USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -1.57 K(o=-1.4,f=-2.6!) USER MOD Set 1.2: A 96 THR OG1 : rot 176:sc= 0.372 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= -0.204 USER MOD Set 2.1: A 73 SER OG : rot 132:sc= -0.504 USER MOD Set 2.2: A 82 HIS : no HE2:sc= -1.6! C(o=-2.1!,f=-8.8!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.0888 USER MOD Set 3.2: A 56 SER OG : rot -71:sc= 0.211 USER MOD Set 4.1: A 19 GLN : amide:sc= -0.603 X(o=-1.8,f=-2.2!) USER MOD Set 4.2: A 36 ASN : amide:sc= -1.16 X(o=-1.8,f=-1.7) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.73 K(o=-1.7,f=0.71) USER MOD Single : A 29 SER OG : rot 99:sc= -2.73! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 33 TYR OH : rot 165:sc= -1.13 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 46:sc= 0.0109 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -2.07 X(o=-2.1,f=-1.7) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= -0.358 (180deg=-0.382) USER MOD Single : A 47 SER OG : rot -25:sc= 0.843 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.311 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.71! C(o=-2.7!,f=-5!) USER MOD Single : A 68 SER OG : rot -23:sc= 0.921 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 60:sc= -1.39 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 79:sc= 1.62 USER MOD Single : A 97 TYR OH : rot 55:sc= -2.64 USER MOD Single : A 100 ASN : amide:sc= -5.61! C(o=-5.6!,f=-13!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0837 USER MOD Single : A 108 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.034) USER MOD Single : A 109 SER OG : rot 171:sc= -5.6! USER MOD Single : A 114 SER OG : rot 170:sc= -0.628 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 125 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 33.652 3.951 -3.602 1.00 0.00 N ATOM 2 CA ARG A 7 32.698 4.906 -4.152 1.00 0.00 C ATOM 3 C ARG A 7 31.265 4.464 -3.875 1.00 0.00 C ATOM 4 O ARG A 7 30.862 3.366 -4.258 1.00 0.00 O ATOM 5 CB ARG A 7 32.915 5.063 -5.659 1.00 0.00 C ATOM 6 CG ARG A 7 34.208 5.780 -6.015 1.00 0.00 C ATOM 7 CD ARG A 7 35.391 4.826 -6.024 1.00 0.00 C ATOM 8 NE ARG A 7 35.997 4.720 -7.348 1.00 0.00 N ATOM 9 CZ ARG A 7 36.587 5.736 -7.971 1.00 0.00 C ATOM 10 NH1 ARG A 7 36.650 6.926 -7.390 1.00 0.00 N ATOM 11 NH2 ARG A 7 37.115 5.561 -9.175 1.00 0.00 N ATOM 0 HA ARG A 7 32.862 5.868 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 7 32.917 4.076 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.075 5.613 -6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 7 34.108 6.247 -6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 7 34.390 6.580 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 7 36.139 5.169 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 7 35.064 3.840 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 7 35.966 3.817 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 7 36.246 7.063 -6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 7 37.103 7.704 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 7 37.069 4.646 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 7 37.567 6.341 -9.652 1.00 0.00 H new ATOM 25 N ARG A 8 30.511 5.315 -3.178 1.00 0.00 N ATOM 26 CA ARG A 8 29.118 5.039 -2.848 1.00 0.00 C ATOM 27 C ARG A 8 28.905 3.576 -2.460 1.00 0.00 C ATOM 28 O ARG A 8 29.852 2.869 -2.114 1.00 0.00 O ATOM 29 CB ARG A 8 28.215 5.403 -4.026 1.00 0.00 C ATOM 30 CG ARG A 8 28.757 6.516 -4.911 1.00 0.00 C ATOM 31 CD ARG A 8 27.649 7.171 -5.720 1.00 0.00 C ATOM 32 NE ARG A 8 27.909 8.587 -5.958 1.00 0.00 N ATOM 33 CZ ARG A 8 27.111 9.371 -6.676 1.00 0.00 C ATOM 34 NH1 ARG A 8 27.415 10.651 -6.847 1.00 0.00 N ATOM 35 NH2 ARG A 8 26.010 8.876 -7.226 1.00 0.00 N ATOM 0 H ARG A 8 30.850 6.211 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 8 28.857 5.653 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.058 4.514 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.240 5.703 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.251 7.266 -4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.512 6.112 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.545 6.656 -6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.701 7.060 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 8 28.749 8.998 -5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 8 28.262 11.035 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 8 26.802 11.252 -7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 8 25.774 7.892 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 8 25.399 9.480 -7.777 1.00 0.00 H new ATOM 49 N CYS A 9 27.656 3.132 -2.522 1.00 0.00 N ATOM 50 CA CYS A 9 27.312 1.759 -2.179 1.00 0.00 C ATOM 51 C CYS A 9 26.769 1.019 -3.397 1.00 0.00 C ATOM 52 O CYS A 9 26.323 1.640 -4.362 1.00 0.00 O ATOM 53 CB CYS A 9 26.271 1.748 -1.061 1.00 0.00 C ATOM 54 SG CYS A 9 26.928 2.219 0.573 1.00 0.00 S ATOM 0 H CYS A 9 26.862 3.705 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 9 28.215 1.252 -1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.462 2.429 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.838 0.750 -0.993 1.00 0.00 H new ATOM 59 N PRO A 10 26.789 -0.323 -3.368 1.00 0.00 N ATOM 60 CA PRO A 10 26.284 -1.140 -4.474 1.00 0.00 C ATOM 61 C PRO A 10 24.774 -1.008 -4.636 1.00 0.00 C ATOM 62 O PRO A 10 24.104 -0.388 -3.810 1.00 0.00 O ATOM 63 CB PRO A 10 26.661 -2.567 -4.074 1.00 0.00 C ATOM 64 CG PRO A 10 26.794 -2.524 -2.593 1.00 0.00 C ATOM 65 CD PRO A 10 27.297 -1.148 -2.259 1.00 0.00 C ATOM 0 HA PRO A 10 26.704 -0.836 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.896 -3.279 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.593 -2.877 -4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.836 -2.716 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.487 -3.288 -2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.919 -0.804 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.385 -1.120 -2.203 1.00 0.00 H new ATOM 73 N SER A 11 24.242 -1.591 -5.705 1.00 0.00 N ATOM 74 CA SER A 11 22.810 -1.530 -5.971 1.00 0.00 C ATOM 75 C SER A 11 22.008 -1.917 -4.728 1.00 0.00 C ATOM 76 O SER A 11 22.025 -3.075 -4.310 1.00 0.00 O ATOM 77 CB SER A 11 22.448 -2.458 -7.132 1.00 0.00 C ATOM 78 OG SER A 11 21.792 -1.748 -8.169 1.00 0.00 O ATOM 0 H SER A 11 24.780 -2.110 -6.399 1.00 0.00 H new ATOM 0 HA SER A 11 22.558 -0.504 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.352 -2.926 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.804 -3.260 -6.773 1.00 0.00 H new ATOM 0 HG SER A 11 21.573 -2.364 -8.899 1.00 0.00 H new ATOM 84 N PRO A 12 21.305 -0.952 -4.103 1.00 0.00 N ATOM 85 CA PRO A 12 20.509 -1.219 -2.902 1.00 0.00 C ATOM 86 C PRO A 12 19.465 -2.302 -3.137 1.00 0.00 C ATOM 87 O PRO A 12 19.107 -2.596 -4.278 1.00 0.00 O ATOM 88 CB PRO A 12 19.832 0.122 -2.593 1.00 0.00 C ATOM 89 CG PRO A 12 19.966 0.934 -3.836 1.00 0.00 C ATOM 90 CD PRO A 12 21.216 0.458 -4.517 1.00 0.00 C ATOM 0 HA PRO A 12 21.128 -1.585 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.784 -0.020 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.310 0.617 -1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.098 0.803 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.031 1.996 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.147 0.557 -5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.090 1.027 -4.200 1.00 0.00 H new ATOM 98 N ARG A 13 18.997 -2.910 -2.054 1.00 0.00 N ATOM 99 CA ARG A 13 17.977 -3.944 -2.150 1.00 0.00 C ATOM 100 C ARG A 13 16.697 -3.352 -2.708 1.00 0.00 C ATOM 101 O ARG A 13 16.612 -2.146 -2.925 1.00 0.00 O ATOM 102 CB ARG A 13 17.714 -4.572 -0.779 1.00 0.00 C ATOM 103 CG ARG A 13 17.098 -5.961 -0.856 1.00 0.00 C ATOM 104 CD ARG A 13 17.712 -6.903 0.167 1.00 0.00 C ATOM 105 NE ARG A 13 17.538 -8.304 -0.207 1.00 0.00 N ATOM 106 CZ ARG A 13 18.113 -9.315 0.437 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.905 -10.562 0.038 1.00 0.00 N ATOM 108 NH2 ARG A 13 18.897 -9.080 1.481 1.00 0.00 N ATOM 0 H ARG A 13 19.306 -2.706 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 13 18.333 -4.725 -2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.653 -4.630 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.051 -3.920 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.023 -5.893 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.240 -6.368 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.775 -6.684 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.255 -6.728 1.141 1.00 0.00 H new ATOM 0 HE ARG A 13 16.942 -8.519 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.303 -10.747 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.347 -11.336 0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.060 -8.122 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.337 -9.857 1.974 1.00 0.00 H new ATOM 122 N ASP A 14 15.709 -4.196 -2.953 1.00 0.00 N ATOM 123 CA ASP A 14 14.447 -3.725 -3.498 1.00 0.00 C ATOM 124 C ASP A 14 13.261 -4.374 -2.805 1.00 0.00 C ATOM 125 O ASP A 14 13.416 -5.132 -1.847 1.00 0.00 O ATOM 126 CB ASP A 14 14.380 -4.000 -4.999 1.00 0.00 C ATOM 127 CG ASP A 14 13.932 -2.788 -5.791 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.403 -2.971 -6.908 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.111 -1.655 -5.296 1.00 0.00 O ATOM 0 H ASP A 14 15.755 -5.201 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 14 14.396 -2.650 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.361 -4.318 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.692 -4.825 -5.184 1.00 0.00 H new ATOM 134 N ILE A 15 12.074 -4.064 -3.305 1.00 0.00 N ATOM 135 CA ILE A 15 10.838 -4.605 -2.758 1.00 0.00 C ATOM 136 C ILE A 15 9.953 -5.147 -3.879 1.00 0.00 C ATOM 137 O ILE A 15 10.040 -4.700 -5.022 1.00 0.00 O ATOM 138 CB ILE A 15 10.073 -3.539 -1.952 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.730 -4.084 -1.467 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.871 -2.288 -2.786 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.135 -3.282 -0.333 1.00 0.00 C ATOM 0 H ILE A 15 11.940 -3.434 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 15 11.099 -5.421 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 15 10.669 -3.279 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.028 -4.097 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.860 -5.117 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.329 -1.545 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.841 -1.884 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.298 -2.535 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.183 -3.722 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.818 -3.290 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.974 -2.255 -0.659 1.00 0.00 H new ATOM 153 N ASP A 16 9.122 -6.129 -3.549 1.00 0.00 N ATOM 154 CA ASP A 16 8.246 -6.754 -4.535 1.00 0.00 C ATOM 155 C ASP A 16 7.034 -5.881 -4.834 1.00 0.00 C ATOM 156 O ASP A 16 6.887 -5.366 -5.942 1.00 0.00 O ATOM 157 CB ASP A 16 7.791 -8.129 -4.042 1.00 0.00 C ATOM 158 CG ASP A 16 8.941 -9.109 -3.918 1.00 0.00 C ATOM 159 OD1 ASP A 16 8.911 -9.944 -2.990 1.00 0.00 O ATOM 160 OD2 ASP A 16 9.870 -9.041 -4.749 1.00 0.00 O ATOM 0 H ASP A 16 9.036 -6.510 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 16 8.814 -6.872 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.303 -8.021 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.048 -8.531 -4.730 1.00 0.00 H new ATOM 165 N ASN A 17 6.169 -5.715 -3.841 1.00 0.00 N ATOM 166 CA ASN A 17 4.968 -4.903 -4.002 1.00 0.00 C ATOM 167 C ASN A 17 5.220 -3.472 -3.549 1.00 0.00 C ATOM 168 O ASN A 17 4.343 -2.828 -2.972 1.00 0.00 O ATOM 169 CB ASN A 17 3.803 -5.505 -3.212 1.00 0.00 C ATOM 170 CG ASN A 17 3.824 -7.022 -3.202 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.429 -7.653 -2.222 1.00 0.00 O ATOM 172 ND2 ASN A 17 4.296 -7.616 -4.293 1.00 0.00 N ATOM 0 H ASN A 17 6.276 -6.131 -2.916 1.00 0.00 H new ATOM 0 HA ASN A 17 4.707 -4.892 -5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.837 -5.139 -2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.862 -5.162 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.341 -8.634 -4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.613 -7.054 -5.083 1.00 0.00 H new ATOM 179 N GLY A 18 6.423 -2.979 -3.815 1.00 0.00 N ATOM 180 CA GLY A 18 6.771 -1.629 -3.425 1.00 0.00 C ATOM 181 C GLY A 18 7.779 -0.990 -4.357 1.00 0.00 C ATOM 182 O GLY A 18 8.258 -1.624 -5.297 1.00 0.00 O ATOM 0 H GLY A 18 7.163 -3.491 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.868 -1.019 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.175 -1.641 -2.413 1.00 0.00 H new ATOM 186 N GLN A 19 8.096 0.273 -4.096 1.00 0.00 N ATOM 187 CA GLN A 19 9.058 1.010 -4.906 1.00 0.00 C ATOM 188 C GLN A 19 9.977 1.839 -4.017 1.00 0.00 C ATOM 189 O GLN A 19 9.520 2.514 -3.093 1.00 0.00 O ATOM 190 CB GLN A 19 8.340 1.928 -5.903 1.00 0.00 C ATOM 191 CG GLN A 19 6.968 1.430 -6.333 1.00 0.00 C ATOM 192 CD GLN A 19 6.680 1.700 -7.796 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.473 2.334 -8.492 1.00 0.00 O ATOM 194 NE2 GLN A 19 5.538 1.216 -8.272 1.00 0.00 N ATOM 0 H GLN A 19 7.698 0.810 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 19 9.654 0.286 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.232 2.917 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.966 2.045 -6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.900 0.358 -6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.204 1.910 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.910 0.696 -7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.289 1.364 -9.250 1.00 0.00 H new ATOM 203 N LEU A 20 11.272 1.788 -4.302 1.00 0.00 N ATOM 204 CA LEU A 20 12.255 2.524 -3.524 1.00 0.00 C ATOM 205 C LEU A 20 12.373 3.967 -3.996 1.00 0.00 C ATOM 206 O LEU A 20 12.080 4.284 -5.148 1.00 0.00 O ATOM 207 CB LEU A 20 13.615 1.848 -3.628 1.00 0.00 C ATOM 208 CG LEU A 20 13.906 0.820 -2.540 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.209 0.109 -2.835 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.768 -0.182 -2.431 1.00 0.00 C ATOM 0 H LEU A 20 11.665 1.242 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 20 11.920 2.527 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.688 1.358 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.389 2.615 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 20 13.995 1.339 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.409 -0.623 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.137 -0.398 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.021 0.836 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.995 -0.907 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.845 0.342 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.647 -0.700 -3.382 1.00 0.00 H new ATOM 222 N ASP A 21 12.835 4.828 -3.100 1.00 0.00 N ATOM 223 CA ASP A 21 13.052 6.231 -3.420 1.00 0.00 C ATOM 224 C ASP A 21 14.529 6.570 -3.265 1.00 0.00 C ATOM 225 O ASP A 21 14.936 7.187 -2.281 1.00 0.00 O ATOM 226 CB ASP A 21 12.204 7.125 -2.514 1.00 0.00 C ATOM 227 CG ASP A 21 11.364 8.113 -3.299 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.817 8.551 -4.378 1.00 0.00 O ATOM 229 OD2 ASP A 21 10.254 8.450 -2.835 1.00 0.00 O ATOM 0 H ASP A 21 13.068 4.576 -2.139 1.00 0.00 H new ATOM 0 HA ASP A 21 12.751 6.408 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.551 6.502 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.857 7.669 -1.831 1.00 0.00 H new ATOM 234 N ILE A 22 15.335 6.104 -4.215 1.00 0.00 N ATOM 235 CA ILE A 22 16.778 6.306 -4.162 1.00 0.00 C ATOM 236 C ILE A 22 17.159 7.760 -4.405 1.00 0.00 C ATOM 237 O ILE A 22 17.368 8.175 -5.545 1.00 0.00 O ATOM 238 CB ILE A 22 17.517 5.426 -5.190 1.00 0.00 C ATOM 239 CG1 ILE A 22 16.866 4.040 -5.279 1.00 0.00 C ATOM 240 CG2 ILE A 22 18.988 5.311 -4.818 1.00 0.00 C ATOM 241 CD1 ILE A 22 17.697 3.013 -6.022 1.00 0.00 C ATOM 0 H ILE A 22 15.012 5.584 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 22 17.082 6.019 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 22 17.445 5.896 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.674 3.675 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 22 15.899 4.136 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.501 4.687 -5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.439 6.303 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.079 4.860 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.167 2.061 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.868 3.353 -7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.655 2.886 -5.517 1.00 0.00 H new ATOM 253 N GLY A 23 17.288 8.520 -3.324 1.00 0.00 N ATOM 254 CA GLY A 23 17.717 9.900 -3.441 1.00 0.00 C ATOM 255 C GLY A 23 19.232 10.026 -3.428 1.00 0.00 C ATOM 256 O GLY A 23 19.768 11.129 -3.316 1.00 0.00 O ATOM 0 H GLY A 23 17.104 8.206 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.325 10.325 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.297 10.481 -2.620 1.00 0.00 H new ATOM 260 N GLY A 24 19.922 8.890 -3.542 1.00 0.00 N ATOM 261 CA GLY A 24 21.371 8.885 -3.528 1.00 0.00 C ATOM 262 C GLY A 24 21.922 7.589 -2.967 1.00 0.00 C ATOM 263 O GLY A 24 21.321 6.989 -2.078 1.00 0.00 O ATOM 0 H GLY A 24 19.495 7.969 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 24 21.745 9.031 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.732 9.723 -2.931 1.00 0.00 H new ATOM 267 N VAL A 25 23.056 7.147 -3.497 1.00 0.00 N ATOM 268 CA VAL A 25 23.674 5.906 -3.045 1.00 0.00 C ATOM 269 C VAL A 25 25.075 6.139 -2.474 1.00 0.00 C ATOM 270 O VAL A 25 25.777 5.185 -2.139 1.00 0.00 O ATOM 271 CB VAL A 25 23.770 4.884 -4.192 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.382 4.505 -4.687 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.617 5.436 -5.327 1.00 0.00 C ATOM 0 H VAL A 25 23.565 7.628 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 25 23.033 5.513 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 25 24.253 3.983 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.470 3.782 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.811 4.066 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.869 5.396 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.674 4.700 -6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.165 6.352 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.621 5.652 -4.960 1.00 0.00 H new ATOM 283 N ASP A 26 25.474 7.404 -2.350 1.00 0.00 N ATOM 284 CA ASP A 26 26.795 7.738 -1.829 1.00 0.00 C ATOM 285 C ASP A 26 26.901 7.419 -0.344 1.00 0.00 C ATOM 286 O ASP A 26 25.898 7.377 0.368 1.00 0.00 O ATOM 287 CB ASP A 26 27.101 9.219 -2.063 1.00 0.00 C ATOM 288 CG ASP A 26 25.927 10.117 -1.724 1.00 0.00 C ATOM 289 OD1 ASP A 26 26.038 10.901 -0.758 1.00 0.00 O ATOM 290 OD2 ASP A 26 24.896 10.035 -2.424 1.00 0.00 O ATOM 0 H ASP A 26 24.903 8.210 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 26 27.525 7.130 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.961 9.508 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.379 9.369 -3.106 1.00 0.00 H new ATOM 295 N PHE A 27 28.127 7.198 0.119 1.00 0.00 N ATOM 296 CA PHE A 27 28.372 6.886 1.521 1.00 0.00 C ATOM 297 C PHE A 27 27.672 7.884 2.430 1.00 0.00 C ATOM 298 O PHE A 27 28.135 9.010 2.613 1.00 0.00 O ATOM 299 CB PHE A 27 29.871 6.875 1.812 1.00 0.00 C ATOM 300 CG PHE A 27 30.316 5.670 2.586 1.00 0.00 C ATOM 301 CD1 PHE A 27 29.797 5.411 3.845 1.00 0.00 C ATOM 302 CD2 PHE A 27 31.247 4.794 2.054 1.00 0.00 C ATOM 303 CE1 PHE A 27 30.203 4.299 4.560 1.00 0.00 C ATOM 304 CE2 PHE A 27 31.657 3.683 2.763 1.00 0.00 C ATOM 305 CZ PHE A 27 31.136 3.435 4.017 1.00 0.00 C ATOM 0 H PHE A 27 28.967 7.229 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 27 27.966 5.894 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.417 6.915 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.132 7.774 2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 27 29.068 6.084 4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 27 31.657 4.982 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 27 29.792 4.106 5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 27 32.385 3.008 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.457 2.567 4.574 1.00 0.00 H new ATOM 315 N GLY A 28 26.552 7.458 2.994 1.00 0.00 N ATOM 316 CA GLY A 28 25.783 8.322 3.865 1.00 0.00 C ATOM 317 C GLY A 28 24.443 8.707 3.266 1.00 0.00 C ATOM 318 O GLY A 28 23.720 9.526 3.834 1.00 0.00 O ATOM 0 H GLY A 28 26.161 6.525 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.620 7.819 4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.357 9.225 4.074 1.00 0.00 H new ATOM 322 N SER A 29 24.106 8.124 2.115 1.00 0.00 N ATOM 323 CA SER A 29 22.835 8.415 1.465 1.00 0.00 C ATOM 324 C SER A 29 21.713 7.608 2.105 1.00 0.00 C ATOM 325 O SER A 29 21.942 6.861 3.056 1.00 0.00 O ATOM 326 CB SER A 29 22.917 8.108 -0.031 1.00 0.00 C ATOM 327 OG SER A 29 22.264 9.108 -0.795 1.00 0.00 O ATOM 0 H SER A 29 24.693 7.453 1.619 1.00 0.00 H new ATOM 0 HA SER A 29 22.619 9.476 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.962 8.039 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 29 22.462 7.138 -0.232 1.00 0.00 H new ATOM 0 HG SER A 29 22.928 9.738 -1.145 1.00 0.00 H new ATOM 333 N SER A 30 20.499 7.762 1.588 1.00 0.00 N ATOM 334 CA SER A 30 19.354 7.045 2.131 1.00 0.00 C ATOM 335 C SER A 30 18.290 6.803 1.068 1.00 0.00 C ATOM 336 O SER A 30 18.100 7.611 0.159 1.00 0.00 O ATOM 337 CB SER A 30 18.749 7.824 3.302 1.00 0.00 C ATOM 338 OG SER A 30 18.279 9.093 2.882 1.00 0.00 O ATOM 0 H SER A 30 20.284 8.372 0.800 1.00 0.00 H new ATOM 0 HA SER A 30 19.707 6.076 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.928 7.254 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.498 7.951 4.084 1.00 0.00 H new ATOM 0 HG SER A 30 17.896 9.570 3.648 1.00 0.00 H new ATOM 344 N ILE A 31 17.593 5.683 1.203 1.00 0.00 N ATOM 345 CA ILE A 31 16.531 5.309 0.277 1.00 0.00 C ATOM 346 C ILE A 31 15.202 5.213 1.017 1.00 0.00 C ATOM 347 O ILE A 31 15.169 4.893 2.206 1.00 0.00 O ATOM 348 CB ILE A 31 16.805 3.956 -0.428 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.265 3.511 -0.268 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.454 4.055 -1.900 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.540 2.140 -0.846 1.00 0.00 C ATOM 0 H ILE A 31 17.746 5.010 1.954 1.00 0.00 H new ATOM 0 HA ILE A 31 16.493 6.087 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 31 16.176 3.205 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.915 4.239 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.523 3.510 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.650 3.099 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.399 4.306 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.060 4.831 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.590 1.887 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.915 1.401 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.313 2.142 -1.912 1.00 0.00 H new ATOM 363 N THR A 32 14.108 5.488 0.318 1.00 0.00 N ATOM 364 CA THR A 32 12.787 5.431 0.932 1.00 0.00 C ATOM 365 C THR A 32 11.952 4.301 0.339 1.00 0.00 C ATOM 366 O THR A 32 11.666 4.291 -0.858 1.00 0.00 O ATOM 367 CB THR A 32 12.061 6.766 0.758 1.00 0.00 C ATOM 368 OG1 THR A 32 12.960 7.773 0.327 1.00 0.00 O ATOM 369 CG2 THR A 32 11.397 7.255 2.027 1.00 0.00 C ATOM 0 H THR A 32 14.108 5.751 -0.668 1.00 0.00 H new ATOM 0 HA THR A 32 12.921 5.234 1.996 1.00 0.00 H new ATOM 0 HB THR A 32 11.289 6.581 0.011 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.477 8.619 0.220 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.900 8.206 1.835 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.662 6.522 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.150 7.390 2.803 1.00 0.00 H new ATOM 377 N TYR A 33 11.556 3.353 1.187 1.00 0.00 N ATOM 378 CA TYR A 33 10.751 2.225 0.741 1.00 0.00 C ATOM 379 C TYR A 33 9.273 2.576 0.742 1.00 0.00 C ATOM 380 O TYR A 33 8.782 3.252 1.645 1.00 0.00 O ATOM 381 CB TYR A 33 11.013 0.994 1.611 1.00 0.00 C ATOM 382 CG TYR A 33 12.051 0.084 1.015 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.337 0.540 0.764 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.729 -1.210 0.655 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.288 -0.290 0.199 1.00 0.00 C ATOM 386 CE2 TYR A 33 12.666 -2.042 0.072 1.00 0.00 C ATOM 387 CZ TYR A 33 13.940 -1.575 -0.162 1.00 0.00 C ATOM 388 OH TYR A 33 14.887 -2.416 -0.698 1.00 0.00 O ATOM 0 H TYR A 33 11.780 3.346 2.182 1.00 0.00 H new ATOM 0 HA TYR A 33 11.042 1.990 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.339 1.314 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.083 0.442 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.599 1.558 1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.729 -1.578 0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.296 0.065 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.400 -3.053 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 33 14.556 -3.338 -0.675 1.00 0.00 H new ATOM 398 N SER A 34 8.579 2.138 -0.299 1.00 0.00 N ATOM 399 CA SER A 34 7.157 2.422 -0.438 1.00 0.00 C ATOM 400 C SER A 34 6.448 1.304 -1.188 1.00 0.00 C ATOM 401 O SER A 34 7.090 0.432 -1.770 1.00 0.00 O ATOM 402 CB SER A 34 6.950 3.750 -1.169 1.00 0.00 C ATOM 403 OG SER A 34 6.549 4.770 -0.272 1.00 0.00 O ATOM 0 H SER A 34 8.976 1.585 -1.059 1.00 0.00 H new ATOM 0 HA SER A 34 6.729 2.493 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.875 4.042 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.195 3.627 -1.946 1.00 0.00 H new ATOM 0 HG SER A 34 6.425 5.608 -0.764 1.00 0.00 H new ATOM 409 N CYS A 35 5.122 1.347 -1.180 1.00 0.00 N ATOM 410 CA CYS A 35 4.316 0.332 -1.839 1.00 0.00 C ATOM 411 C CYS A 35 4.012 0.711 -3.284 1.00 0.00 C ATOM 412 O CYS A 35 4.215 1.853 -3.695 1.00 0.00 O ATOM 413 CB CYS A 35 3.016 0.142 -1.066 1.00 0.00 C ATOM 414 SG CYS A 35 3.241 -0.620 0.567 1.00 0.00 S ATOM 0 H CYS A 35 4.581 2.080 -0.721 1.00 0.00 H new ATOM 0 HA CYS A 35 4.881 -0.600 -1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.533 1.111 -0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.340 -0.477 -1.656 1.00 0.00 H new ATOM 419 N ASN A 36 3.523 -0.260 -4.049 1.00 0.00 N ATOM 420 CA ASN A 36 3.188 -0.034 -5.449 1.00 0.00 C ATOM 421 C ASN A 36 2.027 0.946 -5.579 1.00 0.00 C ATOM 422 O ASN A 36 2.220 2.112 -5.925 1.00 0.00 O ATOM 423 CB ASN A 36 2.831 -1.358 -6.128 1.00 0.00 C ATOM 424 CG ASN A 36 3.856 -1.772 -7.165 1.00 0.00 C ATOM 425 OD1 ASN A 36 3.861 -1.266 -8.287 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.733 -2.698 -6.793 1.00 0.00 N ATOM 0 H ASN A 36 3.350 -1.211 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 36 4.060 0.397 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.747 -2.139 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.854 -1.267 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.447 -3.016 -7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.692 -3.091 -5.852 1.00 0.00 H new ATOM 433 N SER A 37 0.820 0.466 -5.297 1.00 0.00 N ATOM 434 CA SER A 37 -0.373 1.298 -5.377 1.00 0.00 C ATOM 435 C SER A 37 -1.521 0.673 -4.591 1.00 0.00 C ATOM 436 O SER A 37 -1.713 -0.542 -4.615 1.00 0.00 O ATOM 437 CB SER A 37 -0.787 1.494 -6.837 1.00 0.00 C ATOM 438 OG SER A 37 -0.530 2.820 -7.267 1.00 0.00 O ATOM 0 H SER A 37 0.643 -0.497 -5.011 1.00 0.00 H new ATOM 0 HA SER A 37 -0.140 2.269 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.244 0.792 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.848 1.271 -6.950 1.00 0.00 H new ATOM 0 HG SER A 37 0.371 3.086 -6.987 1.00 0.00 H new ATOM 444 N GLY A 38 -2.277 1.511 -3.890 1.00 0.00 N ATOM 445 CA GLY A 38 -3.386 1.017 -3.096 1.00 0.00 C ATOM 446 C GLY A 38 -2.958 -0.074 -2.134 1.00 0.00 C ATOM 447 O GLY A 38 -3.758 -0.928 -1.753 1.00 0.00 O ATOM 0 H GLY A 38 -2.142 2.521 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.826 1.842 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.162 0.632 -3.758 1.00 0.00 H new ATOM 451 N TYR A 39 -1.687 -0.045 -1.746 1.00 0.00 N ATOM 452 CA TYR A 39 -1.139 -1.040 -0.832 1.00 0.00 C ATOM 453 C TYR A 39 -0.751 -0.410 0.499 1.00 0.00 C ATOM 454 O TYR A 39 -0.890 0.798 0.695 1.00 0.00 O ATOM 455 CB TYR A 39 0.099 -1.697 -1.448 1.00 0.00 C ATOM 456 CG TYR A 39 -0.182 -2.994 -2.171 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.682 -4.074 -2.046 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.299 -3.138 -2.984 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.439 -5.263 -2.704 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.549 -4.325 -3.647 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.677 -5.384 -3.504 1.00 0.00 C ATOM 462 OH TYR A 39 -0.923 -6.567 -4.163 1.00 0.00 O ATOM 0 H TYR A 39 -1.016 0.659 -2.052 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.911 -1.789 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.558 -0.997 -2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.827 -1.884 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.559 -3.982 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.983 -2.310 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.120 -6.094 -2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.423 -4.423 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.750 -6.486 -4.683 1.00 0.00 H new ATOM 472 N HIS A 40 -0.237 -1.238 1.399 1.00 0.00 N ATOM 473 CA HIS A 40 0.251 -0.768 2.686 1.00 0.00 C ATOM 474 C HIS A 40 1.569 -1.460 3.005 1.00 0.00 C ATOM 475 O HIS A 40 1.735 -2.647 2.731 1.00 0.00 O ATOM 476 CB HIS A 40 -0.788 -0.995 3.793 1.00 0.00 C ATOM 477 CG HIS A 40 -0.841 -2.395 4.323 1.00 0.00 C ATOM 478 ND1 HIS A 40 -0.884 -2.684 5.671 1.00 0.00 N ATOM 479 CD2 HIS A 40 -0.875 -3.588 3.684 1.00 0.00 C ATOM 480 CE1 HIS A 40 -0.936 -3.993 5.838 1.00 0.00 C ATOM 481 NE2 HIS A 40 -0.930 -4.563 4.648 1.00 0.00 N ATOM 0 H HIS A 40 -0.148 -2.244 1.259 1.00 0.00 H new ATOM 0 HA HIS A 40 0.421 0.307 2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.574 -0.316 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.773 -0.729 3.409 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.877 -1.994 6.422 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.861 -3.743 2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.976 -4.509 6.786 1.00 0.00 H new ATOM 490 N LEU A 41 2.541 -0.683 3.460 1.00 0.00 N ATOM 491 CA LEU A 41 3.877 -1.198 3.714 1.00 0.00 C ATOM 492 C LEU A 41 4.008 -1.737 5.131 1.00 0.00 C ATOM 493 O LEU A 41 3.562 -1.107 6.090 1.00 0.00 O ATOM 494 CB LEU A 41 4.902 -0.089 3.475 1.00 0.00 C ATOM 495 CG LEU A 41 6.363 -0.515 3.600 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.164 -0.042 2.397 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.958 0.030 4.884 1.00 0.00 C ATOM 0 H LEU A 41 2.428 0.311 3.661 1.00 0.00 H new ATOM 0 HA LEU A 41 4.062 -2.026 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.744 0.321 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.713 0.717 4.184 1.00 0.00 H new ATOM 0 HG LEU A 41 6.406 -1.604 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.202 -0.355 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.747 -0.476 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.118 1.045 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.000 -0.280 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.903 1.119 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.399 -0.356 5.737 1.00 0.00 H new ATOM 509 N ILE A 42 4.623 -2.910 5.259 1.00 0.00 N ATOM 510 CA ILE A 42 4.804 -3.531 6.567 1.00 0.00 C ATOM 511 C ILE A 42 6.261 -3.527 6.982 1.00 0.00 C ATOM 512 O ILE A 42 7.126 -4.065 6.292 1.00 0.00 O ATOM 513 CB ILE A 42 4.279 -4.980 6.641 1.00 0.00 C ATOM 514 CG1 ILE A 42 3.393 -5.307 5.447 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.492 -5.171 7.923 1.00 0.00 C ATOM 516 CD1 ILE A 42 2.241 -4.345 5.327 1.00 0.00 C ATOM 0 H ILE A 42 5.002 -3.446 4.478 1.00 0.00 H new ATOM 0 HA ILE A 42 4.212 -2.923 7.251 1.00 0.00 H new ATOM 0 HB ILE A 42 5.136 -5.654 6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.988 -5.278 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.010 -6.323 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.122 -6.195 7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.138 -4.976 8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.650 -4.480 7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.632 -4.612 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.631 -4.393 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.624 -3.332 5.202 1.00 0.00 H new ATOM 528 N GLY A 43 6.499 -2.943 8.137 1.00 0.00 N ATOM 529 CA GLY A 43 7.843 -2.864 8.682 1.00 0.00 C ATOM 530 C GLY A 43 8.435 -1.469 8.577 1.00 0.00 C ATOM 531 O GLY A 43 7.721 -0.473 8.691 1.00 0.00 O ATOM 0 H GLY A 43 5.780 -2.514 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.825 -3.169 9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.487 -3.568 8.155 1.00 0.00 H new ATOM 535 N GLU A 44 9.746 -1.402 8.368 1.00 0.00 N ATOM 536 CA GLU A 44 10.443 -0.121 8.234 1.00 0.00 C ATOM 537 C GLU A 44 9.909 0.648 7.015 1.00 0.00 C ATOM 538 O GLU A 44 8.705 0.653 6.776 1.00 0.00 O ATOM 539 CB GLU A 44 11.957 -0.352 8.127 1.00 0.00 C ATOM 540 CG GLU A 44 12.464 -1.564 8.886 1.00 0.00 C ATOM 541 CD GLU A 44 11.840 -1.699 10.261 1.00 0.00 C ATOM 542 OE1 GLU A 44 11.989 -0.764 11.075 1.00 0.00 O ATOM 543 OE2 GLU A 44 11.204 -2.741 10.524 1.00 0.00 O ATOM 0 H GLU A 44 10.351 -2.219 8.287 1.00 0.00 H new ATOM 0 HA GLU A 44 10.256 0.483 9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.222 -0.461 7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.474 0.534 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.254 -2.463 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.547 -1.496 8.989 1.00 0.00 H new ATOM 550 N SER A 45 10.802 1.269 6.229 1.00 0.00 N ATOM 551 CA SER A 45 10.426 2.011 5.046 1.00 0.00 C ATOM 552 C SER A 45 11.592 2.847 4.539 1.00 0.00 C ATOM 553 O SER A 45 11.408 3.989 4.116 1.00 0.00 O ATOM 554 CB SER A 45 9.272 2.928 5.366 1.00 0.00 C ATOM 555 OG SER A 45 9.488 3.621 6.583 1.00 0.00 O ATOM 0 H SER A 45 11.806 1.262 6.409 1.00 0.00 H new ATOM 0 HA SER A 45 10.137 1.298 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.138 3.645 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.352 2.348 5.434 1.00 0.00 H new ATOM 0 HG SER A 45 8.725 4.209 6.765 1.00 0.00 H new ATOM 561 N LYS A 46 12.790 2.285 4.596 1.00 0.00 N ATOM 562 CA LYS A 46 13.979 3.007 4.179 1.00 0.00 C ATOM 563 C LYS A 46 15.198 2.101 4.059 1.00 0.00 C ATOM 564 O LYS A 46 15.186 0.946 4.484 1.00 0.00 O ATOM 565 CB LYS A 46 14.272 4.120 5.180 1.00 0.00 C ATOM 566 CG LYS A 46 13.811 5.483 4.709 1.00 0.00 C ATOM 567 CD LYS A 46 13.149 6.270 5.828 1.00 0.00 C ATOM 568 CE LYS A 46 13.783 7.642 5.995 1.00 0.00 C ATOM 569 NZ LYS A 46 13.733 8.436 4.736 1.00 0.00 N ATOM 0 H LYS A 46 12.963 1.335 4.926 1.00 0.00 H new ATOM 0 HA LYS A 46 13.781 3.421 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.785 3.886 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.344 4.153 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.664 6.043 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.110 5.365 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.086 6.383 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.230 5.714 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.268 8.185 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.820 7.526 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.129 9.382 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.289 7.955 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.746 8.526 4.421 1.00 0.00 H new ATOM 583 N SER A 47 16.255 2.665 3.488 1.00 0.00 N ATOM 584 CA SER A 47 17.525 1.974 3.309 1.00 0.00 C ATOM 585 C SER A 47 18.644 2.987 3.381 1.00 0.00 C ATOM 586 O SER A 47 18.492 4.091 2.872 1.00 0.00 O ATOM 587 CB SER A 47 17.554 1.264 1.951 1.00 0.00 C ATOM 588 OG SER A 47 16.764 0.089 1.958 1.00 0.00 O ATOM 0 H SER A 47 16.255 3.622 3.134 1.00 0.00 H new ATOM 0 HA SER A 47 17.648 1.227 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.192 1.942 1.178 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.583 1.010 1.695 1.00 0.00 H new ATOM 0 HG SER A 47 16.691 -0.251 2.874 1.00 0.00 H new ATOM 594 N TYR A 48 19.762 2.663 4.027 1.00 0.00 N ATOM 595 CA TYR A 48 20.805 3.689 4.145 1.00 0.00 C ATOM 596 C TYR A 48 22.191 3.196 3.789 1.00 0.00 C ATOM 597 O TYR A 48 22.681 2.200 4.304 1.00 0.00 O ATOM 598 CB TYR A 48 20.801 4.324 5.530 1.00 0.00 C ATOM 599 CG TYR A 48 19.417 4.500 6.099 1.00 0.00 C ATOM 600 CD1 TYR A 48 18.902 5.763 6.319 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.628 3.403 6.401 1.00 0.00 C ATOM 602 CE1 TYR A 48 17.629 5.931 6.838 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.357 3.552 6.909 1.00 0.00 C ATOM 604 CZ TYR A 48 16.860 4.821 7.132 1.00 0.00 C ATOM 605 OH TYR A 48 15.593 4.980 7.646 1.00 0.00 O ATOM 0 H TYR A 48 19.967 1.759 4.454 1.00 0.00 H new ATOM 0 HA TYR A 48 20.552 4.448 3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.389 3.705 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 48 21.292 5.296 5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.500 6.631 6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.018 2.410 6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.240 6.923 7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.754 2.684 7.131 1.00 0.00 H new ATOM 0 HH TYR A 48 15.188 4.100 7.795 1.00 0.00 H new ATOM 615 N CYS A 49 22.830 3.960 2.925 1.00 0.00 N ATOM 616 CA CYS A 49 24.181 3.656 2.477 1.00 0.00 C ATOM 617 C CYS A 49 25.196 3.985 3.562 1.00 0.00 C ATOM 618 O CYS A 49 25.616 5.133 3.709 1.00 0.00 O ATOM 619 CB CYS A 49 24.503 4.437 1.203 1.00 0.00 C ATOM 620 SG CYS A 49 26.235 4.299 0.661 1.00 0.00 S ATOM 0 H CYS A 49 22.433 4.805 2.514 1.00 0.00 H new ATOM 0 HA CYS A 49 24.239 2.589 2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.854 4.086 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.268 5.489 1.366 1.00 0.00 H new ATOM 625 N GLU A 50 25.581 2.969 4.323 1.00 0.00 N ATOM 626 CA GLU A 50 26.548 3.148 5.399 1.00 0.00 C ATOM 627 C GLU A 50 27.655 2.103 5.307 1.00 0.00 C ATOM 628 O GLU A 50 27.614 1.200 4.472 1.00 0.00 O ATOM 629 CB GLU A 50 25.826 3.120 6.766 1.00 0.00 C ATOM 630 CG GLU A 50 26.576 2.467 7.924 1.00 0.00 C ATOM 631 CD GLU A 50 25.671 2.146 9.097 1.00 0.00 C ATOM 632 OE1 GLU A 50 25.658 0.976 9.535 1.00 0.00 O ATOM 633 OE2 GLU A 50 24.974 3.064 9.577 1.00 0.00 O ATOM 0 H GLU A 50 25.239 2.014 4.216 1.00 0.00 H new ATOM 0 HA GLU A 50 27.025 4.123 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.592 4.146 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.877 2.600 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.050 1.550 7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.374 3.131 8.256 1.00 0.00 H new ATOM 640 N LEU A 51 28.654 2.267 6.155 1.00 0.00 N ATOM 641 CA LEU A 51 29.804 1.375 6.179 1.00 0.00 C ATOM 642 C LEU A 51 29.473 0.058 6.871 1.00 0.00 C ATOM 643 O LEU A 51 28.550 -0.017 7.682 1.00 0.00 O ATOM 644 CB LEU A 51 30.978 2.053 6.886 1.00 0.00 C ATOM 645 CG LEU A 51 30.793 2.267 8.387 1.00 0.00 C ATOM 646 CD1 LEU A 51 30.371 3.700 8.672 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.075 1.928 9.128 1.00 0.00 C ATOM 0 H LEU A 51 28.693 3.018 6.844 1.00 0.00 H new ATOM 0 HA LEU A 51 30.078 1.155 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.874 1.452 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.156 3.020 6.416 1.00 0.00 H new ATOM 0 HG LEU A 51 30.004 1.603 8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 30.244 3.835 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 51 31.138 4.384 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 51 29.429 3.909 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.930 2.085 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.335 0.885 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.881 2.570 8.773 1.00 0.00 H new ATOM 659 N GLY A 52 30.244 -0.976 6.551 1.00 0.00 N ATOM 660 CA GLY A 52 30.025 -2.280 7.150 1.00 0.00 C ATOM 661 C GLY A 52 30.775 -2.456 8.455 1.00 0.00 C ATOM 662 O GLY A 52 30.999 -1.492 9.186 1.00 0.00 O ATOM 0 H GLY A 52 31.017 -0.934 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.959 -2.420 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 52 30.336 -3.054 6.449 1.00 0.00 H new ATOM 666 N SER A 53 31.159 -3.694 8.750 1.00 0.00 N ATOM 667 CA SER A 53 31.881 -4.000 9.979 1.00 0.00 C ATOM 668 C SER A 53 33.377 -3.760 9.809 1.00 0.00 C ATOM 669 O SER A 53 33.999 -3.060 10.608 1.00 0.00 O ATOM 670 CB SER A 53 31.635 -5.453 10.387 1.00 0.00 C ATOM 671 OG SER A 53 30.366 -5.604 10.999 1.00 0.00 O ATOM 0 H SER A 53 30.982 -4.502 8.154 1.00 0.00 H new ATOM 0 HA SER A 53 31.511 -3.337 10.761 1.00 0.00 H new ATOM 0 HB2 SER A 53 31.697 -6.096 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.415 -5.777 11.076 1.00 0.00 H new ATOM 0 HG SER A 53 30.233 -6.542 11.249 1.00 0.00 H new ATOM 677 N THR A 54 33.950 -4.354 8.768 1.00 0.00 N ATOM 678 CA THR A 54 35.375 -4.207 8.493 1.00 0.00 C ATOM 679 C THR A 54 35.698 -2.804 7.986 1.00 0.00 C ATOM 680 O THR A 54 36.848 -2.369 8.032 1.00 0.00 O ATOM 681 CB THR A 54 35.824 -5.246 7.464 1.00 0.00 C ATOM 682 OG1 THR A 54 35.262 -4.968 6.194 1.00 0.00 O ATOM 683 CG2 THR A 54 35.442 -6.662 7.836 1.00 0.00 C ATOM 0 H THR A 54 33.450 -4.942 8.101 1.00 0.00 H new ATOM 0 HA THR A 54 35.915 -4.366 9.427 1.00 0.00 H new ATOM 0 HB THR A 54 36.911 -5.176 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 54 35.562 -5.642 5.549 1.00 0.00 H new ATOM 0 HG21 THR A 54 35.791 -7.348 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 54 35.902 -6.925 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 54 34.358 -6.735 7.924 1.00 0.00 H new ATOM 691 N GLY A 55 34.680 -2.102 7.497 1.00 0.00 N ATOM 692 CA GLY A 55 34.884 -0.761 6.982 1.00 0.00 C ATOM 693 C GLY A 55 34.483 -0.627 5.523 1.00 0.00 C ATOM 694 O GLY A 55 34.808 0.368 4.876 1.00 0.00 O ATOM 0 H GLY A 55 33.718 -2.438 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.307 -0.055 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.934 -0.489 7.093 1.00 0.00 H new ATOM 698 N SER A 56 33.774 -1.627 5.005 1.00 0.00 N ATOM 699 CA SER A 56 33.331 -1.615 3.624 1.00 0.00 C ATOM 700 C SER A 56 32.065 -0.782 3.470 1.00 0.00 C ATOM 701 O SER A 56 31.695 -0.031 4.369 1.00 0.00 O ATOM 702 CB SER A 56 33.074 -3.048 3.161 1.00 0.00 C ATOM 703 OG SER A 56 33.162 -3.958 4.244 1.00 0.00 O ATOM 0 H SER A 56 33.496 -2.457 5.528 1.00 0.00 H new ATOM 0 HA SER A 56 34.111 -1.166 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.086 -3.115 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 56 33.798 -3.321 2.393 1.00 0.00 H new ATOM 0 HG SER A 56 34.098 -4.049 4.519 1.00 0.00 H new ATOM 709 N MET A 57 31.403 -0.926 2.328 1.00 0.00 N ATOM 710 CA MET A 57 30.173 -0.196 2.053 1.00 0.00 C ATOM 711 C MET A 57 28.984 -1.145 2.077 1.00 0.00 C ATOM 712 O MET A 57 29.012 -2.208 1.456 1.00 0.00 O ATOM 713 CB MET A 57 30.248 0.512 0.694 1.00 0.00 C ATOM 714 CG MET A 57 31.666 0.733 0.190 1.00 0.00 C ATOM 715 SD MET A 57 32.289 -0.663 -0.766 1.00 0.00 S ATOM 716 CE MET A 57 34.055 -0.446 -0.565 1.00 0.00 C ATOM 0 H MET A 57 31.700 -1.545 1.574 1.00 0.00 H new ATOM 0 HA MET A 57 30.046 0.559 2.829 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.699 -0.076 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.746 1.476 0.770 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.692 1.631 -0.427 1.00 0.00 H new ATOM 0 HG3 MET A 57 32.326 0.910 1.039 1.00 0.00 H new ATOM 0 HE1 MET A 57 34.582 -1.236 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 57 34.350 0.524 -0.965 1.00 0.00 H new ATOM 0 HE3 MET A 57 34.309 -0.494 0.494 1.00 0.00 H new ATOM 726 N VAL A 58 27.951 -0.764 2.810 1.00 0.00 N ATOM 727 CA VAL A 58 26.763 -1.593 2.945 1.00 0.00 C ATOM 728 C VAL A 58 25.506 -0.737 2.981 1.00 0.00 C ATOM 729 O VAL A 58 25.572 0.484 2.832 1.00 0.00 O ATOM 730 CB VAL A 58 26.829 -2.449 4.221 1.00 0.00 C ATOM 731 CG1 VAL A 58 27.667 -3.697 3.989 1.00 0.00 C ATOM 732 CG2 VAL A 58 27.390 -1.630 5.368 1.00 0.00 C ATOM 0 H VAL A 58 27.911 0.117 3.323 1.00 0.00 H new ATOM 0 HA VAL A 58 26.725 -2.251 2.077 1.00 0.00 H new ATOM 0 HB VAL A 58 25.819 -2.766 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 58 27.701 -4.288 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 58 27.223 -4.290 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 58 28.679 -3.408 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 58 27.433 -2.245 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 58 28.393 -1.288 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 58 26.747 -0.768 5.548 1.00 0.00 H new ATOM 742 N TRP A 59 24.361 -1.376 3.189 1.00 0.00 N ATOM 743 CA TRP A 59 23.097 -0.658 3.236 1.00 0.00 C ATOM 744 C TRP A 59 22.298 -1.004 4.488 1.00 0.00 C ATOM 745 O TRP A 59 21.973 -2.166 4.731 1.00 0.00 O ATOM 746 CB TRP A 59 22.255 -0.980 1.997 1.00 0.00 C ATOM 747 CG TRP A 59 22.660 -0.216 0.773 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.502 -0.644 -0.213 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.221 1.095 0.386 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.624 0.321 -1.183 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.849 1.398 -0.838 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.367 2.047 0.956 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.649 2.608 -1.498 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.169 3.245 0.297 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.807 3.516 -0.915 1.00 0.00 C ATOM 0 H TRP A 59 24.283 -2.384 3.327 1.00 0.00 H new ATOM 0 HA TRP A 59 23.331 0.406 3.259 1.00 0.00 H new ATOM 0 HB2 TRP A 59 22.327 -2.047 1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.208 -0.768 2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 59 24.000 -1.602 -0.228 1.00 0.00 H new ATOM 0 HE1 TRP A 59 24.198 0.248 -2.023 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.872 1.848 1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.140 2.822 -2.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.509 3.984 0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.632 4.463 -1.403 1.00 0.00 H new ATOM 766 N ASN A 60 21.919 0.026 5.232 1.00 0.00 N ATOM 767 CA ASN A 60 21.059 -0.137 6.390 1.00 0.00 C ATOM 768 C ASN A 60 19.694 -0.562 5.877 1.00 0.00 C ATOM 769 O ASN A 60 19.570 -0.723 4.666 1.00 0.00 O ATOM 770 CB ASN A 60 21.022 1.164 7.187 1.00 0.00 C ATOM 771 CG ASN A 60 21.747 1.045 8.513 1.00 0.00 C ATOM 772 OD1 ASN A 60 21.467 0.149 9.310 1.00 0.00 O ATOM 773 ND2 ASN A 60 22.692 1.947 8.753 1.00 0.00 N ATOM 0 H ASN A 60 22.198 0.990 5.050 1.00 0.00 H new ATOM 0 HA ASN A 60 21.428 -0.901 7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.474 1.962 6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.985 1.449 7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.219 1.914 9.626 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.891 2.673 8.064 1.00 0.00 H new ATOM 780 N PRO A 61 18.741 -0.948 6.770 1.00 0.00 N ATOM 781 CA PRO A 61 17.421 -1.457 6.429 1.00 0.00 C ATOM 782 C PRO A 61 17.154 -1.644 4.942 1.00 0.00 C ATOM 783 O PRO A 61 17.273 -0.733 4.143 1.00 0.00 O ATOM 784 CB PRO A 61 16.570 -0.422 7.107 1.00 0.00 C ATOM 785 CG PRO A 61 17.307 -0.185 8.407 1.00 0.00 C ATOM 786 CD PRO A 61 18.730 -0.707 8.207 1.00 0.00 C ATOM 0 HA PRO A 61 17.237 -2.481 6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.491 0.489 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.555 -0.780 7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 61 17.316 0.875 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.816 -0.704 9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.482 0.022 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.920 -1.616 8.779 1.00 0.00 H new ATOM 794 N GLU A 62 16.892 -2.888 4.584 1.00 0.00 N ATOM 795 CA GLU A 62 16.736 -3.279 3.192 1.00 0.00 C ATOM 796 C GLU A 62 15.329 -3.050 2.693 1.00 0.00 C ATOM 797 O GLU A 62 15.072 -2.045 2.058 1.00 0.00 O ATOM 798 CB GLU A 62 17.121 -4.745 3.013 1.00 0.00 C ATOM 799 CG GLU A 62 18.570 -5.041 3.359 1.00 0.00 C ATOM 800 CD GLU A 62 19.547 -4.289 2.477 1.00 0.00 C ATOM 801 OE1 GLU A 62 20.153 -4.923 1.588 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.709 -3.068 2.679 1.00 0.00 O ATOM 0 H GLU A 62 16.781 -3.655 5.247 1.00 0.00 H new ATOM 0 HA GLU A 62 17.401 -2.651 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.474 -5.361 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.936 -5.037 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.751 -4.779 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.751 -6.112 3.264 1.00 0.00 H new ATOM 809 N ALA A 63 14.421 -3.945 3.063 1.00 0.00 N ATOM 810 CA ALA A 63 13.042 -3.891 2.635 1.00 0.00 C ATOM 811 C ALA A 63 12.389 -2.669 3.206 1.00 0.00 C ATOM 812 O ALA A 63 12.954 -1.594 2.994 1.00 0.00 O ATOM 813 CB ALA A 63 12.383 -5.209 2.961 1.00 0.00 C ATOM 0 H ALA A 63 14.631 -4.734 3.675 1.00 0.00 H new ATOM 0 HA ALA A 63 12.943 -3.776 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.341 -5.183 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.901 -6.014 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.430 -5.383 4.036 1.00 0.00 H new ATOM 819 N PRO A 64 11.142 -2.642 3.704 1.00 0.00 N ATOM 820 CA PRO A 64 10.236 -3.745 4.108 1.00 0.00 C ATOM 821 C PRO A 64 9.350 -4.291 2.989 1.00 0.00 C ATOM 822 O PRO A 64 9.662 -4.166 1.804 1.00 0.00 O ATOM 823 CB PRO A 64 9.335 -3.089 5.164 1.00 0.00 C ATOM 824 CG PRO A 64 9.867 -1.716 5.349 1.00 0.00 C ATOM 825 CD PRO A 64 10.623 -1.394 4.114 1.00 0.00 C ATOM 0 HA PRO A 64 10.821 -4.602 4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.297 -3.065 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.358 -3.647 6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.058 -1.003 5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.513 -1.664 6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.977 -0.959 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.418 -0.674 4.307 1.00 0.00 H new ATOM 833 N ILE A 65 8.257 -4.936 3.397 1.00 0.00 N ATOM 834 CA ILE A 65 7.325 -5.556 2.462 1.00 0.00 C ATOM 835 C ILE A 65 6.136 -4.649 2.181 1.00 0.00 C ATOM 836 O ILE A 65 6.072 -3.524 2.674 1.00 0.00 O ATOM 837 CB ILE A 65 6.809 -6.905 3.002 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.433 -6.781 4.481 1.00 0.00 C ATOM 839 CG2 ILE A 65 7.855 -7.990 2.806 1.00 0.00 C ATOM 840 CD1 ILE A 65 5.455 -7.837 4.947 1.00 0.00 C ATOM 0 H ILE A 65 7.996 -5.042 4.377 1.00 0.00 H new ATOM 0 HA ILE A 65 7.873 -5.724 1.535 1.00 0.00 H new ATOM 0 HB ILE A 65 5.916 -7.183 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.339 -6.845 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.002 -5.795 4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.475 -8.936 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.076 -8.095 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.765 -7.719 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.234 -7.687 6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.534 -7.760 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.891 -8.826 4.804 1.00 0.00 H new ATOM 852 N CYS A 66 5.188 -5.151 1.395 1.00 0.00 N ATOM 853 CA CYS A 66 4.014 -4.373 1.038 1.00 0.00 C ATOM 854 C CYS A 66 2.853 -5.264 0.619 1.00 0.00 C ATOM 855 O CYS A 66 2.923 -5.961 -0.393 1.00 0.00 O ATOM 856 CB CYS A 66 4.359 -3.415 -0.094 1.00 0.00 C ATOM 857 SG CYS A 66 4.902 -1.773 0.477 1.00 0.00 S ATOM 0 H CYS A 66 5.213 -6.090 0.996 1.00 0.00 H new ATOM 0 HA CYS A 66 3.704 -3.812 1.920 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.147 -3.856 -0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.486 -3.296 -0.736 1.00 0.00 H new ATOM 862 N GLU A 67 1.773 -5.210 1.387 1.00 0.00 N ATOM 863 CA GLU A 67 0.580 -5.987 1.078 1.00 0.00 C ATOM 864 C GLU A 67 -0.517 -5.086 0.517 1.00 0.00 C ATOM 865 O GLU A 67 -0.381 -3.863 0.498 1.00 0.00 O ATOM 866 CB GLU A 67 0.075 -6.708 2.329 1.00 0.00 C ATOM 867 CG GLU A 67 0.392 -8.194 2.343 1.00 0.00 C ATOM 868 CD GLU A 67 -0.215 -8.909 3.534 1.00 0.00 C ATOM 869 OE1 GLU A 67 -1.206 -9.645 3.342 1.00 0.00 O ATOM 870 OE2 GLU A 67 0.299 -8.731 4.658 1.00 0.00 O ATOM 0 H GLU A 67 1.698 -4.637 2.228 1.00 0.00 H new ATOM 0 HA GLU A 67 0.842 -6.729 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.517 -6.242 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.004 -6.574 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.023 -8.649 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.473 -8.331 2.354 1.00 0.00 H new ATOM 877 N SER A 68 -1.602 -5.699 0.059 1.00 0.00 N ATOM 878 CA SER A 68 -2.724 -4.953 -0.501 1.00 0.00 C ATOM 879 C SER A 68 -3.818 -4.743 0.542 1.00 0.00 C ATOM 880 O SER A 68 -4.468 -5.694 0.976 1.00 0.00 O ATOM 881 CB SER A 68 -3.296 -5.690 -1.715 1.00 0.00 C ATOM 882 OG SER A 68 -4.351 -6.558 -1.340 1.00 0.00 O ATOM 0 H SER A 68 -1.729 -6.711 0.064 1.00 0.00 H new ATOM 0 HA SER A 68 -2.357 -3.976 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.660 -4.966 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.506 -6.263 -2.201 1.00 0.00 H new ATOM 0 HG SER A 68 -4.264 -6.788 -0.391 1.00 0.00 H new ATOM 888 N VAL A 69 -4.019 -3.489 0.932 1.00 0.00 N ATOM 889 CA VAL A 69 -5.039 -3.142 1.915 1.00 0.00 C ATOM 890 C VAL A 69 -6.381 -3.772 1.558 1.00 0.00 C ATOM 891 O VAL A 69 -7.120 -3.257 0.719 1.00 0.00 O ATOM 892 CB VAL A 69 -5.217 -1.616 2.035 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.075 -0.950 0.677 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.224 -1.034 3.026 1.00 0.00 C ATOM 0 H VAL A 69 -3.487 -2.693 0.581 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.697 -3.533 2.873 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.222 -1.419 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.204 0.127 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.085 -1.158 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.834 -1.341 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.368 0.044 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.382 -1.484 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.209 -1.244 2.690 1.00 0.00 H new ATOM 904 N LYS A 70 -6.686 -4.889 2.205 1.00 0.00 N ATOM 905 CA LYS A 70 -7.931 -5.608 1.955 1.00 0.00 C ATOM 906 C LYS A 70 -9.108 -4.956 2.675 1.00 0.00 C ATOM 907 O LYS A 70 -9.090 -4.797 3.895 1.00 0.00 O ATOM 908 CB LYS A 70 -7.797 -7.062 2.409 1.00 0.00 C ATOM 909 CG LYS A 70 -7.245 -7.986 1.337 1.00 0.00 C ATOM 910 CD LYS A 70 -8.351 -8.797 0.683 1.00 0.00 C ATOM 911 CE LYS A 70 -8.202 -8.825 -0.829 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.447 -10.184 -1.387 1.00 0.00 N ATOM 0 H LYS A 70 -6.087 -5.319 2.910 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.124 -5.573 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.146 -7.103 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.775 -7.427 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.726 -7.398 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.510 -8.659 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.334 -9.816 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.320 -8.372 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.901 -8.118 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.199 -8.496 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.336 -10.160 -2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.764 -10.855 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.413 -10.488 -1.150 1.00 0.00 H new ATOM 926 N CYS A 71 -10.141 -4.603 1.914 1.00 0.00 N ATOM 927 CA CYS A 71 -11.346 -4.009 2.484 1.00 0.00 C ATOM 928 C CYS A 71 -12.486 -5.018 2.454 1.00 0.00 C ATOM 929 O CYS A 71 -12.902 -5.465 1.385 1.00 0.00 O ATOM 930 CB CYS A 71 -11.770 -2.734 1.733 1.00 0.00 C ATOM 931 SG CYS A 71 -10.605 -2.144 0.455 1.00 0.00 S ATOM 0 H CYS A 71 -10.167 -4.718 0.901 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.119 -3.732 3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.736 -2.916 1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.916 -1.937 2.462 1.00 0.00 H new ATOM 936 N GLN A 72 -12.979 -5.383 3.629 1.00 0.00 N ATOM 937 CA GLN A 72 -14.058 -6.355 3.728 1.00 0.00 C ATOM 938 C GLN A 72 -15.369 -5.768 3.204 1.00 0.00 C ATOM 939 O GLN A 72 -15.364 -4.829 2.408 1.00 0.00 O ATOM 940 CB GLN A 72 -14.208 -6.830 5.180 1.00 0.00 C ATOM 941 CG GLN A 72 -15.001 -5.881 6.066 1.00 0.00 C ATOM 942 CD GLN A 72 -14.343 -5.649 7.412 1.00 0.00 C ATOM 943 OE1 GLN A 72 -14.853 -6.078 8.447 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.204 -4.967 7.405 1.00 0.00 N ATOM 0 H GLN A 72 -12.650 -5.022 4.524 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.810 -7.216 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.695 -7.805 5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.216 -6.968 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.119 -4.926 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -16.001 -6.285 6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.817 -4.630 6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.716 -4.780 8.281 1.00 0.00 H new ATOM 953 N SER A 73 -16.490 -6.328 3.653 1.00 0.00 N ATOM 954 CA SER A 73 -17.804 -5.864 3.227 1.00 0.00 C ATOM 955 C SER A 73 -17.906 -4.341 3.316 1.00 0.00 C ATOM 956 O SER A 73 -17.461 -3.740 4.293 1.00 0.00 O ATOM 957 CB SER A 73 -18.888 -6.511 4.093 1.00 0.00 C ATOM 958 OG SER A 73 -20.045 -5.696 4.162 1.00 0.00 O ATOM 0 H SER A 73 -16.512 -7.105 4.313 1.00 0.00 H new ATOM 0 HA SER A 73 -17.948 -6.154 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.151 -7.486 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.500 -6.682 5.097 1.00 0.00 H new ATOM 0 HG SER A 73 -20.840 -6.240 3.982 1.00 0.00 H new ATOM 964 N PRO A 74 -18.490 -3.692 2.291 1.00 0.00 N ATOM 965 CA PRO A 74 -18.650 -2.235 2.278 1.00 0.00 C ATOM 966 C PRO A 74 -19.457 -1.751 3.480 1.00 0.00 C ATOM 967 O PRO A 74 -20.133 -2.541 4.140 1.00 0.00 O ATOM 968 CB PRO A 74 -19.392 -1.953 0.962 1.00 0.00 C ATOM 969 CG PRO A 74 -19.187 -3.174 0.129 1.00 0.00 C ATOM 970 CD PRO A 74 -19.058 -4.322 1.088 1.00 0.00 C ATOM 0 HA PRO A 74 -17.695 -1.713 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.452 -1.770 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.994 -1.067 0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.026 -3.327 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.292 -3.079 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.023 -4.786 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.406 -5.103 0.696 1.00 0.00 H new ATOM 978 N PRO A 75 -19.369 -0.451 3.807 1.00 0.00 N ATOM 979 CA PRO A 75 -20.078 0.123 4.950 1.00 0.00 C ATOM 980 C PRO A 75 -21.491 -0.430 5.102 1.00 0.00 C ATOM 981 O PRO A 75 -22.088 -0.913 4.140 1.00 0.00 O ATOM 982 CB PRO A 75 -20.111 1.611 4.617 1.00 0.00 C ATOM 983 CG PRO A 75 -18.864 1.844 3.832 1.00 0.00 C ATOM 984 CD PRO A 75 -18.579 0.563 3.084 1.00 0.00 C ATOM 0 HA PRO A 75 -19.591 -0.109 5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.998 1.869 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -20.131 2.220 5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.992 2.676 3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.034 2.101 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.881 0.635 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.516 0.323 3.093 1.00 0.00 H new ATOM 992 N SER A 76 -22.016 -0.363 6.320 1.00 0.00 N ATOM 993 CA SER A 76 -23.358 -0.855 6.603 1.00 0.00 C ATOM 994 C SER A 76 -24.330 0.302 6.798 1.00 0.00 C ATOM 995 O SER A 76 -24.535 0.773 7.917 1.00 0.00 O ATOM 996 CB SER A 76 -23.346 -1.743 7.849 1.00 0.00 C ATOM 997 OG SER A 76 -24.547 -2.487 7.958 1.00 0.00 O ATOM 0 H SER A 76 -21.532 0.028 7.128 1.00 0.00 H new ATOM 0 HA SER A 76 -23.690 -1.445 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.496 -2.424 7.806 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.215 -1.126 8.738 1.00 0.00 H new ATOM 0 HG SER A 76 -24.513 -3.047 8.761 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.925 0.757 5.701 1.00 0.00 N ATOM 1004 CA ILE A 77 -25.873 1.863 5.752 1.00 0.00 C ATOM 1005 C ILE A 77 -27.166 1.446 6.439 1.00 0.00 C ATOM 1006 O ILE A 77 -27.354 0.277 6.776 1.00 0.00 O ATOM 1007 CB ILE A 77 -26.199 2.390 4.341 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.931 1.324 3.521 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.926 2.827 3.638 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.678 1.887 2.332 1.00 0.00 C ATOM 0 H ILE A 77 -24.768 0.378 4.767 1.00 0.00 H new ATOM 0 HA ILE A 77 -25.400 2.659 6.327 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.857 3.254 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.209 0.587 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.635 0.799 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.169 3.197 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -24.447 3.619 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.247 1.978 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.173 1.077 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.424 2.603 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.976 2.387 1.665 1.00 0.00 H new ATOM 1022 N SER A 78 -28.058 2.408 6.637 1.00 0.00 N ATOM 1023 CA SER A 78 -29.340 2.138 7.272 1.00 0.00 C ATOM 1024 C SER A 78 -30.439 1.991 6.228 1.00 0.00 C ATOM 1025 O SER A 78 -30.444 2.690 5.215 1.00 0.00 O ATOM 1026 CB SER A 78 -29.699 3.257 8.251 1.00 0.00 C ATOM 1027 OG SER A 78 -28.664 3.460 9.197 1.00 0.00 O ATOM 0 H SER A 78 -27.917 3.381 6.367 1.00 0.00 H new ATOM 0 HA SER A 78 -29.253 1.201 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 78 -29.880 4.181 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 78 -30.625 3.008 8.769 1.00 0.00 H new ATOM 0 HG SER A 78 -28.918 4.181 9.810 1.00 0.00 H new ATOM 1033 N ASN A 79 -31.364 1.073 6.477 1.00 0.00 N ATOM 1034 CA ASN A 79 -32.470 0.838 5.564 1.00 0.00 C ATOM 1035 C ASN A 79 -31.969 0.409 4.191 1.00 0.00 C ATOM 1036 O ASN A 79 -32.625 0.650 3.177 1.00 0.00 O ATOM 1037 CB ASN A 79 -33.319 2.101 5.433 1.00 0.00 C ATOM 1038 CG ASN A 79 -33.509 2.813 6.756 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -34.115 2.275 7.683 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -32.998 4.033 6.849 1.00 0.00 N ATOM 0 H ASN A 79 -31.368 0.479 7.306 1.00 0.00 H new ATOM 0 HA ASN A 79 -33.079 0.032 5.973 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -32.847 2.780 4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -34.294 1.838 5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -33.100 4.564 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -32.503 4.440 6.056 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.808 -0.233 4.164 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.247 -0.686 2.906 1.00 0.00 C ATOM 1049 C GLY A 80 -29.107 -1.668 3.088 1.00 0.00 C ATOM 1050 O GLY A 80 -28.894 -2.189 4.183 1.00 0.00 O ATOM 0 H GLY A 80 -30.246 -0.448 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -31.032 -1.154 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.891 0.176 2.342 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.380 -1.926 2.007 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.262 -2.857 2.038 1.00 0.00 C ATOM 1056 C ARG A 81 -26.376 -2.675 0.814 1.00 0.00 C ATOM 1057 O ARG A 81 -26.601 -1.781 -0.002 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.767 -4.300 2.104 1.00 0.00 C ATOM 1059 CG ARG A 81 -29.077 -4.531 1.367 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.749 -5.813 1.825 1.00 0.00 C ATOM 1061 NE ARG A 81 -31.027 -6.035 1.153 1.00 0.00 N ATOM 1062 CZ ARG A 81 -31.139 -6.566 -0.061 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -32.337 -6.736 -0.604 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -30.054 -6.926 -0.732 1.00 0.00 N ATOM 0 H ARG A 81 -28.547 -1.501 1.095 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.673 -2.647 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.006 -4.960 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.895 -4.582 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.746 -3.687 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.890 -4.579 0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.087 -6.657 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -29.909 -5.773 2.902 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.881 -5.768 1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -33.174 -6.459 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -32.422 -7.143 -1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -29.131 -6.796 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -30.142 -7.333 -1.663 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.371 -3.530 0.691 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.447 -3.464 -0.433 1.00 0.00 C ATOM 1080 C HIS A 82 -24.576 -4.698 -1.319 1.00 0.00 C ATOM 1081 O HIS A 82 -25.202 -5.686 -0.937 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.013 -3.335 0.075 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.678 -4.317 1.152 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.397 -5.643 0.900 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.599 -4.166 2.495 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.151 -6.263 2.040 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.270 -5.389 3.022 1.00 0.00 N ATOM 0 H HIS A 82 -25.174 -4.278 1.356 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.698 -2.587 -1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.325 -3.472 -0.759 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.858 -2.324 0.453 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.382 -6.077 -0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.764 -3.253 3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.896 -7.307 2.150 1.00 0.00 H new ATOM 1096 N ASN A 83 -23.983 -4.634 -2.507 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.031 -5.751 -3.442 1.00 0.00 C ATOM 1098 C ASN A 83 -22.745 -6.583 -3.356 1.00 0.00 C ATOM 1099 O ASN A 83 -22.616 -7.426 -2.470 1.00 0.00 O ATOM 1100 CB ASN A 83 -24.268 -5.245 -4.868 1.00 0.00 C ATOM 1101 CG ASN A 83 -25.707 -4.828 -5.105 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.603 -5.185 -4.339 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -25.936 -4.069 -6.171 1.00 0.00 N ATOM 0 H ASN A 83 -23.465 -3.822 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.866 -6.397 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.611 -4.398 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -23.998 -6.028 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.884 -3.758 -6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.163 -3.797 -6.779 1.00 0.00 H new ATOM 1110 N GLY A 84 -21.789 -6.333 -4.256 1.00 0.00 N ATOM 1111 CA GLY A 84 -20.534 -7.067 -4.228 1.00 0.00 C ATOM 1112 C GLY A 84 -20.725 -8.564 -4.366 1.00 0.00 C ATOM 1113 O GLY A 84 -20.603 -9.109 -5.462 1.00 0.00 O ATOM 0 H GLY A 84 -21.863 -5.638 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.893 -6.711 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.016 -6.856 -3.292 1.00 0.00 H new ATOM 1117 N TYR A 85 -21.027 -9.213 -3.234 1.00 0.00 N ATOM 1118 CA TYR A 85 -21.257 -10.639 -3.125 1.00 0.00 C ATOM 1119 C TYR A 85 -19.979 -11.381 -2.758 1.00 0.00 C ATOM 1120 O TYR A 85 -19.928 -12.609 -2.815 1.00 0.00 O ATOM 1121 CB TYR A 85 -21.839 -11.187 -4.401 1.00 0.00 C ATOM 1122 CG TYR A 85 -23.024 -10.404 -4.932 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -23.449 -10.560 -6.245 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -23.710 -9.504 -4.124 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -24.525 -9.844 -6.736 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -24.783 -8.785 -4.607 1.00 0.00 C ATOM 1127 CZ TYR A 85 -25.189 -8.959 -5.913 1.00 0.00 C ATOM 1128 OH TYR A 85 -26.260 -8.245 -6.398 1.00 0.00 O ATOM 0 H TYR A 85 -21.119 -8.730 -2.340 1.00 0.00 H new ATOM 0 HA TYR A 85 -21.977 -10.796 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -21.060 -11.206 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -22.146 -12.219 -4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -22.931 -11.252 -6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -23.397 -9.366 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -24.844 -9.977 -7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -25.303 -8.089 -3.965 1.00 0.00 H new ATOM 0 HH TYR A 85 -26.616 -7.668 -5.691 1.00 0.00 H new ATOM 1138 N GLU A 86 -18.965 -10.635 -2.334 1.00 0.00 N ATOM 1139 CA GLU A 86 -17.709 -11.226 -1.937 1.00 0.00 C ATOM 1140 C GLU A 86 -17.530 -11.154 -0.427 1.00 0.00 C ATOM 1141 O GLU A 86 -18.429 -10.724 0.295 1.00 0.00 O ATOM 1142 CB GLU A 86 -16.555 -10.507 -2.628 1.00 0.00 C ATOM 1143 CG GLU A 86 -16.153 -11.140 -3.945 1.00 0.00 C ATOM 1144 CD GLU A 86 -14.698 -11.565 -3.971 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -14.245 -12.193 -2.991 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -14.011 -11.269 -4.971 1.00 0.00 O ATOM 0 H GLU A 86 -18.996 -9.618 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.714 -12.274 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.837 -9.469 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.693 -10.495 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.784 -12.008 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.335 -10.432 -4.754 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.361 -11.566 0.041 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.052 -11.521 1.464 1.00 0.00 C ATOM 1155 C ASP A 87 -14.997 -10.461 1.750 1.00 0.00 C ATOM 1156 O ASP A 87 -14.914 -9.933 2.860 1.00 0.00 O ATOM 1157 CB ASP A 87 -15.566 -12.888 1.953 1.00 0.00 C ATOM 1158 CG ASP A 87 -16.706 -13.784 2.396 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.510 -14.566 3.351 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -17.794 -13.706 1.788 1.00 0.00 O ATOM 0 H ASP A 87 -15.611 -11.935 -0.543 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.964 -11.261 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.011 -13.380 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.874 -12.748 2.783 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.201 -10.142 0.736 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.152 -9.148 0.871 1.00 0.00 C ATOM 1167 C PHE A 88 -13.014 -8.328 -0.405 1.00 0.00 C ATOM 1168 O PHE A 88 -13.597 -8.662 -1.436 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.826 -9.833 1.194 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.562 -9.957 2.660 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.913 -8.945 3.340 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.962 -11.083 3.358 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.665 -9.049 4.690 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.717 -11.196 4.712 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.067 -10.176 5.381 1.00 0.00 C ATOM 0 H PHE A 88 -14.266 -10.562 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.419 -8.474 1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.821 -10.827 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.014 -9.271 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.596 -8.061 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.471 -11.881 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.156 -8.250 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.033 -12.079 5.247 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.874 -10.260 6.440 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.237 -7.254 -0.330 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.014 -6.392 -1.482 1.00 0.00 C ATOM 1187 C TYR A 89 -10.626 -5.761 -1.416 1.00 0.00 C ATOM 1188 O TYR A 89 -10.006 -5.720 -0.354 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.094 -5.308 -1.553 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.500 -5.861 -1.673 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.177 -6.346 -0.558 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.149 -5.901 -2.901 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.461 -6.849 -0.666 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.432 -6.406 -3.015 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.081 -6.877 -1.895 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.356 -7.380 -2.004 1.00 0.00 O ATOM 0 H TYR A 89 -11.751 -6.960 0.517 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.073 -6.999 -2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.032 -4.686 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.893 -4.661 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.692 -6.329 0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.644 -5.532 -3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.975 -7.218 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.922 -6.431 -3.977 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.964 -6.856 -1.441 1.00 0.00 H new ATOM 1206 N THR A 90 -10.130 -5.299 -2.559 1.00 0.00 N ATOM 1207 CA THR A 90 -8.799 -4.704 -2.622 1.00 0.00 C ATOM 1208 C THR A 90 -8.845 -3.280 -3.163 1.00 0.00 C ATOM 1209 O THR A 90 -9.916 -2.743 -3.444 1.00 0.00 O ATOM 1210 CB THR A 90 -7.880 -5.558 -3.497 1.00 0.00 C ATOM 1211 OG1 THR A 90 -8.545 -5.961 -4.680 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.381 -6.803 -2.801 1.00 0.00 C ATOM 0 H THR A 90 -10.626 -5.324 -3.450 1.00 0.00 H new ATOM 0 HA THR A 90 -8.406 -4.668 -1.606 1.00 0.00 H new ATOM 0 HB THR A 90 -7.024 -4.922 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.940 -6.505 -5.226 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.735 -7.363 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.818 -6.522 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.229 -7.424 -2.513 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.669 -2.678 -3.304 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.556 -1.319 -3.810 1.00 0.00 C ATOM 1222 C ASP A 91 -7.938 -1.255 -5.277 1.00 0.00 C ATOM 1223 O ASP A 91 -7.128 -1.535 -6.160 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.135 -0.791 -3.617 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.080 -1.792 -4.043 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -4.246 -1.445 -4.906 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.087 -2.923 -3.514 1.00 0.00 O ATOM 0 H ASP A 91 -6.777 -3.115 -3.073 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.245 -0.692 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.012 0.128 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.986 -0.535 -2.568 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.184 -0.892 -5.520 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.670 -0.768 -6.878 1.00 0.00 C ATOM 1234 C GLY A 92 -10.935 -1.566 -7.135 1.00 0.00 C ATOM 1235 O GLY A 92 -11.282 -1.830 -8.287 1.00 0.00 O ATOM 0 H GLY A 92 -9.873 -0.679 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.861 0.283 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.893 -1.099 -7.567 1.00 0.00 H new ATOM 1239 N SER A 93 -11.633 -1.947 -6.068 1.00 0.00 N ATOM 1240 CA SER A 93 -12.873 -2.701 -6.203 1.00 0.00 C ATOM 1241 C SER A 93 -14.076 -1.771 -6.117 1.00 0.00 C ATOM 1242 O SER A 93 -13.963 -0.641 -5.642 1.00 0.00 O ATOM 1243 CB SER A 93 -12.966 -3.778 -5.120 1.00 0.00 C ATOM 1244 OG SER A 93 -11.688 -4.076 -4.586 1.00 0.00 O ATOM 0 H SER A 93 -11.361 -1.746 -5.105 1.00 0.00 H new ATOM 0 HA SER A 93 -12.873 -3.185 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.627 -3.440 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.408 -4.682 -5.539 1.00 0.00 H new ATOM 0 HG SER A 93 -11.436 -3.387 -3.937 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.224 -2.246 -6.582 1.00 0.00 N ATOM 1251 CA VAL A 94 -16.439 -1.445 -6.557 1.00 0.00 C ATOM 1252 C VAL A 94 -17.641 -2.280 -6.131 1.00 0.00 C ATOM 1253 O VAL A 94 -17.672 -3.496 -6.323 1.00 0.00 O ATOM 1254 CB VAL A 94 -16.717 -0.801 -7.931 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -15.585 0.140 -8.306 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.047 -0.060 -7.930 1.00 0.00 C ATOM 0 H VAL A 94 -15.339 -3.178 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.283 -0.652 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.777 -1.596 -8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.792 0.589 -9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.500 0.925 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -14.650 -0.418 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.217 0.384 -8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.852 -0.758 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.025 0.726 -7.175 1.00 0.00 H new ATOM 1266 N VAL A 95 -18.631 -1.608 -5.557 1.00 0.00 N ATOM 1267 CA VAL A 95 -19.847 -2.269 -5.103 1.00 0.00 C ATOM 1268 C VAL A 95 -21.048 -1.344 -5.230 1.00 0.00 C ATOM 1269 O VAL A 95 -20.921 -0.125 -5.119 1.00 0.00 O ATOM 1270 CB VAL A 95 -19.726 -2.733 -3.641 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -20.915 -3.594 -3.249 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.424 -3.486 -3.429 1.00 0.00 C ATOM 0 H VAL A 95 -18.615 -0.601 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 95 -19.989 -3.142 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.721 -1.851 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.808 -3.911 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.834 -3.018 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.957 -4.472 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.354 -3.807 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.398 -4.359 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.584 -2.833 -3.664 1.00 0.00 H new ATOM 1282 N THR A 96 -22.214 -1.930 -5.466 1.00 0.00 N ATOM 1283 CA THR A 96 -23.439 -1.157 -5.603 1.00 0.00 C ATOM 1284 C THR A 96 -24.342 -1.354 -4.394 1.00 0.00 C ATOM 1285 O THR A 96 -24.631 -2.483 -3.998 1.00 0.00 O ATOM 1286 CB THR A 96 -24.180 -1.551 -6.883 1.00 0.00 C ATOM 1287 OG1 THR A 96 -23.600 -2.706 -7.463 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.182 -0.460 -7.931 1.00 0.00 C ATOM 0 H THR A 96 -22.336 -2.938 -5.566 1.00 0.00 H new ATOM 0 HA THR A 96 -23.169 -0.103 -5.663 1.00 0.00 H new ATOM 0 HB THR A 96 -25.209 -1.739 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 96 -24.127 -2.980 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 96 -24.723 -0.803 -8.813 1.00 0.00 H new ATOM 0 HG22 THR A 96 -24.669 0.429 -7.530 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.155 -0.218 -8.207 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.776 -0.247 -3.807 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.634 -0.294 -2.632 1.00 0.00 C ATOM 1298 C TYR A 97 -27.103 -0.343 -3.025 1.00 0.00 C ATOM 1299 O TYR A 97 -27.477 0.061 -4.126 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.371 0.917 -1.741 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.241 0.717 -0.760 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -24.434 0.920 0.600 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -22.976 0.340 -1.194 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -23.401 0.744 1.499 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -21.941 0.160 -0.301 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.155 0.365 1.043 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.118 0.187 1.932 1.00 0.00 O ATOM 0 H TYR A 97 -24.548 0.695 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.400 -1.204 -2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.145 1.778 -2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.281 1.155 -1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -25.407 1.220 0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -22.801 0.185 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -23.567 0.902 2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -20.966 -0.141 -0.655 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.389 -0.449 2.627 1.00 0.00 H new ATOM 1317 N SER A 98 -27.933 -0.841 -2.116 1.00 0.00 N ATOM 1318 CA SER A 98 -29.366 -0.949 -2.374 1.00 0.00 C ATOM 1319 C SER A 98 -30.169 -0.937 -1.077 1.00 0.00 C ATOM 1320 O SER A 98 -29.760 -1.524 -0.076 1.00 0.00 O ATOM 1321 CB SER A 98 -29.666 -2.229 -3.155 1.00 0.00 C ATOM 1322 OG SER A 98 -28.901 -2.293 -4.346 1.00 0.00 O ATOM 0 H SER A 98 -27.641 -1.175 -1.198 1.00 0.00 H new ATOM 0 HA SER A 98 -29.663 -0.083 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.449 -3.097 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.728 -2.269 -3.399 1.00 0.00 H new ATOM 0 HG SER A 98 -29.111 -3.122 -4.825 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.325 -0.279 -1.110 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.199 -0.203 0.055 1.00 0.00 C ATOM 1330 C CYS A 99 -32.898 -1.538 0.296 1.00 0.00 C ATOM 1331 O CYS A 99 -33.011 -2.362 -0.612 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.238 0.902 -0.131 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.523 2.555 -0.406 1.00 0.00 S ATOM 0 H CYS A 99 -31.678 0.210 -1.933 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.585 0.029 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.875 0.648 -0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.878 0.937 0.751 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.372 -1.744 1.520 1.00 0.00 N ATOM 1339 CA ASN A 100 -34.048 -2.983 1.880 1.00 0.00 C ATOM 1340 C ASN A 100 -35.559 -2.863 1.701 1.00 0.00 C ATOM 1341 O ASN A 100 -36.138 -3.472 0.802 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.723 -3.353 3.327 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.231 -3.398 3.589 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.484 -4.067 2.876 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.789 -2.680 4.614 1.00 0.00 N ATOM 0 H ASN A 100 -33.300 -1.067 2.280 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.690 -3.768 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.185 -2.629 3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -34.159 -4.325 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.794 -2.668 4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.445 -2.140 5.179 1.00 0.00 H new ATOM 1352 N SER A 101 -36.193 -2.084 2.572 1.00 0.00 N ATOM 1353 CA SER A 101 -37.639 -1.895 2.520 1.00 0.00 C ATOM 1354 C SER A 101 -38.067 -1.268 1.196 1.00 0.00 C ATOM 1355 O SER A 101 -39.214 -1.411 0.773 1.00 0.00 O ATOM 1356 CB SER A 101 -38.100 -1.016 3.684 1.00 0.00 C ATOM 1357 OG SER A 101 -39.502 -0.816 3.650 1.00 0.00 O ATOM 0 H SER A 101 -35.728 -1.573 3.323 1.00 0.00 H new ATOM 0 HA SER A 101 -38.108 -2.876 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.819 -1.482 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.591 -0.053 3.640 1.00 0.00 H new ATOM 0 HG SER A 101 -39.770 -0.252 4.405 1.00 0.00 H new ATOM 1363 N GLY A 102 -37.139 -0.571 0.548 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.444 0.069 -0.718 1.00 0.00 C ATOM 1365 C GLY A 102 -37.239 1.570 -0.672 1.00 0.00 C ATOM 1366 O GLY A 102 -37.951 2.323 -1.337 1.00 0.00 O ATOM 0 H GLY A 102 -36.183 -0.438 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.813 -0.357 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.477 -0.145 -0.991 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.262 2.006 0.116 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.960 3.420 0.254 1.00 0.00 C ATOM 1372 C TYR A 103 -35.347 3.973 -1.026 1.00 0.00 C ATOM 1373 O TYR A 103 -35.233 3.271 -2.030 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.992 3.634 1.420 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.677 3.821 2.755 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.985 2.730 3.558 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.012 5.089 3.215 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -36.608 2.897 4.781 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.634 5.264 4.437 1.00 0.00 C ATOM 1380 CZ TYR A 103 -36.931 4.165 5.215 1.00 0.00 C ATOM 1381 OH TYR A 103 -37.553 4.336 6.431 1.00 0.00 O ATOM 0 H TYR A 103 -35.664 1.393 0.671 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.892 3.950 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.320 2.778 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.376 4.509 1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.734 1.735 3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.783 5.952 2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.840 2.038 5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -36.886 6.256 4.781 1.00 0.00 H new ATOM 0 HH TYR A 103 -37.710 5.291 6.587 1.00 0.00 H new ATOM 1391 N SER A 104 -34.947 5.234 -0.973 1.00 0.00 N ATOM 1392 CA SER A 104 -34.312 5.888 -2.110 1.00 0.00 C ATOM 1393 C SER A 104 -32.837 6.130 -1.821 1.00 0.00 C ATOM 1394 O SER A 104 -32.480 7.072 -1.112 1.00 0.00 O ATOM 1395 CB SER A 104 -35.009 7.213 -2.423 1.00 0.00 C ATOM 1396 OG SER A 104 -36.321 7.239 -1.888 1.00 0.00 O ATOM 0 H SER A 104 -35.051 5.829 -0.151 1.00 0.00 H new ATOM 0 HA SER A 104 -34.400 5.234 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.429 8.039 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.050 7.360 -3.502 1.00 0.00 H new ATOM 0 HG SER A 104 -36.744 8.097 -2.100 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.983 5.267 -2.361 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.550 5.358 -2.127 1.00 0.00 C ATOM 1404 C LEU A 105 -30.044 6.784 -2.251 1.00 0.00 C ATOM 1405 O LEU A 105 -30.263 7.458 -3.258 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.782 4.453 -3.079 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.611 3.724 -2.425 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -28.993 2.292 -2.097 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.383 3.770 -3.317 1.00 0.00 C ATOM 0 H LEU A 105 -32.262 4.494 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.377 5.026 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.468 3.717 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.408 5.050 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.366 4.232 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.147 1.787 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.839 2.289 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.268 1.770 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.561 3.245 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.607 3.291 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.098 4.808 -3.491 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.365 7.227 -1.209 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.782 8.557 -1.177 1.00 0.00 C ATOM 1423 C ILE A 106 -27.385 8.522 -1.787 1.00 0.00 C ATOM 1424 O ILE A 106 -26.729 7.486 -1.784 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.716 9.097 0.268 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.127 9.316 0.813 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.916 10.391 0.335 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.928 10.326 0.022 1.00 0.00 C ATOM 0 H ILE A 106 -29.202 6.679 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.415 9.226 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.208 8.356 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.659 8.364 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -30.061 9.648 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.887 10.748 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.900 10.209 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.388 11.144 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.919 10.432 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.418 11.289 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -31.025 9.986 -1.009 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.940 9.651 -2.317 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.631 9.702 -2.937 1.00 0.00 C ATOM 1442 C GLY A 107 -25.537 8.791 -4.143 1.00 0.00 C ATOM 1443 O GLY A 107 -26.393 8.828 -5.027 1.00 0.00 O ATOM 0 H GLY A 107 -27.458 10.529 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.413 10.726 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.873 9.417 -2.207 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.503 7.961 -4.172 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.303 7.023 -5.271 1.00 0.00 C ATOM 1449 C ASN A 108 -24.235 5.589 -4.756 1.00 0.00 C ATOM 1450 O ASN A 108 -23.680 5.327 -3.690 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.023 7.363 -6.036 1.00 0.00 C ATOM 1452 CG ASN A 108 -22.876 8.851 -6.285 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -23.164 9.341 -7.377 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -22.428 9.580 -5.269 1.00 0.00 N ATOM 0 H ASN A 108 -23.788 7.917 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.154 7.109 -5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.161 7.005 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.022 6.836 -6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -22.311 10.587 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.201 9.132 -4.381 1.00 0.00 H new ATOM 1461 N SER A 109 -24.806 4.664 -5.521 1.00 0.00 N ATOM 1462 CA SER A 109 -24.810 3.255 -5.142 1.00 0.00 C ATOM 1463 C SER A 109 -23.411 2.660 -5.247 1.00 0.00 C ATOM 1464 O SER A 109 -23.057 1.742 -4.507 1.00 0.00 O ATOM 1465 CB SER A 109 -25.784 2.472 -6.024 1.00 0.00 C ATOM 1466 OG SER A 109 -25.392 1.116 -6.145 1.00 0.00 O ATOM 0 H SER A 109 -25.272 4.864 -6.406 1.00 0.00 H new ATOM 0 HA SER A 109 -25.136 3.182 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.787 2.527 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 109 -25.831 2.929 -7.012 1.00 0.00 H new ATOM 0 HG SER A 109 -26.103 0.608 -6.589 1.00 0.00 H new ATOM 1472 N GLY A 110 -22.618 3.196 -6.166 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.268 2.705 -6.360 1.00 0.00 C ATOM 1474 C GLY A 110 -20.330 3.102 -5.235 1.00 0.00 C ATOM 1475 O GLY A 110 -20.328 4.252 -4.796 1.00 0.00 O ATOM 0 H GLY A 110 -22.887 3.964 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.290 1.618 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.879 3.088 -7.303 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.526 2.148 -4.774 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.568 2.402 -3.702 1.00 0.00 C ATOM 1481 C VAL A 111 -17.190 1.868 -4.070 1.00 0.00 C ATOM 1482 O VAL A 111 -17.018 0.670 -4.285 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.010 1.772 -2.372 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.322 2.462 -1.205 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.522 1.833 -2.221 1.00 0.00 C ATOM 0 H VAL A 111 -19.519 1.191 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.523 3.484 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.715 0.723 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.645 2.005 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.242 2.357 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.585 3.520 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.811 1.381 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.848 2.873 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -20.992 1.289 -3.040 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.213 2.766 -4.147 1.00 0.00 N ATOM 1496 CA LEU A 112 -14.853 2.386 -4.511 1.00 0.00 C ATOM 1497 C LEU A 112 -14.088 1.838 -3.316 1.00 0.00 C ATOM 1498 O LEU A 112 -13.923 2.519 -2.304 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.099 3.586 -5.092 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.590 3.383 -5.276 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -11.905 4.712 -5.556 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.319 2.394 -6.400 1.00 0.00 C ATOM 0 H LEU A 112 -16.338 3.761 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.925 1.601 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.536 3.836 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.257 4.445 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.181 2.973 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.835 4.550 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.317 5.149 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.072 5.391 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.243 2.262 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.778 1.435 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.741 2.775 -7.330 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.592 0.616 -3.455 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.786 0.000 -2.415 1.00 0.00 C ATOM 1516 C CYS A 113 -11.321 0.341 -2.637 1.00 0.00 C ATOM 1517 O CYS A 113 -10.670 -0.218 -3.522 1.00 0.00 O ATOM 1518 CB CYS A 113 -12.978 -1.514 -2.417 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.818 -2.422 -1.343 1.00 0.00 S ATOM 0 H CYS A 113 -13.735 0.033 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.104 0.386 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -13.997 -1.739 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -12.871 -1.880 -3.438 1.00 0.00 H new ATOM 1524 N SER A 114 -10.823 1.291 -1.861 1.00 0.00 N ATOM 1525 CA SER A 114 -9.444 1.734 -1.990 1.00 0.00 C ATOM 1526 C SER A 114 -8.829 2.008 -0.627 1.00 0.00 C ATOM 1527 O SER A 114 -9.535 2.243 0.353 1.00 0.00 O ATOM 1528 CB SER A 114 -9.371 2.993 -2.856 1.00 0.00 C ATOM 1529 OG SER A 114 -10.601 3.696 -2.840 1.00 0.00 O ATOM 0 H SER A 114 -11.354 1.771 -1.134 1.00 0.00 H new ATOM 0 HA SER A 114 -8.877 0.936 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.573 3.641 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.119 2.719 -3.880 1.00 0.00 H new ATOM 0 HG SER A 114 -10.483 4.572 -3.264 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.505 1.971 -0.577 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.797 2.215 0.667 1.00 0.00 C ATOM 1537 C GLY A 115 -7.378 1.442 1.831 1.00 0.00 C ATOM 1538 O GLY A 115 -7.384 1.922 2.965 1.00 0.00 O ATOM 0 H GLY A 115 -6.905 1.776 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.749 1.943 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.826 3.281 0.894 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.877 0.244 1.549 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.474 -0.570 2.586 1.00 0.00 C ATOM 1544 C GLY A 116 -9.745 0.042 3.146 1.00 0.00 C ATOM 1545 O GLY A 116 -10.271 -0.423 4.156 1.00 0.00 O ATOM 0 H GLY A 116 -7.878 -0.177 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.697 -1.558 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.755 -0.709 3.393 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.241 1.089 2.488 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.461 1.752 2.921 1.00 0.00 C ATOM 1551 C GLU A 117 -12.428 1.907 1.756 1.00 0.00 C ATOM 1552 O GLU A 117 -12.064 1.692 0.599 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.143 3.124 3.516 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.482 3.056 4.882 1.00 0.00 C ATOM 1555 CD GLU A 117 -11.443 3.375 6.011 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -12.615 2.951 5.929 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -11.024 4.049 6.975 1.00 0.00 O ATOM 0 H GLU A 117 -9.814 1.493 1.654 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.929 1.134 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.489 3.665 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.066 3.699 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.069 2.059 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.646 3.755 4.912 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.658 2.288 2.068 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.681 2.470 1.051 1.00 0.00 C ATOM 1566 C TRP A 118 -15.021 3.945 0.879 1.00 0.00 C ATOM 1567 O TRP A 118 -15.204 4.669 1.858 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.937 1.690 1.431 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.773 0.207 1.319 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.421 -0.655 2.317 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.959 -0.590 0.145 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.376 -1.940 1.835 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.702 -1.926 0.505 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.317 -0.305 -1.175 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.792 -2.973 -0.408 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.407 -1.345 -2.081 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.153 -2.667 -1.691 1.00 0.00 C ATOM 0 H TRP A 118 -13.972 2.477 3.020 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.293 2.094 0.104 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.216 1.941 2.455 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.760 2.006 0.790 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.209 -0.368 3.336 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.139 -2.770 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.520 0.710 -1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.584 -3.991 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.677 -1.136 -3.105 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.244 -3.460 -2.418 1.00 0.00 H new ATOM 1588 N SER A 119 -15.106 4.384 -0.371 1.00 0.00 N ATOM 1589 CA SER A 119 -15.427 5.774 -0.670 1.00 0.00 C ATOM 1590 C SER A 119 -16.735 5.876 -1.447 1.00 0.00 C ATOM 1591 O SER A 119 -17.130 4.939 -2.142 1.00 0.00 O ATOM 1592 CB SER A 119 -14.294 6.420 -1.470 1.00 0.00 C ATOM 1593 OG SER A 119 -13.213 5.520 -1.643 1.00 0.00 O ATOM 0 H SER A 119 -14.957 3.798 -1.193 1.00 0.00 H new ATOM 0 HA SER A 119 -15.545 6.305 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.667 6.736 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.946 7.316 -0.955 1.00 0.00 H new ATOM 0 HG SER A 119 -12.503 5.957 -2.159 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.405 7.017 -1.315 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.664 7.260 -2.011 1.00 0.00 C ATOM 1601 C ASP A 120 -19.804 6.344 -1.539 1.00 0.00 C ATOM 1602 O ASP A 120 -20.645 5.945 -2.344 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.450 7.057 -3.498 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.661 7.448 -4.323 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -19.627 7.257 -5.556 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -20.644 7.945 -3.734 1.00 0.00 O ATOM 0 H ASP A 120 -17.095 7.792 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.963 8.284 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.591 7.645 -3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.210 6.011 -3.687 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.885 6.025 -0.234 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.951 5.172 0.294 1.00 0.00 C ATOM 1613 C PRO A 121 -22.276 5.928 0.400 1.00 0.00 C ATOM 1614 O PRO A 121 -22.309 7.072 0.853 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.436 4.776 1.676 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.552 5.903 2.083 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.946 6.444 0.814 1.00 0.00 C ATOM 0 HA PRO A 121 -21.159 4.316 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.256 4.641 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.888 3.835 1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.120 6.675 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.777 5.561 2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.846 7.529 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.949 6.038 0.643 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.386 5.309 -0.038 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.695 5.946 -0.042 1.00 0.00 C ATOM 1627 C PRO A 122 -25.505 5.693 1.215 1.00 0.00 C ATOM 1628 O PRO A 122 -25.025 5.110 2.186 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.380 5.285 -1.229 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.786 3.918 -1.313 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.444 3.960 -0.624 1.00 0.00 C ATOM 0 HA PRO A 122 -24.606 7.031 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.459 5.237 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.206 5.847 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.439 3.187 -0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.673 3.613 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.364 3.188 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.629 3.795 -1.328 1.00 0.00 H new ATOM 1639 N THR A 123 -26.754 6.129 1.161 1.00 0.00 N ATOM 1640 CA THR A 123 -27.695 5.939 2.256 1.00 0.00 C ATOM 1641 C THR A 123 -29.018 5.424 1.712 1.00 0.00 C ATOM 1642 O THR A 123 -29.067 4.868 0.616 1.00 0.00 O ATOM 1643 CB THR A 123 -27.910 7.251 3.015 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.913 8.198 2.671 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.887 7.085 4.518 1.00 0.00 C ATOM 0 H THR A 123 -27.144 6.624 0.359 1.00 0.00 H new ATOM 0 HA THR A 123 -27.283 5.206 2.950 1.00 0.00 H new ATOM 0 HB THR A 123 -28.901 7.596 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 123 -27.068 9.030 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 123 -28.045 8.053 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.678 6.398 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.921 6.684 4.825 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.089 5.609 2.471 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.402 5.169 2.030 1.00 0.00 C ATOM 1655 C CYS A 124 -32.500 5.998 2.676 1.00 0.00 C ATOM 1656 O CYS A 124 -32.999 5.666 3.751 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.604 3.686 2.342 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.922 2.564 1.080 1.00 0.00 S ATOM 0 H CYS A 124 -30.074 6.057 3.387 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.459 5.310 0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -31.140 3.461 3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.671 3.490 2.449 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.873 7.077 2.003 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.910 7.965 2.494 1.00 0.00 C ATOM 1665 C GLN A 125 -35.040 8.087 1.482 1.00 0.00 C ATOM 1666 O GLN A 125 -34.852 7.843 0.290 1.00 0.00 O ATOM 1667 CB GLN A 125 -33.322 9.343 2.787 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.644 9.436 4.143 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.402 10.305 4.117 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -31.367 11.339 3.449 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -30.373 9.888 4.846 1.00 0.00 N ATOM 0 H GLN A 125 -32.468 7.358 1.110 1.00 0.00 H new ATOM 0 HA GLN A 125 -34.315 7.544 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.599 9.594 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -34.117 10.087 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -33.349 9.838 4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -32.375 8.435 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -30.446 9.025 5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -29.510 10.431 4.867 1.00 0.00 H new ATOM 1680 N ILE A 126 -36.212 8.462 1.968 1.00 0.00 N ATOM 1681 CA ILE A 126 -37.383 8.617 1.114 1.00 0.00 C ATOM 1682 C ILE A 126 -37.368 9.970 0.408 1.00 0.00 C ATOM 1683 O ILE A 126 -38.234 10.814 0.642 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.684 8.473 1.927 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -38.733 7.100 2.599 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.902 8.679 1.038 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.014 5.964 1.640 1.00 0.00 C ATOM 0 H ILE A 126 -36.380 8.666 2.953 1.00 0.00 H new ATOM 0 HA ILE A 126 -37.347 7.826 0.365 1.00 0.00 H new ATOM 0 HB ILE A 126 -38.698 9.242 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.782 6.915 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -39.502 7.110 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.809 8.573 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.869 9.677 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.901 7.935 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.034 5.022 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.979 6.124 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.232 5.926 0.882 1.00 0.00 H new TER 1699 ILE A 126