHE A 99 -5.355 -6.291 -1.106 1.00 0.00 O ATOM 574 CB PHE A 99 -5.027 -3.348 -1.030 1.00 0.00 C ATOM 575 CG PHE A 99 -5.197 -1.820 -0.900 1.00 0.00 C ATOM 576 CD1 PHE A 99 -5.950 -1.122 -1.882 1.00 0.00 C ATOM 577 CD2 PHE A 99 -4.385 -1.123 0.008 1.00 0.00 C ATOM 578 CE1 PHE A 99 -5.860 0.276 -1.964 1.00 0.00 C ATOM 579 CE2 PHE A 99 -4.290 0.282 -0.090 1.00 0.00 C ATOM 580 CZ PHE A 99 -5.024 0.966 -1.072 1.00 0.00 C ATOM 0 H PHE A 99 -7.374 -4.088 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.292 -3.625 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.924 -3.770 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.095 -3.548 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.589 -1.665 -2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.839 -1.655 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.429 0.816 -2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.654 0.830 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.944 2.041 -1.142 1.00 0.00 H new ATOM 581 N LEU A 100 -6.140 -5.901 -3.186 1.00 0.00 N ATOM 582 CA LEU A 100 -6.031 -7.271 -3.698 1.00 0.00 C ATOM 583 C LEU A 100 -4.608 -7.764 -3.928 1.00 0.00 C ATOM 584 O LEU A 100 -3.947 -7.405 -4.892 1.00 0.00 O ATOM 585 CB LEU A 100 -6.894 -7.431 -4.941 1.00 0.00 C ATOM 586 CG LEU A 100 -7.745 -8.645 -4.639 1.00 0.00 C ATOM 587 CD1 LEU A 100 -9.212 -8.469 -5.061 1.00 0.00 C ATOM 588 CD2 LEU A 100 -7.187 -9.958 -5.210 1.00 0.00 C ATOM 0 H LEU A 100 -6.535 -5.250 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.406 -7.918 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.507 -6.547 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.286 -7.581 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.708 -8.725 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.771 -9.373 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.644 -7.621 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.263 -8.288 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.854 -10.780 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.112 -9.880 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.199 -10.146 -4.791 1.00 0.00 H new ATOM 589 N GLU A 101 -4.157 -8.445 -2.874 1.00 0.00 N ATOM 590 CA GLU A 101 -2.849 -9.135 -2.841 1.00 0.00 C ATOM 591 C GLU A 101 -2.600 -10.005 -4.082 1.00 0.00 C ATOM 592 O GLU A 101 -3.227 -11.032 -4.312 1.00 0.00 O ATOM 593 CB GLU A 101 -2.611 -9.913 -1.541 1.00 0.00 C ATOM 594 CG GLU A 101 -3.734 -10.844 -1.060 1.00 0.00 C ATOM 595 CD GLU A 101 -4.640 -10.214 0.010 1.00 0.00 C ATOM 596 OE1 GLU A 101 -5.291 -9.195 -0.314 1.00 0.00 O ATOM 597 OE2 GLU A 101 -4.649 -10.770 1.131 1.00 0.00 O ATOM 0 H GLU A 101 -4.687 -8.539 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.105 -8.338 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.708 -10.511 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.408 -9.192 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.344 -11.135 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.292 -11.756 -0.659 1.00 0.00 H new ATOM 598 N ARG A 102 -1.763 -9.429 -4.936 1.00 0.00 N ATOM 599 CA ARG A 102 -1.367 -9.969 -6.242 1.00 0.00 C ATOM 600 C ARG A 102 0.140 -10.271 -6.185 1.00 0.00 C ATOM 601 O ARG A 102 0.997 -9.485 -6.598 1.00 0.00 O ATOM 602 CB ARG A 102 -1.749 -8.892 -7.249 1.00 0.00 C ATOM 603 CG ARG A 102 -1.614 -9.282 -8.719 1.00 0.00 C ATOM 604 CD ARG A 102 -2.720 -10.245 -9.154 1.00 0.00 C ATOM 605 NE ARG A 102 -2.672 -10.467 -10.619 1.00 0.00 N ATOM 606 CZ ARG A 102 -2.069 -11.475 -11.244 1.00 0.00 C ATOM 607 NH1 ARG A 102 -1.393 -12.375 -10.553 1.00 0.00 N ATOM 608 NH2 ARG A 102 -2.170 -11.614 -12.558 1.00 0.00 N ATOM 0 H ARG A 102 -1.319 -8.533 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.855 -10.902 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.782 -8.597 -7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.129 -8.014 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.648 -8.385 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.642 -9.746 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.608 -11.196 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.693 -9.841 -8.874 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.147 -9.780 -11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.332 -12.298 -9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.932 -13.147 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.714 -10.944 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.703 -12.391 -13.026 1.00 0.00 H new ATOM 609 N LEU A 103 0.401 -11.198 -5.285 1.00 0.00 N ATOM 610 CA LEU A 103 1.747 -11.761 -5.028 1.00 0.00 C ATOM 611 C LEU A 103 2.327 -12.381 -6.295 1.00 0.00 C ATOM 612 O LEU A 103 1.745 -13.233 -6.972 1.00 0.00 O ATOM 613 CB LEU A 103 1.647 -12.696 -3.827 1.00 0.00 C ATOM 614 CG LEU A 103 3.009 -13.207 -3.330 1.00 0.00 C ATOM 615 CD1 LEU A 103 3.008 -13.303 -1.800 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.386 -14.555 -3.966 1.00 0.00 C ATOM 0 H LEU A 103 -0.322 -11.602 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 103 2.467 -10.986 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.145 -12.175 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.023 -13.549 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 103 3.768 -12.489 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.977 -13.666 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.818 -12.318 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.228 -13.994 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.355 -14.878 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.631 -15.300 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.439 -14.444 -5.049 1.00 0.00 H new ATOM 617 N GLU A 104 3.446 -11.772 -6.622 1.00 0.00 N ATOM 618 CA GLU A 104 4.197 -11.958 -7.871 1.00 0.00 C ATOM 619 C GLU A 104 4.947 -13.295 -7.942 1.00 0.00 C ATOM 620 O GLU A 104 5.392 -13.836 -6.924 1.00 0.00 O ATOM 621 CB GLU A 104 5.224 -10.833 -7.954 1.00 0.00 C ATOM 622 CG GLU A 104 4.610 -9.440 -8.106 1.00 0.00 C ATOM 623 CD GLU A 104 5.728 -8.415 -8.326 1.00 0.00 C ATOM 624 OE1 GLU A 104 6.304 -8.457 -9.430 1.00 0.00 O ATOM 625 OE2 GLU A 104 5.948 -7.593 -7.418 1.00 0.00 O ATOM 0 H GLU A 104 3.890 -11.096 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 104 3.482 -11.950 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.841 -10.851 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.886 -11.021 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.917 -9.425 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.036 -9.184 -7.215 1.00 0.00 H new ATOM 626 N GLU A 105 5.218 -13.681 -9.183 1.00 0.00 N ATOM 627 CA GLU A 105 6.041 -14.872 -9.527 1.00 0.00 C ATOM 628 C GLU A 105 7.545 -14.586 -9.336 1.00 0.00 C ATOM 629 O GLU A 105 8.290 -14.321 -10.278 1.00 0.00 O ATOM 630 CB GLU A 105 5.750 -15.348 -10.965 1.00 0.00 C ATOM 631 CG GLU A 105 4.393 -16.022 -11.151 1.00 0.00 C ATOM 632 CD GLU A 105 3.279 -15.069 -11.577 1.00 0.00 C ATOM 633 OE1 GLU A 105 3.294 -14.686 -12.771 1.00 0.00 O ATOM 634 OE2 GLU A 105 2.429 -14.743 -10.717 1.00 0.00 O ATOM 0 H GLU A 105 4.875 -13.179 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 105 5.765 -15.674 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.810 -14.491 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.531 -16.045 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.489 -16.809 -11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.107 -16.504 -10.216 1.00 0.00 H new ATOM 635 N ASN A 106 7.863 -14.428 -8.058 1.00 0.00 N ATOM 636 CA ASN A 106 9.210 -14.103 -7.528 1.00 0.00 C ATOM 637 C ASN A 106 9.260 -14.309 -6.007 1.00 0.00 C ATOM 638 O ASN A 106 9.675 -15.362 -5.547 1.00 0.00 O ATOM 639 CB ASN A 106 9.721 -12.716 -7.960 1.00 0.00 C ATOM 640 CG ASN A 106 8.682 -11.588 -8.010 1.00 0.00 C ATOM 641 OD1 ASN A 106 8.261 -11.040 -6.993 1.00 0.00 O ATOM 642 ND2 ASN A 106 8.188 -11.297 -9.193 1.00 0.00 N ATOM 0 H ASN A 106 7.168 -14.524 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 106 9.908 -14.806 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.516 -12.417 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.170 -12.811 -8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.443 -10.606 -9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.550 -11.762 -10.025 1.00 0.00 H new ATOM 643 N HIS A 107 8.700 -13.337 -5.272 1.00 0.00 N ATOM 644 CA HIS A 107 8.600 -13.344 -3.798 1.00 0.00 C ATOM 645 C HIS A 107 7.621 -12.234 -3.347 1.00 0.00 C ATOM 646 O HIS A 107 6.716 -12.474 -2.550 1.00 0.00 O ATOM 647 CB HIS A 107 9.984 -13.075 -3.182 1.00 0.00 C ATOM 648 CG HIS A 107 10.019 -13.359 -1.676 1.00 0.00 C ATOM 649 ND1 HIS A 107 8.953 -13.508 -0.886 1.00 0.00 N ATOM 650 CD2 HIS A 107 11.101 -13.514 -0.928 1.00 0.00 C ATOM 651 CE1 HIS A 107 9.376 -13.739 0.356 1.00 0.00 C ATOM 652 NE2 HIS A 107 10.699 -13.739 0.325 1.00 0.00 N ATOM 0 H HIS A 107 8.293 -12.502 -5.693 1.00 0.00 H new ATOM 0 HA HIS A 107 8.237 -14.317 -3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.728 -13.694 -3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.262 -12.036 -3.360 1.00 0.00 H new ATOM 0 HD1 HIS A 107 7.979 -13.454 -1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.124 -13.467 -1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.755 -13.897 1.226 1.00 0.00 H new ATOM 653 N TYR A 108 7.890 -11.047 -3.875 1.00 0.00 N ATOM 654 CA TYR A 108 7.126 -9.805 -3.681 1.00 0.00 C ATOM 655 C TYR A 108 5.614 -9.961 -3.820 1.00 0.00 C ATOM 656 O TYR A 108 5.083 -10.594 -4.724 1.00 0.00 O ATOM 657 CB TYR A 108 7.565 -8.746 -4.692 1.00 0.00 C ATOM 658 CG TYR A 108 8.983 -8.280 -4.398 1.00 0.00 C ATOM 659 CD1 TYR A 108 9.157 -7.306 -3.387 1.00 0.00 C ATOM 660 CD2 TYR A 108 10.063 -8.951 -4.996 1.00 0.00 C ATOM 661 CE1 TYR A 108 10.456 -7.012 -2.952 1.00 0.00 C ATOM 662 CE2 TYR A 108 11.367 -8.664 -4.556 1.00 0.00 C ATOM 663 CZ TYR A 108 11.542 -7.690 -3.545 1.00 0.00 C ATOM 664 OH TYR A 108 12.787 -7.241 -3.279 1.00 0.00 O ATOM 0 H TYR A 108 8.694 -10.909 -4.488 1.00 0.00 H new ATOM 0 HA TYR A 108 7.340 -9.510 -2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.513 -9.155 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.883 -7.897 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.305 -6.799 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.894 -9.675 -5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.623 -6.279 -2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 108 12.217 -9.176 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 108 13.443 -7.797 -3.749 1.00 0.00 H new ATOM 665 N ASN A 109 5.011 -9.041 -3.096 1.00 0.00 N ATOM 666 CA ASN A 109 3.557 -8.901 -3.074 1.00 0.00 C ATOM 667 C ASN A 109 3.150 -7.504 -3.536 1.00 0.00 C ATOM 668 O ASN A 109 3.604 -6.484 -3.013 1.00 0.00 O ATOM 669 CB ASN A 109 3.047 -9.154 -1.669 1.00 0.00 C ATOM 670 CG ASN A 109 1.546 -9.413 -1.642 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.797 -9.333 -2.599 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.114 -9.862 -0.497 1.00 0.00 N ATOM 0 H ASN A 109 5.505 -8.370 -2.507 1.00 0.00 H new ATOM 0 HA ASN A 109 3.118 -9.630 -3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.570 -10.010 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.277 -8.294 -1.040 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.141 -10.150 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.749 -9.925 0.299 1.00 0.00 H new ATOM 673 N THR A 110 2.148 -7.544 -4.403 1.00 0.00 N ATOM 674 CA THR A 110 1.557 -6.315 -4.934 1.00 0.00 C ATOM 675 C THR A 110 0.085 -6.250 -4.555 1.00 0.00 C ATOM 676 O THR A 110 -0.487 -7.215 -4.064 1.00 0.00 O ATOM 677 CB THR A 110 1.687 -6.137 -6.458 1.00 0.00 C ATOM 678 OG1 THR A 110 0.758 -6.948 -7.165 1.00 0.00 O ATOM 679 CG2 THR A 110 3.106 -6.393 -6.956 1.00 0.00 C ATOM 0 H THR A 110 1.727 -8.404 -4.754 1.00 0.00 H new ATOM 0 HA THR A 110 2.128 -5.503 -4.484 1.00 0.00 H new ATOM 0 HB THR A 110 1.452 -5.092 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.018 -7.889 -7.084 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.143 -6.254 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.791 -5.694 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.399 -7.414 -6.711 1.00 0.00 H new ATOM 680 N TYR A 111 -0.502 -5.074 -4.739 1.00 0.00 N ATOM 681 CA TYR A 111 -1.924 -4.909 -4.410 1.00 0.00 C ATOM 682 C TYR A 111 -2.636 -4.170 -5.538 1.00 0.00 C ATOM 683 O TYR A 111 -2.106 -3.220 -6.109 1.00 0.00 O ATOM 684 CB TYR A 111 -2.130 -4.184 -3.078 1.00 0.00 C ATOM 685 CG TYR A 111 -1.373 -4.804 -1.907 1.00 0.00 C ATOM 686 CD1 TYR A 111 -1.895 -5.949 -1.279 1.00 0.00 C ATOM 687 CD2 TYR A 111 -0.140 -4.233 -1.515 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.158 -6.559 -0.235 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.592 -4.836 -0.476 1.00 0.00 C ATOM 690 CZ TYR A 111 0.078 -5.998 0.140 1.00 0.00 C ATOM 691 OH TYR A 111 0.784 -6.587 1.144 1.00 0.00 O ATOM 0 H TYR A 111 -0.039 -4.241 -5.102 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.355 -5.904 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.817 -3.146 -3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.194 -4.173 -2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.845 -6.358 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.234 -3.347 -2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.537 -7.438 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.534 -4.416 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 111 1.383 -7.265 0.768 1.00 0.00 H new ATOM 692 N ILE A 112 -3.714 -4.810 -5.947 1.00 0.00 N ATOM 693 CA ILE A 112 -4.696 -4.253 -6.893 1.00 0.00 C ATOM 694 C ILE A 112 -5.766 -3.559 -6.049 1.00 0.00 C ATOM 695 O ILE A 112 -6.446 -4.196 -5.241 1.00 0.00 O ATOM 696 CB ILE A 112 -5.262 -5.381 -7.780 1.00 0.00 C ATOM 697 CG1 ILE A 112 -4.304 -5.708 -8.938 1.00 0.00 C ATOM 698 CG2 ILE A 112 -6.715 -5.206 -8.257 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.153 -4.591 -9.992 1.00 0.00 C ATOM 0 H ILE A 112 -3.948 -5.752 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.254 -3.529 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 112 -5.324 -6.243 -7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.321 -5.932 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.654 -6.612 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.001 -6.059 -8.872 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.376 -5.143 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.797 -4.292 -8.845 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.458 -4.914 -10.767 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.124 -4.380 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.770 -3.689 -9.514 1.00 0.00 H new ATOM 700 N SER A 113 -5.864 -2.242 -6.195 1.00 0.00 N ATOM 701 CA SER A 113 -6.983 -1.548 -5.545 1.00 0.00 C ATOM 702 C SER A 113 -8.291 -1.842 -6.275 1.00 0.00 C ATOM 703 O SER A 113 -8.542 -1.406 -7.400 1.00 0.00 O ATOM 704 CB SER A 113 -6.813 -0.042 -5.433 1.00 0.00 C ATOM 705 OG SER A 113 -7.982 0.444 -4.763 1.00 0.00 O ATOM 0 H SER A 113 -5.222 -1.654 -6.727 1.00 0.00 H new ATOM 0 HA SER A 113 -7.003 -1.939 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.912 0.207 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.712 0.413 -6.419 1.00 0.00 H new ATOM 0 HG SER A 113 -8.361 1.193 -5.269 1.00 0.00 H new ATOM 706 N LYS A 114 -9.007 -2.746 -5.608 1.00 0.00 N ATOM 707 CA LYS A 114 -10.289 -3.357 -6.007 1.00 0.00 C ATOM 708 C LYS A 114 -11.108 -2.496 -7.012 1.00 0.00 C ATOM 709 O LYS A 114 -11.296 -2.891 -8.155 1.00 0.00 O ATOM 710 CB LYS A 114 -11.160 -3.637 -4.794 1.00 0.00 C ATOM 711 CG LYS A 114 -12.422 -4.426 -5.144 1.00 0.00 C ATOM 712 CD LYS A 114 -13.363 -4.514 -3.949 1.00 0.00 C ATOM 713 CE LYS A 114 -14.646 -5.211 -4.368 1.00 0.00 C ATOM 714 NZ LYS A 114 -15.571 -5.324 -3.227 1.00 0.00 N ATOM 0 H LYS A 114 -8.689 -3.102 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.016 -4.285 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.581 -4.193 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.444 -2.693 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.934 -3.948 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.149 -5.429 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.887 -5.063 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.585 -3.515 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.122 -4.654 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.417 -6.203 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.442 -5.803 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.121 -5.875 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.804 -4.374 -2.874 1.00 0.00 H new ATOM 715 N LYS A 115 -11.435 -1.277 -6.573 1.00 0.00 N ATOM 716 CA LYS A 115 -12.316 -0.341 -7.305 1.00 0.00 C ATOM 717 C LYS A 115 -11.920 -0.056 -8.769 1.00 0.00 C ATOM 718 O LYS A 115 -12.765 0.290 -9.593 1.00 0.00 O ATOM 719 CB LYS A 115 -12.442 0.970 -6.515 1.00 0.00 C ATOM 720 CG LYS A 115 -11.121 1.720 -6.344 1.00 0.00 C ATOM 721 CD LYS A 115 -11.210 3.090 -7.011 1.00 0.00 C ATOM 722 CE LYS A 115 -9.992 3.946 -6.683 1.00 0.00 C ATOM 723 NZ LYS A 115 -10.178 5.249 -7.326 1.00 0.00 N ATOM 0 H LYS A 115 -11.095 -0.901 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.278 -0.848 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.155 1.621 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.854 0.751 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -10.893 1.836 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -10.307 1.144 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -11.290 2.966 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.115 3.600 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.886 4.063 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.081 3.468 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.250 5.666 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.714 5.127 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -10.702 5.880 -6.687 1.00 0.00 H new ATOM 724 N HIS A 116 -10.617 -0.114 -9.026 1.00 0.00 N ATOM 725 CA HIS A 116 -10.062 0.102 -10.367 1.00 0.00 C ATOM 726 C HIS A 116 -9.338 -1.109 -10.984 1.00 0.00 C ATOM 727 O HIS A 116 -8.529 -0.966 -11.903 1.00 0.00 O ATOM 728 CB HIS A 116 -9.226 1.395 -10.379 1.00 0.00 C ATOM 729 CG HIS A 116 -10.109 2.602 -10.720 1.00 0.00 C ATOM 730 ND1 HIS A 116 -11.439 2.615 -10.744 1.00 0.00 N ATOM 731 CD2 HIS A 116 -9.685 3.773 -11.168 1.00 0.00 C ATOM 732 CE1 HIS A 116 -11.850 3.779 -11.210 1.00 0.00 C ATOM 733 NE2 HIS A 116 -10.759 4.497 -11.477 1.00 0.00 N ATOM 0 H HIS A 116 -9.913 -0.311 -8.315 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.909 0.227 -11.041 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.759 1.542 -9.405 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.421 1.308 -11.109 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -12.044 1.848 -10.449 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.655 4.085 -11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.875 4.091 -11.349 1.00 0.00 H new ATOM 734 N ALA A 117 -9.852 -2.285 -10.652 1.00 0.00 N ATOM 735 CA ALA A 117 -9.375 -3.564 -11.232 1.00 0.00 C ATOM 736 C ALA A 117 -9.510 -3.697 -12.765 1.00 0.00 C ATOM 737 O ALA A 117 -8.624 -4.252 -13.403 1.00 0.00 O ATOM 738 CB ALA A 117 -10.079 -4.736 -10.534 1.00 0.00 C ATOM 0 H ALA A 117 -10.609 -2.395 -9.977 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.300 -3.580 -11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.729 -5.676 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.853 -4.714 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.156 -4.651 -10.678 1.00 0.00 H new ATOM 739 N GLU A 118 -10.418 -2.923 -13.336 1.00 0.00 N ATOM 740 CA GLU A 118 -10.656 -2.899 -14.802 1.00 0.00 C ATOM 741 C GLU A 118 -9.726 -1.965 -15.606 1.00 0.00 C ATOM 742 O GLU A 118 -9.594 -2.068 -16.824 1.00 0.00 O ATOM 743 CB GLU A 118 -12.137 -2.682 -15.168 1.00 0.00 C ATOM 744 CG GLU A 118 -12.929 -1.649 -14.352 1.00 0.00 C ATOM 745 CD GLU A 118 -12.339 -0.239 -14.365 1.00 0.00 C ATOM 746 OE1 GLU A 118 -11.499 0.010 -13.458 1.00 0.00 O ATOM 747 OE2 GLU A 118 -12.727 0.550 -15.250 1.00 0.00 O ATOM 0 H GLU A 118 -11.020 -2.288 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.382 -3.906 -15.118 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.184 -2.389 -16.217 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.648 -3.641 -15.082 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -13.948 -1.606 -14.737 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.992 -1.993 -13.319 1.00 0.00 H new ATOM 748 N LYS A 119 -9.140 -1.053 -14.847 1.00 0.00 N ATOM 749 CA LYS A 119 -8.020 -0.171 -15.252 1.00 0.00 C ATOM 750 C LYS A 119 -6.688 -0.780 -14.784 1.00 0.00 C ATOM 751 O LYS A 119 -5.624 -0.214 -15.035 1.00 0.00 O ATOM 752 CB LYS A 119 -8.338 1.162 -14.598 1.00 0.00 C ATOM 753 CG LYS A 119 -8.119 2.304 -15.586 1.00 0.00 C ATOM 754 CD LYS A 119 -8.395 3.662 -14.941 1.00 0.00 C ATOM 755 CE LYS A 119 -7.984 4.757 -15.931 1.00 0.00 C ATOM 756 NZ LYS A 119 -7.947 6.069 -15.269 1.00 0.00 N ATOM 0 H LYS A 119 -9.434 -0.888 -13.885 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.914 -0.050 -16.330 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.371 1.167 -14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.706 1.304 -13.722 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.093 2.276 -15.954 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.771 2.170 -16.449 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.451 3.755 -14.689 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.835 3.761 -14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.004 4.527 -16.349 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.687 4.784 -16.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.666 6.797 -15.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.890 6.294 -14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.259 6.045 -14.490 1.00 0.00 H new ATOM 757 N ASN A 120 -6.756 -2.002 -14.229 1.00 0.00 N ATOM 758 CA ASN A 120 -5.643 -2.761 -13.647 1.00 0.00 C ATOM 759 C ASN A 120 -4.738 -1.919 -12.728 1.00 0.00 C ATOM 760 O ASN A 120 -3.533 -2.132 -12.617 1.00 0.00 O ATOM 761 CB ASN A 120 -4.908 -3.463 -14.783 1.00 0.00 C ATOM 762 CG ASN A 120 -5.807 -4.451 -15.510 1.00 0.00 C ATOM 763 OD1 ASN A 120 -6.151 -5.525 -15.026 1.00 0.00 O ATOM 764 ND2 ASN A 120 -6.323 -4.050 -16.656 1.00 0.00 N ATOM 0 H ASN A 120 -7.638 -2.512 -14.173 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.033 -3.516 -12.964 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.537 -2.721 -15.490 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.039 -3.987 -14.385 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.007 -4.632 -17.139 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.038 -3.158 -17.059 1.00 0.00 H new ATOM 765 N TRP A 121 -5.406 -1.026 -11.998 1.00 0.00 N ATOM 766 CA TRP A 121 -4.750 -0.083 -11.083 1.00 0.00 C ATOM 767 C TRP A 121 -4.187 -0.725 -9.824 1.00 0.00 C ATOM 768 O TRP A 121 -4.868 -1.048 -8.849 1.00 0.00 O ATOM 769 CB TRP A 121 -5.637 1.116 -10.741 1.00 0.00 C ATOM 770 CG TRP A 121 -5.515 2.255 -11.755 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.234 2.168 -13.064 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.678 3.605 -11.461 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.202 3.374 -13.604 1.00 0.00 N ATOM 774 CE2 TRP A 121 -5.474 4.278 -12.679 1.00 0.00 C ATOM 775 CE3 TRP A 121 -5.987 4.314 -10.288 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -5.571 5.679 -12.745 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.140 5.707 -10.369 1.00 0.00 C ATOM 778 CH2 TRP A 121 -5.955 6.389 -11.595 1.00 0.00 C ATOM 0 H TRP A 121 -6.421 -0.933 -12.022 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.890 0.284 -11.644 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.676 0.790 -10.691 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.371 1.487 -9.751 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.059 1.246 -13.599 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -4.999 3.576 -14.583 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -6.104 3.799 -9.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.354 6.201 -13.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.403 6.266 -9.483 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.109 7.457 -11.647 1.00 0.00 H new ATOM 779 N PHE A 122 -2.869 -0.740 -9.870 1.00 0.00 N ATOM 780 CA PHE A 122 -2.034 -1.288 -8.800 1.00 0.00 C ATOM 781 C PHE A 122 -1.722 -0.204 -7.775 1.00 0.00 C ATOM 782 O PHE A 122 -1.970 0.986 -7.986 1.00 0.00 O ATOM 783 CB PHE A 122 -0.740 -1.776 -9.439 1.00 0.00 C ATOM 784 CG PHE A 122 -0.811 -3.196 -9.996 1.00 0.00 C ATOM 785 CD1 PHE A 122 -0.466 -4.257 -9.132 1.00 0.00 C ATOM 786 CD2 PHE A 122 -0.984 -3.399 -11.389 1.00 0.00 C ATOM 787 CE1 PHE A 122 -0.263 -5.537 -9.671 1.00 0.00 C ATOM 788 CE2 PHE A 122 -0.771 -4.693 -11.918 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.417 -5.750 -11.056 1.00 0.00 C ATOM 0 H PHE A 122 -2.335 -0.370 -10.656 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.549 -2.103 -8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.467 -1.095 -10.245 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.058 -1.728 -8.698 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.360 -4.087 -8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.273 -2.581 -12.033 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.011 -6.358 -9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.879 -4.870 -12.978 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.261 -6.738 -11.463 1.00 0.00 H new ATOM 790 N VAL A 123 -1.281 -0.655 -6.623 1.00 0.00 N ATOM 791 CA VAL A 123 -0.785 0.277 -5.598 1.00 0.00 C ATOM 792 C VAL A 123 0.709 0.073 -5.308 1.00 0.00 C ATOM 793 O VAL A 123 1.118 -0.933 -4.736 1.00 0.00 O ATOM 794 CB VAL A 123 -1.637 0.385 -4.318 1.00 0.00 C ATOM 795 CG1 VAL A 123 -3.083 0.779 -4.631 1.00 0.00 C ATOM 796 CG2 VAL A 123 -1.629 -0.851 -3.415 1.00 0.00 C ATOM 0 H VAL A 123 -1.249 -1.640 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.902 1.260 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 123 -1.145 1.175 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -3.651 0.845 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.096 1.746 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -3.533 0.027 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.259 -0.669 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -2.013 -1.708 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.609 -1.057 -3.089 1.00 0.00 H new ATOM 797 N GLY A 124 1.487 0.937 -5.954 1.00 0.00 N ATOM 798 CA GLY A 124 2.943 1.005 -5.700 1.00 0.00 C ATOM 799 C GLY A 124 3.558 2.372 -5.965 1.00 0.00 C ATOM 800 O GLY A 124 3.762 2.767 -7.113 1.00 0.00 O ATOM 0 H GLY A 124 1.148 1.598 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.133 0.728 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.445 0.266 -6.325 1.00 0.00 H new ATOM 801 N LEU A 125 3.651 3.079 -4.845 1.00 0.00 N ATOM 802 CA LEU A 125 4.288 4.396 -4.656 1.00 0.00 C ATOM 803 C LEU A 125 5.338 4.882 -5.658 1.00 0.00 C ATOM 804 O LEU A 125 6.087 4.139 -6.300 1.00 0.00 O ATOM 805 CB LEU A 125 4.772 4.495 -3.189 1.00 0.00 C ATOM 806 CG LEU A 125 5.701 3.364 -2.745 1.00 0.00 C ATOM 807 CD1 LEU A 125 7.154 3.732 -3.054 1.00 0.00 C ATOM 808 CD2 LEU A 125 5.563 3.153 -1.238 1.00 0.00 C ATOM 0 H LEU A 125 3.256 2.728 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 125 3.497 5.110 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.289 5.445 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.901 4.510 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 125 5.429 2.454 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.810 2.922 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.269 3.891 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.419 4.645 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.225 2.347 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.833 4.071 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.532 2.890 -1.000 1.00 0.00 H new ATOM 809 N LYS A 126 5.525 6.185 -5.529 1.00 0.00 N ATOM 810 CA LYS A 126 6.394 7.013 -6.362 1.00 0.00 C ATOM 811 C LYS A 126 7.707 7.228 -5.608 1.00 0.00 C ATOM 812 O LYS A 126 7.741 7.701 -4.477 1.00 0.00 O ATOM 813 CB LYS A 126 5.619 8.320 -6.570 1.00 0.00 C ATOM 814 CG LYS A 126 6.425 9.354 -7.347 1.00 0.00 C ATOM 815 CD LYS A 126 5.667 10.682 -7.342 1.00 0.00 C ATOM 816 CE LYS A 126 6.375 11.741 -8.183 1.00 0.00 C ATOM 817 NZ LYS A 126 6.394 11.292 -9.577 1.00 0.00 N ATOM 0 H LYS A 126 5.052 6.725 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 126 6.645 6.570 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.692 8.109 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.341 8.733 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.409 9.481 -6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.585 9.015 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.659 10.527 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.566 11.039 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.859 12.698 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.391 11.895 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.535 12.110 -10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.171 10.614 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.490 10.832 -9.806 1.00 0.00 H new ATOM 818 N LYS A 127 8.766 6.940 -6.365 1.00 0.00 N ATOM 819 CA LYS A 127 10.200 7.081 -6.006 1.00 0.00 C ATOM 820 C LYS A 127 10.653 8.351 -5.267 1.00 0.00 C ATOM 821 O LYS A 127 11.520 8.284 -4.393 1.00 0.00 O ATOM 822 CB LYS A 127 11.103 6.789 -7.217 1.00 0.00 C ATOM 823 CG LYS A 127 10.634 7.361 -8.573 1.00 0.00 C ATOM 824 CD LYS A 127 9.722 6.370 -9.311 1.00 0.00 C ATOM 825 CE LYS A 127 9.178 6.990 -10.601 1.00 0.00 C ATOM 826 NZ LYS A 127 8.259 6.042 -11.250 1.00 0.00 N ATOM 0 H LYS A 127 8.650 6.577 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 127 10.318 6.320 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.097 7.182 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.202 5.708 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.101 8.298 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.501 7.591 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 127 10.278 5.462 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.894 6.080 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.659 7.922 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 127 10.000 7.236 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.889 6.462 -12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.768 5.164 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.469 5.829 -10.608 1.00 0.00 H new ATOM 827 N ASN A 128 9.890 9.426 -5.454 1.00 0.00 N ATOM 828 CA ASN A 128 10.058 10.710 -4.744 1.00 0.00 C ATOM 829 C ASN A 128 9.265 10.694 -3.417 1.00 0.00 C ATOM 830 O ASN A 128 8.458 11.583 -3.115 1.00 0.00 O ATOM 831 CB ASN A 128 9.612 11.809 -5.715 1.00 0.00 C ATOM 832 CG ASN A 128 10.198 13.184 -5.369 1.00 0.00 C ATOM 833 OD1 ASN A 128 11.111 13.680 -6.011 1.00 0.00 O ATOM 834 ND2 ASN A 128 9.712 13.794 -4.316 1.00 0.00 N ATOM 0 H ASN A 128 9.116 9.437 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 128 11.093 10.894 -4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.911 11.536 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.524 11.872 -5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 128 10.096 14.693 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 128 8.949 13.370 -3.788 1.00 0.00 H new ATOM 835 N GLY A 129 9.443 9.584 -2.714 1.00 0.00 N ATOM 836 CA GLY A 129 8.841 9.236 -1.409 1.00 0.00 C ATOM 837 C GLY A 129 7.330 9.514 -1.253 1.00 0.00 C ATOM 838 O GLY A 129 6.844 9.612 -0.122 1.00 0.00 O ATOM 0 H GLY A 129 10.054 8.842 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.014 8.176 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.371 9.785 -0.631 1.00 0.00 H new ATOM 839 N SER A 130 6.586 9.363 -2.343 1.00 0.00 N ATOM 840 CA SER A 130 5.161 9.752 -2.380 1.00 0.00 C ATOM 841 C SER A 130 4.312 8.520 -2.676 1.00 0.00 C ATOM 842 O SER A 130 4.718 7.640 -3.442 1.00 0.00 O ATOM 843 CB SER A 130 4.899 10.768 -3.497 1.00 0.00 C ATOM 844 OG SER A 130 3.523 11.160 -3.459 1.00 0.00 O ATOM 0 H SER A 130 6.936 8.975 -3.219 1.00 0.00 H new ATOM 0 HA SER A 130 4.907 10.191 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.542 11.639 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.139 10.332 -4.466 1.00 0.00 H new ATOM 0 HG SER A 130 3.349 11.811 -4.170 1.00 0.00 H new ATOM 845 N CYS A 131 3.122 8.484 -2.123 1.00 0.00 N ATOM 846 CA CYS A 131 2.150 7.424 -2.410 1.00 0.00 C ATOM 847 C CYS A 131 1.214 7.754 -3.566 1.00 0.00 C ATOM 848 O CYS A 131 -0.011 7.765 -3.479 1.00 0.00 O ATOM 849 CB CYS A 131 1.415 7.009 -1.144 1.00 0.00 C ATOM 850 SG CYS A 131 2.476 5.919 -0.130 1.00 0.00 S ATOM 0 H CYS A 131 2.789 9.183 -1.460 1.00 0.00 H new ATOM 0 HA CYS A 131 2.714 6.559 -2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.135 7.893 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.491 6.492 -1.403 1.00 0.00 H new ATOM 0 HG CYS A 131 3.724 6.225 -0.325 1.00 0.00 H new ATOM 851 N LYS A 132 1.917 7.977 -4.666 1.00 0.00 N ATOM 852 CA LYS A 132 1.381 8.269 -6.007 1.00 0.00 C ATOM 853 C LYS A 132 1.764 7.099 -6.923 1.00 0.00 C ATOM 854 O LYS A 132 2.916 6.679 -6.991 1.00 0.00 O ATOM 855 CB LYS A 132 1.935 9.592 -6.536 1.00 0.00 C ATOM 856 CG LYS A 132 1.191 10.063 -7.792 1.00 0.00 C ATOM 857 CD LYS A 132 2.118 10.230 -9.000 1.00 0.00 C ATOM 858 CE LYS A 132 2.657 8.903 -9.530 1.00 0.00 C ATOM 859 NZ LYS A 132 1.590 8.194 -10.272 1.00 0.00 N ATOM 0 H LYS A 132 2.937 7.960 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 132 0.297 8.375 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 132 1.857 10.354 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.995 9.477 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 132 0.408 9.345 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 132 0.699 11.013 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 132 1.577 10.740 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 132 2.955 10.870 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 132 3.511 9.081 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 132 3.010 8.286 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 1.985 7.341 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 0.832 7.922 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 1.203 8.820 -11.006 1.00 0.00 H new ATOM 860 N ARG A 133 0.708 6.411 -7.300 1.00 0.00 N ATOM 861 CA ARG A 133 0.787 5.205 -8.135 1.00 0.00 C ATOM 862 C ARG A 133 -0.045 5.253 -9.437 1.00 0.00 C ATOM 863 O ARG A 133 0.509 5.307 -10.543 1.00 0.00 O ATOM 864 CB ARG A 133 0.542 3.977 -7.241 1.00 0.00 C ATOM 865 CG ARG A 133 -0.563 4.042 -6.185 1.00 0.00 C ATOM 866 CD ARG A 133 -0.033 4.378 -4.792 1.00 0.00 C ATOM 867 NE ARG A 133 0.276 3.127 -4.080 1.00 0.00 N ATOM 868 CZ ARG A 133 1.058 2.949 -3.013 1.00 0.00 C ATOM 869 NH1 ARG A 133 1.734 3.938 -2.461 1.00 0.00 N ATOM 870 NH2 ARG A 133 1.274 1.742 -2.528 1.00 0.00 N ATOM 0 H ARG A 133 -0.245 6.666 -7.039 1.00 0.00 H new ATOM 0 HA ARG A 133 1.794 5.133 -8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.325 3.132 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 133 1.476 3.751 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.297 4.792 -6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.082 3.084 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.861 4.998 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.773 4.954 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 133 -0.166 2.286 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.669 4.879 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.321 3.762 -1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 133 0.841 0.930 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.874 1.620 -1.712 1.00 0.00 H new ATOM 871 N GLY A 134 -1.357 5.195 -9.277 1.00 0.00 N ATOM 872 CA GLY A 134 -2.382 5.268 -10.343 1.00 0.00 C ATOM 873 C GLY A 134 -2.080 4.445 -11.591 1.00 0.00 C ATOM 874 O GLY A 134 -1.684 3.290 -11.483 1.00 0.00 O ATOM 0 H GLY A 134 -1.774 5.090 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.336 4.938 -9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.505 6.311 -10.636 1.00 0.00 H new ATOM 875 N PRO A 135 -2.156 5.089 -12.764 1.00 0.00 N ATOM 876 CA PRO A 135 -2.207 4.359 -14.040 1.00 0.00 C ATOM 877 C PRO A 135 -0.898 3.734 -14.525 1.00 0.00 C ATOM 878 O PRO A 135 -0.899 2.962 -15.487 1.00 0.00 O ATOM 879 CB PRO A 135 -2.804 5.344 -15.038 1.00 0.00 C ATOM 880 CG PRO A 135 -2.389 6.713 -14.503 1.00 0.00 C ATOM 881 CD PRO A 135 -2.166 6.546 -13.002 1.00 0.00 C ATOM 0 HA PRO A 135 -2.815 3.464 -13.913 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.419 5.175 -16.044 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -3.889 5.249 -15.092 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.480 7.061 -14.993 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -3.162 7.456 -14.699 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.225 7.001 -12.692 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -2.958 7.031 -12.431 1.00 0.00 H new ATOM 882 N ARG A 136 0.205 4.092 -13.876 1.00 0.00 N ATOM 883 CA ARG A 136 1.560 3.672 -14.299 1.00 0.00 C ATOM 884 C ARG A 136 2.307 2.648 -13.431 1.00 0.00 C ATOM 885 O ARG A 136 3.429 2.256 -13.755 1.00 0.00 O ATOM 886 CB ARG A 136 2.430 4.910 -14.484 1.00 0.00 C ATOM 887 CG ARG A 136 2.421 5.874 -13.297 1.00 0.00 C ATOM 888 CD ARG A 136 3.463 6.954 -13.562 1.00 0.00 C ATOM 889 NE ARG A 136 3.176 8.143 -12.760 1.00 0.00 N ATOM 890 CZ ARG A 136 2.866 9.345 -13.256 1.00 0.00 C ATOM 891 NH1 ARG A 136 2.604 9.509 -14.539 1.00 0.00 N ATOM 892 NH2 ARG A 136 2.703 10.370 -12.433 1.00 0.00 N ATOM 0 H ARG A 136 0.198 4.680 -13.043 1.00 0.00 H new ATOM 0 HA ARG A 136 1.380 3.127 -15.226 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.456 4.593 -14.671 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.095 5.445 -15.373 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.433 6.319 -13.174 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.649 5.343 -12.373 1.00 0.00 H new ATOM 0 HD2 ARG A 136 4.457 6.577 -13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.467 7.213 -14.621 1.00 0.00 H new ATOM 0 HE ARG A 136 3.215 8.048 -11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.636 8.710 -15.172 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.369 10.435 -14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.814 10.239 -11.428 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.466 11.290 -12.805 1.00 0.00 H new ATOM 893 N THR A 137 1.684 2.228 -12.332 1.00 0.00 N ATOM 894 CA THR A 137 2.323 1.269 -11.402 1.00 0.00 C ATOM 895 C THR A 137 1.811 -0.152 -11.687 1.00 0.00 C ATOM 896 O THR A 137 0.602 -0.379 -11.692 1.00 0.00 O ATOM 897 CB THR A 137 2.057 1.714 -9.961 1.00 0.00 C ATOM 898 OG1 THR A 137 2.759 0.909 -9.018 1.00 0.00 O ATOM 899 CG2 THR A 137 0.562 1.818 -9.643 1.00 0.00 C ATOM 0 H THR A 137 0.748 2.526 -12.056 1.00 0.00 H new ATOM 0 HA THR A 137 3.403 1.253 -11.549 1.00 0.00 H new ATOM 0 HB THR A 137 2.454 2.725 -9.869 1.00 0.00 H new ATOM 0 HG1 THR A 137 3.168 1.484 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 137 0.431 2.137 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 137 0.098 2.546 -10.309 1.00 0.00 H new ATOM 0 HG23 THR A 137 0.091 0.845 -9.785 1.00 0.00 H new ATOM 900 N HIS A 138 2.691 -0.973 -12.251 1.00 0.00 N ATOM 901 CA HIS A 138 2.355 -2.339 -12.682 1.00 0.00 C ATOM 902 C HIS A 138 3.530 -3.315 -12.677 1.00 0.00 C ATOM 903 O HIS A 138 4.700 -2.938 -12.720 1.00 0.00 O ATOM 904 CB HIS A 138 1.606 -2.327 -14.020 1.00 0.00 C ATOM 905 CG HIS A 138 2.248 -1.427 -15.082 1.00 0.00 C ATOM 906 ND1 HIS A 138 3.485 -1.483 -15.551 1.00 0.00 N ATOM 907 CD2 HIS A 138 1.688 -0.305 -15.535 1.00 0.00 C ATOM 908 CE1 HIS A 138 3.707 -0.378 -16.271 1.00 0.00 C ATOM 909 NE2 HIS A 138 2.591 0.342 -16.256 1.00 0.00 N ATOM 0 H HIS A 138 3.662 -0.715 -12.426 1.00 0.00 H new ATOM 0 HA HIS A 138 1.682 -2.732 -11.920 1.00 0.00 H new ATOM 0 HB2 HIS A 138 1.553 -3.345 -14.405 1.00 0.00 H new ATOM 0 HB3 HIS A 138 0.581 -1.997 -13.849 1.00 0.00 H new ATOM 0 HD2 HIS A 138 0.675 0.019 -15.347 1.00 0.00 H new ATOM 0 HE1 HIS A 138 4.627 -0.118 -16.774 1.00 0.00 H new ATOM 0 HE2 HIS A 138 2.453 1.240 -16.720 1.00 0.00 H new ATOM 910 N TYR A 139 3.108 -4.555 -12.493 1.00 0.00 N ATOM 911 CA TYR A 139 3.923 -5.775 -12.423 1.00 0.00 C ATOM 912 C TYR A 139 5.254 -5.704 -13.174 1.00 0.00 C ATOM 913 O TYR A 139 5.367 -5.270 -14.313 1.00 0.00 O ATOM 914 CB TYR A 139 3.076 -6.900 -12.992 1.00 0.00 C ATOM 915 CG TYR A 139 3.552 -8.315 -12.649 1.00 0.00 C ATOM 916 CD1 TYR A 139 4.563 -8.946 -13.422 1.00 0.00 C ATOM 917 CD2 TYR A 139 2.884 -8.998 -11.613 1.00 0.00 C ATOM 918 CE1 TYR A 139 4.923 -10.278 -13.123 1.00 0.00 C ATOM 919 CE2 TYR A 139 3.238 -10.322 -11.319 1.00 0.00 C ATOM 920 CZ TYR A 139 4.265 -10.952 -12.067 1.00 0.00 C ATOM 921 OH TYR A 139 4.639 -12.210 -11.715 1.00 0.00 O ATOM 0 H TYR A 139 2.115 -4.759 -12.379 1.00 0.00 H new ATOM 0 HA TYR A 139 4.200 -5.931 -11.380 1.00 0.00 H new ATOM 0 HB2 TYR A 139 2.054 -6.781 -12.632 1.00 0.00 H new ATOM 0 HB3 TYR A 139 3.046 -6.797 -14.077 1.00 0.00 H new ATOM 0 HD1 TYR A 139 5.049 -8.415 -14.227 1.00 0.00 H new ATOM 0 HD2 TYR A 139 2.105 -8.505 -11.050 1.00 0.00 H new ATOM 0 HE1 TYR A 139 5.692 -10.777 -13.694 1.00 0.00 H new ATOM 0 HE2 TYR A 139 2.733 -10.858 -10.529 1.00 0.00 H new ATOM 0 HH TYR A 139 5.611 -12.240 -11.594 1.00 0.00 H new ATOM 922 N GLY A 140 6.226 -6.047 -12.356 1.00 0.00 N ATOM 923 CA GLY A 140 7.658 -6.062 -12.724 1.00 0.00 C ATOM 924 C GLY A 140 8.377 -4.760 -12.337 1.00 0.00 C ATOM 925 O GLY A 140 9.593 -4.762 -12.138 1.00 0.00 O ATOM 0 H GLY A 140 6.057 -6.332 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 140 8.147 -6.903 -12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 140 7.752 -6.220 -13.798 1.00 0.00 H new ATOM 926 N GLN A 141 7.623 -3.671 -12.250 1.00 0.00 N ATOM 927 CA GLN A 141 8.170 -2.373 -11.853 1.00 0.00 C ATOM 928 C GLN A 141 8.315 -2.303 -10.339 1.00 0.00 C ATOM 929 O GLN A 141 7.392 -2.561 -9.569 1.00 0.00 O ATOM 930 CB GLN A 141 7.279 -1.258 -12.399 1.00 0.00 C ATOM 931 CG GLN A 141 7.344 -1.171 -13.926 1.00 0.00 C ATOM 932 CD GLN A 141 8.766 -0.920 -14.452 1.00 0.00 C ATOM 933 OE1 GLN A 141 9.555 -0.147 -13.920 1.00 0.00 O ATOM 934 NE2 GLN A 141 9.138 -1.635 -15.496 1.00 0.00 N ATOM 0 H GLN A 141 6.623 -3.659 -12.450 1.00 0.00 H new ATOM 0 HA GLN A 141 9.166 -2.244 -12.276 1.00 0.00 H new ATOM 0 HB2 GLN A 141 6.249 -1.432 -12.089 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.585 -0.305 -11.968 1.00 0.00 H new ATOM 0 HG2 GLN A 141 6.962 -2.098 -14.354 1.00 0.00 H new ATOM 0 HG3 GLN A 141 6.689 -0.369 -14.267 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.478 -2.277 -15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.085 -1.546 -15.864 1.00 0.00 H new ATOM 935 N LYS A 142 9.536 -1.970 -9.950 1.00 0.00 N ATOM 936 CA LYS A 142 9.936 -1.790 -8.544 1.00 0.00 C ATOM 937 C LYS A 142 9.015 -0.937 -7.666 1.00 0.00 C ATOM 938 O LYS A 142 8.889 -1.171 -6.471 1.00 0.00 O ATOM 939 CB LYS A 142 11.372 -1.243 -8.517 1.00 0.00 C ATOM 940 CG LYS A 142 12.438 -2.335 -8.648 1.00 0.00 C ATOM 941 CD LYS A 142 12.443 -3.082 -9.986 1.00 0.00 C ATOM 942 CE LYS A 142 13.462 -4.210 -9.916 1.00 0.00 C ATOM 943 NZ LYS A 142 13.324 -5.044 -11.109 1.00 0.00 N ATOM 0 H LYS A 142 10.299 -1.812 -10.608 1.00 0.00 H new ATOM 0 HA LYS A 142 9.859 -2.778 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.495 -0.525 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.530 -0.701 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.419 -1.883 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 142 12.295 -3.059 -7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.452 -3.482 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 142 12.692 -2.399 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 142 14.471 -3.803 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 142 13.303 -4.807 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 14.016 -5.819 -11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.363 -5.439 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 13.495 -4.467 -11.957 1.00 0.00 H new ATOM 944 N ALA A 143 8.284 -0.064 -8.360 1.00 0.00 N ATOM 945 CA ALA A 143 7.122 0.707 -7.880 1.00 0.00 C ATOM 946 C ALA A 143 6.164 -0.093 -6.995 1.00 0.00 C ATOM 947 O ALA A 143 5.989 0.227 -5.829 1.00 0.00 O ATOM 948 CB ALA A 143 6.398 1.254 -9.108 1.00 0.00 C ATOM 0 H ALA A 143 8.496 0.141 -9.336 1.00 0.00 H new ATOM 0 HA ALA A 143 7.486 1.508 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 143 5.530 1.832 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.074 1.895 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.072 0.426 -9.737 1.00 0.00 H new ATOM 949 N ILE A 144 5.771 -1.254 -7.520 1.00 0.00 N ATOM 950 CA ILE A 144 4.794 -2.159 -6.869 1.00 0.00 C ATOM 951 C ILE A 144 5.418 -3.326 -6.099 1.00 0.00 C ATOM 952 O ILE A 144 4.728 -4.163 -5.526 1.00 0.00 O ATOM 953 CB ILE A 144 3.732 -2.699 -7.861 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.299 -3.017 -9.248 1.00 0.00 C ATOM 955 CG2 ILE A 144 2.487 -1.835 -7.892 1.00 0.00 C ATOM 956 CD1 ILE A 144 5.034 -4.347 -9.255 1.00 0.00 C ATOM 0 H ILE A 144 6.117 -1.604 -8.413 1.00 0.00 H new ATOM 0 HA ILE A 144 4.306 -1.520 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 144 3.414 -3.666 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 144 3.489 -3.044 -9.977 1.00 0.00 H new ATOM 0 HG13 ILE A 144 4.979 -2.222 -9.556 1.00 0.00 H new ATOM 0 HG21 ILE A 144 1.772 -2.253 -8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.039 -1.807 -6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 144 2.754 -0.824 -8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 144 5.424 -4.542 -10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 144 5.860 -4.310 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 144 4.347 -5.144 -8.972 1.00 0.00 H new ATOM 957 N LEU A 145 6.740 -3.432 -6.220 1.00 0.00 N ATOM 958 CA LEU A 145 7.563 -4.449 -5.544 1.00 0.00 C ATOM 959 C LEU A 145 7.639 -4.201 -4.028 1.00 0.00 C ATOM 960 O LEU A 145 8.557 -3.571 -3.509 1.00 0.00 O ATOM 961 CB LEU A 145 8.969 -4.438 -6.154 1.00 0.00 C ATOM 962 CG LEU A 145 9.266 -5.691 -6.975 1.00 0.00 C ATOM 963 CD1 LEU A 145 8.470 -5.746 -8.281 1.00 0.00 C ATOM 964 CD2 LEU A 145 10.764 -5.720 -7.290 1.00 0.00 C ATOM 0 H LEU A 145 7.288 -2.800 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 145 7.100 -5.425 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.078 -3.559 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.706 -4.349 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 145 8.967 -6.557 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.722 -6.658 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.403 -5.740 -8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.717 -4.880 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 145 10.995 -6.609 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 145 11.034 -4.830 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 145 11.331 -5.742 -6.359 1.00 0.00 H new ATOM 965 N PHE A 146 6.646 -4.741 -3.325 1.00 0.00 N ATOM 966 CA PHE A 146 6.606 -4.712 -1.862 1.00 0.00 C ATOM 967 C PHE A 146 6.840 -6.114 -1.330 1.00 0.00 C ATOM 968 O PHE A 146 6.428 -7.117 -1.892 1.00 0.00 O ATOM 969 CB PHE A 146 5.248 -4.306 -1.315 1.00 0.00 C ATOM 970 CG PHE A 146 4.884 -2.847 -1.549 1.00 0.00 C ATOM 971 CD1 PHE A 146 4.329 -2.471 -2.791 1.00 0.00 C ATOM 972 CD2 PHE A 146 4.985 -1.929 -0.482 1.00 0.00 C ATOM 973 CE1 PHE A 146 3.873 -1.158 -2.977 1.00 0.00 C ATOM 974 CE2 PHE A 146 4.514 -0.609 -0.662 1.00 0.00 C ATOM 975 CZ PHE A 146 3.958 -0.233 -1.904 1.00 0.00 C ATOM 0 H PHE A 146 5.847 -5.211 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 146 7.364 -3.992 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.484 -4.936 -1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 146 5.228 -4.505 -0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 146 4.256 -3.190 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.417 -2.232 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.461 -0.854 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.579 0.107 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.592 0.774 -2.040 1.00 0.00 H new ATOM 976 N LEU A 147 7.436 -6.105 -0.168 1.00 0.00 N ATOM 977 CA LEU A 147 7.756 -7.321 0.583 1.00 0.00 C ATOM 978 C LEU A 147 7.203 -7.196 2.005 1.00 0.00 C ATOM 979 O LEU A 147 7.652 -6.345 2.779 1.00 0.00 O ATOM 980 CB LEU A 147 9.280 -7.476 0.569 1.00 0.00 C ATOM 981 CG LEU A 147 9.699 -8.883 1.003 1.00 0.00 C ATOM 982 CD1 LEU A 147 9.528 -9.870 -0.151 1.00 0.00 C ATOM 983 CD2 LEU A 147 11.165 -8.855 1.433 1.00 0.00 C ATOM 0 H LEU A 147 7.723 -5.247 0.303 1.00 0.00 H new ATOM 0 HA LEU A 147 7.302 -8.207 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.659 -7.274 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.729 -6.739 1.235 1.00 0.00 H new ATOM 0 HG LEU A 147 9.070 -9.203 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.830 -10.866 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 147 8.483 -9.891 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 147 10.149 -9.559 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.472 -9.854 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.783 -8.529 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.287 -8.162 2.266 1.00 0.00 H new ATOM 984 N PRO A 148 6.040 -7.824 2.231 1.00 0.00 N ATOM 985 CA PRO A 148 5.421 -7.855 3.558 1.00 0.00 C ATOM 986 C PRO A 148 6.356 -8.510 4.577 1.00 0.00 C ATOM 987 O PRO A 148 6.802 -9.644 4.399 1.00 0.00 O ATOM 988 CB PRO A 148 4.142 -8.652 3.339 1.00 0.00 C ATOM 989 CG PRO A 148 3.752 -8.298 1.913 1.00 0.00 C ATOM 990 CD PRO A 148 5.103 -8.327 1.201 1.00 0.00 C ATOM 0 HA PRO A 148 5.215 -6.866 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.310 -9.723 3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.366 -8.371 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.052 -9.018 1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 148 3.278 -7.318 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 148 5.365 -9.334 0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 148 5.104 -7.695 0.313 1.00 0.00 H new ATOM 991 N LEU A 149 6.789 -7.663 5.503 1.00 0.00 N ATOM 992 CA LEU A 149 7.517 -8.076 6.735 1.00 0.00 C ATOM 993 C LEU A 149 6.665 -7.742 7.976 1.00 0.00 C ATOM 994 O LEU A 149 7.085 -7.006 8.859 1.00 0.00 O ATOM 995 CB LEU A 149 8.885 -7.355 6.696 1.00 0.00 C ATOM 996 CG LEU A 149 9.788 -7.897 5.573 1.00 0.00 C ATOM 997 CD1 LEU A 149 10.863 -6.881 5.223 1.00 0.00 C ATOM 998 CD2 LEU A 149 10.397 -9.245 5.956 1.00 0.00 C ATOM 0 H LEU A 149 6.652 -6.655 5.435 1.00 0.00 H new ATOM 0 HA LEU A 149 7.693 -9.150 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.728 -6.286 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.387 -7.477 7.656 1.00 0.00 H new ATOM 0 HG LEU A 149 9.174 -8.060 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 149 11.494 -7.278 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.394 -5.956 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 149 11.473 -6.679 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 149 11.030 -9.602 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 149 10.997 -9.130 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.600 -9.966 6.139 1.00 0.00 H new ATOM 999 N PRO A 150 5.462 -8.339 8.084 1.00 0.00 N ATOM 1000 CA PRO A 150 4.461 -7.847 9.034 1.00 0.00 C ATOM 1001 C PRO A 150 4.440 -8.547 10.389 1.00 0.00 C ATOM 1002 O PRO A 150 4.169 -9.736 10.531 1.00 0.00 O ATOM 1003 CB PRO A 150 3.157 -7.999 8.279 1.00 0.00 C ATOM 1004 CG PRO A 150 3.360 -9.190 7.338 1.00 0.00 C ATOM 1005 CD PRO A 150 4.876 -9.427 7.276 1.00 0.00 C ATOM 0 HA PRO A 150 4.681 -6.821 9.330 1.00 0.00 H new ATOM 0 HB2 PRO A 150 2.327 -8.177 8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 150 2.920 -7.094 7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 150 2.842 -10.074 7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 150 2.957 -8.978 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 150 5.140 -10.405 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 150 5.239 -9.396 6.249 1.00 0.00 H new