USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=33 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= -4.8! C(o=-4.7!,f=-4.2!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0605 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 SER OG : rot -160:sc= -1.39 USER MOD Set 2.2: A 82 HIS : no HD1:sc= -3.2! K(o=-4.6!,f=-3.8) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 GLN : amide:sc= 0.931 K(o=0.61,f=-1.7) USER MOD Set 4.2: A 36 ASN : amide:sc= -0.323 K(o=0.61,f=-1.7!) USER MOD Single : A 11 SER OG : rot -27:sc= 0.873 USER MOD Single : A 17 ASN : amide:sc= -0.76 K(o=-0.76,f=0.066) USER MOD Single : A 29 SER OG : rot 65:sc= 0.177 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 33 TYR OH : rot 89:sc= 0.948 USER MOD Single : A 34 SER OG : rot 180:sc=-0.00501 USER MOD Single : A 37 SER OG : rot 22:sc= 0.442 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -7.32! C(o=-7.3!,f=-6.6!) USER MOD Single : A 45 SER OG : rot -44:sc= 0.291 USER MOD Single : A 47 SER OG : rot -91:sc= -1.7! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -62:sc= 0.161 USER MOD Single : A 54 THR OG1 : rot -65:sc= 1.08 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -145:sc= 0 (180deg=-0.688) USER MOD Single : A 60 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 68 SER OG : rot -12:sc= 0.949 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0683 X(o=-0.068,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= -0.206 X(o=-0.21,f=-0.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -15:sc= -1.47 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 73:sc= 1.84 USER MOD Single : A 97 TYR OH : rot -115:sc= -2.94 USER MOD Single : A 100 ASN : amide:sc= -4.95 K(o=-5,f=-9.1!) 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 -53:sc= 0.552 USER MOD Single : A 108 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.0023) USER MOD Single : A 109 SER OG : rot 179:sc= -6.38! USER MOD Single : A 114 SER OG : rot 170:sc= -0.0593 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.884 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 33.935 3.277 -3.703 1.00 0.00 N ATOM 2 CA ARG A 7 33.182 2.048 -3.927 1.00 0.00 C ATOM 3 C ARG A 7 31.752 2.159 -3.407 1.00 0.00 C ATOM 4 O ARG A 7 31.523 2.261 -2.202 1.00 0.00 O ATOM 5 CB ARG A 7 33.887 0.873 -3.255 1.00 0.00 C ATOM 6 CG ARG A 7 35.094 0.374 -4.029 1.00 0.00 C ATOM 7 CD ARG A 7 35.851 -0.681 -3.249 1.00 0.00 C ATOM 8 NE ARG A 7 37.156 -0.200 -2.805 1.00 0.00 N ATOM 9 CZ ARG A 7 38.243 -0.198 -3.571 1.00 0.00 C ATOM 10 NH1 ARG A 7 38.184 -0.656 -4.814 1.00 0.00 N ATOM 11 NH2 ARG A 7 39.392 0.261 -3.092 1.00 0.00 N ATOM 0 HA ARG A 7 33.135 1.881 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 7 34.203 1.172 -2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 7 33.178 0.054 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 7 34.770 -0.039 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 7 35.757 1.210 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 7 35.262 -0.984 -2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 7 35.983 -1.567 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 7 37.239 0.155 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 7 37.303 -1.011 -5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 7 39.020 -0.653 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 7 39.442 0.613 -2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 7 40.225 0.262 -3.680 1.00 0.00 H new ATOM 25 N ARG A 8 30.790 2.110 -4.324 1.00 0.00 N ATOM 26 CA ARG A 8 29.382 2.175 -3.960 1.00 0.00 C ATOM 27 C ARG A 8 28.810 0.771 -3.792 1.00 0.00 C ATOM 28 O ARG A 8 29.470 -0.219 -4.107 1.00 0.00 O ATOM 29 CB ARG A 8 28.598 2.944 -5.022 1.00 0.00 C ATOM 30 CG ARG A 8 28.676 2.327 -6.407 1.00 0.00 C ATOM 31 CD ARG A 8 27.294 2.005 -6.948 1.00 0.00 C ATOM 32 NE ARG A 8 27.322 0.885 -7.882 1.00 0.00 N ATOM 33 CZ ARG A 8 27.644 1.003 -9.166 1.00 0.00 C ATOM 34 NH1 ARG A 8 27.648 -0.066 -9.951 1.00 0.00 N ATOM 35 NH2 ARG A 8 27.960 2.189 -9.668 1.00 0.00 N ATOM 0 H ARG A 8 30.962 2.025 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 8 29.292 2.701 -3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.553 3.001 -4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.973 3.966 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.183 3.014 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.275 1.417 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.626 1.770 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.886 2.884 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 8 27.081 -0.041 -7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 8 27.404 -0.980 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 8 27.895 0.026 -10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 8 27.956 3.014 -9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 8 28.207 2.276 -10.654 1.00 0.00 H new ATOM 49 N CYS A 9 27.586 0.689 -3.283 1.00 0.00 N ATOM 50 CA CYS A 9 26.941 -0.598 -3.058 1.00 0.00 C ATOM 51 C CYS A 9 26.386 -1.173 -4.360 1.00 0.00 C ATOM 52 O CYS A 9 26.125 -0.437 -5.312 1.00 0.00 O ATOM 53 CB CYS A 9 25.820 -0.449 -2.031 1.00 0.00 C ATOM 54 SG CYS A 9 26.395 0.003 -0.362 1.00 0.00 S ATOM 0 H CYS A 9 27.022 1.497 -3.019 1.00 0.00 H new ATOM 0 HA CYS A 9 27.691 -1.290 -2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.120 0.310 -2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.269 -1.388 -1.972 1.00 0.00 H new ATOM 59 N PRO A 10 26.201 -2.504 -4.418 1.00 0.00 N ATOM 60 CA PRO A 10 25.683 -3.183 -5.610 1.00 0.00 C ATOM 61 C PRO A 10 24.202 -2.913 -5.838 1.00 0.00 C ATOM 62 O PRO A 10 23.552 -2.244 -5.034 1.00 0.00 O ATOM 63 CB PRO A 10 25.910 -4.661 -5.301 1.00 0.00 C ATOM 64 CG PRO A 10 25.880 -4.736 -3.817 1.00 0.00 C ATOM 65 CD PRO A 10 26.492 -3.454 -3.329 1.00 0.00 C ATOM 0 HA PRO A 10 26.177 -2.839 -6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.134 -5.284 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.864 -5.008 -5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.859 -4.845 -3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.441 -5.599 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.052 -3.132 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.564 -3.558 -3.162 1.00 0.00 H new ATOM 73 N SER A 11 23.669 -3.452 -6.931 1.00 0.00 N ATOM 74 CA SER A 11 22.263 -3.277 -7.265 1.00 0.00 C ATOM 75 C SER A 11 21.373 -3.583 -6.058 1.00 0.00 C ATOM 76 O SER A 11 21.191 -4.744 -5.690 1.00 0.00 O ATOM 77 CB SER A 11 21.892 -4.181 -8.444 1.00 0.00 C ATOM 78 OG SER A 11 21.339 -5.410 -8.005 1.00 0.00 O ATOM 0 H SER A 11 24.193 -4.015 -7.601 1.00 0.00 H new ATOM 0 HA SER A 11 22.101 -2.237 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 11 21.176 -3.668 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.779 -4.375 -9.048 1.00 0.00 H new ATOM 0 HG SER A 11 21.678 -5.620 -7.110 1.00 0.00 H new ATOM 84 N PRO A 12 20.826 -2.542 -5.407 1.00 0.00 N ATOM 85 CA PRO A 12 19.965 -2.714 -4.239 1.00 0.00 C ATOM 86 C PRO A 12 18.971 -3.854 -4.416 1.00 0.00 C ATOM 87 O PRO A 12 18.461 -4.079 -5.513 1.00 0.00 O ATOM 88 CB PRO A 12 19.229 -1.383 -4.144 1.00 0.00 C ATOM 89 CG PRO A 12 20.147 -0.383 -4.761 1.00 0.00 C ATOM 90 CD PRO A 12 20.992 -1.122 -5.767 1.00 0.00 C ATOM 0 HA PRO A 12 20.537 -2.968 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.276 -1.421 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.009 -1.128 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.581 0.414 -5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.773 0.086 -4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.658 -0.928 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.037 -0.816 -5.710 1.00 0.00 H new ATOM 98 N ARG A 13 18.699 -4.569 -3.332 1.00 0.00 N ATOM 99 CA ARG A 13 17.741 -5.666 -3.370 1.00 0.00 C ATOM 100 C ARG A 13 16.384 -5.156 -3.813 1.00 0.00 C ATOM 101 O ARG A 13 16.058 -3.987 -3.621 1.00 0.00 O ATOM 102 CB ARG A 13 17.636 -6.339 -2.001 1.00 0.00 C ATOM 103 CG ARG A 13 18.429 -7.632 -1.900 1.00 0.00 C ATOM 104 CD ARG A 13 17.795 -8.595 -0.912 1.00 0.00 C ATOM 105 NE ARG A 13 18.668 -9.727 -0.611 1.00 0.00 N ATOM 106 CZ ARG A 13 18.421 -10.612 0.349 1.00 0.00 C ATOM 107 NH1 ARG A 13 19.263 -11.614 0.562 1.00 0.00 N ATOM 108 NH2 ARG A 13 17.332 -10.496 1.097 1.00 0.00 N ATOM 0 H ARG A 13 19.126 -4.410 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 13 18.091 -6.407 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.987 -5.646 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.588 -6.547 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.488 -8.102 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.450 -7.411 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.559 -8.064 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.853 -8.962 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 13 19.514 -9.845 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.102 -11.706 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.072 -12.293 1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.682 -9.726 0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.144 -11.176 1.833 1.00 0.00 H new ATOM 122 N ASP A 14 15.606 -6.031 -4.424 1.00 0.00 N ATOM 123 CA ASP A 14 14.335 -5.646 -4.977 1.00 0.00 C ATOM 124 C ASP A 14 13.161 -6.142 -4.143 1.00 0.00 C ATOM 125 O ASP A 14 13.336 -6.820 -3.131 1.00 0.00 O ATOM 126 CB ASP A 14 14.251 -6.194 -6.395 1.00 0.00 C ATOM 127 CG ASP A 14 14.010 -7.692 -6.440 1.00 0.00 C ATOM 128 OD1 ASP A 14 12.892 -8.126 -6.092 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.941 -8.431 -6.826 1.00 0.00 O ATOM 0 H ASP A 14 15.840 -7.016 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 14 14.269 -4.558 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.447 -5.686 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.177 -5.965 -6.922 1.00 0.00 H new ATOM 134 N ILE A 15 11.965 -5.793 -4.594 1.00 0.00 N ATOM 135 CA ILE A 15 10.735 -6.202 -3.931 1.00 0.00 C ATOM 136 C ILE A 15 9.690 -6.600 -4.968 1.00 0.00 C ATOM 137 O ILE A 15 9.677 -6.075 -6.081 1.00 0.00 O ATOM 138 CB ILE A 15 10.177 -5.080 -3.035 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.870 -5.520 -2.374 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.964 -3.814 -3.845 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.607 -4.844 -1.045 1.00 0.00 C ATOM 0 H ILE A 15 11.820 -5.221 -5.426 1.00 0.00 H new ATOM 0 HA ILE A 15 10.967 -7.058 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 15 10.904 -4.871 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.041 -5.309 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.893 -6.600 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.569 -3.030 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.914 -3.490 -4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.255 -4.012 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.664 -5.204 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.416 -5.076 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.551 -3.765 -1.190 1.00 0.00 H new ATOM 153 N ASP A 16 8.841 -7.557 -4.614 1.00 0.00 N ATOM 154 CA ASP A 16 7.831 -8.059 -5.538 1.00 0.00 C ATOM 155 C ASP A 16 6.595 -7.166 -5.565 1.00 0.00 C ATOM 156 O ASP A 16 6.180 -6.697 -6.625 1.00 0.00 O ATOM 157 CB ASP A 16 7.429 -9.485 -5.155 1.00 0.00 C ATOM 158 CG ASP A 16 6.885 -10.268 -6.334 1.00 0.00 C ATOM 159 OD1 ASP A 16 7.259 -11.450 -6.485 1.00 0.00 O ATOM 160 OD2 ASP A 16 6.085 -9.699 -7.106 1.00 0.00 O ATOM 0 H ASP A 16 8.831 -8.000 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 16 8.269 -8.057 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.294 -10.006 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.676 -9.448 -4.368 1.00 0.00 H new ATOM 165 N ASN A 17 5.996 -6.955 -4.399 1.00 0.00 N ATOM 166 CA ASN A 17 4.784 -6.149 -4.299 1.00 0.00 C ATOM 167 C ASN A 17 5.112 -4.701 -3.957 1.00 0.00 C ATOM 168 O ASN A 17 4.296 -3.994 -3.365 1.00 0.00 O ATOM 169 CB ASN A 17 3.837 -6.729 -3.240 1.00 0.00 C ATOM 170 CG ASN A 17 3.926 -8.240 -3.135 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.107 -8.963 -3.704 1.00 0.00 O ATOM 172 ND2 ASN A 17 4.931 -8.723 -2.414 1.00 0.00 N ATOM 0 H ASN A 17 6.329 -7.330 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 17 4.291 -6.172 -5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.070 -6.288 -2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.812 -6.446 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.048 -9.731 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.586 -8.086 -1.960 1.00 0.00 H new ATOM 179 N GLY A 18 6.305 -4.259 -4.338 1.00 0.00 N ATOM 180 CA GLY A 18 6.711 -2.897 -4.045 1.00 0.00 C ATOM 181 C GLY A 18 7.654 -2.315 -5.083 1.00 0.00 C ATOM 182 O GLY A 18 7.991 -2.972 -6.068 1.00 0.00 O ATOM 0 H GLY A 18 6.995 -4.816 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.824 -2.267 -3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.196 -2.872 -3.069 1.00 0.00 H new ATOM 186 N GLN A 19 8.081 -1.077 -4.850 1.00 0.00 N ATOM 187 CA GLN A 19 9.008 -0.392 -5.745 1.00 0.00 C ATOM 188 C GLN A 19 10.042 0.384 -4.938 1.00 0.00 C ATOM 189 O GLN A 19 9.696 1.106 -4.003 1.00 0.00 O ATOM 190 CB GLN A 19 8.255 0.563 -6.676 1.00 0.00 C ATOM 191 CG GLN A 19 6.857 0.091 -7.039 1.00 0.00 C ATOM 192 CD GLN A 19 6.455 0.496 -8.443 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.943 1.492 -8.977 1.00 0.00 O ATOM 194 NE2 GLN A 19 5.560 -0.276 -9.050 1.00 0.00 N ATOM 0 H GLN A 19 7.797 -0.524 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 19 9.516 -1.143 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.186 1.541 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.833 0.695 -7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.808 -0.994 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.142 0.502 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.181 -1.092 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.252 -0.052 -9.996 1.00 0.00 H new ATOM 203 N LEU A 20 11.310 0.229 -5.296 1.00 0.00 N ATOM 204 CA LEU A 20 12.387 0.897 -4.578 1.00 0.00 C ATOM 205 C LEU A 20 12.486 2.371 -4.946 1.00 0.00 C ATOM 206 O LEU A 20 12.011 2.799 -5.998 1.00 0.00 O ATOM 207 CB LEU A 20 13.723 0.221 -4.871 1.00 0.00 C ATOM 208 CG LEU A 20 13.682 -1.302 -4.988 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.089 -1.858 -4.899 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.799 -1.910 -3.907 1.00 0.00 C ATOM 0 H LEU A 20 11.617 -0.351 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 20 12.156 0.821 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.119 0.628 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.425 0.488 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 20 13.253 -1.566 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.057 -2.944 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.694 -1.449 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.530 -1.581 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.788 -2.995 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.192 -1.646 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.784 -1.525 -4.007 1.00 0.00 H new ATOM 222 N ASP A 21 13.146 3.133 -4.080 1.00 0.00 N ATOM 223 CA ASP A 21 13.376 4.552 -4.312 1.00 0.00 C ATOM 224 C ASP A 21 14.850 4.872 -4.090 1.00 0.00 C ATOM 225 O ASP A 21 15.228 5.410 -3.049 1.00 0.00 O ATOM 226 CB ASP A 21 12.506 5.395 -3.376 1.00 0.00 C ATOM 227 CG ASP A 21 12.325 6.814 -3.877 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.847 6.985 -5.018 1.00 0.00 O ATOM 229 OD2 ASP A 21 12.661 7.755 -3.127 1.00 0.00 O ATOM 0 H ASP A 21 13.534 2.786 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 21 13.106 4.792 -5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.529 4.923 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.959 5.418 -2.385 1.00 0.00 H new ATOM 234 N ILE A 22 15.685 4.467 -5.045 1.00 0.00 N ATOM 235 CA ILE A 22 17.128 4.651 -4.933 1.00 0.00 C ATOM 236 C ILE A 22 17.535 6.108 -5.124 1.00 0.00 C ATOM 237 O ILE A 22 17.641 6.592 -6.251 1.00 0.00 O ATOM 238 CB ILE A 22 17.892 3.782 -5.954 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.526 2.306 -5.780 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.395 3.976 -5.801 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.100 1.410 -6.853 1.00 0.00 C ATOM 0 H ILE A 22 15.385 4.009 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 22 17.394 4.340 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 22 17.603 4.096 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.879 1.965 -4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.440 2.207 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.918 3.356 -6.529 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.646 5.023 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.698 3.688 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.800 0.379 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.727 1.725 -7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.188 1.479 -6.841 1.00 0.00 H new ATOM 253 N GLY A 23 17.805 6.787 -4.016 1.00 0.00 N ATOM 254 CA GLY A 23 18.272 8.158 -4.081 1.00 0.00 C ATOM 255 C GLY A 23 19.779 8.242 -3.917 1.00 0.00 C ATOM 256 O GLY A 23 20.317 9.290 -3.558 1.00 0.00 O ATOM 0 H GLY A 23 17.709 6.412 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.984 8.596 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.787 8.746 -3.302 1.00 0.00 H new ATOM 260 N GLY A 24 20.456 7.123 -4.172 1.00 0.00 N ATOM 261 CA GLY A 24 21.898 7.067 -4.032 1.00 0.00 C ATOM 262 C GLY A 24 22.380 5.653 -3.771 1.00 0.00 C ATOM 263 O GLY A 24 21.694 4.876 -3.107 1.00 0.00 O ATOM 0 H GLY A 24 20.025 6.250 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.367 7.450 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.210 7.715 -3.213 1.00 0.00 H new ATOM 267 N VAL A 25 23.552 5.312 -4.295 1.00 0.00 N ATOM 268 CA VAL A 25 24.096 3.968 -4.127 1.00 0.00 C ATOM 269 C VAL A 25 25.497 3.979 -3.516 1.00 0.00 C ATOM 270 O VAL A 25 26.041 2.924 -3.196 1.00 0.00 O ATOM 271 CB VAL A 25 24.151 3.221 -5.473 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.749 2.897 -5.964 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.911 4.039 -6.506 1.00 0.00 C ATOM 0 H VAL A 25 24.142 5.943 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 25 23.422 3.453 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 25 24.683 2.281 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.810 2.370 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.244 2.267 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.187 3.822 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.940 3.496 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.410 4.996 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.929 4.212 -6.156 1.00 0.00 H new ATOM 283 N ASP A 26 26.080 5.165 -3.354 1.00 0.00 N ATOM 284 CA ASP A 26 27.429 5.286 -2.805 1.00 0.00 C ATOM 285 C ASP A 26 27.469 4.927 -1.321 1.00 0.00 C ATOM 286 O ASP A 26 26.463 5.028 -0.618 1.00 0.00 O ATOM 287 CB ASP A 26 27.951 6.709 -3.005 1.00 0.00 C ATOM 288 CG ASP A 26 27.801 7.186 -4.436 1.00 0.00 C ATOM 289 OD1 ASP A 26 26.801 7.874 -4.730 1.00 0.00 O ATOM 290 OD2 ASP A 26 28.684 6.873 -5.262 1.00 0.00 O ATOM 0 H ASP A 26 25.641 6.054 -3.594 1.00 0.00 H new ATOM 0 HA ASP A 26 28.067 4.582 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.414 7.386 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.002 6.751 -2.720 1.00 0.00 H new ATOM 295 N PHE A 27 28.651 4.524 -0.847 1.00 0.00 N ATOM 296 CA PHE A 27 28.841 4.171 0.559 1.00 0.00 C ATOM 297 C PHE A 27 28.251 5.246 1.464 1.00 0.00 C ATOM 298 O PHE A 27 28.852 6.299 1.671 1.00 0.00 O ATOM 299 CB PHE A 27 30.332 3.997 0.866 1.00 0.00 C ATOM 300 CG PHE A 27 30.629 3.118 2.055 1.00 0.00 C ATOM 301 CD1 PHE A 27 31.811 2.396 2.111 1.00 0.00 C ATOM 302 CD2 PHE A 27 29.746 3.028 3.125 1.00 0.00 C ATOM 303 CE1 PHE A 27 32.101 1.594 3.199 1.00 0.00 C ATOM 304 CE2 PHE A 27 30.033 2.228 4.212 1.00 0.00 C ATOM 305 CZ PHE A 27 31.212 1.515 4.252 1.00 0.00 C ATOM 0 H PHE A 27 29.491 4.435 -1.419 1.00 0.00 H new ATOM 0 HA PHE A 27 28.326 3.229 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.824 3.577 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.771 4.980 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 27 32.514 2.461 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 27 28.825 3.591 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 27 33.022 1.030 3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 27 29.333 2.160 5.032 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.440 0.895 5.106 1.00 0.00 H new ATOM 315 N GLY A 28 27.069 4.971 1.997 1.00 0.00 N ATOM 316 CA GLY A 28 26.410 5.926 2.862 1.00 0.00 C ATOM 317 C GLY A 28 25.071 6.376 2.313 1.00 0.00 C ATOM 318 O GLY A 28 24.265 6.959 3.038 1.00 0.00 O ATOM 0 H GLY A 28 26.555 4.103 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.265 5.481 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.054 6.795 2.997 1.00 0.00 H new ATOM 322 N SER A 29 24.830 6.115 1.029 1.00 0.00 N ATOM 323 CA SER A 29 23.568 6.494 0.409 1.00 0.00 C ATOM 324 C SER A 29 22.413 5.746 1.062 1.00 0.00 C ATOM 325 O SER A 29 22.628 4.791 1.809 1.00 0.00 O ATOM 326 CB SER A 29 23.600 6.206 -1.092 1.00 0.00 C ATOM 327 OG SER A 29 24.694 6.857 -1.714 1.00 0.00 O ATOM 0 H SER A 29 25.487 5.647 0.405 1.00 0.00 H new ATOM 0 HA SER A 29 23.421 7.564 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.671 5.131 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 29 22.668 6.538 -1.549 1.00 0.00 H new ATOM 0 HG SER A 29 25.534 6.484 -1.373 1.00 0.00 H new ATOM 333 N SER A 30 21.189 6.183 0.789 1.00 0.00 N ATOM 334 CA SER A 30 20.018 5.545 1.375 1.00 0.00 C ATOM 335 C SER A 30 18.903 5.365 0.351 1.00 0.00 C ATOM 336 O SER A 30 18.726 6.188 -0.547 1.00 0.00 O ATOM 337 CB SER A 30 19.506 6.361 2.563 1.00 0.00 C ATOM 338 OG SER A 30 19.411 7.737 2.236 1.00 0.00 O ATOM 0 H SER A 30 20.983 6.969 0.172 1.00 0.00 H new ATOM 0 HA SER A 30 20.322 4.556 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.528 5.989 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.177 6.232 3.413 1.00 0.00 H new ATOM 0 HG SER A 30 19.080 8.236 3.012 1.00 0.00 H new ATOM 344 N ILE A 31 18.143 4.286 0.510 1.00 0.00 N ATOM 345 CA ILE A 31 17.037 3.977 -0.396 1.00 0.00 C ATOM 346 C ILE A 31 15.700 4.089 0.325 1.00 0.00 C ATOM 347 O ILE A 31 15.653 4.251 1.545 1.00 0.00 O ATOM 348 CB ILE A 31 17.144 2.552 -0.991 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.557 1.987 -0.853 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.736 2.553 -2.448 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.717 0.615 -1.469 1.00 0.00 C ATOM 0 H ILE A 31 18.272 3.607 1.260 1.00 0.00 H new ATOM 0 HA ILE A 31 17.097 4.704 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 31 16.465 1.913 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.262 2.673 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.818 1.936 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.818 1.543 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.705 2.897 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.391 3.220 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.744 0.274 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.036 -0.084 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.487 0.665 -2.533 1.00 0.00 H new ATOM 363 N THR A 32 14.614 3.956 -0.429 1.00 0.00 N ATOM 364 CA THR A 32 13.279 4.014 0.147 1.00 0.00 C ATOM 365 C THR A 32 12.350 3.011 -0.525 1.00 0.00 C ATOM 366 O THR A 32 11.929 3.203 -1.666 1.00 0.00 O ATOM 367 CB THR A 32 12.707 5.427 0.021 1.00 0.00 C ATOM 368 OG1 THR A 32 13.716 6.344 -0.361 1.00 0.00 O ATOM 369 CG2 THR A 32 12.083 5.937 1.301 1.00 0.00 C ATOM 0 H THR A 32 14.634 3.808 -1.438 1.00 0.00 H new ATOM 0 HA THR A 32 13.355 3.755 1.203 1.00 0.00 H new ATOM 0 HB THR A 32 11.929 5.357 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.330 7.242 -0.438 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.697 6.944 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.266 5.278 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.835 5.957 2.090 1.00 0.00 H new ATOM 377 N TYR A 33 12.036 1.939 0.194 1.00 0.00 N ATOM 378 CA TYR A 33 11.156 0.900 -0.322 1.00 0.00 C ATOM 379 C TYR A 33 9.698 1.346 -0.279 1.00 0.00 C ATOM 380 O TYR A 33 9.270 2.012 0.664 1.00 0.00 O ATOM 381 CB TYR A 33 11.328 -0.383 0.492 1.00 0.00 C ATOM 382 CG TYR A 33 12.467 -1.256 0.021 1.00 0.00 C ATOM 383 CD1 TYR A 33 12.216 -2.401 -0.722 1.00 0.00 C ATOM 384 CD2 TYR A 33 13.789 -0.942 0.321 1.00 0.00 C ATOM 385 CE1 TYR A 33 13.248 -3.206 -1.162 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.825 -1.748 -0.112 1.00 0.00 C ATOM 387 CZ TYR A 33 14.549 -2.878 -0.849 1.00 0.00 C ATOM 388 OH TYR A 33 15.579 -3.682 -1.277 1.00 0.00 O ATOM 0 H TYR A 33 12.380 1.768 1.139 1.00 0.00 H new ATOM 0 HA TYR A 33 11.427 0.711 -1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.492 -0.120 1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.402 -0.956 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.197 -2.667 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 33 14.008 -0.057 0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.036 -4.088 -1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.847 -1.493 0.127 1.00 0.00 H new ATOM 0 HH TYR A 33 15.874 -3.391 -2.165 1.00 0.00 H new ATOM 398 N SER A 34 8.938 0.967 -1.301 1.00 0.00 N ATOM 399 CA SER A 34 7.524 1.315 -1.372 1.00 0.00 C ATOM 400 C SER A 34 6.714 0.151 -1.932 1.00 0.00 C ATOM 401 O SER A 34 7.275 -0.790 -2.488 1.00 0.00 O ATOM 402 CB SER A 34 7.325 2.559 -2.242 1.00 0.00 C ATOM 403 OG SER A 34 8.370 3.495 -2.041 1.00 0.00 O ATOM 0 H SER A 34 9.278 0.419 -2.091 1.00 0.00 H new ATOM 0 HA SER A 34 7.173 1.531 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.289 2.270 -3.292 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.367 3.022 -2.006 1.00 0.00 H new ATOM 0 HG SER A 34 8.220 4.279 -2.609 1.00 0.00 H new ATOM 409 N CYS A 35 5.397 0.212 -1.775 1.00 0.00 N ATOM 410 CA CYS A 35 4.526 -0.844 -2.271 1.00 0.00 C ATOM 411 C CYS A 35 4.114 -0.572 -3.714 1.00 0.00 C ATOM 412 O CYS A 35 4.290 0.536 -4.221 1.00 0.00 O ATOM 413 CB CYS A 35 3.287 -0.963 -1.385 1.00 0.00 C ATOM 414 SG CYS A 35 3.491 -2.093 0.030 1.00 0.00 S ATOM 0 H CYS A 35 4.911 0.979 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 35 5.076 -1.785 -2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.024 0.027 -1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.450 -1.307 -1.993 1.00 0.00 H new ATOM 419 N ASN A 36 3.575 -1.591 -4.376 1.00 0.00 N ATOM 420 CA ASN A 36 3.149 -1.457 -5.765 1.00 0.00 C ATOM 421 C ASN A 36 1.998 -0.464 -5.892 1.00 0.00 C ATOM 422 O ASN A 36 2.210 0.712 -6.187 1.00 0.00 O ATOM 423 CB ASN A 36 2.733 -2.818 -6.327 1.00 0.00 C ATOM 424 CG ASN A 36 3.795 -3.420 -7.226 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.511 -2.704 -7.924 1.00 0.00 O ATOM 426 ND2 ASN A 36 3.903 -4.743 -7.210 1.00 0.00 N ATOM 0 H ASN A 36 3.423 -2.516 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 36 3.993 -1.077 -6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.528 -3.501 -5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.805 -2.708 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.601 -5.205 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.288 -5.298 -6.615 1.00 0.00 H new ATOM 433 N SER A 37 0.779 -0.945 -5.671 1.00 0.00 N ATOM 434 CA SER A 37 -0.405 -0.100 -5.760 1.00 0.00 C ATOM 435 C SER A 37 -1.526 -0.649 -4.887 1.00 0.00 C ATOM 436 O SER A 37 -1.812 -1.846 -4.908 1.00 0.00 O ATOM 437 CB SER A 37 -0.875 0.006 -7.212 1.00 0.00 C ATOM 438 OG SER A 37 -0.158 1.011 -7.908 1.00 0.00 O ATOM 0 H SER A 37 0.586 -1.917 -5.429 1.00 0.00 H new ATOM 0 HA SER A 37 -0.142 0.895 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.741 -0.953 -7.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.941 0.232 -7.237 1.00 0.00 H new ATOM 0 HG SER A 37 0.689 1.186 -7.448 1.00 0.00 H new ATOM 444 N GLY A 38 -2.154 0.231 -4.117 1.00 0.00 N ATOM 445 CA GLY A 38 -3.218 -0.192 -3.229 1.00 0.00 C ATOM 446 C GLY A 38 -2.721 -1.152 -2.167 1.00 0.00 C ATOM 447 O GLY A 38 -3.485 -1.955 -1.633 1.00 0.00 O ATOM 0 H GLY A 38 -1.945 1.229 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.660 0.682 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.007 -0.670 -3.810 1.00 0.00 H new ATOM 451 N TYR A 39 -1.428 -1.071 -1.871 1.00 0.00 N ATOM 452 CA TYR A 39 -0.810 -1.939 -0.878 1.00 0.00 C ATOM 453 C TYR A 39 -0.276 -1.128 0.296 1.00 0.00 C ATOM 454 O TYR A 39 -0.229 0.101 0.245 1.00 0.00 O ATOM 455 CB TYR A 39 0.339 -2.727 -1.511 1.00 0.00 C ATOM 456 CG TYR A 39 -0.071 -4.067 -2.077 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.280 -4.225 -2.743 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.761 -5.173 -1.956 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.650 -5.450 -3.266 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.397 -6.401 -2.475 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.808 -6.534 -3.131 1.00 0.00 C ATOM 462 OH TYR A 39 -1.176 -7.754 -3.649 1.00 0.00 O ATOM 0 H TYR A 39 -0.786 -0.409 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.571 -2.629 -0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.781 -2.128 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.115 -2.883 -0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.941 -3.378 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.708 -5.071 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.595 -5.558 -3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.053 -7.252 -2.367 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.472 -8.411 -3.470 1.00 0.00 H new ATOM 472 N HIS A 40 0.151 -1.825 1.342 1.00 0.00 N ATOM 473 CA HIS A 40 0.721 -1.171 2.512 1.00 0.00 C ATOM 474 C HIS A 40 1.993 -1.882 2.958 1.00 0.00 C ATOM 475 O HIS A 40 1.965 -3.055 3.330 1.00 0.00 O ATOM 476 CB HIS A 40 -0.296 -1.122 3.657 1.00 0.00 C ATOM 477 CG HIS A 40 -0.539 -2.445 4.315 1.00 0.00 C ATOM 478 ND1 HIS A 40 -0.526 -2.618 5.683 1.00 0.00 N ATOM 479 CD2 HIS A 40 -0.819 -3.659 3.787 1.00 0.00 C ATOM 480 CE1 HIS A 40 -0.783 -3.883 5.967 1.00 0.00 C ATOM 481 NE2 HIS A 40 -0.961 -4.535 4.834 1.00 0.00 N ATOM 0 H HIS A 40 0.113 -2.842 1.403 1.00 0.00 H new ATOM 0 HA HIS A 40 0.976 -0.147 2.238 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.052 -0.413 4.408 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.242 -0.740 3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.913 -3.895 2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.838 -4.310 6.957 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.170 -5.530 4.750 1.00 0.00 H new ATOM 490 N LEU A 41 3.114 -1.171 2.884 1.00 0.00 N ATOM 491 CA LEU A 41 4.404 -1.726 3.271 1.00 0.00 C ATOM 492 C LEU A 41 4.512 -1.824 4.784 1.00 0.00 C ATOM 493 O LEU A 41 4.283 -0.848 5.498 1.00 0.00 O ATOM 494 CB LEU A 41 5.541 -0.857 2.724 1.00 0.00 C ATOM 495 CG LEU A 41 6.931 -1.178 3.281 1.00 0.00 C ATOM 496 CD1 LEU A 41 8.006 -0.833 2.259 1.00 0.00 C ATOM 497 CD2 LEU A 41 7.168 -0.434 4.587 1.00 0.00 C ATOM 0 H LEU A 41 3.153 -0.205 2.558 1.00 0.00 H new ATOM 0 HA LEU A 41 4.486 -2.728 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.568 -0.962 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.314 0.188 2.937 1.00 0.00 H new ATOM 0 HG LEU A 41 6.984 -2.247 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.988 -1.067 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.845 -1.414 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.956 0.230 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.161 -0.674 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.097 0.640 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.417 -0.733 5.318 1.00 0.00 H new ATOM 509 N ILE A 42 4.857 -3.008 5.270 1.00 0.00 N ATOM 510 CA ILE A 42 4.994 -3.224 6.702 1.00 0.00 C ATOM 511 C ILE A 42 6.457 -3.200 7.115 1.00 0.00 C ATOM 512 O ILE A 42 7.343 -3.530 6.327 1.00 0.00 O ATOM 513 CB ILE A 42 4.367 -4.557 7.153 1.00 0.00 C ATOM 514 CG1 ILE A 42 3.138 -4.892 6.304 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.988 -4.482 8.622 1.00 0.00 C ATOM 516 CD1 ILE A 42 2.115 -3.779 6.270 1.00 0.00 C ATOM 0 H ILE A 42 5.046 -3.830 4.696 1.00 0.00 H new ATOM 0 HA ILE A 42 4.458 -2.410 7.190 1.00 0.00 H new ATOM 0 HB ILE A 42 5.102 -5.350 7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.458 -5.114 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.670 -5.795 6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.545 -5.429 8.932 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.879 -4.285 9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.267 -3.678 8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.270 -4.081 5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.768 -3.572 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.569 -2.881 5.851 1.00 0.00 H new ATOM 528 N GLY A 43 6.701 -2.798 8.352 1.00 0.00 N ATOM 529 CA GLY A 43 8.059 -2.738 8.854 1.00 0.00 C ATOM 530 C GLY A 43 8.815 -1.527 8.350 1.00 0.00 C ATOM 531 O GLY A 43 8.261 -0.431 8.257 1.00 0.00 O ATOM 0 H GLY A 43 5.984 -2.512 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.039 -2.721 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.591 -3.642 8.559 1.00 0.00 H new ATOM 535 N GLU A 44 10.085 -1.728 8.021 1.00 0.00 N ATOM 536 CA GLU A 44 10.928 -0.651 7.519 1.00 0.00 C ATOM 537 C GLU A 44 10.511 -0.242 6.112 1.00 0.00 C ATOM 538 O GLU A 44 9.638 -0.861 5.506 1.00 0.00 O ATOM 539 CB GLU A 44 12.396 -1.086 7.512 1.00 0.00 C ATOM 540 CG GLU A 44 12.606 -2.496 6.986 1.00 0.00 C ATOM 541 CD GLU A 44 13.698 -2.574 5.939 1.00 0.00 C ATOM 542 OE1 GLU A 44 14.387 -3.614 5.876 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.861 -1.597 5.178 1.00 0.00 O ATOM 0 H GLU A 44 10.555 -2.630 8.093 1.00 0.00 H new ATOM 0 HA GLU A 44 10.807 0.206 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.971 -0.389 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.791 -1.022 8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.857 -3.155 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.672 -2.863 6.559 1.00 0.00 H new ATOM 550 N SER A 45 11.154 0.798 5.596 1.00 0.00 N ATOM 551 CA SER A 45 10.872 1.292 4.255 1.00 0.00 C ATOM 552 C SER A 45 12.060 2.080 3.722 1.00 0.00 C ATOM 553 O SER A 45 11.906 2.972 2.888 1.00 0.00 O ATOM 554 CB SER A 45 9.621 2.172 4.265 1.00 0.00 C ATOM 555 OG SER A 45 8.883 2.028 3.064 1.00 0.00 O ATOM 0 H SER A 45 11.879 1.318 6.090 1.00 0.00 H new ATOM 0 HA SER A 45 10.695 0.438 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.993 1.906 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.908 3.215 4.395 1.00 0.00 H new ATOM 0 HG SER A 45 9.496 2.046 2.299 1.00 0.00 H new ATOM 561 N LYS A 46 13.247 1.746 4.218 1.00 0.00 N ATOM 562 CA LYS A 46 14.461 2.429 3.813 1.00 0.00 C ATOM 563 C LYS A 46 15.663 1.495 3.885 1.00 0.00 C ATOM 564 O LYS A 46 15.694 0.563 4.689 1.00 0.00 O ATOM 565 CB LYS A 46 14.695 3.642 4.710 1.00 0.00 C ATOM 566 CG LYS A 46 13.935 4.878 4.266 1.00 0.00 C ATOM 567 CD LYS A 46 14.638 6.152 4.703 1.00 0.00 C ATOM 568 CE LYS A 46 15.332 6.835 3.535 1.00 0.00 C ATOM 569 NZ LYS A 46 16.009 8.094 3.951 1.00 0.00 N ATOM 0 H LYS A 46 13.390 1.004 4.903 1.00 0.00 H new ATOM 0 HA LYS A 46 14.342 2.756 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.402 3.392 5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.761 3.868 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.832 4.872 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.928 4.856 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.913 6.835 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.370 5.918 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.065 6.155 3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.601 7.056 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.470 8.529 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.306 8.753 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.724 7.881 4.675 1.00 0.00 H new ATOM 583 N SER A 47 16.654 1.761 3.046 1.00 0.00 N ATOM 584 CA SER A 47 17.869 0.959 3.011 1.00 0.00 C ATOM 585 C SER A 47 19.095 1.864 3.018 1.00 0.00 C ATOM 586 O SER A 47 19.077 2.944 2.432 1.00 0.00 O ATOM 587 CB SER A 47 17.870 0.067 1.769 1.00 0.00 C ATOM 588 OG SER A 47 16.725 0.311 0.975 1.00 0.00 O ATOM 0 H SER A 47 16.640 2.531 2.377 1.00 0.00 H new ATOM 0 HA SER A 47 17.902 0.325 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 47 18.770 0.252 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.894 -0.981 2.068 1.00 0.00 H new ATOM 0 HG SER A 47 16.003 -0.293 1.247 1.00 0.00 H new ATOM 594 N TYR A 48 20.148 1.439 3.706 1.00 0.00 N ATOM 595 CA TYR A 48 21.356 2.245 3.813 1.00 0.00 C ATOM 596 C TYR A 48 22.555 1.557 3.178 1.00 0.00 C ATOM 597 O TYR A 48 22.893 0.423 3.518 1.00 0.00 O ATOM 598 CB TYR A 48 21.648 2.565 5.279 1.00 0.00 C ATOM 599 CG TYR A 48 20.411 2.932 6.064 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.393 3.672 5.477 1.00 0.00 C ATOM 601 CD2 TYR A 48 20.253 2.530 7.384 1.00 0.00 C ATOM 602 CE1 TYR A 48 18.256 4.008 6.184 1.00 0.00 C ATOM 603 CE2 TYR A 48 19.119 2.864 8.100 1.00 0.00 C ATOM 604 CZ TYR A 48 18.122 3.601 7.495 1.00 0.00 C ATOM 605 OH TYR A 48 16.990 3.933 8.203 1.00 0.00 O ATOM 0 H TYR A 48 20.189 0.545 4.196 1.00 0.00 H new ATOM 0 HA TYR A 48 21.182 3.173 3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 48 22.124 1.702 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.361 3.388 5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.493 3.990 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 48 21.029 1.947 7.858 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.475 4.587 5.713 1.00 0.00 H new ATOM 0 HE2 TYR A 48 19.014 2.550 9.128 1.00 0.00 H new ATOM 0 HH TYR A 48 17.053 3.569 9.111 1.00 0.00 H new ATOM 615 N CYS A 49 23.202 2.268 2.263 1.00 0.00 N ATOM 616 CA CYS A 49 24.380 1.752 1.582 1.00 0.00 C ATOM 617 C CYS A 49 25.584 1.757 2.512 1.00 0.00 C ATOM 618 O CYS A 49 26.042 2.815 2.944 1.00 0.00 O ATOM 619 CB CYS A 49 24.687 2.592 0.341 1.00 0.00 C ATOM 620 SG CYS A 49 26.270 2.183 -0.464 1.00 0.00 S ATOM 0 H CYS A 49 22.928 3.208 1.975 1.00 0.00 H new ATOM 0 HA CYS A 49 24.173 0.726 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.881 2.462 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.696 3.645 0.622 1.00 0.00 H new ATOM 625 N GLU A 50 26.111 0.576 2.794 1.00 0.00 N ATOM 626 CA GLU A 50 27.276 0.456 3.652 1.00 0.00 C ATOM 627 C GLU A 50 27.968 -0.880 3.447 1.00 0.00 C ATOM 628 O GLU A 50 27.443 -1.781 2.793 1.00 0.00 O ATOM 629 CB GLU A 50 26.874 0.661 5.118 1.00 0.00 C ATOM 630 CG GLU A 50 27.832 0.091 6.150 1.00 0.00 C ATOM 631 CD GLU A 50 27.318 0.236 7.569 1.00 0.00 C ATOM 632 OE1 GLU A 50 27.485 1.328 8.152 1.00 0.00 O ATOM 633 OE2 GLU A 50 26.751 -0.743 8.098 1.00 0.00 O ATOM 0 H GLU A 50 25.750 -0.311 2.441 1.00 0.00 H new ATOM 0 HA GLU A 50 27.990 1.234 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.767 1.730 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.893 0.212 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.004 -0.964 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 50 28.795 0.595 6.063 1.00 0.00 H new ATOM 640 N LEU A 51 29.166 -0.974 3.987 1.00 0.00 N ATOM 641 CA LEU A 51 29.976 -2.180 3.859 1.00 0.00 C ATOM 642 C LEU A 51 29.584 -3.229 4.899 1.00 0.00 C ATOM 643 O LEU A 51 29.312 -2.905 6.056 1.00 0.00 O ATOM 644 CB LEU A 51 31.474 -1.832 3.938 1.00 0.00 C ATOM 645 CG LEU A 51 32.144 -2.026 5.300 1.00 0.00 C ATOM 646 CD1 LEU A 51 33.047 -0.847 5.627 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.932 -3.324 5.316 1.00 0.00 C ATOM 0 H LEU A 51 29.607 -0.227 4.523 1.00 0.00 H new ATOM 0 HA LEU A 51 29.784 -2.618 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 51 32.005 -2.440 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.600 -0.791 3.640 1.00 0.00 H new ATOM 0 HG LEU A 51 31.368 -2.080 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 51 33.514 -1.005 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 51 33.820 -0.758 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 51 32.456 0.068 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 51 33.404 -3.451 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.259 -4.160 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 51 33.699 -3.294 4.542 1.00 0.00 H new ATOM 659 N GLY A 52 29.559 -4.487 4.471 1.00 0.00 N ATOM 660 CA GLY A 52 29.203 -5.572 5.366 1.00 0.00 C ATOM 661 C GLY A 52 29.186 -6.916 4.667 1.00 0.00 C ATOM 662 O GLY A 52 28.121 -7.450 4.357 1.00 0.00 O ATOM 0 H GLY A 52 29.780 -4.775 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.912 -5.605 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.221 -5.377 5.796 1.00 0.00 H new ATOM 666 N SER A 53 30.370 -7.462 4.416 1.00 0.00 N ATOM 667 CA SER A 53 30.495 -8.750 3.745 1.00 0.00 C ATOM 668 C SER A 53 31.953 -9.178 3.675 1.00 0.00 C ATOM 669 O SER A 53 32.502 -9.379 2.592 1.00 0.00 O ATOM 670 CB SER A 53 29.907 -8.670 2.337 1.00 0.00 C ATOM 671 OG SER A 53 29.870 -9.947 1.725 1.00 0.00 O ATOM 0 H SER A 53 31.260 -7.031 4.668 1.00 0.00 H new ATOM 0 HA SER A 53 29.942 -9.492 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 53 28.900 -8.257 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 53 30.503 -7.989 1.729 1.00 0.00 H new ATOM 0 HG SER A 53 30.782 -10.295 1.639 1.00 0.00 H new ATOM 677 N THR A 54 32.579 -9.298 4.839 1.00 0.00 N ATOM 678 CA THR A 54 33.982 -9.682 4.919 1.00 0.00 C ATOM 679 C THR A 54 34.879 -8.633 4.261 1.00 0.00 C ATOM 680 O THR A 54 36.055 -8.889 4.000 1.00 0.00 O ATOM 681 CB THR A 54 34.199 -11.043 4.252 1.00 0.00 C ATOM 682 OG1 THR A 54 34.378 -10.893 2.855 1.00 0.00 O ATOM 683 CG2 THR A 54 33.052 -12.006 4.469 1.00 0.00 C ATOM 0 H THR A 54 32.135 -9.134 5.743 1.00 0.00 H new ATOM 0 HA THR A 54 34.251 -9.752 5.973 1.00 0.00 H new ATOM 0 HB THR A 54 35.091 -11.457 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 54 33.551 -10.554 2.454 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.270 -12.950 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.921 -12.181 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.137 -11.581 4.056 1.00 0.00 H new ATOM 691 N GLY A 55 34.323 -7.451 3.994 1.00 0.00 N ATOM 692 CA GLY A 55 35.098 -6.394 3.371 1.00 0.00 C ATOM 693 C GLY A 55 34.505 -5.936 2.053 1.00 0.00 C ATOM 694 O GLY A 55 35.234 -5.562 1.135 1.00 0.00 O ATOM 0 H GLY A 55 33.353 -7.210 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.161 -5.545 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.116 -6.745 3.205 1.00 0.00 H new ATOM 698 N SER A 56 33.179 -5.960 1.960 1.00 0.00 N ATOM 699 CA SER A 56 32.495 -5.545 0.741 1.00 0.00 C ATOM 700 C SER A 56 31.353 -4.584 1.046 1.00 0.00 C ATOM 701 O SER A 56 31.159 -4.169 2.188 1.00 0.00 O ATOM 702 CB SER A 56 31.949 -6.762 -0.006 1.00 0.00 C ATOM 703 OG SER A 56 32.132 -6.626 -1.404 1.00 0.00 O ATOM 0 H SER A 56 32.559 -6.261 2.712 1.00 0.00 H new ATOM 0 HA SER A 56 33.224 -5.031 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.452 -7.663 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.889 -6.883 0.215 1.00 0.00 H new ATOM 0 HG SER A 56 31.776 -7.418 -1.859 1.00 0.00 H new ATOM 709 N MET A 57 30.596 -4.247 0.010 1.00 0.00 N ATOM 710 CA MET A 57 29.468 -3.342 0.139 1.00 0.00 C ATOM 711 C MET A 57 28.178 -4.124 0.336 1.00 0.00 C ATOM 712 O MET A 57 28.084 -5.296 -0.030 1.00 0.00 O ATOM 713 CB MET A 57 29.365 -2.449 -1.097 1.00 0.00 C ATOM 714 CG MET A 57 30.718 -2.057 -1.666 1.00 0.00 C ATOM 715 SD MET A 57 31.130 -2.959 -3.171 1.00 0.00 S ATOM 716 CE MET A 57 32.916 -3.011 -3.055 1.00 0.00 C ATOM 0 H MET A 57 30.748 -4.593 -0.938 1.00 0.00 H new ATOM 0 HA MET A 57 29.626 -2.712 1.014 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.791 -2.968 -1.865 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.811 -1.546 -0.840 1.00 0.00 H new ATOM 0 HG2 MET A 57 30.723 -0.987 -1.876 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.489 -2.238 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.348 -2.937 -4.053 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.265 -2.177 -2.446 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.224 -3.950 -2.595 1.00 0.00 H new ATOM 726 N VAL A 58 27.196 -3.472 0.933 1.00 0.00 N ATOM 727 CA VAL A 58 25.915 -4.107 1.211 1.00 0.00 C ATOM 728 C VAL A 58 24.823 -3.070 1.446 1.00 0.00 C ATOM 729 O VAL A 58 25.063 -1.867 1.342 1.00 0.00 O ATOM 730 CB VAL A 58 26.010 -5.023 2.441 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.631 -6.360 2.065 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.810 -4.343 3.538 1.00 0.00 C ATOM 0 H VAL A 58 27.259 -2.500 1.236 1.00 0.00 H new ATOM 0 HA VAL A 58 25.657 -4.703 0.336 1.00 0.00 H new ATOM 0 HB VAL A 58 25.004 -5.213 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.690 -6.995 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.016 -6.847 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.633 -6.197 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.871 -5.001 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.815 -4.127 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 58 26.319 -3.412 3.823 1.00 0.00 H new ATOM 742 N TRP A 59 23.626 -3.544 1.773 1.00 0.00 N ATOM 743 CA TRP A 59 22.493 -2.663 2.011 1.00 0.00 C ATOM 744 C TRP A 59 21.749 -3.055 3.285 1.00 0.00 C ATOM 745 O TRP A 59 21.331 -4.203 3.442 1.00 0.00 O ATOM 746 CB TRP A 59 21.540 -2.714 0.819 1.00 0.00 C ATOM 747 CG TRP A 59 22.063 -2.004 -0.392 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.747 -2.557 -1.437 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.939 -0.610 -0.685 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.054 -1.588 -2.363 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.570 -0.385 -1.923 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.355 0.471 -0.022 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.632 0.878 -2.506 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.426 1.722 -0.598 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.046 1.914 -1.832 1.00 0.00 C ATOM 0 H TRP A 59 23.417 -4.537 1.879 1.00 0.00 H new ATOM 0 HA TRP A 59 22.870 -1.648 2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.344 -3.756 0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.586 -2.272 1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.008 -3.601 -1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.560 -1.740 -3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.856 0.330 0.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.124 1.034 -3.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.994 2.568 -0.084 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.064 2.903 -2.265 1.00 0.00 H new ATOM 766 N ASN A 60 21.574 -2.093 4.186 1.00 0.00 N ATOM 767 CA ASN A 60 20.877 -2.340 5.445 1.00 0.00 C ATOM 768 C ASN A 60 20.164 -1.073 5.923 1.00 0.00 C ATOM 769 O ASN A 60 20.798 -0.028 6.066 1.00 0.00 O ATOM 770 CB ASN A 60 21.861 -2.811 6.521 1.00 0.00 C ATOM 771 CG ASN A 60 23.246 -2.211 6.361 1.00 0.00 C ATOM 772 OD1 ASN A 60 23.577 -1.208 6.993 1.00 0.00 O ATOM 773 ND2 ASN A 60 24.060 -2.825 5.511 1.00 0.00 N ATOM 0 H ASN A 60 21.905 -1.135 4.068 1.00 0.00 H new ATOM 0 HA ASN A 60 20.137 -3.121 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.469 -2.549 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.936 -3.898 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.003 -2.468 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.742 -3.654 5.009 1.00 0.00 H new ATOM 780 N PRO A 61 18.835 -1.123 6.155 1.00 0.00 N ATOM 781 CA PRO A 61 18.015 -2.338 6.021 1.00 0.00 C ATOM 782 C PRO A 61 17.867 -2.803 4.574 1.00 0.00 C ATOM 783 O PRO A 61 18.515 -2.278 3.671 1.00 0.00 O ATOM 784 CB PRO A 61 16.647 -1.918 6.578 1.00 0.00 C ATOM 785 CG PRO A 61 16.903 -0.667 7.343 1.00 0.00 C ATOM 786 CD PRO A 61 18.033 0.011 6.632 1.00 0.00 C ATOM 0 HA PRO A 61 18.471 -3.179 6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.930 -1.748 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.229 -2.693 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.017 -0.033 7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.165 -0.886 8.378 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.680 0.633 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.602 0.658 7.299 1.00 0.00 H new ATOM 794 N GLU A 62 17.047 -3.832 4.379 1.00 0.00 N ATOM 795 CA GLU A 62 16.817 -4.408 3.063 1.00 0.00 C ATOM 796 C GLU A 62 15.376 -4.141 2.592 1.00 0.00 C ATOM 797 O GLU A 62 14.824 -3.073 2.855 1.00 0.00 O ATOM 798 CB GLU A 62 17.117 -5.911 3.097 1.00 0.00 C ATOM 799 CG GLU A 62 18.177 -6.320 4.106 1.00 0.00 C ATOM 800 CD GLU A 62 19.227 -7.236 3.510 1.00 0.00 C ATOM 801 OE1 GLU A 62 19.735 -8.113 4.241 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.543 -7.076 2.312 1.00 0.00 O ATOM 0 H GLU A 62 16.526 -4.287 5.128 1.00 0.00 H new ATOM 0 HA GLU A 62 17.489 -3.934 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.195 -6.448 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.437 -6.227 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.661 -5.427 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.698 -6.821 4.947 1.00 0.00 H new ATOM 809 N ALA A 63 14.769 -5.114 1.899 1.00 0.00 N ATOM 810 CA ALA A 63 13.404 -4.976 1.405 1.00 0.00 C ATOM 811 C ALA A 63 12.390 -5.398 2.470 1.00 0.00 C ATOM 812 O ALA A 63 12.349 -6.563 2.864 1.00 0.00 O ATOM 813 CB ALA A 63 13.217 -5.812 0.148 1.00 0.00 C ATOM 0 H ALA A 63 15.209 -6.006 1.670 1.00 0.00 H new ATOM 0 HA ALA A 63 13.232 -3.926 1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.194 -5.702 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.912 -5.474 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.411 -6.860 0.376 1.00 0.00 H new ATOM 819 N PRO A 64 11.543 -4.464 2.941 1.00 0.00 N ATOM 820 CA PRO A 64 10.540 -4.753 3.972 1.00 0.00 C ATOM 821 C PRO A 64 9.375 -5.587 3.440 1.00 0.00 C ATOM 822 O PRO A 64 9.537 -6.375 2.508 1.00 0.00 O ATOM 823 CB PRO A 64 10.050 -3.364 4.409 1.00 0.00 C ATOM 824 CG PRO A 64 10.996 -2.392 3.789 1.00 0.00 C ATOM 825 CD PRO A 64 11.515 -3.050 2.550 1.00 0.00 C ATOM 0 HA PRO A 64 10.962 -5.343 4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.028 -3.185 4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.050 -3.272 5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.492 -1.455 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.810 -2.151 4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.864 -2.877 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.504 -2.683 2.277 1.00 0.00 H new ATOM 833 N ILE A 65 8.200 -5.411 4.044 1.00 0.00 N ATOM 834 CA ILE A 65 7.013 -6.161 3.653 1.00 0.00 C ATOM 835 C ILE A 65 6.084 -5.322 2.781 1.00 0.00 C ATOM 836 O ILE A 65 6.215 -4.102 2.707 1.00 0.00 O ATOM 837 CB ILE A 65 6.227 -6.640 4.885 1.00 0.00 C ATOM 838 CG1 ILE A 65 7.181 -7.074 5.999 1.00 0.00 C ATOM 839 CG2 ILE A 65 5.292 -7.774 4.512 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.893 -8.378 5.713 1.00 0.00 C ATOM 0 H ILE A 65 8.048 -4.753 4.808 1.00 0.00 H new ATOM 0 HA ILE A 65 7.363 -7.022 3.084 1.00 0.00 H new ATOM 0 HB ILE A 65 5.628 -5.807 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.923 -6.291 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.620 -7.172 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.744 -8.100 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.587 -7.430 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.871 -8.608 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.552 -8.623 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.159 -9.173 5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.482 -8.279 4.801 1.00 0.00 H new ATOM 852 N CYS A 66 5.128 -5.988 2.146 1.00 0.00 N ATOM 853 CA CYS A 66 4.156 -5.318 1.296 1.00 0.00 C ATOM 854 C CYS A 66 2.965 -6.231 1.030 1.00 0.00 C ATOM 855 O CYS A 66 3.120 -7.325 0.489 1.00 0.00 O ATOM 856 CB CYS A 66 4.800 -4.904 -0.024 1.00 0.00 C ATOM 857 SG CYS A 66 5.383 -3.179 -0.059 1.00 0.00 S ATOM 0 H CYS A 66 5.006 -6.999 2.205 1.00 0.00 H new ATOM 0 HA CYS A 66 3.806 -4.424 1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.642 -5.565 -0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.079 -5.049 -0.829 1.00 0.00 H new ATOM 862 N GLU A 67 1.779 -5.783 1.425 1.00 0.00 N ATOM 863 CA GLU A 67 0.570 -6.577 1.245 1.00 0.00 C ATOM 864 C GLU A 67 -0.582 -5.723 0.732 1.00 0.00 C ATOM 865 O GLU A 67 -0.489 -4.497 0.683 1.00 0.00 O ATOM 866 CB GLU A 67 0.176 -7.235 2.569 1.00 0.00 C ATOM 867 CG GLU A 67 0.218 -8.754 2.530 1.00 0.00 C ATOM 868 CD GLU A 67 -1.132 -9.383 2.818 1.00 0.00 C ATOM 869 OE1 GLU A 67 -1.509 -9.462 4.006 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.810 -9.798 1.855 1.00 0.00 O ATOM 0 H GLU A 67 1.629 -4.878 1.870 1.00 0.00 H new ATOM 0 HA GLU A 67 0.780 -7.347 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.845 -6.881 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.830 -6.915 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.564 -9.079 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.945 -9.112 3.259 1.00 0.00 H new ATOM 877 N SER A 68 -1.673 -6.384 0.360 1.00 0.00 N ATOM 878 CA SER A 68 -2.854 -5.693 -0.136 1.00 0.00 C ATOM 879 C SER A 68 -3.836 -5.418 0.995 1.00 0.00 C ATOM 880 O SER A 68 -4.542 -6.315 1.455 1.00 0.00 O ATOM 881 CB SER A 68 -3.537 -6.520 -1.226 1.00 0.00 C ATOM 882 OG SER A 68 -4.412 -7.482 -0.666 1.00 0.00 O ATOM 0 H SER A 68 -1.762 -7.400 0.393 1.00 0.00 H new ATOM 0 HA SER A 68 -2.535 -4.741 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.095 -5.860 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.783 -7.020 -1.833 1.00 0.00 H new ATOM 0 HG SER A 68 -4.256 -7.543 0.300 1.00 0.00 H new ATOM 888 N VAL A 69 -3.863 -4.172 1.446 1.00 0.00 N ATOM 889 CA VAL A 69 -4.749 -3.754 2.499 1.00 0.00 C ATOM 890 C VAL A 69 -6.205 -3.990 2.098 1.00 0.00 C ATOM 891 O VAL A 69 -6.851 -3.125 1.506 1.00 0.00 O ATOM 892 CB VAL A 69 -4.496 -2.271 2.803 1.00 0.00 C ATOM 893 CG1 VAL A 69 -4.513 -1.462 1.518 1.00 0.00 C ATOM 894 CG2 VAL A 69 -5.495 -1.736 3.794 1.00 0.00 C ATOM 0 H VAL A 69 -3.266 -3.428 1.085 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.556 -4.341 3.397 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.509 -2.179 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.332 -0.412 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.734 -1.827 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.485 -1.566 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.288 -0.684 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.501 -1.839 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.420 -2.298 4.725 1.00 0.00 H new ATOM 904 N LYS A 70 -6.700 -5.184 2.411 1.00 0.00 N ATOM 905 CA LYS A 70 -8.059 -5.583 2.060 1.00 0.00 C ATOM 906 C LYS A 70 -9.110 -4.722 2.755 1.00 0.00 C ATOM 907 O LYS A 70 -8.876 -4.184 3.838 1.00 0.00 O ATOM 908 CB LYS A 70 -8.277 -7.049 2.441 1.00 0.00 C ATOM 909 CG LYS A 70 -8.933 -7.877 1.350 1.00 0.00 C ATOM 910 CD LYS A 70 -8.728 -9.364 1.585 1.00 0.00 C ATOM 911 CE LYS A 70 -8.658 -10.132 0.276 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.431 -11.587 0.498 1.00 0.00 N ATOM 0 H LYS A 70 -6.173 -5.899 2.913 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.173 -5.446 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.315 -7.495 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.895 -7.093 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.000 -7.656 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.518 -7.599 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.809 -9.521 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.545 -9.753 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.585 -9.990 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.854 -9.729 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.389 -12.076 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.533 -11.725 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.211 -11.978 1.063 1.00 0.00 H new ATOM 926 N CYS A 71 -10.284 -4.632 2.134 1.00 0.00 N ATOM 927 CA CYS A 71 -11.406 -3.890 2.697 1.00 0.00 C ATOM 928 C CYS A 71 -12.577 -4.830 2.934 1.00 0.00 C ATOM 929 O CYS A 71 -12.998 -5.549 2.028 1.00 0.00 O ATOM 930 CB CYS A 71 -11.858 -2.746 1.776 1.00 0.00 C ATOM 931 SG CYS A 71 -10.746 -2.372 0.375 1.00 0.00 S ATOM 0 H CYS A 71 -10.482 -5.068 1.233 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.071 -3.455 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.843 -2.991 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.972 -1.844 2.377 1.00 0.00 H new ATOM 936 N GLN A 72 -13.099 -4.831 4.150 1.00 0.00 N ATOM 937 CA GLN A 72 -14.223 -5.691 4.481 1.00 0.00 C ATOM 938 C GLN A 72 -15.510 -5.152 3.859 1.00 0.00 C ATOM 939 O GLN A 72 -15.468 -4.356 2.921 1.00 0.00 O ATOM 940 CB GLN A 72 -14.351 -5.844 6.006 1.00 0.00 C ATOM 941 CG GLN A 72 -15.231 -4.801 6.674 1.00 0.00 C ATOM 942 CD GLN A 72 -14.755 -4.434 8.066 1.00 0.00 C ATOM 943 OE1 GLN A 72 -15.441 -4.687 9.057 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.575 -3.832 8.147 1.00 0.00 N ATOM 0 H GLN A 72 -12.765 -4.250 4.919 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.044 -6.682 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.751 -6.833 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.356 -5.797 6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.256 -3.904 6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -16.252 -5.177 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.040 -3.642 7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.203 -3.560 9.057 1.00 0.00 H new ATOM 953 N SER A 73 -16.649 -5.583 4.387 1.00 0.00 N ATOM 954 CA SER A 73 -17.939 -5.129 3.885 1.00 0.00 C ATOM 955 C SER A 73 -17.972 -3.606 3.796 1.00 0.00 C ATOM 956 O SER A 73 -17.475 -2.917 4.687 1.00 0.00 O ATOM 957 CB SER A 73 -19.066 -5.626 4.793 1.00 0.00 C ATOM 958 OG SER A 73 -20.217 -4.808 4.672 1.00 0.00 O ATOM 0 H SER A 73 -16.705 -6.245 5.161 1.00 0.00 H new ATOM 0 HA SER A 73 -18.084 -5.540 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.318 -6.655 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.727 -5.631 5.829 1.00 0.00 H new ATOM 0 HG SER A 73 -20.790 -4.931 5.457 1.00 0.00 H new ATOM 964 N PRO A 74 -18.527 -3.056 2.705 1.00 0.00 N ATOM 965 CA PRO A 74 -18.607 -1.607 2.518 1.00 0.00 C ATOM 966 C PRO A 74 -19.330 -0.931 3.678 1.00 0.00 C ATOM 967 O PRO A 74 -20.019 -1.589 4.458 1.00 0.00 O ATOM 968 CB PRO A 74 -19.390 -1.442 1.209 1.00 0.00 C ATOM 969 CG PRO A 74 -19.270 -2.757 0.514 1.00 0.00 C ATOM 970 CD PRO A 74 -19.148 -3.795 1.593 1.00 0.00 C ATOM 0 HA PRO A 74 -17.622 -1.142 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.433 -1.193 1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.977 -0.636 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.142 -2.947 -0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.399 -2.773 -0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.120 -4.201 1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.532 -4.636 1.275 1.00 0.00 H new ATOM 978 N PRO A 75 -19.166 0.393 3.821 1.00 0.00 N ATOM 979 CA PRO A 75 -19.796 1.156 4.898 1.00 0.00 C ATOM 980 C PRO A 75 -21.224 0.703 5.178 1.00 0.00 C ATOM 981 O PRO A 75 -21.885 0.126 4.315 1.00 0.00 O ATOM 982 CB PRO A 75 -19.778 2.580 4.355 1.00 0.00 C ATOM 983 CG PRO A 75 -18.552 2.637 3.508 1.00 0.00 C ATOM 984 CD PRO A 75 -18.357 1.255 2.937 1.00 0.00 C ATOM 0 HA PRO A 75 -19.278 1.035 5.850 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.674 2.795 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.739 3.313 5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.665 3.373 2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.687 2.938 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.696 1.198 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.307 0.963 2.945 1.00 0.00 H new ATOM 992 N SER A 76 -21.691 0.962 6.394 1.00 0.00 N ATOM 993 CA SER A 76 -23.041 0.581 6.789 1.00 0.00 C ATOM 994 C SER A 76 -23.941 1.806 6.900 1.00 0.00 C ATOM 995 O SER A 76 -24.063 2.404 7.969 1.00 0.00 O ATOM 996 CB SER A 76 -23.014 -0.168 8.122 1.00 0.00 C ATOM 997 OG SER A 76 -22.817 -1.557 7.922 1.00 0.00 O ATOM 0 H SER A 76 -21.155 1.434 7.122 1.00 0.00 H new ATOM 0 HA SER A 76 -23.445 -0.077 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.216 0.229 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.951 -0.003 8.654 1.00 0.00 H new ATOM 0 HG SER A 76 -22.802 -2.013 8.789 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.574 2.170 5.790 1.00 0.00 N ATOM 1004 CA ILE A 77 -25.464 3.324 5.765 1.00 0.00 C ATOM 1005 C ILE A 77 -26.733 3.052 6.562 1.00 0.00 C ATOM 1006 O ILE A 77 -26.957 1.937 7.031 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.849 3.711 4.324 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.633 2.578 3.655 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.606 4.053 3.519 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.513 3.044 2.516 1.00 0.00 C ATOM 0 H ILE A 77 -24.487 1.683 4.898 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.920 4.152 6.219 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.489 4.593 4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.931 1.833 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.252 2.084 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.894 4.324 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -24.089 4.891 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.942 3.189 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.038 2.190 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.239 3.767 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.897 3.512 1.748 1.00 0.00 H new ATOM 1022 N SER A 78 -27.561 4.080 6.712 1.00 0.00 N ATOM 1023 CA SER A 78 -28.809 3.950 7.453 1.00 0.00 C ATOM 1024 C SER A 78 -29.972 3.674 6.512 1.00 0.00 C ATOM 1025 O SER A 78 -30.065 4.260 5.433 1.00 0.00 O ATOM 1026 CB SER A 78 -29.081 5.220 8.261 1.00 0.00 C ATOM 1027 OG SER A 78 -27.921 5.643 8.957 1.00 0.00 O ATOM 0 H SER A 78 -27.391 5.011 6.331 1.00 0.00 H new ATOM 0 HA SER A 78 -28.711 3.107 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 78 -29.418 6.014 7.594 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.888 5.037 8.971 1.00 0.00 H new ATOM 0 HG SER A 78 -28.122 6.457 9.464 1.00 0.00 H new ATOM 1033 N ASN A 79 -30.854 2.772 6.924 1.00 0.00 N ATOM 1034 CA ASN A 79 -32.015 2.419 6.122 1.00 0.00 C ATOM 1035 C ASN A 79 -31.594 1.856 4.771 1.00 0.00 C ATOM 1036 O ASN A 79 -32.318 1.981 3.783 1.00 0.00 O ATOM 1037 CB ASN A 79 -32.912 3.641 5.921 1.00 0.00 C ATOM 1038 CG ASN A 79 -32.986 4.517 7.154 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -33.549 4.124 8.176 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -32.420 5.712 7.064 1.00 0.00 N ATOM 0 H ASN A 79 -30.786 2.272 7.810 1.00 0.00 H new ATOM 0 HA ASN A 79 -32.573 1.650 6.656 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -32.536 4.229 5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -33.916 3.311 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -32.440 6.347 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.964 5.996 6.197 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.423 1.230 4.734 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.935 0.657 3.493 1.00 0.00 C ATOM 1049 C GLY A 80 -28.867 -0.397 3.703 1.00 0.00 C ATOM 1050 O GLY A 80 -28.619 -0.828 4.830 1.00 0.00 O ATOM 0 H GLY A 80 -29.805 1.109 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.771 0.215 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.533 1.453 2.866 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.245 -0.822 2.608 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.210 -1.844 2.661 1.00 0.00 C ATOM 1056 C ARG A 81 -26.422 -1.886 1.358 1.00 0.00 C ATOM 1057 O ARG A 81 -26.635 -1.071 0.461 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.831 -3.213 2.934 1.00 0.00 C ATOM 1059 CG ARG A 81 -29.185 -3.411 2.276 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.917 -4.597 2.875 1.00 0.00 C ATOM 1061 NE ARG A 81 -29.977 -5.726 1.951 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.775 -5.766 0.888 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.770 -6.827 0.093 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.577 -4.745 0.619 1.00 0.00 N ATOM 0 H ARG A 81 -28.442 -0.472 1.670 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.527 -1.592 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.149 -3.988 2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.937 -3.346 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.786 -2.510 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -29.053 -3.565 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.417 -4.906 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.929 -4.298 3.148 1.00 0.00 H new ATOM 0 HE ARG A 81 -29.373 -6.528 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -30.154 -7.614 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -31.383 -6.856 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.583 -3.927 1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -32.188 -4.778 -0.197 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.519 -2.850 1.262 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.696 -3.016 0.071 1.00 0.00 C ATOM 1080 C HIS A 82 -25.044 -4.311 -0.654 1.00 0.00 C ATOM 1081 O HIS A 82 -25.766 -5.155 -0.124 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.214 -3.016 0.449 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.874 -3.992 1.534 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -23.149 -3.763 2.867 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.284 -5.209 1.477 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.738 -4.796 3.582 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.210 -5.685 2.763 1.00 0.00 N ATOM 0 H HIS A 82 -25.336 -3.533 1.998 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.896 -2.180 -0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.621 -3.248 -0.436 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.929 -2.014 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.936 -5.712 0.587 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.820 -4.895 4.654 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.811 -6.582 3.040 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.524 -4.461 -1.866 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.772 -5.660 -2.661 1.00 0.00 C ATOM 1098 C ASN A 83 -23.477 -6.411 -2.923 1.00 0.00 C ATOM 1099 O ASN A 83 -23.045 -6.539 -4.069 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.416 -5.302 -4.001 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.348 -4.110 -3.910 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.072 -3.945 -2.928 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.331 -3.267 -4.936 1.00 0.00 N ATOM 0 H ASN A 83 -23.928 -3.769 -2.321 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.451 -6.294 -2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.633 -5.089 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.971 -6.163 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.934 -2.444 -4.930 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.715 -3.442 -5.730 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.853 -6.902 -1.863 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.611 -7.622 -2.024 1.00 0.00 C ATOM 1112 C GLY A 84 -21.822 -9.116 -2.173 1.00 0.00 C ATOM 1113 O GLY A 84 -22.801 -9.664 -1.667 1.00 0.00 O ATOM 0 H GLY A 84 -23.183 -6.815 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.086 -7.243 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.971 -7.433 -1.163 1.00 0.00 H new ATOM 1117 N TYR A 85 -20.905 -9.774 -2.874 1.00 0.00 N ATOM 1118 CA TYR A 85 -20.994 -11.212 -3.090 1.00 0.00 C ATOM 1119 C TYR A 85 -19.929 -11.942 -2.285 1.00 0.00 C ATOM 1120 O TYR A 85 -20.122 -13.080 -1.858 1.00 0.00 O ATOM 1121 CB TYR A 85 -20.838 -11.544 -4.578 1.00 0.00 C ATOM 1122 CG TYR A 85 -21.331 -10.457 -5.509 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -20.654 -10.165 -6.686 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -22.472 -9.723 -5.209 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -21.099 -9.173 -7.539 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -22.924 -8.729 -6.057 1.00 0.00 C ATOM 1127 CZ TYR A 85 -22.234 -8.458 -7.220 1.00 0.00 C ATOM 1128 OH TYR A 85 -22.681 -7.470 -8.066 1.00 0.00 O ATOM 0 H TYR A 85 -20.091 -9.333 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 85 -21.977 -11.543 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -19.786 -11.737 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -21.380 -12.465 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.764 -10.723 -6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -23.014 -9.932 -4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -20.561 -8.959 -8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -23.813 -8.168 -5.810 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.492 -7.064 -7.695 1.00 0.00 H new ATOM 1138 N GLU A 86 -18.806 -11.269 -2.077 1.00 0.00 N ATOM 1139 CA GLU A 86 -17.697 -11.836 -1.329 1.00 0.00 C ATOM 1140 C GLU A 86 -17.737 -11.384 0.127 1.00 0.00 C ATOM 1141 O GLU A 86 -18.696 -10.749 0.564 1.00 0.00 O ATOM 1142 CB GLU A 86 -16.373 -11.417 -1.969 1.00 0.00 C ATOM 1143 CG GLU A 86 -15.808 -12.453 -2.925 1.00 0.00 C ATOM 1144 CD GLU A 86 -14.444 -12.958 -2.497 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -13.472 -12.178 -2.571 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -14.349 -14.134 -2.087 1.00 0.00 O ATOM 0 H GLU A 86 -18.640 -10.323 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.783 -12.922 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.519 -10.480 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.643 -11.224 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.498 -13.294 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.734 -12.020 -3.923 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.687 -11.711 0.872 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.600 -11.330 2.276 1.00 0.00 C ATOM 1155 C ASP A 87 -15.614 -10.184 2.469 1.00 0.00 C ATOM 1156 O ASP A 87 -15.712 -9.423 3.432 1.00 0.00 O ATOM 1157 CB ASP A 87 -16.182 -12.530 3.128 1.00 0.00 C ATOM 1158 CG ASP A 87 -17.091 -12.734 4.324 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.903 -12.031 5.339 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -17.993 -13.594 4.245 1.00 0.00 O ATOM 0 H ASP A 87 -15.885 -12.239 0.527 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.586 -10.993 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.189 -13.429 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -15.158 -12.388 3.473 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.672 -10.062 1.543 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.668 -9.010 1.609 1.00 0.00 C ATOM 1167 C PHE A 88 -13.498 -8.333 0.253 1.00 0.00 C ATOM 1168 O PHE A 88 -14.093 -8.749 -0.740 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.332 -9.588 2.076 1.00 0.00 C ATOM 1170 CG PHE A 88 -12.147 -9.544 3.561 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -12.738 -10.494 4.377 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.377 -8.553 4.140 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -12.564 -10.453 5.746 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.199 -8.505 5.506 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.792 -9.457 6.312 1.00 0.00 C ATOM 0 H PHE A 88 -14.583 -10.680 0.736 1.00 0.00 H new ATOM 0 HA PHE A 88 -14.005 -8.261 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.255 -10.622 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.521 -9.037 1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.341 -11.275 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.909 -7.807 3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.031 -11.198 6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.597 -7.724 5.946 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.652 -9.423 7.382 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.683 -7.284 0.222 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.428 -6.544 -1.008 1.00 0.00 C ATOM 1187 C TYR A 89 -11.000 -6.008 -1.021 1.00 0.00 C ATOM 1188 O TYR A 89 -10.330 -5.987 0.009 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.426 -5.392 -1.152 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.869 -5.842 -1.191 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.525 -6.246 -0.035 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.575 -5.864 -2.387 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.845 -6.655 -0.069 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.894 -6.273 -2.429 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.524 -6.668 -1.268 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.836 -7.077 -1.307 1.00 0.00 O ATOM 0 H TYR A 89 -12.186 -6.926 1.038 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.553 -7.223 -1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.292 -4.700 -0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.202 -4.840 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.995 -6.240 0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.085 -5.556 -3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.342 -6.963 0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.429 -6.283 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.058 -7.543 -0.474 1.00 0.00 H new ATOM 1206 N THR A 90 -10.532 -5.584 -2.188 1.00 0.00 N ATOM 1207 CA THR A 90 -9.173 -5.072 -2.313 1.00 0.00 C ATOM 1208 C THR A 90 -9.147 -3.718 -3.012 1.00 0.00 C ATOM 1209 O THR A 90 -10.165 -3.246 -3.518 1.00 0.00 O ATOM 1210 CB THR A 90 -8.302 -6.072 -3.073 1.00 0.00 C ATOM 1211 OG1 THR A 90 -8.964 -6.530 -4.239 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.930 -7.282 -2.247 1.00 0.00 C ATOM 0 H THR A 90 -11.068 -5.584 -3.056 1.00 0.00 H new ATOM 0 HA THR A 90 -8.774 -4.937 -1.308 1.00 0.00 H new ATOM 0 HB THR A 90 -7.391 -5.531 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.390 -7.168 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.312 -7.953 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.374 -6.964 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.836 -7.803 -1.936 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.973 -3.096 -3.027 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.801 -1.797 -3.655 1.00 0.00 C ATOM 1222 C ASP A 91 -8.174 -1.853 -5.125 1.00 0.00 C ATOM 1223 O ASP A 91 -7.377 -2.259 -5.971 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.362 -1.312 -3.498 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.982 -1.091 -2.047 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.447 -0.008 -1.732 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -6.221 -2.001 -1.226 1.00 0.00 O ATOM 0 H ASP A 91 -7.124 -3.475 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.466 -1.092 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.685 -2.042 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.233 -0.381 -4.050 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.397 -1.448 -5.410 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.875 -1.432 -6.776 1.00 0.00 C ATOM 1234 C GLY A 92 -11.183 -2.181 -6.958 1.00 0.00 C ATOM 1235 O GLY A 92 -11.574 -2.487 -8.084 1.00 0.00 O ATOM 0 H GLY A 92 -10.073 -1.128 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.007 -0.399 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.118 -1.872 -7.425 1.00 0.00 H new ATOM 1239 N SER A 93 -11.866 -2.477 -5.855 1.00 0.00 N ATOM 1240 CA SER A 93 -13.144 -3.177 -5.920 1.00 0.00 C ATOM 1241 C SER A 93 -14.297 -2.186 -5.831 1.00 0.00 C ATOM 1242 O SER A 93 -14.128 -1.068 -5.346 1.00 0.00 O ATOM 1243 CB SER A 93 -13.253 -4.209 -4.796 1.00 0.00 C ATOM 1244 OG SER A 93 -11.972 -4.624 -4.355 1.00 0.00 O ATOM 0 H SER A 93 -11.557 -2.244 -4.911 1.00 0.00 H new ATOM 0 HA SER A 93 -13.199 -3.697 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.808 -3.783 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.818 -5.073 -5.146 1.00 0.00 H new ATOM 0 HG SER A 93 -11.558 -3.907 -3.831 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.466 -2.593 -6.310 1.00 0.00 N ATOM 1251 CA VAL A 94 -16.634 -1.725 -6.287 1.00 0.00 C ATOM 1252 C VAL A 94 -17.866 -2.469 -5.776 1.00 0.00 C ATOM 1253 O VAL A 94 -17.947 -3.694 -5.857 1.00 0.00 O ATOM 1254 CB VAL A 94 -16.922 -1.138 -7.688 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -15.773 -0.247 -8.131 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.235 -0.363 -7.706 1.00 0.00 C ATOM 0 H VAL A 94 -15.629 -3.514 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.412 -0.906 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.016 -1.968 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.988 0.160 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.652 0.570 -7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -14.854 -0.832 -8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.408 0.037 -8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.054 -1.029 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.183 0.458 -6.991 1.00 0.00 H new ATOM 1266 N VAL A 95 -18.821 -1.708 -5.254 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.058 -2.273 -4.734 1.00 0.00 C ATOM 1268 C VAL A 95 -21.207 -1.287 -4.895 1.00 0.00 C ATOM 1269 O VAL A 95 -21.001 -0.074 -4.882 1.00 0.00 O ATOM 1270 CB VAL A 95 -19.930 -2.641 -3.244 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.183 -3.348 -2.753 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.701 -3.502 -3.008 1.00 0.00 C ATOM 0 H VAL A 95 -18.760 -0.692 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.260 -3.178 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.816 -1.718 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.070 -3.598 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.044 -2.692 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.335 -4.261 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.629 -3.751 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.782 -4.419 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.809 -2.955 -3.314 1.00 0.00 H new ATOM 1282 N THR A 96 -22.416 -1.811 -5.041 1.00 0.00 N ATOM 1283 CA THR A 96 -23.593 -0.968 -5.184 1.00 0.00 C ATOM 1284 C THR A 96 -24.444 -1.021 -3.923 1.00 0.00 C ATOM 1285 O THR A 96 -24.690 -2.092 -3.370 1.00 0.00 O ATOM 1286 CB THR A 96 -24.418 -1.393 -6.399 1.00 0.00 C ATOM 1287 OG1 THR A 96 -23.960 -2.633 -6.908 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.377 -0.386 -7.529 1.00 0.00 C ATOM 0 H THR A 96 -22.607 -2.813 -5.063 1.00 0.00 H new ATOM 0 HA THR A 96 -23.260 0.059 -5.336 1.00 0.00 H new ATOM 0 HB THR A 96 -25.444 -1.471 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 96 -24.502 -2.888 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 96 -24.982 -0.747 -8.360 1.00 0.00 H new ATOM 0 HG22 THR A 96 -24.772 0.568 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.347 -0.253 -7.861 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.867 0.146 -3.459 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.675 0.242 -2.253 1.00 0.00 C ATOM 1298 C TYR A 97 -27.158 0.242 -2.588 1.00 0.00 C ATOM 1299 O TYR A 97 -27.558 0.612 -3.691 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.319 1.513 -1.488 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.178 1.339 -0.517 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -22.947 0.854 -0.941 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.329 1.670 0.822 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.903 0.698 -0.056 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.287 1.516 1.713 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.076 1.033 1.269 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.039 0.874 2.155 1.00 0.00 O ATOM 0 H TYR A 97 -24.663 1.042 -3.901 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.463 -0.628 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.060 2.295 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.198 1.857 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -22.807 0.595 -1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.276 2.054 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -20.953 0.315 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.420 1.773 2.754 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.276 0.192 2.817 1.00 0.00 H new ATOM 1317 N SER A 98 -27.970 -0.168 -1.623 1.00 0.00 N ATOM 1318 CA SER A 98 -29.415 -0.213 -1.813 1.00 0.00 C ATOM 1319 C SER A 98 -30.149 -0.055 -0.487 1.00 0.00 C ATOM 1320 O SER A 98 -29.696 -0.546 0.548 1.00 0.00 O ATOM 1321 CB SER A 98 -29.821 -1.527 -2.478 1.00 0.00 C ATOM 1322 OG SER A 98 -29.885 -2.581 -1.533 1.00 0.00 O ATOM 0 H SER A 98 -27.655 -0.474 -0.702 1.00 0.00 H new ATOM 0 HA SER A 98 -29.694 0.618 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 98 -30.791 -1.409 -2.961 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.104 -1.779 -3.260 1.00 0.00 H new ATOM 0 HG SER A 98 -30.149 -3.410 -1.985 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.290 0.625 -0.527 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.087 0.850 0.673 1.00 0.00 C ATOM 1330 C CYS A 99 -32.789 -0.430 1.119 1.00 0.00 C ATOM 1331 O CYS A 99 -32.978 -1.354 0.328 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.114 1.954 0.428 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.383 3.546 -0.074 1.00 0.00 S ATOM 0 H CYS A 99 -31.683 1.030 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.412 1.161 1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.809 1.625 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.696 2.103 1.337 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.174 -0.476 2.393 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.834 -1.650 2.953 1.00 0.00 C ATOM 1340 C ASN A 100 -35.347 -1.603 2.740 1.00 0.00 C ATOM 1341 O ASN A 100 -35.895 -2.379 1.957 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.523 -1.764 4.448 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.049 -1.581 4.750 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.189 -2.093 4.034 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.750 -0.848 5.816 1.00 0.00 N ATOM 0 H ASN A 100 -33.039 0.287 3.056 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.449 -2.526 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.098 -1.016 4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -33.846 -2.740 4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.775 -0.691 6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.496 -0.442 6.381 1.00 0.00 H new ATOM 1352 N SER A 101 -36.018 -0.708 3.460 1.00 0.00 N ATOM 1353 CA SER A 101 -37.470 -0.586 3.373 1.00 0.00 C ATOM 1354 C SER A 101 -37.908 -0.044 2.016 1.00 0.00 C ATOM 1355 O SER A 101 -39.055 -0.225 1.607 1.00 0.00 O ATOM 1356 CB SER A 101 -37.990 0.325 4.486 1.00 0.00 C ATOM 1357 OG SER A 101 -39.390 0.515 4.377 1.00 0.00 O ATOM 0 H SER A 101 -35.579 -0.056 4.110 1.00 0.00 H new ATOM 0 HA SER A 101 -37.893 -1.584 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.753 -0.110 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.484 1.289 4.437 1.00 0.00 H new ATOM 0 HG SER A 101 -39.698 1.100 5.101 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.997 0.633 1.327 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.320 1.193 0.028 1.00 0.00 C ATOM 1365 C GLY A 102 -37.072 2.688 -0.042 1.00 0.00 C ATOM 1366 O GLY A 102 -37.773 3.408 -0.753 1.00 0.00 O ATOM 0 H GLY A 102 -36.043 0.804 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.725 0.694 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.367 0.991 -0.200 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.067 3.152 0.691 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.714 4.562 0.706 1.00 0.00 C ATOM 1372 C TYR A 103 -35.115 4.971 -0.635 1.00 0.00 C ATOM 1373 O TYR A 103 -35.129 4.198 -1.593 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.721 4.836 1.840 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.377 5.038 3.188 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.788 6.300 3.602 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -35.582 3.967 4.048 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -36.386 6.486 4.834 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.178 4.146 5.282 1.00 0.00 C ATOM 1380 CZ TYR A 103 -36.579 5.406 5.669 1.00 0.00 C ATOM 1381 OH TYR A 103 -37.173 5.588 6.897 1.00 0.00 O ATOM 0 H TYR A 103 -35.480 2.566 1.285 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.615 5.152 0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.022 4.003 1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.137 5.723 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.638 7.148 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.270 2.978 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.701 7.472 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -36.329 3.303 5.940 1.00 0.00 H new ATOM 0 HH TYR A 103 -37.236 4.727 7.361 1.00 0.00 H new ATOM 1391 N SER A 104 -34.596 6.189 -0.702 1.00 0.00 N ATOM 1392 CA SER A 104 -34.005 6.698 -1.930 1.00 0.00 C ATOM 1393 C SER A 104 -32.486 6.763 -1.824 1.00 0.00 C ATOM 1394 O SER A 104 -31.934 7.641 -1.160 1.00 0.00 O ATOM 1395 CB SER A 104 -34.563 8.085 -2.254 1.00 0.00 C ATOM 1396 OG SER A 104 -33.833 9.100 -1.585 1.00 0.00 O ATOM 0 H SER A 104 -34.573 6.843 0.081 1.00 0.00 H new ATOM 0 HA SER A 104 -34.264 6.010 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.523 8.254 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.612 8.135 -1.962 1.00 0.00 H new ATOM 0 HG SER A 104 -33.789 8.894 -0.628 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.817 5.834 -2.501 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.360 5.787 -2.520 1.00 0.00 C ATOM 1404 C LEU A 105 -29.780 7.170 -2.788 1.00 0.00 C ATOM 1405 O LEU A 105 -29.901 7.705 -3.890 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.887 4.808 -3.592 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.812 3.817 -3.147 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.174 3.182 -1.814 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.453 4.498 -3.069 1.00 0.00 C ATOM 0 H LEU A 105 -32.266 5.099 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.011 5.450 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.749 4.246 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.503 5.379 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.755 3.024 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.392 2.481 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.269 3.958 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.121 2.650 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.702 3.775 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.186 4.891 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.497 5.316 -2.350 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.184 7.754 -1.762 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.601 9.078 -1.871 1.00 0.00 C ATOM 1423 C ILE A 106 -27.195 8.999 -2.440 1.00 0.00 C ATOM 1424 O ILE A 106 -26.552 7.955 -2.374 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.560 9.769 -0.501 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -29.972 9.876 0.074 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.916 11.141 -0.608 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.869 10.821 -0.694 1.00 0.00 C ATOM 0 H ILE A 106 -29.092 7.328 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.227 9.663 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 106 -27.953 9.167 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.427 8.885 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.909 10.209 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.898 11.612 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.897 11.036 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.491 11.760 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.854 10.846 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.437 11.822 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.963 10.477 -1.724 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.721 10.103 -2.999 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.399 10.112 -3.590 1.00 0.00 C ATOM 1442 C GLY A 107 -25.277 9.102 -4.707 1.00 0.00 C ATOM 1443 O GLY A 107 -26.055 9.119 -5.661 1.00 0.00 O ATOM 0 H GLY A 107 -27.225 10.988 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.180 11.108 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.656 9.896 -2.822 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.315 8.204 -4.576 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.102 7.160 -5.571 1.00 0.00 C ATOM 1449 C ASN A 108 -24.111 5.782 -4.919 1.00 0.00 C ATOM 1450 O ASN A 108 -23.469 5.567 -3.891 1.00 0.00 O ATOM 1451 CB ASN A 108 -22.777 7.377 -6.304 1.00 0.00 C ATOM 1452 CG ASN A 108 -22.474 8.843 -6.541 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.744 9.379 -7.616 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -21.910 9.501 -5.535 1.00 0.00 N ATOM 0 H ASN A 108 -23.666 8.175 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 108 -24.918 7.212 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -21.968 6.932 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -22.806 6.857 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -21.683 10.490 -5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -21.703 9.017 -4.661 1.00 0.00 H new ATOM 1461 N SER A 109 -24.847 4.853 -5.518 1.00 0.00 N ATOM 1462 CA SER A 109 -24.931 3.497 -5.004 1.00 0.00 C ATOM 1463 C SER A 109 -23.581 2.800 -5.121 1.00 0.00 C ATOM 1464 O SER A 109 -23.224 1.967 -4.287 1.00 0.00 O ATOM 1465 CB SER A 109 -26.008 2.720 -5.763 1.00 0.00 C ATOM 1466 OG SER A 109 -25.450 1.953 -6.816 1.00 0.00 O ATOM 0 H SER A 109 -25.395 5.018 -6.363 1.00 0.00 H new ATOM 0 HA SER A 109 -25.204 3.533 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.538 2.062 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.743 3.416 -6.168 1.00 0.00 H new ATOM 0 HG SER A 109 -26.161 1.455 -7.270 1.00 0.00 H new ATOM 1472 N GLY A 110 -22.825 3.169 -6.147 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.518 2.582 -6.355 1.00 0.00 C ATOM 1474 C GLY A 110 -20.489 3.088 -5.362 1.00 0.00 C ATOM 1475 O GLY A 110 -20.436 4.282 -5.066 1.00 0.00 O ATOM 0 H GLY A 110 -23.096 3.867 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.593 1.498 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.181 2.804 -7.368 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.676 2.176 -4.841 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.631 2.532 -3.887 1.00 0.00 C ATOM 1481 C VAL A 111 -17.283 2.005 -4.362 1.00 0.00 C ATOM 1482 O VAL A 111 -17.223 1.029 -5.104 1.00 0.00 O ATOM 1483 CB VAL A 111 -18.927 1.977 -2.484 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.108 2.712 -1.431 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.412 2.064 -2.171 1.00 0.00 C ATOM 0 H VAL A 111 -19.720 1.182 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.604 3.620 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.639 0.926 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.332 2.304 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.046 2.586 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.359 3.773 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.598 1.666 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.732 3.105 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -20.973 1.484 -2.904 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.205 2.660 -3.953 1.00 0.00 N ATOM 1496 CA LEU A 112 -14.872 2.249 -4.375 1.00 0.00 C ATOM 1497 C LEU A 112 -14.067 1.680 -3.214 1.00 0.00 C ATOM 1498 O LEU A 112 -13.766 2.382 -2.250 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.118 3.432 -4.987 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.626 3.188 -5.244 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -11.920 4.496 -5.564 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.435 2.184 -6.371 1.00 0.00 C ATOM 0 H LEU A 112 -16.226 3.471 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.994 1.466 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.595 3.698 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.221 4.291 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.183 2.773 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.862 4.304 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.364 4.941 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.027 5.182 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.370 2.024 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.906 1.239 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.892 2.569 -7.283 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.686 0.415 -3.336 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.857 -0.228 -2.332 1.00 0.00 C ATOM 1516 C CYS A 113 -11.390 0.061 -2.619 1.00 0.00 C ATOM 1517 O CYS A 113 -10.778 -0.580 -3.475 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.101 -1.734 -2.330 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.922 -2.688 -1.319 1.00 0.00 S ATOM 0 H CYS A 113 -13.939 -0.184 -4.122 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.117 0.168 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.110 -1.925 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.058 -2.098 -3.357 1.00 0.00 H new ATOM 1524 N SER A 114 -10.848 1.055 -1.929 1.00 0.00 N ATOM 1525 CA SER A 114 -9.465 1.464 -2.138 1.00 0.00 C ATOM 1526 C SER A 114 -8.721 1.622 -0.815 1.00 0.00 C ATOM 1527 O SER A 114 -9.316 1.949 0.211 1.00 0.00 O ATOM 1528 CB SER A 114 -9.420 2.781 -2.916 1.00 0.00 C ATOM 1529 OG SER A 114 -10.554 3.581 -2.632 1.00 0.00 O ATOM 0 H SER A 114 -11.345 1.594 -1.219 1.00 0.00 H new ATOM 0 HA SER A 114 -8.970 0.681 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.512 3.327 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.376 2.574 -3.985 1.00 0.00 H new ATOM 0 HG SER A 114 -10.426 4.476 -3.010 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.411 1.400 -0.858 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.589 1.534 0.333 1.00 0.00 C ATOM 1537 C GLY A 115 -7.177 0.821 1.534 1.00 0.00 C ATOM 1538 O GLY A 115 -6.972 1.239 2.674 1.00 0.00 O ATOM 0 H GLY A 115 -6.902 1.129 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.595 1.135 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.467 2.591 0.568 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.914 -0.255 1.280 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.527 -1.002 2.361 1.00 0.00 C ATOM 1544 C GLY A 116 -9.806 -0.360 2.874 1.00 0.00 C ATOM 1545 O GLY A 116 -10.484 -0.923 3.734 1.00 0.00 O ATOM 0 H GLY A 116 -8.097 -0.622 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.746 -2.013 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.816 -1.091 3.183 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.134 0.823 2.357 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.334 1.533 2.776 1.00 0.00 C ATOM 1551 C GLU A 117 -12.257 1.786 1.590 1.00 0.00 C ATOM 1552 O GLU A 117 -11.910 1.496 0.445 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.959 2.863 3.434 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.070 2.709 4.657 1.00 0.00 C ATOM 1555 CD GLU A 117 -9.862 4.017 5.396 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.293 5.067 4.876 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -9.267 3.990 6.494 1.00 0.00 O ATOM 0 H GLU A 117 -9.584 1.307 1.648 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.861 0.911 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.450 3.490 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.871 3.386 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.514 1.980 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.102 2.311 4.350 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.430 2.339 1.873 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.409 2.631 0.839 1.00 0.00 C ATOM 1566 C TRP A 118 -14.589 4.135 0.670 1.00 0.00 C ATOM 1567 O TRP A 118 -14.389 4.903 1.611 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.742 1.981 1.193 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.671 0.488 1.248 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.316 -0.274 2.323 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.946 -0.424 0.180 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.361 -1.605 1.991 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.745 -1.723 0.681 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.348 -0.270 -1.150 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.931 -2.859 -0.099 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.532 -1.400 -1.925 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.325 -2.681 -1.396 1.00 0.00 C ATOM 0 H TRP A 118 -13.725 2.594 2.815 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.047 2.223 -0.105 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.078 2.359 2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.490 2.276 0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.040 0.113 3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.144 -2.380 2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.512 0.714 -1.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.770 -3.847 0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.840 -1.294 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.480 -3.545 -2.025 1.00 0.00 H new ATOM 1588 N SER A 119 -14.968 4.551 -0.534 1.00 0.00 N ATOM 1589 CA SER A 119 -15.160 5.967 -0.820 1.00 0.00 C ATOM 1590 C SER A 119 -16.447 6.209 -1.603 1.00 0.00 C ATOM 1591 O SER A 119 -16.859 5.383 -2.417 1.00 0.00 O ATOM 1592 CB SER A 119 -13.966 6.511 -1.606 1.00 0.00 C ATOM 1593 OG SER A 119 -13.117 5.462 -2.039 1.00 0.00 O ATOM 0 H SER A 119 -15.147 3.931 -1.324 1.00 0.00 H new ATOM 0 HA SER A 119 -15.239 6.491 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.321 7.074 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.402 7.205 -0.982 1.00 0.00 H new ATOM 0 HG SER A 119 -12.363 5.837 -2.540 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.070 7.356 -1.351 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.294 7.741 -2.044 1.00 0.00 C ATOM 1601 C ASP A 120 -19.489 6.881 -1.626 1.00 0.00 C ATOM 1602 O ASP A 120 -20.273 6.447 -2.471 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.082 7.647 -3.555 1.00 0.00 C ATOM 1604 CG ASP A 120 -18.302 8.974 -4.254 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -18.099 10.025 -3.610 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -18.677 8.962 -5.446 1.00 0.00 O ATOM 0 H ASP A 120 -16.744 8.039 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.523 8.770 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.069 7.297 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.764 6.904 -3.969 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.676 6.659 -0.312 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.807 5.881 0.199 1.00 0.00 C ATOM 1613 C PRO A 121 -22.110 6.680 0.147 1.00 0.00 C ATOM 1614 O PRO A 121 -22.121 7.876 0.436 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.408 5.594 1.645 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.540 6.743 2.026 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.807 7.149 0.774 1.00 0.00 C ATOM 0 HA PRO A 121 -20.995 4.981 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.282 5.525 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.874 4.648 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.136 7.569 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.840 6.459 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.671 8.229 0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.815 6.700 0.727 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.226 6.035 -0.234 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.516 6.703 -0.355 1.00 0.00 C ATOM 1627 C PRO A 122 -25.325 6.697 0.929 1.00 0.00 C ATOM 1628 O PRO A 122 -24.866 6.240 1.975 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.236 5.872 -1.412 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.632 4.505 -1.334 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.310 4.618 -0.616 1.00 0.00 C ATOM 0 HA PRO A 122 -24.390 7.757 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.308 5.838 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.104 6.302 -2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.297 3.825 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.489 4.094 -2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.275 3.967 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.480 4.330 -1.262 1.00 0.00 H new ATOM 1639 N THR A 123 -26.548 7.196 0.819 1.00 0.00 N ATOM 1640 CA THR A 123 -27.477 7.225 1.941 1.00 0.00 C ATOM 1641 C THR A 123 -28.835 6.696 1.501 1.00 0.00 C ATOM 1642 O THR A 123 -28.978 6.185 0.390 1.00 0.00 O ATOM 1643 CB THR A 123 -27.621 8.645 2.494 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.664 9.511 1.908 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.456 8.723 3.996 1.00 0.00 C ATOM 0 H THR A 123 -26.923 7.590 -0.044 1.00 0.00 H new ATOM 0 HA THR A 123 -27.081 6.589 2.733 1.00 0.00 H new ATOM 0 HB THR A 123 -28.636 8.952 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.773 10.414 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.570 9.757 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.214 8.105 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.465 8.363 4.272 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.829 6.819 2.368 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.166 6.344 2.047 1.00 0.00 C ATOM 1655 C CYS A 124 -32.230 7.227 2.679 1.00 0.00 C ATOM 1656 O CYS A 124 -32.617 7.028 3.830 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.337 4.899 2.510 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.699 3.668 1.329 1.00 0.00 S ATOM 0 H CYS A 124 -29.736 7.240 3.292 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.289 6.389 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.827 4.771 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.395 4.706 2.685 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.704 8.202 1.914 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.730 9.114 2.391 1.00 0.00 C ATOM 1665 C GLN A 125 -34.978 9.027 1.525 1.00 0.00 C ATOM 1666 O GLN A 125 -34.969 8.405 0.462 1.00 0.00 O ATOM 1667 CB GLN A 125 -33.203 10.550 2.403 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.617 10.966 3.741 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.889 12.294 3.672 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -32.506 13.357 3.727 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -30.567 12.238 3.552 1.00 0.00 N ATOM 0 H GLN A 125 -32.392 8.380 0.959 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.993 8.824 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.440 10.656 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -34.015 11.229 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -33.417 11.032 4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -31.928 10.196 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -30.097 11.334 3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -30.023 13.099 3.502 1.00 0.00 H new ATOM 1680 N ILE A 126 -36.048 9.651 1.991 1.00 0.00 N ATOM 1681 CA ILE A 126 -37.312 9.650 1.267 1.00 0.00 C ATOM 1682 C ILE A 126 -37.443 10.896 0.397 1.00 0.00 C ATOM 1683 O ILE A 126 -38.186 11.821 0.726 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.510 9.571 2.233 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -38.429 8.295 3.070 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.825 9.625 1.468 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -38.668 7.032 2.271 1.00 0.00 C ATOM 0 H ILE A 126 -36.067 10.167 2.871 1.00 0.00 H new ATOM 0 HA ILE A 126 -37.317 8.766 0.629 1.00 0.00 H new ATOM 0 HB ILE A 126 -38.472 10.431 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.446 8.239 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -39.162 8.351 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.657 9.568 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.884 10.560 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.877 8.786 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -38.595 6.166 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.662 7.066 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.919 6.953 1.483 1.00 0.00 H new TER 1699 ILE A 126