USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1045 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 145 THR OG1 : rot 150:sc= -0.997! USER MOD Set 1.2: A 147 ASN : amide:sc= -3.69! C(o=-4.7!,f=-14!) USER MOD Set 2.1: A 106 THR OG1 : rot -40:sc= -0.941 USER MOD Set 2.2: A 111 SER OG : rot -67:sc= -3.07! USER MOD Set 3.1: A 45 GLN : amide:sc= -0.184 K(o=-0.42,f=-2.1!) USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= -0.236 USER MOD Set 4.1: A 86 SER OG : rot 52:sc= -1.18! USER MOD Set 4.2: A 87 ASN : amide:sc= -0.166 K(o=-1.3,f=-6.9!) USER MOD Set 5.1: A 51 SER OG : rot -2:sc= -4.14! USER MOD Set 5.2: A 84 THR OG1 : rot 171:sc= -3.33! USER MOD Set 6.1: A 83 SER OG : rot 34:sc= 0.252 USER MOD Set 6.2: A 85 THR OG1 : rot 130:sc= -0.177 USER MOD Set 7.1: A 47 TYR OH : rot 30:sc= -0.0292 USER MOD Set 7.2: A 79 HIS : no HD1:sc= -0.113 K(o=-0.14,f=-1.2) USER MOD Set 8.1: A 16 MET CE :methyl 156:sc= -7.85! (180deg=-8.46!) USER MOD Set 8.2: A 144 THR OG1 : rot -100:sc= -3.43! USER MOD Set 8.3: A 153 LYS NZ :NH3+ -131:sc= -4.28! (180deg=-7.93!) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -6.81! C(o=-11!,f=-6.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 3:sc= -2.4! USER MOD Single : A 13 SER OG : rot -132:sc= 0.135 USER MOD Single : A 17 GLN : amide:sc= -0.0643 K(o=-0.064,f=-1.7!) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= -1.7! (180deg=-1.96!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.3!) USER MOD Single : A 24 ASN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -7.58! C(o=-7.6!,f=-12!) USER MOD Single : A 27 MET CE :methyl -161:sc= -6.19! (180deg=-6.4!) USER MOD Single : A 30 THR OG1 : rot 144:sc= -5.86! USER MOD Single : A 34 ASN : amide:sc=-0.000137 X(o=-0.00014,f=-0.054) USER MOD Single : A 37 SER OG : rot -68:sc= 0.43 USER MOD Single : A 39 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.22) USER MOD Single : A 46 THR OG1 : rot 118:sc= 1.03 USER MOD Single : A 50 ASN : amide:sc= -5.04! C(o=-5!,f=-7.2!) USER MOD Single : A 52 ASN : amide:sc= -0.938! C(o=-0.94!,f=-1.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.97) USER MOD Single : A 66 THR OG1 : rot 180:sc= -2.29 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 60:sc= 0.222 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00817 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00934 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 130:sc=0.000763 USER MOD Single : A 90 GLN : amide:sc= -0.05 K(o=-0.05,f=-1.1) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0176 F(o=-1.5,f=-0.018) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 1:sc= -1.92! USER MOD Single : A 105 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.4) USER MOD Single : A 110 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.2) USER MOD Single : A 112 ASN : amide:sc= -14.8! C(o=-15!,f=-15!) USER MOD Single : A 117 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-3.6!) USER MOD Single : A 122 TYR OH : rot -34:sc= -0.544! USER MOD Single : A 123 ASN : amide:sc= -0.334 K(o=-0.33,f=-3!) USER MOD Single : A 124 ASN : amide:sc= -6.04! C(o=-6!,f=-9.2!) USER MOD Single : A 125 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.21) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 137:sc= 0.0709 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.6!) USER MOD Single : A 139 MET CE :methyl -115:sc= -5.38! (180deg=-8.82!) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0921) USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 TYR OH : rot 42:sc= 0.0228 USER MOD Single : A 152 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 8.451 -3.324 17.333 1.00 0.00 N ATOM 32 CA HIS A 3 7.281 -3.936 16.712 1.00 0.00 C ATOM 33 C HIS A 3 5.994 -3.363 17.295 1.00 0.00 C ATOM 34 O HIS A 3 6.010 -2.708 18.338 1.00 0.00 O ATOM 35 CB HIS A 3 7.312 -5.453 16.905 1.00 0.00 C ATOM 36 CG HIS A 3 6.769 -5.900 18.226 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.560 -5.697 18.802 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.498 -6.651 19.125 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 5.581 -6.323 20.024 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 6.760 -6.891 20.195 1.00 0.00 N flip ATOM 0 HA HIS A 3 7.306 -3.712 15.646 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.738 -5.924 16.107 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.340 -5.802 16.807 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.513 -6.990 18.978 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.765 -6.347 20.731 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.052 -7.425 21.014 1.00 0.00 H new ATOM 49 N CYS A 4 4.879 -3.613 16.615 1.00 0.00 N ATOM 50 CA CYS A 4 3.582 -3.122 17.066 1.00 0.00 C ATOM 51 C CYS A 4 2.546 -4.241 17.066 1.00 0.00 C ATOM 52 O CYS A 4 2.605 -5.155 16.244 1.00 0.00 O ATOM 53 CB CYS A 4 3.110 -1.974 16.172 1.00 0.00 C ATOM 54 SG CYS A 4 4.332 -0.638 15.966 1.00 0.00 S ATOM 0 H CYS A 4 4.848 -4.153 15.750 1.00 0.00 H new ATOM 0 HA CYS A 4 3.695 -2.757 18.087 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.856 -2.374 15.190 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.196 -1.554 16.591 1.00 0.00 H new ATOM 59 N VAL A 5 1.596 -4.160 17.992 1.00 0.00 N ATOM 60 CA VAL A 5 0.546 -5.166 18.099 1.00 0.00 C ATOM 61 C VAL A 5 -0.836 -4.532 17.972 1.00 0.00 C ATOM 62 O VAL A 5 -1.188 -3.631 18.733 1.00 0.00 O ATOM 63 CB VAL A 5 0.628 -5.925 19.436 1.00 0.00 C ATOM 64 CG1 VAL A 5 -0.387 -7.058 19.471 1.00 0.00 C ATOM 65 CG2 VAL A 5 2.036 -6.453 19.665 1.00 0.00 C ATOM 0 H VAL A 5 1.532 -3.408 18.679 1.00 0.00 H new ATOM 0 HA VAL A 5 0.698 -5.870 17.281 1.00 0.00 H new ATOM 0 HB VAL A 5 0.390 -5.231 20.242 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.314 -7.583 20.424 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.391 -6.650 19.357 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.184 -7.754 18.657 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.075 -6.986 20.615 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.306 -7.132 18.856 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.738 -5.619 19.688 1.00 0.00 H new ATOM 75 N THR A 6 -1.613 -5.009 17.005 1.00 0.00 N ATOM 76 CA THR A 6 -2.956 -4.488 16.779 1.00 0.00 C ATOM 77 C THR A 6 -3.937 -5.611 16.460 1.00 0.00 C ATOM 78 O THR A 6 -3.534 -6.746 16.206 1.00 0.00 O ATOM 79 CB THR A 6 -2.975 -3.465 15.627 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.239 -2.792 15.590 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.720 -4.149 14.293 1.00 0.00 C ATOM 0 H THR A 6 -1.336 -5.754 16.366 1.00 0.00 H new ATOM 0 HA THR A 6 -3.261 -3.994 17.701 1.00 0.00 H new ATOM 0 HB THR A 6 -2.182 -2.738 15.802 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.242 -2.142 14.856 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.738 -3.407 13.494 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.745 -4.636 14.314 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.494 -4.895 14.113 1.00 0.00 H new ATOM 89 N ASP A 7 -5.226 -5.286 16.476 1.00 0.00 N ATOM 90 CA ASP A 7 -6.267 -6.266 16.190 1.00 0.00 C ATOM 91 C ASP A 7 -6.645 -7.043 17.446 1.00 0.00 C ATOM 92 O ASP A 7 -7.825 -7.252 17.727 1.00 0.00 O ATOM 93 CB ASP A 7 -5.803 -7.232 15.099 1.00 0.00 C ATOM 94 CG ASP A 7 -6.917 -7.599 14.138 1.00 0.00 C ATOM 95 OD1 ASP A 7 -8.062 -7.155 14.360 1.00 0.00 O ATOM 96 OD2 ASP A 7 -6.643 -8.331 13.164 1.00 0.00 O ATOM 0 H ASP A 7 -5.574 -4.350 16.684 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.148 -5.729 15.839 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.982 -6.780 14.543 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.413 -8.139 15.562 1.00 0.00 H new ATOM 101 N SER A 8 -5.635 -7.467 18.199 1.00 0.00 N ATOM 102 CA SER A 8 -5.857 -8.221 19.427 1.00 0.00 C ATOM 103 C SER A 8 -4.616 -9.023 19.803 1.00 0.00 C ATOM 104 O SER A 8 -4.426 -9.385 20.964 1.00 0.00 O ATOM 105 CB SER A 8 -7.054 -9.160 19.265 1.00 0.00 C ATOM 106 OG SER A 8 -6.850 -10.373 19.968 1.00 0.00 O ATOM 0 H SER A 8 -4.653 -7.301 17.979 1.00 0.00 H new ATOM 0 HA SER A 8 -6.067 -7.511 20.227 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.956 -8.671 19.632 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.214 -9.371 18.208 1.00 0.00 H new ATOM 0 HG SER A 8 -7.630 -10.955 19.850 1.00 0.00 H new ATOM 112 N GLY A 9 -3.773 -9.298 18.812 1.00 0.00 N ATOM 113 CA GLY A 9 -2.561 -10.055 19.058 1.00 0.00 C ATOM 114 C GLY A 9 -1.718 -10.222 17.809 1.00 0.00 C ATOM 115 O GLY A 9 -1.015 -11.221 17.655 1.00 0.00 O ATOM 0 H GLY A 9 -3.909 -9.010 17.843 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.972 -9.553 19.826 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.823 -11.038 19.450 1.00 0.00 H new ATOM 119 N VAL A 10 -1.789 -9.242 16.914 1.00 0.00 N ATOM 120 CA VAL A 10 -1.027 -9.284 15.673 1.00 0.00 C ATOM 121 C VAL A 10 0.175 -8.348 15.735 1.00 0.00 C ATOM 122 O VAL A 10 0.043 -7.138 15.554 1.00 0.00 O ATOM 123 CB VAL A 10 -1.900 -8.901 14.463 1.00 0.00 C ATOM 124 CG1 VAL A 10 -1.449 -9.651 13.219 1.00 0.00 C ATOM 125 CG2 VAL A 10 -3.368 -9.173 14.756 1.00 0.00 C ATOM 0 H VAL A 10 -2.367 -8.409 17.026 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.680 -10.310 15.550 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.782 -7.833 14.277 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.078 -9.367 12.375 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.411 -9.400 12.999 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.534 -10.724 13.390 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.969 -8.896 13.890 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.506 -10.233 14.970 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.682 -8.585 15.618 1.00 0.00 H new ATOM 135 N VAL A 11 1.348 -8.917 15.994 1.00 0.00 N ATOM 136 CA VAL A 11 2.575 -8.134 16.082 1.00 0.00 C ATOM 137 C VAL A 11 3.118 -7.801 14.697 1.00 0.00 C ATOM 138 O VAL A 11 3.101 -8.638 13.794 1.00 0.00 O ATOM 139 CB VAL A 11 3.660 -8.881 16.880 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.777 -7.930 17.282 1.00 0.00 C ATOM 141 CG2 VAL A 11 3.057 -9.555 18.102 1.00 0.00 C ATOM 0 H VAL A 11 1.475 -9.918 16.147 1.00 0.00 H new ATOM 0 HA VAL A 11 2.323 -7.209 16.601 1.00 0.00 H new ATOM 0 HB VAL A 11 4.086 -9.655 16.242 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.534 -8.476 17.845 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.229 -7.501 16.388 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.369 -7.131 17.902 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.839 -10.077 18.653 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.602 -8.802 18.745 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.297 -10.270 17.786 1.00 0.00 H new ATOM 151 N TYR A 12 3.602 -6.574 14.537 1.00 0.00 N ATOM 152 CA TYR A 12 4.154 -6.128 13.263 1.00 0.00 C ATOM 153 C TYR A 12 5.401 -5.278 13.479 1.00 0.00 C ATOM 154 O TYR A 12 5.310 -4.083 13.761 1.00 0.00 O ATOM 155 CB TYR A 12 3.108 -5.331 12.480 1.00 0.00 C ATOM 156 CG TYR A 12 1.923 -6.158 12.035 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.073 -7.179 11.105 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.654 -5.917 12.546 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.992 -7.936 10.696 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.432 -6.671 12.142 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.258 -7.678 11.217 1.00 0.00 C ATOM 162 OH TYR A 12 -1.337 -8.430 10.812 1.00 0.00 O ATOM 0 H TYR A 12 3.623 -5.870 15.275 1.00 0.00 H new ATOM 0 HA TYR A 12 4.433 -7.011 12.687 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.753 -4.507 13.099 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.582 -4.889 11.603 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.051 -7.384 10.695 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.514 -5.128 13.270 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.126 -8.726 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.412 -6.472 12.549 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.036 -9.128 10.193 1.00 0.00 H new ATOM 172 N SER A 13 6.566 -5.903 13.347 1.00 0.00 N ATOM 173 CA SER A 13 7.834 -5.206 13.529 1.00 0.00 C ATOM 174 C SER A 13 7.795 -3.821 12.895 1.00 0.00 C ATOM 175 O SER A 13 6.990 -3.556 12.002 1.00 0.00 O ATOM 176 CB SER A 13 8.980 -6.023 12.928 1.00 0.00 C ATOM 177 OG SER A 13 10.198 -5.301 12.970 1.00 0.00 O ATOM 0 H SER A 13 6.658 -6.892 13.114 1.00 0.00 H new ATOM 0 HA SER A 13 8.002 -5.088 14.600 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.090 -6.959 13.476 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.743 -6.283 11.896 1.00 0.00 H new ATOM 0 HG SER A 13 10.635 -5.346 12.094 1.00 0.00 H new ATOM 183 N VAL A 14 8.672 -2.943 13.367 1.00 0.00 N ATOM 184 CA VAL A 14 8.749 -1.580 12.856 1.00 0.00 C ATOM 185 C VAL A 14 8.826 -1.564 11.336 1.00 0.00 C ATOM 186 O VAL A 14 9.065 -2.595 10.707 1.00 0.00 O ATOM 187 CB VAL A 14 9.967 -0.846 13.441 1.00 0.00 C ATOM 188 CG1 VAL A 14 10.038 0.584 12.930 1.00 0.00 C ATOM 189 CG2 VAL A 14 9.905 -0.879 14.956 1.00 0.00 C ATOM 0 H VAL A 14 9.343 -3.152 14.106 1.00 0.00 H new ATOM 0 HA VAL A 14 7.839 -1.065 13.164 1.00 0.00 H new ATOM 0 HB VAL A 14 10.874 -1.355 13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.908 1.081 13.359 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.122 0.578 11.843 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.134 1.120 13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.770 -0.358 15.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.992 -0.389 15.294 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.909 -1.914 15.298 1.00 0.00 H new ATOM 199 N GLY A 15 8.606 -0.394 10.746 1.00 0.00 N ATOM 200 CA GLY A 15 8.640 -0.284 9.304 1.00 0.00 C ATOM 201 C GLY A 15 7.824 -1.377 8.652 1.00 0.00 C ATOM 202 O GLY A 15 8.168 -1.867 7.577 1.00 0.00 O ATOM 0 H GLY A 15 8.406 0.475 11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.255 0.690 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.672 -0.341 8.957 1.00 0.00 H new ATOM 206 N MET A 16 6.740 -1.767 9.318 1.00 0.00 N ATOM 207 CA MET A 16 5.872 -2.824 8.805 1.00 0.00 C ATOM 208 C MET A 16 4.424 -2.356 8.709 1.00 0.00 C ATOM 209 O MET A 16 3.806 -2.009 9.714 1.00 0.00 O ATOM 210 CB MET A 16 5.959 -4.062 9.700 1.00 0.00 C ATOM 211 CG MET A 16 5.430 -5.326 9.044 1.00 0.00 C ATOM 212 SD MET A 16 5.425 -6.740 10.163 1.00 0.00 S ATOM 213 CE MET A 16 6.530 -7.857 9.303 1.00 0.00 C ATOM 0 H MET A 16 6.443 -1.370 10.209 1.00 0.00 H new ATOM 0 HA MET A 16 6.215 -3.078 7.802 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.999 -4.220 9.987 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.399 -3.877 10.617 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.416 -5.148 8.686 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.040 -5.560 8.171 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.965 -8.558 10.015 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.973 -8.408 8.545 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.325 -7.285 8.825 1.00 0.00 H new ATOM 223 N GLN A 17 3.890 -2.353 7.491 1.00 0.00 N ATOM 224 CA GLN A 17 2.513 -1.929 7.260 1.00 0.00 C ATOM 225 C GLN A 17 1.560 -3.119 7.299 1.00 0.00 C ATOM 226 O GLN A 17 1.985 -4.272 7.223 1.00 0.00 O ATOM 227 CB GLN A 17 2.398 -1.213 5.913 1.00 0.00 C ATOM 228 CG GLN A 17 3.651 -0.447 5.521 1.00 0.00 C ATOM 229 CD GLN A 17 3.664 -0.062 4.055 1.00 0.00 C ATOM 230 OE1 GLN A 17 3.103 -0.761 3.212 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.307 1.058 3.743 1.00 0.00 N ATOM 0 H GLN A 17 4.390 -2.639 6.649 1.00 0.00 H new ATOM 0 HA GLN A 17 2.234 -1.239 8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.174 -1.947 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.556 -0.521 5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.727 0.454 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.528 -1.056 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.759 1.607 4.474 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.349 1.368 2.772 1.00 0.00 H new ATOM 240 N TRP A 18 0.268 -2.829 7.416 1.00 0.00 N ATOM 241 CA TRP A 18 -0.749 -3.873 7.465 1.00 0.00 C ATOM 242 C TRP A 18 -2.148 -3.273 7.377 1.00 0.00 C ATOM 243 O TRP A 18 -2.352 -2.100 7.690 1.00 0.00 O ATOM 244 CB TRP A 18 -0.610 -4.691 8.750 1.00 0.00 C ATOM 245 CG TRP A 18 -1.071 -3.961 9.975 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.354 -3.849 10.428 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.252 -3.242 10.905 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.383 -3.106 11.583 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.106 -2.722 11.896 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.119 -2.988 10.996 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.631 -1.964 12.964 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.588 -2.236 12.056 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.715 -1.732 13.028 1.00 0.00 C ATOM 0 H TRP A 18 -0.099 -1.879 7.479 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.601 -4.530 6.608 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.183 -5.613 8.649 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.434 -4.977 8.878 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.220 -4.281 9.948 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.219 -2.877 12.120 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.800 -3.373 10.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.302 -1.573 13.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.646 -2.033 12.136 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.113 -1.148 13.845 1.00 0.00 H new ATOM 264 N LEU A 19 -3.109 -4.085 6.948 1.00 0.00 N ATOM 265 CA LEU A 19 -4.490 -3.634 6.818 1.00 0.00 C ATOM 266 C LEU A 19 -5.229 -3.753 8.146 1.00 0.00 C ATOM 267 O LEU A 19 -5.004 -4.691 8.911 1.00 0.00 O ATOM 268 CB LEU A 19 -5.214 -4.447 5.744 1.00 0.00 C ATOM 269 CG LEU A 19 -5.530 -3.683 4.457 1.00 0.00 C ATOM 270 CD1 LEU A 19 -6.571 -4.428 3.635 1.00 0.00 C ATOM 271 CD2 LEU A 19 -6.008 -2.275 4.777 1.00 0.00 C ATOM 0 H LEU A 19 -2.957 -5.059 6.685 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.477 -2.585 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.603 -5.314 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.147 -4.824 6.163 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.616 -3.610 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.783 -3.869 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.190 -5.416 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.487 -4.534 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.228 -1.746 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.909 -2.327 5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.230 -1.742 5.323 1.00 0.00 H new ATOM 283 N LYS A 20 -6.111 -2.796 8.415 1.00 0.00 N ATOM 284 CA LYS A 20 -6.882 -2.793 9.651 1.00 0.00 C ATOM 285 C LYS A 20 -8.246 -2.144 9.441 1.00 0.00 C ATOM 286 O LYS A 20 -8.621 -1.815 8.316 1.00 0.00 O ATOM 287 CB LYS A 20 -6.118 -2.056 10.752 1.00 0.00 C ATOM 288 CG LYS A 20 -5.509 -2.982 11.792 1.00 0.00 C ATOM 289 CD LYS A 20 -6.572 -3.827 12.475 1.00 0.00 C ATOM 290 CE LYS A 20 -6.260 -5.311 12.364 1.00 0.00 C ATOM 291 NZ LYS A 20 -7.464 -6.105 11.992 1.00 0.00 N ATOM 0 H LYS A 20 -6.309 -2.012 7.793 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.036 -3.828 9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.325 -1.462 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.794 -1.360 11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.775 -3.633 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.976 -2.393 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.642 -3.546 13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.544 -3.624 12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.480 -5.463 11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.867 -5.671 13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.190 -7.095 11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.160 -6.062 12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.884 -5.713 11.125 1.00 0.00 H new ATOM 305 N THR A 21 -8.984 -1.963 10.532 1.00 0.00 N ATOM 306 CA THR A 21 -10.307 -1.353 10.467 1.00 0.00 C ATOM 307 C THR A 21 -10.487 -0.313 11.567 1.00 0.00 C ATOM 308 O THR A 21 -10.015 -0.494 12.690 1.00 0.00 O ATOM 309 CB THR A 21 -11.420 -2.410 10.589 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.846 -3.722 10.651 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.378 -2.326 9.410 1.00 0.00 C ATOM 0 H THR A 21 -8.688 -2.230 11.471 1.00 0.00 H new ATOM 0 HA THR A 21 -10.383 -0.867 9.494 1.00 0.00 H new ATOM 0 HB THR A 21 -11.978 -2.214 11.505 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.560 -4.388 10.730 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.155 -3.082 9.518 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.835 -1.337 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.831 -2.499 8.483 1.00 0.00 H new ATOM 319 N GLN A 22 -11.172 0.777 11.238 1.00 0.00 N ATOM 320 CA GLN A 22 -11.415 1.846 12.199 1.00 0.00 C ATOM 321 C GLN A 22 -12.875 2.286 12.166 1.00 0.00 C ATOM 322 O GLN A 22 -13.174 3.472 12.026 1.00 0.00 O ATOM 323 CB GLN A 22 -10.504 3.040 11.906 1.00 0.00 C ATOM 324 CG GLN A 22 -9.102 2.888 12.473 1.00 0.00 C ATOM 325 CD GLN A 22 -9.102 2.587 13.958 1.00 0.00 C ATOM 326 OE1 GLN A 22 -9.369 1.460 14.375 1.00 0.00 O ATOM 327 NE2 GLN A 22 -8.803 3.597 14.767 1.00 0.00 N ATOM 0 H GLN A 22 -11.569 0.943 10.313 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.192 1.463 13.195 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.438 3.180 10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.957 3.942 12.317 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.585 2.087 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.540 3.804 12.292 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.588 4.515 14.378 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.788 3.454 15.777 1.00 0.00 H new ATOM 336 N GLY A 23 -13.781 1.323 12.296 1.00 0.00 N ATOM 337 CA GLY A 23 -15.199 1.631 12.279 1.00 0.00 C ATOM 338 C GLY A 23 -15.955 0.824 11.241 1.00 0.00 C ATOM 339 O GLY A 23 -16.222 -0.361 11.440 1.00 0.00 O ATOM 0 H GLY A 23 -13.559 0.334 12.413 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.622 1.437 13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.335 2.694 12.078 1.00 0.00 H new ATOM 343 N ASN A 24 -16.301 1.468 10.131 1.00 0.00 N ATOM 344 CA ASN A 24 -17.031 0.803 9.058 1.00 0.00 C ATOM 345 C ASN A 24 -16.170 0.686 7.806 1.00 0.00 C ATOM 346 O ASN A 24 -16.673 0.402 6.718 1.00 0.00 O ATOM 347 CB ASN A 24 -18.316 1.569 8.737 1.00 0.00 C ATOM 348 CG ASN A 24 -19.537 0.951 9.391 1.00 0.00 C ATOM 349 OD1 ASN A 24 -20.603 0.860 8.782 1.00 0.00 O ATOM 350 ND2 ASN A 24 -19.386 0.522 10.639 1.00 0.00 N ATOM 0 H ASN A 24 -16.088 2.449 9.951 1.00 0.00 H new ATOM 0 HA ASN A 24 -17.289 -0.201 9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.213 2.602 9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.460 1.595 7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -20.172 0.097 11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.484 0.618 11.106 1.00 0.00 H new ATOM 357 N LYS A 25 -14.868 0.904 7.966 1.00 0.00 N ATOM 358 CA LYS A 25 -13.936 0.822 6.847 1.00 0.00 C ATOM 359 C LYS A 25 -12.588 0.274 7.302 1.00 0.00 C ATOM 360 O LYS A 25 -12.345 0.109 8.498 1.00 0.00 O ATOM 361 CB LYS A 25 -13.750 2.200 6.209 1.00 0.00 C ATOM 362 CG LYS A 25 -14.824 3.202 6.601 1.00 0.00 C ATOM 363 CD LYS A 25 -14.603 4.548 5.931 1.00 0.00 C ATOM 364 CE LYS A 25 -15.906 5.132 5.410 1.00 0.00 C ATOM 365 NZ LYS A 25 -15.682 6.059 4.266 1.00 0.00 N ATOM 0 H LYS A 25 -14.435 1.139 8.859 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.355 0.140 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.775 2.595 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.745 2.091 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.804 2.813 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.826 3.329 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.152 5.240 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.899 4.434 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.567 4.323 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.412 5.665 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.595 6.435 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.072 6.845 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.222 5.545 3.488 1.00 0.00 H new ATOM 379 N GLN A 26 -11.714 -0.008 6.341 1.00 0.00 N ATOM 380 CA GLN A 26 -10.390 -0.539 6.643 1.00 0.00 C ATOM 381 C GLN A 26 -9.342 0.569 6.617 1.00 0.00 C ATOM 382 O GLN A 26 -9.323 1.398 5.708 1.00 0.00 O ATOM 383 CB GLN A 26 -10.016 -1.634 5.643 1.00 0.00 C ATOM 384 CG GLN A 26 -10.229 -3.042 6.175 1.00 0.00 C ATOM 385 CD GLN A 26 -11.654 -3.283 6.634 1.00 0.00 C ATOM 386 OE1 GLN A 26 -12.551 -2.489 6.353 1.00 0.00 O ATOM 387 NE2 GLN A 26 -11.868 -4.384 7.346 1.00 0.00 N ATOM 0 H GLN A 26 -11.899 0.122 5.346 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.417 -0.967 7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.607 -1.504 4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.970 -1.515 5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.975 -3.762 5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.548 -3.219 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.094 -5.014 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.806 -4.599 7.683 1.00 0.00 H new ATOM 396 N MET A 27 -8.470 0.575 7.621 1.00 0.00 N ATOM 397 CA MET A 27 -7.419 1.581 7.713 1.00 0.00 C ATOM 398 C MET A 27 -6.040 0.939 7.595 1.00 0.00 C ATOM 399 O MET A 27 -5.826 -0.184 8.050 1.00 0.00 O ATOM 400 CB MET A 27 -7.527 2.342 9.036 1.00 0.00 C ATOM 401 CG MET A 27 -8.428 3.564 8.962 1.00 0.00 C ATOM 402 SD MET A 27 -7.934 4.862 10.112 1.00 0.00 S ATOM 403 CE MET A 27 -6.742 5.758 9.120 1.00 0.00 C ATOM 0 H MET A 27 -8.471 -0.105 8.381 1.00 0.00 H new ATOM 0 HA MET A 27 -7.547 2.281 6.887 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.906 1.667 9.804 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.530 2.654 9.349 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.415 3.959 7.946 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.455 3.267 9.175 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.109 6.362 9.770 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.124 5.051 8.567 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.267 6.407 8.419 1.00 0.00 H new ATOM 413 N LEU A 28 -5.108 1.661 6.981 1.00 0.00 N ATOM 414 CA LEU A 28 -3.749 1.162 6.803 1.00 0.00 C ATOM 415 C LEU A 28 -2.874 1.530 7.997 1.00 0.00 C ATOM 416 O LEU A 28 -2.611 2.705 8.248 1.00 0.00 O ATOM 417 CB LEU A 28 -3.141 1.726 5.518 1.00 0.00 C ATOM 418 CG LEU A 28 -1.972 0.920 4.947 1.00 0.00 C ATOM 419 CD1 LEU A 28 -2.485 -0.243 4.111 1.00 0.00 C ATOM 420 CD2 LEU A 28 -1.061 1.814 4.120 1.00 0.00 C ATOM 0 H LEU A 28 -5.269 2.593 6.599 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.794 0.075 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.923 1.789 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.801 2.744 5.711 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.393 0.516 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.640 -0.805 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.095 -0.897 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.087 0.139 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.236 1.224 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.627 2.248 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.666 2.612 4.749 1.00 0.00 H new ATOM 432 N CYS A 29 -2.427 0.516 8.731 1.00 0.00 N ATOM 433 CA CYS A 29 -1.582 0.732 9.899 1.00 0.00 C ATOM 434 C CYS A 29 -0.201 0.119 9.690 1.00 0.00 C ATOM 435 O CYS A 29 -0.073 -0.977 9.145 1.00 0.00 O ATOM 436 CB CYS A 29 -2.236 0.132 11.145 1.00 0.00 C ATOM 437 SG CYS A 29 -3.752 0.991 11.677 1.00 0.00 S ATOM 0 H CYS A 29 -2.636 -0.463 8.537 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.466 1.807 10.040 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.473 -0.914 10.950 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.516 0.148 11.963 1.00 0.00 H new ATOM 442 N THR A 30 0.831 0.834 10.127 1.00 0.00 N ATOM 443 CA THR A 30 2.202 0.359 9.985 1.00 0.00 C ATOM 444 C THR A 30 3.021 0.649 11.235 1.00 0.00 C ATOM 445 O THR A 30 2.891 1.712 11.843 1.00 0.00 O ATOM 446 CB THR A 30 2.905 1.011 8.780 1.00 0.00 C ATOM 447 OG1 THR A 30 2.141 0.799 7.587 1.00 0.00 O ATOM 448 CG2 THR A 30 4.308 0.451 8.599 1.00 0.00 C ATOM 0 H THR A 30 0.744 1.743 10.582 1.00 0.00 H new ATOM 0 HA THR A 30 2.140 -0.718 9.829 1.00 0.00 H new ATOM 0 HB THR A 30 2.982 2.081 8.973 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.205 1.591 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.782 0.928 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.897 0.647 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.252 -0.624 8.431 1.00 0.00 H new ATOM 456 N CYS A 31 3.876 -0.296 11.607 1.00 0.00 N ATOM 457 CA CYS A 31 4.728 -0.133 12.775 1.00 0.00 C ATOM 458 C CYS A 31 5.862 0.833 12.462 1.00 0.00 C ATOM 459 O CYS A 31 6.572 0.663 11.471 1.00 0.00 O ATOM 460 CB CYS A 31 5.299 -1.481 13.216 1.00 0.00 C ATOM 461 SG CYS A 31 5.851 -1.524 14.952 1.00 0.00 S ATOM 0 H CYS A 31 3.997 -1.182 11.116 1.00 0.00 H new ATOM 0 HA CYS A 31 4.126 0.273 13.588 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.541 -2.250 13.068 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.141 -1.735 12.572 1.00 0.00 H new ATOM 466 N LEU A 32 6.021 1.849 13.303 1.00 0.00 N ATOM 467 CA LEU A 32 7.066 2.846 13.109 1.00 0.00 C ATOM 468 C LEU A 32 7.635 3.309 14.446 1.00 0.00 C ATOM 469 O LEU A 32 7.364 4.422 14.896 1.00 0.00 O ATOM 470 CB LEU A 32 6.517 4.045 12.333 1.00 0.00 C ATOM 471 CG LEU A 32 6.272 3.794 10.843 1.00 0.00 C ATOM 472 CD1 LEU A 32 5.266 4.793 10.293 1.00 0.00 C ATOM 473 CD2 LEU A 32 7.579 3.868 10.069 1.00 0.00 C ATOM 0 H LEU A 32 5.439 2.003 14.126 1.00 0.00 H new ATOM 0 HA LEU A 32 7.869 2.385 12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.579 4.357 12.792 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.215 4.876 12.436 1.00 0.00 H new ATOM 0 HG LEU A 32 5.860 2.792 10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.104 4.600 9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.322 4.691 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.650 5.805 10.423 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.386 3.687 9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.020 4.857 10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.269 3.113 10.446 1.00 0.00 H new ATOM 485 N GLY A 33 8.426 2.447 15.077 1.00 0.00 N ATOM 486 CA GLY A 33 9.021 2.786 16.356 1.00 0.00 C ATOM 487 C GLY A 33 8.064 2.581 17.513 1.00 0.00 C ATOM 488 O GLY A 33 7.967 1.483 18.062 1.00 0.00 O ATOM 0 H GLY A 33 8.665 1.520 14.725 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.911 2.176 16.512 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.346 3.826 16.338 1.00 0.00 H new ATOM 492 N ASN A 34 7.355 3.642 17.887 1.00 0.00 N ATOM 493 CA ASN A 34 6.401 3.574 18.987 1.00 0.00 C ATOM 494 C ASN A 34 5.091 4.263 18.617 1.00 0.00 C ATOM 495 O ASN A 34 4.372 4.758 19.484 1.00 0.00 O ATOM 496 CB ASN A 34 6.992 4.218 20.243 1.00 0.00 C ATOM 497 CG ASN A 34 6.987 3.279 21.432 1.00 0.00 C ATOM 498 OD1 ASN A 34 7.544 2.183 21.375 1.00 0.00 O ATOM 499 ND2 ASN A 34 6.354 3.704 22.520 1.00 0.00 N ATOM 0 H ASN A 34 7.424 4.558 17.444 1.00 0.00 H new ATOM 0 HA ASN A 34 6.193 2.523 19.189 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.015 4.535 20.038 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.424 5.115 20.490 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.317 3.114 23.351 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.906 4.620 22.524 1.00 0.00 H new ATOM 506 N GLY A 35 4.789 4.292 17.323 1.00 0.00 N ATOM 507 CA GLY A 35 3.566 4.923 16.862 1.00 0.00 C ATOM 508 C GLY A 35 3.080 4.354 15.544 1.00 0.00 C ATOM 509 O GLY A 35 3.469 4.826 14.475 1.00 0.00 O ATOM 0 H GLY A 35 5.369 3.890 16.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.790 4.797 17.617 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.733 5.994 16.752 1.00 0.00 H new ATOM 513 N VAL A 36 2.228 3.337 15.618 1.00 0.00 N ATOM 514 CA VAL A 36 1.688 2.703 14.422 1.00 0.00 C ATOM 515 C VAL A 36 1.108 3.740 13.466 1.00 0.00 C ATOM 516 O VAL A 36 0.173 4.463 13.811 1.00 0.00 O ATOM 517 CB VAL A 36 0.593 1.678 14.773 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.136 1.223 13.519 1.00 0.00 C ATOM 519 CG2 VAL A 36 1.190 0.490 15.512 1.00 0.00 C ATOM 0 H VAL A 36 1.897 2.934 16.495 1.00 0.00 H new ATOM 0 HA VAL A 36 2.516 2.186 13.937 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.131 2.159 15.431 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.905 0.499 13.788 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.600 2.083 13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.574 0.760 12.833 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.401 -0.223 15.752 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.937 0.007 14.882 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.660 0.834 16.433 1.00 0.00 H new ATOM 529 N SER A 37 1.669 3.807 12.263 1.00 0.00 N ATOM 530 CA SER A 37 1.206 4.756 11.256 1.00 0.00 C ATOM 531 C SER A 37 -0.116 4.301 10.648 1.00 0.00 C ATOM 532 O SER A 37 -0.139 3.640 9.610 1.00 0.00 O ATOM 533 CB SER A 37 2.257 4.919 10.157 1.00 0.00 C ATOM 534 OG SER A 37 1.686 5.466 8.981 1.00 0.00 O ATOM 0 H SER A 37 2.444 3.216 11.962 1.00 0.00 H new ATOM 0 HA SER A 37 1.049 5.718 11.744 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.059 5.567 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.705 3.951 9.931 1.00 0.00 H new ATOM 0 HG SER A 37 1.072 4.815 8.582 1.00 0.00 H new ATOM 540 N CYS A 38 -1.217 4.658 11.302 1.00 0.00 N ATOM 541 CA CYS A 38 -2.544 4.285 10.826 1.00 0.00 C ATOM 542 C CYS A 38 -3.140 5.388 9.957 1.00 0.00 C ATOM 543 O CYS A 38 -3.327 6.517 10.411 1.00 0.00 O ATOM 544 CB CYS A 38 -3.470 3.994 12.008 1.00 0.00 C ATOM 545 SG CYS A 38 -3.072 2.458 12.904 1.00 0.00 S ATOM 0 H CYS A 38 -1.216 5.205 12.163 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.446 3.384 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.425 4.831 12.705 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.496 3.935 11.646 1.00 0.00 H new ATOM 550 N GLN A 39 -3.436 5.053 8.706 1.00 0.00 N ATOM 551 CA GLN A 39 -4.012 6.014 7.772 1.00 0.00 C ATOM 552 C GLN A 39 -4.746 5.300 6.642 1.00 0.00 C ATOM 553 O GLN A 39 -4.334 4.228 6.199 1.00 0.00 O ATOM 554 CB GLN A 39 -2.918 6.915 7.197 1.00 0.00 C ATOM 555 CG GLN A 39 -2.775 8.240 7.928 1.00 0.00 C ATOM 556 CD GLN A 39 -3.470 9.380 7.210 1.00 0.00 C ATOM 557 OE1 GLN A 39 -3.110 9.734 6.087 1.00 0.00 O ATOM 558 NE2 GLN A 39 -4.472 9.963 7.857 1.00 0.00 N ATOM 0 H GLN A 39 -3.287 4.123 8.315 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.730 6.628 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.966 6.385 7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.134 7.110 6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.187 8.143 8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.717 8.477 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.737 9.637 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.977 10.737 7.425 1.00 0.00 H new ATOM 567 N GLU A 40 -5.837 5.903 6.179 1.00 0.00 N ATOM 568 CA GLU A 40 -6.629 5.325 5.100 1.00 0.00 C ATOM 569 C GLU A 40 -5.734 4.633 4.078 1.00 0.00 C ATOM 570 O GLU A 40 -4.563 4.984 3.924 1.00 0.00 O ATOM 571 CB GLU A 40 -7.463 6.409 4.414 1.00 0.00 C ATOM 572 CG GLU A 40 -7.985 7.472 5.367 1.00 0.00 C ATOM 573 CD GLU A 40 -7.029 8.640 5.519 1.00 0.00 C ATOM 574 OE1 GLU A 40 -5.814 8.396 5.674 1.00 0.00 O ATOM 575 OE2 GLU A 40 -7.496 9.797 5.483 1.00 0.00 O ATOM 0 H GLU A 40 -6.192 6.791 6.534 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.298 4.581 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.858 6.889 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.307 5.940 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.946 7.838 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.162 7.023 6.344 1.00 0.00 H new ATOM 636 N GLN A 45 1.212 8.755 -4.265 1.00 0.00 N ATOM 637 CA GLN A 45 2.059 9.828 -4.774 1.00 0.00 C ATOM 638 C GLN A 45 1.308 10.674 -5.797 1.00 0.00 C ATOM 639 O GLN A 45 1.109 10.256 -6.938 1.00 0.00 O ATOM 640 CB GLN A 45 3.326 9.249 -5.405 1.00 0.00 C ATOM 641 CG GLN A 45 4.565 9.411 -4.540 1.00 0.00 C ATOM 642 CD GLN A 45 5.570 8.294 -4.745 1.00 0.00 C ATOM 643 OE1 GLN A 45 5.379 7.419 -5.590 1.00 0.00 O ATOM 644 NE2 GLN A 45 6.649 8.319 -3.972 1.00 0.00 N ATOM 0 HA GLN A 45 2.338 10.467 -3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.170 8.189 -5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.498 9.734 -6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.038 10.367 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.270 9.441 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.767 9.063 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.360 7.594 -4.066 1.00 0.00 H new ATOM 653 N THR A 46 0.892 11.866 -5.381 1.00 0.00 N ATOM 654 CA THR A 46 0.163 12.770 -6.261 1.00 0.00 C ATOM 655 C THR A 46 1.099 13.792 -6.897 1.00 0.00 C ATOM 656 O THR A 46 1.792 14.533 -6.199 1.00 0.00 O ATOM 657 CB THR A 46 -0.951 13.515 -5.503 1.00 0.00 C ATOM 658 OG1 THR A 46 -0.417 14.130 -4.325 1.00 0.00 O ATOM 659 CG2 THR A 46 -2.073 12.562 -5.118 1.00 0.00 C ATOM 0 H THR A 46 1.048 12.228 -4.440 1.00 0.00 H new ATOM 0 HA THR A 46 -0.286 12.156 -7.042 1.00 0.00 H new ATOM 0 HB THR A 46 -1.356 14.283 -6.161 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.527 15.102 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.849 13.110 -4.584 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.498 12.117 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.678 11.775 -4.476 1.00 0.00 H new ATOM 667 N TYR A 47 1.113 13.828 -8.225 1.00 0.00 N ATOM 668 CA TYR A 47 1.964 14.759 -8.956 1.00 0.00 C ATOM 669 C TYR A 47 1.147 15.577 -9.950 1.00 0.00 C ATOM 670 O TYR A 47 0.096 15.136 -10.417 1.00 0.00 O ATOM 671 CB TYR A 47 3.073 14.003 -9.690 1.00 0.00 C ATOM 672 CG TYR A 47 2.561 13.039 -10.736 1.00 0.00 C ATOM 673 CD1 TYR A 47 2.326 13.459 -12.039 1.00 0.00 C ATOM 674 CD2 TYR A 47 2.312 11.709 -10.420 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.857 12.581 -12.998 1.00 0.00 C ATOM 676 CE2 TYR A 47 1.844 10.825 -11.374 1.00 0.00 C ATOM 677 CZ TYR A 47 1.618 11.266 -12.660 1.00 0.00 C ATOM 678 OH TYR A 47 1.152 10.389 -13.613 1.00 0.00 O ATOM 0 H TYR A 47 0.544 13.223 -8.817 1.00 0.00 H new ATOM 0 HA TYR A 47 2.415 15.441 -8.235 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.738 14.723 -10.167 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.669 13.453 -8.962 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.513 14.488 -12.307 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.487 11.360 -9.413 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.679 12.923 -14.007 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.656 9.794 -11.113 1.00 0.00 H new ATOM 0 HH TYR A 47 1.480 10.661 -14.496 1.00 0.00 H new ATOM 688 N GLY A 48 1.635 16.771 -10.271 1.00 0.00 N ATOM 689 CA GLY A 48 0.937 17.631 -11.208 1.00 0.00 C ATOM 690 C GLY A 48 -0.556 17.680 -10.948 1.00 0.00 C ATOM 691 O GLY A 48 -0.999 17.549 -9.807 1.00 0.00 O ATOM 0 H GLY A 48 2.502 17.158 -9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.347 18.639 -11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.115 17.277 -12.223 1.00 0.00 H new ATOM 695 N GLY A 49 -1.333 17.868 -12.009 1.00 0.00 N ATOM 696 CA GLY A 49 -2.776 17.930 -11.869 1.00 0.00 C ATOM 697 C GLY A 49 -3.259 19.301 -11.440 1.00 0.00 C ATOM 698 O GLY A 49 -2.490 20.262 -11.427 1.00 0.00 O ATOM 0 H GLY A 49 -0.990 17.979 -12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.242 17.665 -12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.099 17.189 -11.138 1.00 0.00 H new ATOM 702 N ASN A 50 -4.538 19.392 -11.088 1.00 0.00 N ATOM 703 CA ASN A 50 -5.124 20.656 -10.656 1.00 0.00 C ATOM 704 C ASN A 50 -4.887 20.885 -9.167 1.00 0.00 C ATOM 705 O ASN A 50 -5.488 21.772 -8.562 1.00 0.00 O ATOM 706 CB ASN A 50 -6.624 20.674 -10.955 1.00 0.00 C ATOM 707 CG ASN A 50 -7.280 21.977 -10.543 1.00 0.00 C ATOM 708 OD1 ASN A 50 -6.602 22.958 -10.238 1.00 0.00 O ATOM 709 ND2 ASN A 50 -8.608 21.993 -10.531 1.00 0.00 N ATOM 0 H ASN A 50 -5.188 18.606 -11.094 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.640 21.461 -11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.781 20.513 -12.022 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.106 19.847 -10.433 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.105 22.842 -10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.130 21.157 -10.791 1.00 0.00 H new ATOM 716 N SER A 51 -4.005 20.079 -8.582 1.00 0.00 N ATOM 717 CA SER A 51 -3.688 20.195 -7.164 1.00 0.00 C ATOM 718 C SER A 51 -2.314 20.825 -6.963 1.00 0.00 C ATOM 719 O SER A 51 -2.008 21.342 -5.888 1.00 0.00 O ATOM 720 CB SER A 51 -3.734 18.819 -6.496 1.00 0.00 C ATOM 721 OG SER A 51 -4.133 18.923 -5.140 1.00 0.00 O ATOM 0 H SER A 51 -3.498 19.340 -9.069 1.00 0.00 H new ATOM 0 HA SER A 51 -4.434 20.841 -6.702 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.428 18.173 -7.034 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.752 18.350 -6.554 1.00 0.00 H new ATOM 0 HG SER A 51 -4.263 19.866 -4.909 1.00 0.00 H new ATOM 727 N ASN A 52 -1.490 20.778 -8.004 1.00 0.00 N ATOM 728 CA ASN A 52 -0.148 21.345 -7.943 1.00 0.00 C ATOM 729 C ASN A 52 0.654 20.722 -6.805 1.00 0.00 C ATOM 730 O ASN A 52 0.987 21.392 -5.827 1.00 0.00 O ATOM 731 CB ASN A 52 -0.221 22.862 -7.760 1.00 0.00 C ATOM 732 CG ASN A 52 1.111 23.461 -7.354 1.00 0.00 C ATOM 733 OD1 ASN A 52 1.267 23.958 -6.238 1.00 0.00 O ATOM 734 ND2 ASN A 52 2.081 23.418 -8.260 1.00 0.00 N ATOM 0 H ASN A 52 -1.728 20.353 -8.900 1.00 0.00 H new ATOM 0 HA ASN A 52 0.357 21.123 -8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.554 23.322 -8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.968 23.098 -7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.999 23.806 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.908 22.997 -9.173 1.00 0.00 H new ATOM 741 N GLY A 53 0.961 19.436 -6.939 1.00 0.00 N ATOM 742 CA GLY A 53 1.722 18.745 -5.915 1.00 0.00 C ATOM 743 C GLY A 53 1.030 18.761 -4.567 1.00 0.00 C ATOM 744 O GLY A 53 1.599 19.218 -3.575 1.00 0.00 O ATOM 0 H GLY A 53 0.696 18.860 -7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.886 17.712 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.704 19.209 -5.821 1.00 0.00 H new ATOM 748 N GLU A 54 -0.201 18.262 -4.529 1.00 0.00 N ATOM 749 CA GLU A 54 -0.971 18.221 -3.292 1.00 0.00 C ATOM 750 C GLU A 54 -1.677 16.878 -3.135 1.00 0.00 C ATOM 751 O GLU A 54 -1.791 16.109 -4.089 1.00 0.00 O ATOM 752 CB GLU A 54 -1.998 19.355 -3.267 1.00 0.00 C ATOM 753 CG GLU A 54 -1.463 20.647 -2.672 1.00 0.00 C ATOM 754 CD GLU A 54 -2.003 21.879 -3.371 1.00 0.00 C ATOM 755 OE1 GLU A 54 -3.227 21.937 -3.610 1.00 0.00 O ATOM 756 OE2 GLU A 54 -1.201 22.786 -3.679 1.00 0.00 O ATOM 0 H GLU A 54 -0.687 17.880 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.279 18.348 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.339 19.547 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.868 19.034 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.723 20.691 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.375 20.647 -2.733 1.00 0.00 H new ATOM 763 N PRO A 55 -2.161 16.583 -1.921 1.00 0.00 N ATOM 764 CA PRO A 55 -2.860 15.329 -1.628 1.00 0.00 C ATOM 765 C PRO A 55 -4.243 15.276 -2.268 1.00 0.00 C ATOM 766 O PRO A 55 -4.621 16.168 -3.028 1.00 0.00 O ATOM 767 CB PRO A 55 -2.975 15.336 -0.103 1.00 0.00 C ATOM 768 CG PRO A 55 -2.948 16.777 0.272 1.00 0.00 C ATOM 769 CD PRO A 55 -2.061 17.454 -0.737 1.00 0.00 C ATOM 0 HA PRO A 55 -2.330 14.463 -2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.898 14.858 0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.151 14.791 0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.951 17.203 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.561 16.910 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.400 18.467 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.034 17.531 -0.381 1.00 0.00 H new ATOM 777 N CYS A 56 -4.995 14.226 -1.956 1.00 0.00 N ATOM 778 CA CYS A 56 -6.337 14.059 -2.502 1.00 0.00 C ATOM 779 C CYS A 56 -7.397 14.371 -1.453 1.00 0.00 C ATOM 780 O CYS A 56 -7.082 14.784 -0.338 1.00 0.00 O ATOM 781 CB CYS A 56 -6.525 12.633 -3.024 1.00 0.00 C ATOM 782 SG CYS A 56 -5.925 12.377 -4.725 1.00 0.00 S ATOM 0 H CYS A 56 -4.698 13.478 -1.329 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.453 14.760 -3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.005 11.943 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.584 12.379 -2.982 1.00 0.00 H new ATOM 787 N VAL A 57 -8.657 14.171 -1.823 1.00 0.00 N ATOM 788 CA VAL A 57 -9.770 14.432 -0.920 1.00 0.00 C ATOM 789 C VAL A 57 -10.955 13.528 -1.240 1.00 0.00 C ATOM 790 O VAL A 57 -12.047 14.004 -1.552 1.00 0.00 O ATOM 791 CB VAL A 57 -10.220 15.902 -1.002 1.00 0.00 C ATOM 792 CG1 VAL A 57 -10.900 16.327 0.291 1.00 0.00 C ATOM 793 CG2 VAL A 57 -9.034 16.804 -1.313 1.00 0.00 C ATOM 0 H VAL A 57 -8.933 13.829 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.420 14.223 0.091 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.944 15.998 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.211 17.369 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.774 15.700 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.203 16.217 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.369 17.840 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.286 16.706 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.596 16.513 -2.268 1.00 0.00 H new ATOM 803 N LEU A 58 -10.730 12.221 -1.162 1.00 0.00 N ATOM 804 CA LEU A 58 -11.776 11.245 -1.446 1.00 0.00 C ATOM 805 C LEU A 58 -12.778 11.169 -0.297 1.00 0.00 C ATOM 806 O LEU A 58 -12.465 11.530 0.837 1.00 0.00 O ATOM 807 CB LEU A 58 -11.161 9.866 -1.693 1.00 0.00 C ATOM 808 CG LEU A 58 -9.801 9.880 -2.395 1.00 0.00 C ATOM 809 CD1 LEU A 58 -9.273 8.464 -2.560 1.00 0.00 C ATOM 810 CD2 LEU A 58 -9.906 10.574 -3.745 1.00 0.00 C ATOM 0 H LEU A 58 -9.832 11.812 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.304 11.567 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.053 9.356 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.856 9.277 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.098 10.438 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.305 8.493 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.161 8.001 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.974 7.882 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.930 10.575 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.623 10.044 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.241 11.601 -3.601 1.00 0.00 H new ATOM 822 N PRO A 59 -14.002 10.696 -0.580 1.00 0.00 N ATOM 823 CA PRO A 59 -14.402 10.259 -1.921 1.00 0.00 C ATOM 824 C PRO A 59 -14.546 11.427 -2.890 1.00 0.00 C ATOM 825 O PRO A 59 -14.730 12.571 -2.475 1.00 0.00 O ATOM 826 CB PRO A 59 -15.765 9.583 -1.700 1.00 0.00 C ATOM 827 CG PRO A 59 -15.911 9.442 -0.220 1.00 0.00 C ATOM 828 CD PRO A 59 -15.095 10.546 0.385 1.00 0.00 C ATOM 0 HA PRO A 59 -13.656 9.601 -2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.573 10.184 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.804 8.611 -2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.956 9.522 0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.557 8.467 0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.671 11.465 0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.728 10.283 1.377 1.00 0.00 H new ATOM 836 N PHE A 60 -14.462 11.131 -4.183 1.00 0.00 N ATOM 837 CA PHE A 60 -14.583 12.158 -5.211 1.00 0.00 C ATOM 838 C PHE A 60 -15.364 11.635 -6.412 1.00 0.00 C ATOM 839 O PHE A 60 -14.917 10.723 -7.106 1.00 0.00 O ATOM 840 CB PHE A 60 -13.197 12.631 -5.655 1.00 0.00 C ATOM 841 CG PHE A 60 -12.570 11.755 -6.702 1.00 0.00 C ATOM 842 CD1 PHE A 60 -11.920 10.585 -6.347 1.00 0.00 C ATOM 843 CD2 PHE A 60 -12.631 12.104 -8.042 1.00 0.00 C ATOM 844 CE1 PHE A 60 -11.341 9.778 -7.308 1.00 0.00 C ATOM 845 CE2 PHE A 60 -12.055 11.301 -9.008 1.00 0.00 C ATOM 846 CZ PHE A 60 -11.409 10.136 -8.641 1.00 0.00 C ATOM 0 H PHE A 60 -14.311 10.189 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 60 -15.127 13.001 -4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.276 13.647 -6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.540 12.671 -4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.865 10.300 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.134 13.014 -8.334 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.836 8.869 -7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -12.110 11.584 -10.049 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.958 9.507 -9.394 1.00 0.00 H new ATOM 856 N THR A 61 -16.535 12.219 -6.649 1.00 0.00 N ATOM 857 CA THR A 61 -17.380 11.815 -7.762 1.00 0.00 C ATOM 858 C THR A 61 -16.956 12.506 -9.054 1.00 0.00 C ATOM 859 O THR A 61 -16.398 13.603 -9.027 1.00 0.00 O ATOM 860 CB THR A 61 -18.857 12.143 -7.482 1.00 0.00 C ATOM 861 OG1 THR A 61 -18.964 13.436 -6.874 1.00 0.00 O ATOM 862 CG2 THR A 61 -19.484 11.098 -6.572 1.00 0.00 C ATOM 0 H THR A 61 -16.919 12.975 -6.082 1.00 0.00 H new ATOM 0 HA THR A 61 -17.265 10.737 -7.876 1.00 0.00 H new ATOM 0 HB THR A 61 -19.391 12.141 -8.432 1.00 0.00 H new ATOM 0 HG1 THR A 61 -19.907 13.639 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 61 -20.528 11.353 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 61 -19.428 10.119 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.946 11.071 -5.624 1.00 0.00 H new ATOM 870 N TYR A 62 -17.226 11.862 -10.186 1.00 0.00 N ATOM 871 CA TYR A 62 -16.874 12.423 -11.486 1.00 0.00 C ATOM 872 C TYR A 62 -17.618 11.709 -12.612 1.00 0.00 C ATOM 873 O TYR A 62 -17.608 10.481 -12.701 1.00 0.00 O ATOM 874 CB TYR A 62 -15.362 12.337 -11.713 1.00 0.00 C ATOM 875 CG TYR A 62 -14.960 12.414 -13.169 1.00 0.00 C ATOM 876 CD1 TYR A 62 -14.783 13.641 -13.796 1.00 0.00 C ATOM 877 CD2 TYR A 62 -14.757 11.260 -13.915 1.00 0.00 C ATOM 878 CE1 TYR A 62 -14.415 13.716 -15.126 1.00 0.00 C ATOM 879 CE2 TYR A 62 -14.389 11.327 -15.246 1.00 0.00 C ATOM 880 CZ TYR A 62 -14.220 12.556 -15.846 1.00 0.00 C ATOM 881 OH TYR A 62 -13.854 12.627 -17.171 1.00 0.00 O ATOM 0 H TYR A 62 -17.687 10.953 -10.229 1.00 0.00 H new ATOM 0 HA TYR A 62 -17.173 13.471 -11.492 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.875 13.146 -11.168 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.993 11.402 -11.292 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.935 14.551 -13.235 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.889 10.295 -13.448 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -14.281 14.678 -15.599 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -14.235 10.421 -15.813 1.00 0.00 H new ATOM 0 HH TYR A 62 -13.756 11.721 -17.532 1.00 0.00 H new ATOM 891 N ASN A 63 -18.270 12.491 -13.469 1.00 0.00 N ATOM 892 CA ASN A 63 -19.023 11.940 -14.592 1.00 0.00 C ATOM 893 C ASN A 63 -20.357 11.350 -14.137 1.00 0.00 C ATOM 894 O ASN A 63 -21.189 10.973 -14.962 1.00 0.00 O ATOM 895 CB ASN A 63 -18.198 10.867 -15.306 1.00 0.00 C ATOM 896 CG ASN A 63 -17.844 11.258 -16.727 1.00 0.00 C ATOM 897 OD1 ASN A 63 -18.632 11.898 -17.422 1.00 0.00 O ATOM 898 ND2 ASN A 63 -16.652 10.872 -17.166 1.00 0.00 N ATOM 0 H ASN A 63 -18.292 13.509 -13.407 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.232 12.757 -15.283 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -17.282 10.683 -14.744 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -18.757 9.931 -15.318 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.358 11.105 -18.114 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.030 10.343 -16.555 1.00 0.00 H new ATOM 905 N GLY A 64 -20.555 11.265 -12.825 1.00 0.00 N ATOM 906 CA GLY A 64 -21.786 10.713 -12.296 1.00 0.00 C ATOM 907 C GLY A 64 -21.530 9.545 -11.366 1.00 0.00 C ATOM 908 O GLY A 64 -22.461 8.988 -10.784 1.00 0.00 O ATOM 0 H GLY A 64 -19.884 11.569 -12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -22.331 11.490 -11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -22.421 10.388 -13.120 1.00 0.00 H new ATOM 912 N ARG A 65 -20.261 9.176 -11.228 1.00 0.00 N ATOM 913 CA ARG A 65 -19.875 8.069 -10.365 1.00 0.00 C ATOM 914 C ARG A 65 -19.115 8.585 -9.144 1.00 0.00 C ATOM 915 O ARG A 65 -18.541 9.673 -9.176 1.00 0.00 O ATOM 916 CB ARG A 65 -19.034 7.055 -11.165 1.00 0.00 C ATOM 917 CG ARG A 65 -17.623 6.823 -10.639 1.00 0.00 C ATOM 918 CD ARG A 65 -17.582 5.698 -9.616 1.00 0.00 C ATOM 919 NE ARG A 65 -18.479 4.601 -9.972 1.00 0.00 N ATOM 920 CZ ARG A 65 -19.028 3.781 -9.082 1.00 0.00 C ATOM 921 NH1 ARG A 65 -18.772 3.932 -7.790 1.00 0.00 N ATOM 922 NH2 ARG A 65 -19.834 2.807 -9.484 1.00 0.00 N ATOM 0 H ARG A 65 -19.482 9.630 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 65 -20.770 7.562 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -19.561 6.101 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -18.968 7.397 -12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.960 6.584 -11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -17.248 7.741 -10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.563 5.320 -9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.858 6.089 -8.636 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.696 4.457 -10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.152 4.679 -7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.195 3.301 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.033 2.687 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.255 2.178 -8.800 1.00 0.00 H new ATOM 936 N THR A 66 -19.111 7.799 -8.074 1.00 0.00 N ATOM 937 CA THR A 66 -18.415 8.181 -6.851 1.00 0.00 C ATOM 938 C THR A 66 -17.149 7.354 -6.661 1.00 0.00 C ATOM 939 O THR A 66 -17.190 6.252 -6.113 1.00 0.00 O ATOM 940 CB THR A 66 -19.316 8.013 -5.614 1.00 0.00 C ATOM 941 OG1 THR A 66 -20.537 8.741 -5.792 1.00 0.00 O ATOM 942 CG2 THR A 66 -18.608 8.502 -4.359 1.00 0.00 C ATOM 0 H THR A 66 -19.581 6.895 -8.028 1.00 0.00 H new ATOM 0 HA THR A 66 -18.148 9.233 -6.954 1.00 0.00 H new ATOM 0 HB THR A 66 -19.540 6.953 -5.498 1.00 0.00 H new ATOM 0 HG1 THR A 66 -21.104 8.627 -5.001 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.264 8.373 -3.498 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.695 7.926 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.358 9.557 -4.470 1.00 0.00 H new ATOM 950 N PHE A 67 -16.023 7.893 -7.120 1.00 0.00 N ATOM 951 CA PHE A 67 -14.742 7.206 -7.003 1.00 0.00 C ATOM 952 C PHE A 67 -14.170 7.354 -5.597 1.00 0.00 C ATOM 953 O PHE A 67 -14.111 8.456 -5.053 1.00 0.00 O ATOM 954 CB PHE A 67 -13.750 7.756 -8.029 1.00 0.00 C ATOM 955 CG PHE A 67 -14.336 7.929 -9.401 1.00 0.00 C ATOM 956 CD1 PHE A 67 -15.118 9.033 -9.700 1.00 0.00 C ATOM 957 CD2 PHE A 67 -14.107 6.987 -10.392 1.00 0.00 C ATOM 958 CE1 PHE A 67 -15.660 9.195 -10.960 1.00 0.00 C ATOM 959 CE2 PHE A 67 -14.647 7.145 -11.655 1.00 0.00 C ATOM 960 CZ PHE A 67 -15.425 8.250 -11.938 1.00 0.00 C ATOM 0 H PHE A 67 -15.972 8.804 -7.576 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.908 6.147 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.375 8.718 -7.680 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.894 7.084 -8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.306 9.776 -8.939 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -13.500 6.120 -10.175 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.267 10.061 -11.180 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.460 6.405 -12.419 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.849 8.375 -12.923 1.00 0.00 H new ATOM 970 N TYR A 68 -13.746 6.236 -5.016 1.00 0.00 N ATOM 971 CA TYR A 68 -13.175 6.240 -3.675 1.00 0.00 C ATOM 972 C TYR A 68 -11.653 6.171 -3.735 1.00 0.00 C ATOM 973 O TYR A 68 -10.992 5.916 -2.728 1.00 0.00 O ATOM 974 CB TYR A 68 -13.720 5.065 -2.861 1.00 0.00 C ATOM 975 CG TYR A 68 -15.103 5.307 -2.299 1.00 0.00 C ATOM 976 CD1 TYR A 68 -16.238 4.994 -3.037 1.00 0.00 C ATOM 977 CD2 TYR A 68 -15.273 5.847 -1.031 1.00 0.00 C ATOM 978 CE1 TYR A 68 -17.503 5.214 -2.526 1.00 0.00 C ATOM 979 CE2 TYR A 68 -16.535 6.069 -0.513 1.00 0.00 C ATOM 980 CZ TYR A 68 -17.646 5.751 -1.265 1.00 0.00 C ATOM 981 OH TYR A 68 -18.905 5.971 -0.753 1.00 0.00 O ATOM 0 H TYR A 68 -13.787 5.316 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.461 7.172 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.744 4.177 -3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.035 4.854 -2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.130 4.572 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.405 6.098 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -18.376 4.966 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.650 6.489 0.475 1.00 0.00 H new ATOM 0 HH TYR A 68 -18.830 6.353 0.147 1.00 0.00 H new ATOM 991 N SER A 69 -11.103 6.400 -4.923 1.00 0.00 N ATOM 992 CA SER A 69 -9.658 6.364 -5.117 1.00 0.00 C ATOM 993 C SER A 69 -9.297 6.705 -6.559 1.00 0.00 C ATOM 994 O SER A 69 -10.168 6.783 -7.426 1.00 0.00 O ATOM 995 CB SER A 69 -9.107 4.984 -4.754 1.00 0.00 C ATOM 996 OG SER A 69 -8.357 5.033 -3.553 1.00 0.00 O ATOM 0 H SER A 69 -11.636 6.613 -5.766 1.00 0.00 H new ATOM 0 HA SER A 69 -9.209 7.110 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.930 4.278 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.478 4.616 -5.564 1.00 0.00 H new ATOM 0 HG SER A 69 -8.931 5.343 -2.821 1.00 0.00 H new ATOM 1002 N CYS A 70 -8.008 6.909 -6.810 1.00 0.00 N ATOM 1003 CA CYS A 70 -7.533 7.242 -8.148 1.00 0.00 C ATOM 1004 C CYS A 70 -8.302 6.461 -9.208 1.00 0.00 C ATOM 1005 O CYS A 70 -8.945 5.454 -8.908 1.00 0.00 O ATOM 1006 CB CYS A 70 -6.036 6.951 -8.269 1.00 0.00 C ATOM 1007 SG CYS A 70 -5.138 8.110 -9.350 1.00 0.00 S ATOM 0 H CYS A 70 -7.274 6.850 -6.104 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.703 8.306 -8.312 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.590 6.978 -7.275 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -5.903 5.938 -8.650 1.00 0.00 H new ATOM 1012 N THR A 71 -8.232 6.931 -10.449 1.00 0.00 N ATOM 1013 CA THR A 71 -8.922 6.277 -11.554 1.00 0.00 C ATOM 1014 C THR A 71 -8.345 6.713 -12.896 1.00 0.00 C ATOM 1015 O THR A 71 -7.750 7.786 -13.009 1.00 0.00 O ATOM 1016 CB THR A 71 -10.431 6.582 -11.535 1.00 0.00 C ATOM 1017 OG1 THR A 71 -11.101 5.805 -12.536 1.00 0.00 O ATOM 1018 CG2 THR A 71 -10.687 8.061 -11.780 1.00 0.00 C ATOM 0 H THR A 71 -7.704 7.763 -10.714 1.00 0.00 H new ATOM 0 HA THR A 71 -8.775 5.204 -11.428 1.00 0.00 H new ATOM 0 HB THR A 71 -10.820 6.320 -10.551 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.060 6.004 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.760 8.252 -11.762 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.201 8.648 -11.001 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.284 8.344 -12.753 1.00 0.00 H new ATOM 1026 N THR A 72 -8.524 5.876 -13.913 1.00 0.00 N ATOM 1027 CA THR A 72 -8.021 6.176 -15.247 1.00 0.00 C ATOM 1028 C THR A 72 -9.142 6.659 -16.161 1.00 0.00 C ATOM 1029 O THR A 72 -9.010 6.643 -17.384 1.00 0.00 O ATOM 1030 CB THR A 72 -7.350 4.945 -15.886 1.00 0.00 C ATOM 1031 OG1 THR A 72 -8.020 3.750 -15.469 1.00 0.00 O ATOM 1032 CG2 THR A 72 -5.880 4.869 -15.500 1.00 0.00 C ATOM 0 H THR A 72 -9.014 4.985 -13.838 1.00 0.00 H new ATOM 0 HA THR A 72 -7.280 6.967 -15.134 1.00 0.00 H new ATOM 0 HB THR A 72 -7.421 5.041 -16.969 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.589 2.972 -15.881 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.427 3.992 -15.963 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.367 5.767 -15.844 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.792 4.794 -14.416 1.00 0.00 H new ATOM 1040 N GLU A 73 -10.245 7.090 -15.557 1.00 0.00 N ATOM 1041 CA GLU A 73 -11.391 7.578 -16.316 1.00 0.00 C ATOM 1042 C GLU A 73 -11.093 8.941 -16.934 1.00 0.00 C ATOM 1043 O GLU A 73 -11.097 9.960 -16.244 1.00 0.00 O ATOM 1044 CB GLU A 73 -12.623 7.672 -15.414 1.00 0.00 C ATOM 1045 CG GLU A 73 -13.570 6.492 -15.553 1.00 0.00 C ATOM 1046 CD GLU A 73 -12.853 5.209 -15.925 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -12.655 4.969 -17.135 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -12.490 4.444 -15.007 1.00 0.00 O ATOM 0 H GLU A 73 -10.369 7.111 -14.545 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.591 6.870 -17.120 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.298 7.746 -14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.163 8.590 -15.645 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.103 6.346 -14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.318 6.719 -16.312 1.00 0.00 H new ATOM 1055 N GLY A 74 -10.836 8.950 -18.237 1.00 0.00 N ATOM 1056 CA GLY A 74 -10.540 10.192 -18.926 1.00 0.00 C ATOM 1057 C GLY A 74 -9.091 10.284 -19.360 1.00 0.00 C ATOM 1058 O GLY A 74 -8.798 10.670 -20.492 1.00 0.00 O ATOM 0 H GLY A 74 -10.827 8.119 -18.829 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.184 10.281 -19.801 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.774 11.032 -18.271 1.00 0.00 H new ATOM 1062 N ARG A 75 -8.181 9.928 -18.459 1.00 0.00 N ATOM 1063 CA ARG A 75 -6.754 9.971 -18.755 1.00 0.00 C ATOM 1064 C ARG A 75 -6.351 8.813 -19.662 1.00 0.00 C ATOM 1065 O ARG A 75 -6.914 7.721 -19.578 1.00 0.00 O ATOM 1066 CB ARG A 75 -5.942 9.927 -17.460 1.00 0.00 C ATOM 1067 CG ARG A 75 -6.166 11.131 -16.560 1.00 0.00 C ATOM 1068 CD ARG A 75 -5.878 12.434 -17.289 1.00 0.00 C ATOM 1069 NE ARG A 75 -4.458 12.588 -17.594 1.00 0.00 N ATOM 1070 CZ ARG A 75 -3.997 13.307 -18.612 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -4.840 13.934 -19.421 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -2.691 13.400 -18.821 1.00 0.00 N ATOM 0 H ARG A 75 -8.407 9.606 -17.518 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.544 10.906 -19.275 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.198 9.021 -16.911 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.883 9.861 -17.707 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.196 11.133 -16.203 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.524 11.055 -15.682 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.453 12.466 -18.214 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.210 13.273 -16.677 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.782 12.117 -16.992 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.845 13.865 -19.263 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.483 14.485 -20.202 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.040 12.920 -18.200 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.338 13.952 -19.603 1.00 0.00 H new ATOM 1086 N GLN A 76 -5.373 9.059 -20.527 1.00 0.00 N ATOM 1087 CA GLN A 76 -4.895 8.036 -21.450 1.00 0.00 C ATOM 1088 C GLN A 76 -3.371 7.966 -21.444 1.00 0.00 C ATOM 1089 O GLN A 76 -2.766 7.331 -22.308 1.00 0.00 O ATOM 1090 CB GLN A 76 -5.398 8.321 -22.866 1.00 0.00 C ATOM 1091 CG GLN A 76 -4.837 7.374 -23.914 1.00 0.00 C ATOM 1092 CD GLN A 76 -5.631 7.395 -25.205 1.00 0.00 C ATOM 1093 OE1 GLN A 76 -6.783 6.964 -25.245 1.00 0.00 O ATOM 1094 NE2 GLN A 76 -5.018 7.899 -26.269 1.00 0.00 N ATOM 0 H GLN A 76 -4.896 9.957 -20.608 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.286 7.074 -21.120 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.486 8.257 -22.876 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.137 9.344 -23.136 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.802 7.643 -24.124 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.828 6.360 -23.514 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.062 8.245 -26.190 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.503 7.940 -27.165 1.00 0.00 H new ATOM 1103 N ASP A 77 -2.757 8.623 -20.466 1.00 0.00 N ATOM 1104 CA ASP A 77 -1.303 8.634 -20.348 1.00 0.00 C ATOM 1105 C ASP A 77 -0.802 7.362 -19.671 1.00 0.00 C ATOM 1106 O ASP A 77 0.394 7.074 -19.678 1.00 0.00 O ATOM 1107 CB ASP A 77 -0.843 9.861 -19.558 1.00 0.00 C ATOM 1108 CG ASP A 77 -1.867 10.978 -19.575 1.00 0.00 C ATOM 1109 OD1 ASP A 77 -2.769 10.971 -18.710 1.00 0.00 O ATOM 1110 OD2 ASP A 77 -1.767 11.863 -20.452 1.00 0.00 O ATOM 0 H ASP A 77 -3.243 9.155 -19.744 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.883 8.679 -21.353 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.643 9.571 -18.526 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.096 10.226 -19.974 1.00 0.00 H new ATOM 1115 N GLY A 78 -1.726 6.606 -19.088 1.00 0.00 N ATOM 1116 CA GLY A 78 -1.358 5.374 -18.415 1.00 0.00 C ATOM 1117 C GLY A 78 -1.627 5.426 -16.924 1.00 0.00 C ATOM 1118 O GLY A 78 -2.273 4.536 -16.371 1.00 0.00 O ATOM 0 H GLY A 78 -2.722 6.824 -19.069 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.913 4.544 -18.853 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.300 5.173 -18.584 1.00 0.00 H new ATOM 1122 N HIS A 79 -1.129 6.471 -16.271 1.00 0.00 N ATOM 1123 CA HIS A 79 -1.319 6.636 -14.835 1.00 0.00 C ATOM 1124 C HIS A 79 -2.773 6.964 -14.512 1.00 0.00 C ATOM 1125 O HIS A 79 -3.583 7.190 -15.412 1.00 0.00 O ATOM 1126 CB HIS A 79 -0.405 7.741 -14.302 1.00 0.00 C ATOM 1127 CG HIS A 79 1.048 7.494 -14.562 1.00 0.00 C ATOM 1128 ND1 HIS A 79 1.919 7.036 -13.596 1.00 0.00 N ATOM 1129 CD2 HIS A 79 1.784 7.642 -15.690 1.00 0.00 C ATOM 1130 CE1 HIS A 79 3.128 6.915 -14.117 1.00 0.00 C ATOM 1131 NE2 HIS A 79 3.072 7.275 -15.386 1.00 0.00 N ATOM 0 H HIS A 79 -0.591 7.216 -16.714 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.061 5.695 -14.350 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.691 8.689 -14.758 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.561 7.844 -13.228 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.425 7.985 -16.649 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.011 6.579 -13.594 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.858 7.280 -16.036 1.00 0.00 H new ATOM 1140 N LEU A 80 -3.098 6.987 -13.224 1.00 0.00 N ATOM 1141 CA LEU A 80 -4.455 7.287 -12.783 1.00 0.00 C ATOM 1142 C LEU A 80 -4.543 8.699 -12.213 1.00 0.00 C ATOM 1143 O LEU A 80 -3.561 9.232 -11.696 1.00 0.00 O ATOM 1144 CB LEU A 80 -4.909 6.272 -11.733 1.00 0.00 C ATOM 1145 CG LEU A 80 -4.942 4.819 -12.210 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -3.565 4.186 -12.085 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -5.971 4.023 -11.422 1.00 0.00 C ATOM 0 H LEU A 80 -2.440 6.801 -12.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.114 7.223 -13.649 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.244 6.341 -10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.906 6.549 -11.389 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.231 4.807 -13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.607 3.152 -12.429 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.852 4.742 -12.694 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.247 4.209 -11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.981 2.992 -11.775 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.713 4.042 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.958 4.464 -11.563 1.00 0.00 H new ATOM 1159 N TRP A 81 -5.725 9.297 -12.309 1.00 0.00 N ATOM 1160 CA TRP A 81 -5.942 10.647 -11.801 1.00 0.00 C ATOM 1161 C TRP A 81 -6.909 10.634 -10.622 1.00 0.00 C ATOM 1162 O TRP A 81 -7.818 9.806 -10.561 1.00 0.00 O ATOM 1163 CB TRP A 81 -6.482 11.551 -12.910 1.00 0.00 C ATOM 1164 CG TRP A 81 -7.864 11.183 -13.358 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -8.213 10.137 -14.163 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -9.082 11.860 -13.028 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -9.574 10.122 -14.353 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -10.129 11.170 -13.666 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -9.388 12.983 -12.254 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -11.460 11.566 -13.554 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -10.709 13.375 -12.143 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -11.730 12.668 -12.790 1.00 0.00 C ATOM 0 H TRP A 81 -6.548 8.869 -12.734 1.00 0.00 H new ATOM 0 HA TRP A 81 -4.984 11.039 -11.458 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -6.485 12.583 -12.558 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -5.807 11.507 -13.765 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -7.521 9.425 -14.588 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -10.087 9.442 -14.914 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -8.607 13.534 -11.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.250 11.023 -14.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.958 14.241 -11.547 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -12.752 13.000 -12.684 1.00 0.00 H new ATOM 1183 N CYS A 82 -6.706 11.555 -9.686 1.00 0.00 N ATOM 1184 CA CYS A 82 -7.559 11.648 -8.507 1.00 0.00 C ATOM 1185 C CYS A 82 -7.943 13.097 -8.225 1.00 0.00 C ATOM 1186 O CYS A 82 -7.200 14.022 -8.553 1.00 0.00 O ATOM 1187 CB CYS A 82 -6.849 11.049 -7.291 1.00 0.00 C ATOM 1188 SG CYS A 82 -7.529 11.589 -5.689 1.00 0.00 S ATOM 0 H CYS A 82 -5.958 12.248 -9.721 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.470 11.083 -8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.906 9.962 -7.350 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.793 11.315 -7.333 1.00 0.00 H new ATOM 1193 N SER A 83 -9.108 13.287 -7.614 1.00 0.00 N ATOM 1194 CA SER A 83 -9.590 14.624 -7.287 1.00 0.00 C ATOM 1195 C SER A 83 -9.091 15.060 -5.913 1.00 0.00 C ATOM 1196 O SER A 83 -9.172 14.305 -4.944 1.00 0.00 O ATOM 1197 CB SER A 83 -11.119 14.660 -7.322 1.00 0.00 C ATOM 1198 OG SER A 83 -11.608 15.946 -6.983 1.00 0.00 O ATOM 0 H SER A 83 -9.735 12.532 -7.336 1.00 0.00 H new ATOM 0 HA SER A 83 -9.200 15.317 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.469 14.385 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.519 13.921 -6.628 1.00 0.00 H new ATOM 0 HG SER A 83 -10.987 16.629 -7.312 1.00 0.00 H new ATOM 1204 N THR A 84 -8.575 16.282 -5.837 1.00 0.00 N ATOM 1205 CA THR A 84 -8.062 16.817 -4.582 1.00 0.00 C ATOM 1206 C THR A 84 -9.057 17.784 -3.949 1.00 0.00 C ATOM 1207 O THR A 84 -8.705 18.911 -3.600 1.00 0.00 O ATOM 1208 CB THR A 84 -6.719 17.542 -4.786 1.00 0.00 C ATOM 1209 OG1 THR A 84 -6.890 18.646 -5.683 1.00 0.00 O ATOM 1210 CG2 THR A 84 -5.670 16.591 -5.341 1.00 0.00 C ATOM 0 H THR A 84 -8.501 16.920 -6.629 1.00 0.00 H new ATOM 0 HA THR A 84 -7.910 15.968 -3.916 1.00 0.00 H new ATOM 0 HB THR A 84 -6.379 17.909 -3.818 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.075 19.191 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.730 17.125 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.521 15.766 -4.644 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.006 16.199 -6.301 1.00 0.00 H new ATOM 1218 N THR A 85 -10.300 17.337 -3.803 1.00 0.00 N ATOM 1219 CA THR A 85 -11.345 18.164 -3.211 1.00 0.00 C ATOM 1220 C THR A 85 -12.638 17.375 -3.035 1.00 0.00 C ATOM 1221 O THR A 85 -13.231 16.911 -4.008 1.00 0.00 O ATOM 1222 CB THR A 85 -11.629 19.410 -4.070 1.00 0.00 C ATOM 1223 OG1 THR A 85 -11.424 19.108 -5.455 1.00 0.00 O ATOM 1224 CG2 THR A 85 -10.729 20.565 -3.658 1.00 0.00 C ATOM 0 H THR A 85 -10.608 16.407 -4.086 1.00 0.00 H new ATOM 0 HA THR A 85 -10.981 18.481 -2.234 1.00 0.00 H new ATOM 0 HB THR A 85 -12.667 19.704 -3.914 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.203 19.400 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.947 21.435 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.909 20.811 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.686 20.278 -3.789 1.00 0.00 H new ATOM 1232 N SER A 86 -13.069 17.229 -1.786 1.00 0.00 N ATOM 1233 CA SER A 86 -14.292 16.497 -1.481 1.00 0.00 C ATOM 1234 C SER A 86 -15.349 16.732 -2.556 1.00 0.00 C ATOM 1235 O SER A 86 -15.976 15.790 -3.041 1.00 0.00 O ATOM 1236 CB SER A 86 -14.836 16.917 -0.115 1.00 0.00 C ATOM 1237 OG SER A 86 -15.996 17.720 -0.251 1.00 0.00 O ATOM 0 H SER A 86 -12.589 17.608 -0.969 1.00 0.00 H new ATOM 0 HA SER A 86 -14.053 15.434 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.071 16.031 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.070 17.469 0.431 1.00 0.00 H new ATOM 0 HG SER A 86 -16.639 17.269 -0.837 1.00 0.00 H new ATOM 1243 N ASN A 87 -15.540 17.995 -2.924 1.00 0.00 N ATOM 1244 CA ASN A 87 -16.520 18.355 -3.942 1.00 0.00 C ATOM 1245 C ASN A 87 -15.838 18.634 -5.277 1.00 0.00 C ATOM 1246 O ASN A 87 -15.669 19.788 -5.670 1.00 0.00 O ATOM 1247 CB ASN A 87 -17.320 19.581 -3.498 1.00 0.00 C ATOM 1248 CG ASN A 87 -17.810 19.465 -2.068 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -17.942 18.365 -1.531 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -18.082 20.605 -1.442 1.00 0.00 N ATOM 0 H ASN A 87 -15.029 18.786 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.201 17.513 -4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -16.699 20.471 -3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -18.174 19.714 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -18.415 20.591 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -17.958 21.495 -1.926 1.00 0.00 H new ATOM 1257 N TYR A 88 -15.450 17.569 -5.971 1.00 0.00 N ATOM 1258 CA TYR A 88 -14.786 17.698 -7.263 1.00 0.00 C ATOM 1259 C TYR A 88 -15.497 18.724 -8.140 1.00 0.00 C ATOM 1260 O TYR A 88 -14.864 19.613 -8.710 1.00 0.00 O ATOM 1261 CB TYR A 88 -14.743 16.344 -7.974 1.00 0.00 C ATOM 1262 CG TYR A 88 -14.239 16.423 -9.398 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -12.892 16.628 -9.668 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -15.111 16.291 -10.471 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -12.428 16.700 -10.967 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -14.654 16.362 -11.774 1.00 0.00 C ATOM 1267 CZ TYR A 88 -13.312 16.566 -12.016 1.00 0.00 C ATOM 1268 OH TYR A 88 -12.854 16.637 -13.312 1.00 0.00 O ATOM 0 H TYR A 88 -15.584 16.607 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.766 18.041 -7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.104 15.666 -7.408 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -15.744 15.912 -7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -12.196 16.733 -8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -16.163 16.130 -10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.378 16.861 -11.160 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -15.345 16.258 -12.598 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.187 15.867 -13.819 1.00 0.00 H new ATOM 1278 N GLU A 89 -16.815 18.594 -8.245 1.00 0.00 N ATOM 1279 CA GLU A 89 -17.612 19.510 -9.053 1.00 0.00 C ATOM 1280 C GLU A 89 -17.512 20.935 -8.519 1.00 0.00 C ATOM 1281 O GLU A 89 -17.917 21.888 -9.185 1.00 0.00 O ATOM 1282 CB GLU A 89 -19.075 19.063 -9.075 1.00 0.00 C ATOM 1283 CG GLU A 89 -19.331 17.866 -9.977 1.00 0.00 C ATOM 1284 CD GLU A 89 -20.571 18.036 -10.833 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -20.457 18.617 -11.933 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -21.655 17.588 -10.404 1.00 0.00 O ATOM 0 H GLU A 89 -17.354 17.863 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 89 -17.219 19.494 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.386 18.816 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.696 19.896 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.467 17.711 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.436 16.970 -9.365 1.00 0.00 H new ATOM 1293 N GLN A 90 -16.970 21.074 -7.314 1.00 0.00 N ATOM 1294 CA GLN A 90 -16.816 22.384 -6.691 1.00 0.00 C ATOM 1295 C GLN A 90 -15.428 22.955 -6.959 1.00 0.00 C ATOM 1296 O GLN A 90 -15.279 23.930 -7.696 1.00 0.00 O ATOM 1297 CB GLN A 90 -17.058 22.286 -5.183 1.00 0.00 C ATOM 1298 CG GLN A 90 -17.848 23.454 -4.617 1.00 0.00 C ATOM 1299 CD GLN A 90 -17.001 24.698 -4.437 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -15.813 24.615 -4.126 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -17.611 25.862 -4.631 1.00 0.00 N ATOM 0 H GLN A 90 -16.630 20.296 -6.749 1.00 0.00 H new ATOM 0 HA GLN A 90 -17.555 23.055 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -17.591 21.360 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.097 22.227 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -18.682 23.680 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -18.275 23.167 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -18.598 25.884 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -17.093 26.734 -4.523 1.00 0.00 H new ATOM 1310 N ASP A 91 -14.415 22.342 -6.357 1.00 0.00 N ATOM 1311 CA ASP A 91 -13.038 22.790 -6.531 1.00 0.00 C ATOM 1312 C ASP A 91 -12.488 22.346 -7.883 1.00 0.00 C ATOM 1313 O ASP A 91 -11.708 23.061 -8.511 1.00 0.00 O ATOM 1314 CB ASP A 91 -12.156 22.246 -5.405 1.00 0.00 C ATOM 1315 CG ASP A 91 -11.366 23.337 -4.711 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -11.846 24.490 -4.680 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -10.267 23.040 -4.197 1.00 0.00 O ATOM 0 H ASP A 91 -14.521 21.534 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.030 23.879 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.781 21.732 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.467 21.506 -5.812 1.00 0.00 H new ATOM 1322 N GLN A 92 -12.902 21.163 -8.324 1.00 0.00 N ATOM 1323 CA GLN A 92 -12.452 20.624 -9.602 1.00 0.00 C ATOM 1324 C GLN A 92 -10.969 20.271 -9.554 1.00 0.00 C ATOM 1325 O GLN A 92 -10.353 19.993 -10.583 1.00 0.00 O ATOM 1326 CB GLN A 92 -12.712 21.631 -10.724 1.00 0.00 C ATOM 1327 CG GLN A 92 -13.997 22.423 -10.545 1.00 0.00 C ATOM 1328 CD GLN A 92 -15.174 21.793 -11.263 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -15.128 20.477 -11.435 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 -16.116 22.482 -11.658 1.00 0.00 N flip ATOM 0 H GLN A 92 -13.548 20.559 -7.816 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.017 19.713 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.873 22.324 -10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.752 21.100 -11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.225 22.503 -9.482 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.849 23.437 -10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.110 23.490 -11.504 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.902 22.044 -12.139 1.00 0.00 H new ATOM 1339 N LYS A 93 -10.400 20.283 -8.353 1.00 0.00 N ATOM 1340 CA LYS A 93 -8.989 19.963 -8.172 1.00 0.00 C ATOM 1341 C LYS A 93 -8.746 18.466 -8.334 1.00 0.00 C ATOM 1342 O LYS A 93 -9.643 17.654 -8.105 1.00 0.00 O ATOM 1343 CB LYS A 93 -8.511 20.423 -6.794 1.00 0.00 C ATOM 1344 CG LYS A 93 -8.928 21.843 -6.449 1.00 0.00 C ATOM 1345 CD LYS A 93 -8.010 22.867 -7.097 1.00 0.00 C ATOM 1346 CE LYS A 93 -8.418 24.287 -6.741 1.00 0.00 C ATOM 1347 NZ LYS A 93 -7.407 25.284 -7.187 1.00 0.00 N ATOM 0 H LYS A 93 -10.895 20.511 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.422 20.491 -8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.903 19.744 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.424 20.352 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -9.953 22.012 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.915 21.974 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.983 22.691 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.031 22.742 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.380 24.514 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.554 24.366 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.723 26.240 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.495 25.083 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.295 25.227 -8.219 1.00 0.00 H new ATOM 1361 N TYR A 94 -7.530 18.107 -8.731 1.00 0.00 N ATOM 1362 CA TYR A 94 -7.172 16.706 -8.924 1.00 0.00 C ATOM 1363 C TYR A 94 -5.659 16.538 -9.015 1.00 0.00 C ATOM 1364 O TYR A 94 -4.910 17.513 -8.954 1.00 0.00 O ATOM 1365 CB TYR A 94 -7.834 16.160 -10.190 1.00 0.00 C ATOM 1366 CG TYR A 94 -7.451 16.911 -11.445 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -6.204 16.735 -12.030 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -8.338 17.796 -12.045 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -5.850 17.420 -13.176 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -7.992 18.485 -13.192 1.00 0.00 C ATOM 1371 CZ TYR A 94 -6.747 18.294 -13.754 1.00 0.00 C ATOM 1372 OH TYR A 94 -6.399 18.978 -14.896 1.00 0.00 O ATOM 0 H TYR A 94 -6.776 18.766 -8.925 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.530 16.143 -8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.564 15.111 -10.308 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.917 16.199 -10.070 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.499 16.051 -11.581 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.314 17.948 -11.608 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.875 17.272 -13.617 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.693 19.170 -13.646 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.144 19.551 -15.174 1.00 0.00 H new ATOM 1382 N SER A 95 -5.216 15.293 -9.162 1.00 0.00 N ATOM 1383 CA SER A 95 -3.793 14.993 -9.263 1.00 0.00 C ATOM 1384 C SER A 95 -3.571 13.608 -9.862 1.00 0.00 C ATOM 1385 O SER A 95 -4.317 12.672 -9.577 1.00 0.00 O ATOM 1386 CB SER A 95 -3.133 15.077 -7.885 1.00 0.00 C ATOM 1387 OG SER A 95 -2.948 16.425 -7.489 1.00 0.00 O ATOM 0 H SER A 95 -5.823 14.475 -9.214 1.00 0.00 H new ATOM 0 HA SER A 95 -3.337 15.732 -9.922 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.751 14.561 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.170 14.566 -7.908 1.00 0.00 H new ATOM 0 HG SER A 95 -3.303 17.021 -8.181 1.00 0.00 H new ATOM 1393 N PHE A 96 -2.543 13.486 -10.695 1.00 0.00 N ATOM 1394 CA PHE A 96 -2.226 12.215 -11.335 1.00 0.00 C ATOM 1395 C PHE A 96 -1.383 11.337 -10.416 1.00 0.00 C ATOM 1396 O PHE A 96 -0.242 11.669 -10.098 1.00 0.00 O ATOM 1397 CB PHE A 96 -1.483 12.454 -12.651 1.00 0.00 C ATOM 1398 CG PHE A 96 -1.787 13.783 -13.280 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -3.081 14.108 -13.655 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -0.778 14.709 -13.497 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -3.363 15.331 -14.234 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -1.055 15.933 -14.075 1.00 0.00 C ATOM 1403 CZ PHE A 96 -2.349 16.244 -14.444 1.00 0.00 C ATOM 0 H PHE A 96 -1.916 14.251 -10.942 1.00 0.00 H new ATOM 0 HA PHE A 96 -3.163 11.699 -11.542 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -0.410 12.384 -12.471 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -1.741 11.661 -13.353 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -3.878 13.398 -13.493 1.00 0.00 H new ATOM 0 HD2 PHE A 96 0.236 14.471 -13.211 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.376 15.572 -14.522 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -0.260 16.646 -14.238 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.567 17.200 -14.896 1.00 0.00 H new ATOM 1413 N CYS A 97 -1.954 10.213 -9.994 1.00 0.00 N ATOM 1414 CA CYS A 97 -1.254 9.285 -9.113 1.00 0.00 C ATOM 1415 C CYS A 97 -0.199 8.497 -9.883 1.00 0.00 C ATOM 1416 O CYS A 97 -0.115 8.589 -11.108 1.00 0.00 O ATOM 1417 CB CYS A 97 -2.247 8.324 -8.456 1.00 0.00 C ATOM 1418 SG CYS A 97 -3.869 9.067 -8.087 1.00 0.00 S ATOM 0 H CYS A 97 -2.898 9.923 -10.248 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.755 9.865 -8.337 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.393 7.466 -9.112 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -1.813 7.947 -7.530 1.00 0.00 H new ATOM 1423 N THR A 98 0.603 7.724 -9.159 1.00 0.00 N ATOM 1424 CA THR A 98 1.651 6.921 -9.779 1.00 0.00 C ATOM 1425 C THR A 98 1.344 5.434 -9.668 1.00 0.00 C ATOM 1426 O THR A 98 1.201 4.900 -8.568 1.00 0.00 O ATOM 1427 CB THR A 98 3.024 7.196 -9.143 1.00 0.00 C ATOM 1428 OG1 THR A 98 3.339 6.170 -8.194 1.00 0.00 O ATOM 1429 CG2 THR A 98 3.039 8.552 -8.454 1.00 0.00 C ATOM 0 H THR A 98 0.548 7.636 -8.144 1.00 0.00 H new ATOM 0 HA THR A 98 1.683 7.206 -10.830 1.00 0.00 H new ATOM 0 HB THR A 98 3.773 7.200 -9.935 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.215 6.352 -7.795 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.020 8.724 -8.012 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.828 9.333 -9.184 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.280 8.571 -7.672 1.00 0.00 H new ATOM 1481 N VAL A 102 1.356 0.564 -4.640 1.00 0.00 N ATOM 1482 CA VAL A 102 1.413 -0.891 -4.554 1.00 0.00 C ATOM 1483 C VAL A 102 1.526 -1.349 -3.105 1.00 0.00 C ATOM 1484 O VAL A 102 2.452 -0.962 -2.392 1.00 0.00 O ATOM 1485 CB VAL A 102 2.602 -1.457 -5.353 1.00 0.00 C ATOM 1486 CG1 VAL A 102 2.248 -2.810 -5.951 1.00 0.00 C ATOM 1487 CG2 VAL A 102 3.033 -0.482 -6.438 1.00 0.00 C ATOM 0 HA VAL A 102 0.485 -1.270 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 102 3.440 -1.595 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.100 -3.194 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.996 -3.507 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.394 -2.700 -6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.874 -0.901 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.202 -0.307 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.333 0.461 -5.981 1.00 0.00 H new ATOM 1497 N LEU A 103 0.578 -2.175 -2.674 1.00 0.00 N ATOM 1498 CA LEU A 103 0.573 -2.684 -1.308 1.00 0.00 C ATOM 1499 C LEU A 103 0.193 -4.158 -1.277 1.00 0.00 C ATOM 1500 O LEU A 103 -0.944 -4.526 -1.576 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.394 -1.877 -0.442 1.00 0.00 C ATOM 1502 CG LEU A 103 -0.577 -0.422 -0.870 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.023 0.010 -0.685 1.00 0.00 C ATOM 1504 CD2 LEU A 103 0.359 0.487 -0.090 1.00 0.00 C ATOM 0 H LEU A 103 -0.196 -2.506 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 103 1.581 -2.580 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.367 -2.369 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.039 -1.896 0.588 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.328 -0.341 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.135 1.049 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.672 -0.621 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.300 -0.087 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.214 1.519 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.144 0.403 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.392 0.192 -0.276 1.00 0.00 H new ATOM 1516 N VAL A 104 1.153 -4.995 -0.911 1.00 0.00 N ATOM 1517 CA VAL A 104 0.930 -6.433 -0.834 1.00 0.00 C ATOM 1518 C VAL A 104 0.518 -6.838 0.579 1.00 0.00 C ATOM 1519 O VAL A 104 0.961 -6.240 1.557 1.00 0.00 O ATOM 1520 CB VAL A 104 2.195 -7.216 -1.254 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.214 -8.615 -0.648 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.293 -7.289 -2.768 1.00 0.00 C ATOM 0 H VAL A 104 2.098 -4.702 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 104 0.124 -6.680 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 104 3.062 -6.679 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.117 -9.136 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.200 -8.541 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.338 -9.169 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.189 -7.843 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.414 -7.796 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.347 -6.281 -3.178 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.328 -7.858 0.674 1.00 0.00 N ATOM 1533 CA GLN A 105 -0.796 -8.345 1.967 1.00 0.00 C ATOM 1534 C GLN A 105 -0.466 -9.825 2.140 1.00 0.00 C ATOM 1535 O GLN A 105 -1.277 -10.693 1.819 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.304 -8.128 2.102 1.00 0.00 C ATOM 1537 CG GLN A 105 -2.714 -7.513 3.431 1.00 0.00 C ATOM 1538 CD GLN A 105 -3.258 -8.540 4.405 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -2.740 -9.652 4.506 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -4.308 -8.170 5.129 1.00 0.00 N ATOM 0 H GLN A 105 -0.704 -8.364 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.284 -7.782 2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.644 -7.482 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.813 -9.085 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.854 -7.014 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.470 -6.748 3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.705 -7.238 5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.717 -8.818 5.802 1.00 0.00 H new ATOM 1549 N THR A 106 0.731 -10.104 2.646 1.00 0.00 N ATOM 1550 CA THR A 106 1.168 -11.479 2.859 1.00 0.00 C ATOM 1551 C THR A 106 0.711 -12.002 4.215 1.00 0.00 C ATOM 1552 O THR A 106 0.282 -11.235 5.076 1.00 0.00 O ATOM 1553 CB THR A 106 2.700 -11.601 2.769 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.309 -10.999 3.918 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.223 -10.935 1.506 1.00 0.00 C ATOM 0 H THR A 106 1.415 -9.397 2.916 1.00 0.00 H new ATOM 0 HA THR A 106 0.713 -12.078 2.070 1.00 0.00 H new ATOM 0 HB THR A 106 2.956 -12.660 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.838 -10.169 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.308 -11.034 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.781 -11.414 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.955 -9.878 1.514 1.00 0.00 H new ATOM 1563 N ARG A 107 0.808 -13.315 4.398 1.00 0.00 N ATOM 1564 CA ARG A 107 0.407 -13.945 5.650 1.00 0.00 C ATOM 1565 C ARG A 107 1.079 -15.305 5.814 1.00 0.00 C ATOM 1566 O ARG A 107 1.676 -15.830 4.875 1.00 0.00 O ATOM 1567 CB ARG A 107 -1.114 -14.105 5.701 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.696 -13.947 7.096 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.885 -14.868 7.312 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.586 -16.246 6.934 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.482 -17.227 6.958 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -4.728 -16.981 7.339 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -3.133 -18.456 6.600 1.00 0.00 N ATOM 0 H ARG A 107 1.161 -13.963 3.694 1.00 0.00 H new ATOM 0 HA ARG A 107 0.725 -13.301 6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.571 -13.368 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.381 -15.089 5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.928 -14.163 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.004 -12.912 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.182 -14.836 8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.733 -14.508 6.729 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.637 -16.468 6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.000 -16.037 7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.414 -17.735 7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.176 -18.649 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.822 -19.208 6.619 1.00 0.00 H new ATOM 1587 N GLY A 108 0.977 -15.869 7.013 1.00 0.00 N ATOM 1588 CA GLY A 108 1.579 -17.162 7.278 1.00 0.00 C ATOM 1589 C GLY A 108 3.080 -17.073 7.474 1.00 0.00 C ATOM 1590 O GLY A 108 3.757 -16.302 6.793 1.00 0.00 O ATOM 0 H GLY A 108 0.488 -15.453 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.124 -17.595 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.363 -17.837 6.450 1.00 0.00 H new ATOM 1594 N GLY A 109 3.601 -17.864 8.406 1.00 0.00 N ATOM 1595 CA GLY A 109 5.028 -17.857 8.672 1.00 0.00 C ATOM 1596 C GLY A 109 5.395 -16.966 9.842 1.00 0.00 C ATOM 1597 O GLY A 109 5.548 -17.440 10.968 1.00 0.00 O ATOM 0 H GLY A 109 3.061 -18.510 8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.362 -18.875 8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.559 -17.520 7.782 1.00 0.00 H new ATOM 1601 N ASN A 110 5.536 -15.672 9.576 1.00 0.00 N ATOM 1602 CA ASN A 110 5.888 -14.712 10.616 1.00 0.00 C ATOM 1603 C ASN A 110 5.141 -13.397 10.417 1.00 0.00 C ATOM 1604 O ASN A 110 4.669 -12.788 11.378 1.00 0.00 O ATOM 1605 CB ASN A 110 7.397 -14.459 10.617 1.00 0.00 C ATOM 1606 CG ASN A 110 8.198 -15.741 10.509 1.00 0.00 C ATOM 1607 OD1 ASN A 110 8.081 -16.633 11.349 1.00 0.00 O ATOM 1608 ND2 ASN A 110 9.020 -15.840 9.470 1.00 0.00 N ATOM 0 H ASN A 110 5.412 -15.264 8.650 1.00 0.00 H new ATOM 0 HA ASN A 110 5.597 -15.133 11.578 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.653 -13.803 9.785 1.00 0.00 H new ATOM 0 HB3 ASN A 110 7.674 -13.937 11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.585 -16.680 9.345 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.086 -15.076 8.797 1.00 0.00 H new ATOM 1615 N SER A 111 5.037 -12.965 9.165 1.00 0.00 N ATOM 1616 CA SER A 111 4.347 -11.722 8.840 1.00 0.00 C ATOM 1617 C SER A 111 2.835 -11.899 8.935 1.00 0.00 C ATOM 1618 O SER A 111 2.114 -11.698 7.958 1.00 0.00 O ATOM 1619 CB SER A 111 4.729 -11.256 7.434 1.00 0.00 C ATOM 1620 OG SER A 111 4.771 -12.345 6.529 1.00 0.00 O ATOM 0 H SER A 111 5.422 -13.457 8.359 1.00 0.00 H new ATOM 0 HA SER A 111 4.653 -10.965 9.563 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.009 -10.516 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.702 -10.765 7.462 1.00 0.00 H new ATOM 0 HG SER A 111 5.510 -12.942 6.770 1.00 0.00 H new ATOM 1626 N ASN A 112 2.362 -12.278 10.119 1.00 0.00 N ATOM 1627 CA ASN A 112 0.936 -12.484 10.345 1.00 0.00 C ATOM 1628 C ASN A 112 0.112 -11.413 9.637 1.00 0.00 C ATOM 1629 O ASN A 112 -0.167 -10.357 10.203 1.00 0.00 O ATOM 1630 CB ASN A 112 0.630 -12.470 11.843 1.00 0.00 C ATOM 1631 CG ASN A 112 1.001 -11.154 12.497 1.00 0.00 C ATOM 1632 OD1 ASN A 112 1.495 -10.238 11.840 1.00 0.00 O ATOM 1633 ND2 ASN A 112 0.764 -11.053 13.800 1.00 0.00 N ATOM 0 H ASN A 112 2.947 -12.449 10.937 1.00 0.00 H new ATOM 0 HA ASN A 112 0.665 -13.456 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.432 -12.662 11.996 1.00 0.00 H new ATOM 0 HB3 ASN A 112 1.173 -13.280 12.329 1.00 0.00 H new ATOM 0 HD21 ASN A 112 0.993 -10.191 14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.353 -11.838 14.306 1.00 0.00 H new ATOM 1640 N GLY A 113 -0.275 -11.693 8.398 1.00 0.00 N ATOM 1641 CA GLY A 113 -1.062 -10.742 7.636 1.00 0.00 C ATOM 1642 C GLY A 113 -0.448 -9.356 7.636 1.00 0.00 C ATOM 1643 O GLY A 113 -1.076 -8.392 8.073 1.00 0.00 O ATOM 0 H GLY A 113 -0.058 -12.561 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.159 -11.094 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.068 -10.691 8.052 1.00 0.00 H new ATOM 1647 N ALA A 114 0.784 -9.255 7.146 1.00 0.00 N ATOM 1648 CA ALA A 114 1.483 -7.977 7.095 1.00 0.00 C ATOM 1649 C ALA A 114 1.525 -7.430 5.675 1.00 0.00 C ATOM 1650 O ALA A 114 1.892 -8.136 4.736 1.00 0.00 O ATOM 1651 CB ALA A 114 2.892 -8.124 7.648 1.00 0.00 C ATOM 0 H ALA A 114 1.318 -10.043 6.779 1.00 0.00 H new ATOM 0 HA ALA A 114 0.934 -7.267 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.402 -7.162 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.843 -8.462 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.442 -8.854 7.054 1.00 0.00 H new ATOM 1657 N LEU A 115 1.147 -6.165 5.525 1.00 0.00 N ATOM 1658 CA LEU A 115 1.143 -5.521 4.218 1.00 0.00 C ATOM 1659 C LEU A 115 2.547 -5.504 3.622 1.00 0.00 C ATOM 1660 O LEU A 115 3.281 -4.526 3.767 1.00 0.00 O ATOM 1661 CB LEU A 115 0.605 -4.093 4.330 1.00 0.00 C ATOM 1662 CG LEU A 115 0.550 -3.317 3.012 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.315 -4.050 1.997 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.025 -1.909 3.244 1.00 0.00 C ATOM 0 H LEU A 115 0.840 -5.567 6.292 1.00 0.00 H new ATOM 0 HA LEU A 115 0.492 -6.094 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.398 -4.131 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.227 -3.540 5.034 1.00 0.00 H new ATOM 0 HG LEU A 115 1.562 -3.245 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.343 -3.484 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.104 -5.038 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.327 -4.154 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.007 -1.372 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.978 -1.960 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.684 -1.384 3.936 1.00 0.00 H new ATOM 1676 N CYS A 116 2.917 -6.591 2.952 1.00 0.00 N ATOM 1677 CA CYS A 116 4.235 -6.696 2.337 1.00 0.00 C ATOM 1678 C CYS A 116 4.586 -5.415 1.589 1.00 0.00 C ATOM 1679 O CYS A 116 3.760 -4.861 0.861 1.00 0.00 O ATOM 1680 CB CYS A 116 4.285 -7.890 1.383 1.00 0.00 C ATOM 1681 SG CYS A 116 5.915 -8.698 1.277 1.00 0.00 S ATOM 0 H CYS A 116 2.323 -7.410 2.821 1.00 0.00 H new ATOM 0 HA CYS A 116 4.968 -6.846 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.548 -8.626 1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 116 3.992 -7.557 0.387 1.00 0.00 H new ATOM 1686 N HIS A 117 5.816 -4.950 1.776 1.00 0.00 N ATOM 1687 CA HIS A 117 6.282 -3.732 1.124 1.00 0.00 C ATOM 1688 C HIS A 117 7.015 -4.055 -0.174 1.00 0.00 C ATOM 1689 O HIS A 117 8.010 -4.780 -0.173 1.00 0.00 O ATOM 1690 CB HIS A 117 7.200 -2.946 2.062 1.00 0.00 C ATOM 1691 CG HIS A 117 8.032 -1.916 1.364 1.00 0.00 C ATOM 1692 ND1 HIS A 117 7.674 -1.347 0.160 1.00 0.00 N ATOM 1693 CD2 HIS A 117 9.214 -1.350 1.708 1.00 0.00 C ATOM 1694 CE1 HIS A 117 8.599 -0.477 -0.206 1.00 0.00 C ATOM 1695 NE2 HIS A 117 9.543 -0.460 0.716 1.00 0.00 N ATOM 0 H HIS A 117 6.509 -5.399 2.375 1.00 0.00 H new ATOM 0 HA HIS A 117 5.411 -3.122 0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.593 -2.456 2.823 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.859 -3.643 2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.790 -1.560 2.597 1.00 0.00 H new ATOM 0 HE1 HIS A 117 8.585 0.119 -1.107 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.381 0.121 0.695 1.00 0.00 H new ATOM 1704 N PHE A 118 6.515 -3.512 -1.278 1.00 0.00 N ATOM 1705 CA PHE A 118 7.120 -3.741 -2.584 1.00 0.00 C ATOM 1706 C PHE A 118 7.602 -2.428 -3.197 1.00 0.00 C ATOM 1707 O PHE A 118 6.860 -1.447 -3.245 1.00 0.00 O ATOM 1708 CB PHE A 118 6.113 -4.410 -3.521 1.00 0.00 C ATOM 1709 CG PHE A 118 6.131 -5.911 -3.456 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.099 -6.635 -4.132 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.175 -6.598 -2.724 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.115 -8.015 -4.078 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.185 -7.979 -2.668 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.157 -8.687 -3.346 1.00 0.00 C ATOM 0 H PHE A 118 5.692 -2.910 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 118 7.979 -4.398 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.112 -4.057 -3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.319 -4.097 -4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.850 -6.115 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.414 -6.048 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.876 -8.568 -4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.434 -8.503 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.168 -9.766 -3.304 1.00 0.00 H new ATOM 1724 N PRO A 119 8.857 -2.392 -3.675 1.00 0.00 N ATOM 1725 CA PRO A 119 9.767 -3.539 -3.634 1.00 0.00 C ATOM 1726 C PRO A 119 10.247 -3.842 -2.218 1.00 0.00 C ATOM 1727 O PRO A 119 9.811 -3.211 -1.256 1.00 0.00 O ATOM 1728 CB PRO A 119 10.956 -3.110 -4.515 1.00 0.00 C ATOM 1729 CG PRO A 119 10.490 -1.870 -5.210 1.00 0.00 C ATOM 1730 CD PRO A 119 9.490 -1.230 -4.296 1.00 0.00 C ATOM 0 HA PRO A 119 9.277 -4.449 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.844 -2.916 -3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.219 -3.889 -5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.324 -1.197 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.040 -2.109 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 119 9.966 -0.583 -3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.772 -0.618 -4.842 1.00 0.00 H new ATOM 1738 N PHE A 120 11.151 -4.810 -2.101 1.00 0.00 N ATOM 1739 CA PHE A 120 11.697 -5.195 -0.805 1.00 0.00 C ATOM 1740 C PHE A 120 13.123 -5.716 -0.953 1.00 0.00 C ATOM 1741 O PHE A 120 13.391 -6.593 -1.774 1.00 0.00 O ATOM 1742 CB PHE A 120 10.816 -6.262 -0.151 1.00 0.00 C ATOM 1743 CG PHE A 120 10.805 -7.569 -0.891 1.00 0.00 C ATOM 1744 CD1 PHE A 120 9.933 -7.773 -1.948 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.666 -8.592 -0.529 1.00 0.00 C ATOM 1746 CE1 PHE A 120 9.920 -8.974 -2.631 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.657 -9.796 -1.209 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.783 -9.987 -2.261 1.00 0.00 C ATOM 0 H PHE A 120 11.521 -5.342 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 120 11.714 -4.311 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.164 -6.434 0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 120 9.796 -5.885 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.256 -6.984 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.352 -8.448 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.236 -9.121 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.333 -10.586 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.774 -10.927 -2.793 1.00 0.00 H new ATOM 1758 N LEU A 121 14.036 -5.168 -0.157 1.00 0.00 N ATOM 1759 CA LEU A 121 15.435 -5.579 -0.208 1.00 0.00 C ATOM 1760 C LEU A 121 15.602 -7.022 0.250 1.00 0.00 C ATOM 1761 O LEU A 121 14.817 -7.530 1.051 1.00 0.00 O ATOM 1762 CB LEU A 121 16.298 -4.672 0.668 1.00 0.00 C ATOM 1763 CG LEU A 121 17.774 -4.594 0.273 1.00 0.00 C ATOM 1764 CD1 LEU A 121 17.975 -3.626 -0.881 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.616 -4.182 1.471 1.00 0.00 C ATOM 0 H LEU A 121 13.833 -4.441 0.529 1.00 0.00 H new ATOM 0 HA LEU A 121 15.760 -5.497 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.879 -3.666 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.233 -5.021 1.699 1.00 0.00 H new ATOM 0 HG LEU A 121 18.096 -5.582 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.032 -3.588 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.399 -3.963 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.638 -2.632 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.665 -4.130 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 121 18.289 -3.205 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.498 -4.916 2.268 1.00 0.00 H new ATOM 1777 N TYR A 122 16.644 -7.663 -0.257 1.00 0.00 N ATOM 1778 CA TYR A 122 16.953 -9.043 0.094 1.00 0.00 C ATOM 1779 C TYR A 122 18.455 -9.280 0.004 1.00 0.00 C ATOM 1780 O TYR A 122 19.033 -9.239 -1.082 1.00 0.00 O ATOM 1781 CB TYR A 122 16.216 -10.017 -0.827 1.00 0.00 C ATOM 1782 CG TYR A 122 16.551 -11.467 -0.555 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.831 -11.958 -0.783 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.590 -12.343 -0.066 1.00 0.00 C ATOM 1785 CE1 TYR A 122 18.144 -13.280 -0.531 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.896 -13.667 0.189 1.00 0.00 C ATOM 1787 CZ TYR A 122 17.173 -14.130 -0.045 1.00 0.00 C ATOM 1788 OH TYR A 122 17.481 -15.447 0.208 1.00 0.00 O ATOM 0 H TYR A 122 17.297 -7.245 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 122 16.621 -9.219 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.142 -9.872 -0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.461 -9.783 -1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 122 18.594 -11.295 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.588 -11.984 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 122 19.144 -13.646 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.138 -14.335 0.570 1.00 0.00 H new ATOM 0 HH TYR A 122 18.143 -15.759 -0.443 1.00 0.00 H new ATOM 1798 N ASN A 123 19.086 -9.518 1.147 1.00 0.00 N ATOM 1799 CA ASN A 123 20.524 -9.749 1.180 1.00 0.00 C ATOM 1800 C ASN A 123 21.259 -8.598 0.501 1.00 0.00 C ATOM 1801 O ASN A 123 22.409 -8.741 0.086 1.00 0.00 O ATOM 1802 CB ASN A 123 20.867 -11.070 0.489 1.00 0.00 C ATOM 1803 CG ASN A 123 21.793 -11.934 1.322 1.00 0.00 C ATOM 1804 OD1 ASN A 123 22.040 -11.650 2.494 1.00 0.00 O ATOM 1805 ND2 ASN A 123 22.313 -12.997 0.719 1.00 0.00 N ATOM 0 H ASN A 123 18.628 -9.556 2.058 1.00 0.00 H new ATOM 0 HA ASN A 123 20.842 -9.805 2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.948 -11.619 0.284 1.00 0.00 H new ATOM 0 HB3 ASN A 123 21.335 -10.863 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 123 22.944 -13.615 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 123 22.081 -13.195 -0.254 1.00 0.00 H new ATOM 1812 N ASN A 124 20.577 -7.459 0.388 1.00 0.00 N ATOM 1813 CA ASN A 124 21.143 -6.270 -0.243 1.00 0.00 C ATOM 1814 C ASN A 124 20.846 -6.259 -1.741 1.00 0.00 C ATOM 1815 O ASN A 124 21.612 -5.710 -2.533 1.00 0.00 O ATOM 1816 CB ASN A 124 22.654 -6.186 0.013 1.00 0.00 C ATOM 1817 CG ASN A 124 23.489 -6.763 -1.118 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.027 -7.621 -1.870 1.00 0.00 O ATOM 1819 ND2 ASN A 124 24.725 -6.294 -1.240 1.00 0.00 N ATOM 0 H ASN A 124 19.624 -7.336 0.729 1.00 0.00 H new ATOM 0 HA ASN A 124 20.674 -5.393 0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 124 22.932 -5.143 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 124 22.889 -6.716 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 124 25.333 -6.645 -1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 124 25.067 -5.582 -0.594 1.00 0.00 H new ATOM 1826 N HIS A 125 19.727 -6.868 -2.119 1.00 0.00 N ATOM 1827 CA HIS A 125 19.323 -6.930 -3.519 1.00 0.00 C ATOM 1828 C HIS A 125 17.893 -6.427 -3.691 1.00 0.00 C ATOM 1829 O HIS A 125 16.951 -7.011 -3.156 1.00 0.00 O ATOM 1830 CB HIS A 125 19.440 -8.362 -4.043 1.00 0.00 C ATOM 1831 CG HIS A 125 20.249 -8.476 -5.297 1.00 0.00 C ATOM 1832 ND1 HIS A 125 20.717 -9.679 -5.784 1.00 0.00 N ATOM 1833 CD2 HIS A 125 20.674 -7.529 -6.168 1.00 0.00 C ATOM 1834 CE1 HIS A 125 21.395 -9.466 -6.899 1.00 0.00 C ATOM 1835 NE2 HIS A 125 21.383 -8.171 -7.153 1.00 0.00 N ATOM 0 H HIS A 125 19.083 -7.326 -1.474 1.00 0.00 H new ATOM 0 HA HIS A 125 19.989 -6.287 -4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 125 19.890 -8.987 -3.272 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.440 -8.755 -4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 125 20.489 -6.467 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 125 21.877 -10.223 -7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 125 21.828 -7.720 -7.952 1.00 0.00 H new ATOM 1844 N ASN A 126 17.740 -5.340 -4.439 1.00 0.00 N ATOM 1845 CA ASN A 126 16.425 -4.757 -4.680 1.00 0.00 C ATOM 1846 C ASN A 126 15.497 -5.762 -5.355 1.00 0.00 C ATOM 1847 O ASN A 126 15.715 -6.149 -6.503 1.00 0.00 O ATOM 1848 CB ASN A 126 16.551 -3.501 -5.544 1.00 0.00 C ATOM 1849 CG ASN A 126 16.407 -2.226 -4.737 1.00 0.00 C ATOM 1850 OD1 ASN A 126 15.374 -1.558 -4.795 1.00 0.00 O ATOM 1851 ND2 ASN A 126 17.445 -1.886 -3.981 1.00 0.00 N ATOM 0 H ASN A 126 18.510 -4.845 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 126 15.995 -4.485 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 126 17.519 -3.503 -6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 126 15.789 -3.522 -6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 126 17.408 -1.038 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 126 18.279 -2.473 -3.967 1.00 0.00 H new ATOM 1857 N TYR A 127 14.460 -6.178 -4.636 1.00 0.00 N ATOM 1858 CA TYR A 127 13.497 -7.136 -5.165 1.00 0.00 C ATOM 1859 C TYR A 127 12.114 -6.504 -5.283 1.00 0.00 C ATOM 1860 O TYR A 127 11.679 -5.769 -4.397 1.00 0.00 O ATOM 1861 CB TYR A 127 13.430 -8.374 -4.268 1.00 0.00 C ATOM 1862 CG TYR A 127 14.302 -9.515 -4.743 1.00 0.00 C ATOM 1863 CD1 TYR A 127 15.638 -9.594 -4.372 1.00 0.00 C ATOM 1864 CD2 TYR A 127 13.788 -10.513 -5.561 1.00 0.00 C ATOM 1865 CE1 TYR A 127 16.438 -10.635 -4.804 1.00 0.00 C ATOM 1866 CE2 TYR A 127 14.581 -11.557 -5.997 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.905 -11.613 -5.615 1.00 0.00 C ATOM 1868 OH TYR A 127 16.698 -12.652 -6.047 1.00 0.00 O ATOM 0 H TYR A 127 14.265 -5.866 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 127 13.828 -7.436 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.729 -8.096 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.397 -8.716 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 127 16.059 -8.830 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.751 -10.472 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 127 17.475 -10.682 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 127 14.166 -12.325 -6.633 1.00 0.00 H new ATOM 0 HH TYR A 127 16.169 -13.255 -6.609 1.00 0.00 H new ATOM 1878 N THR A 128 11.427 -6.793 -6.384 1.00 0.00 N ATOM 1879 CA THR A 128 10.094 -6.250 -6.615 1.00 0.00 C ATOM 1880 C THR A 128 9.113 -7.344 -7.022 1.00 0.00 C ATOM 1881 O THR A 128 8.294 -7.153 -7.921 1.00 0.00 O ATOM 1882 CB THR A 128 10.112 -5.162 -7.705 1.00 0.00 C ATOM 1883 OG1 THR A 128 11.405 -4.548 -7.764 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.055 -4.103 -7.431 1.00 0.00 C ATOM 0 H THR A 128 11.771 -7.399 -7.129 1.00 0.00 H new ATOM 0 HA THR A 128 9.768 -5.808 -5.674 1.00 0.00 H new ATOM 0 HB THR A 128 9.891 -5.635 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.408 -3.859 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.087 -3.346 -8.214 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.069 -4.568 -7.416 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.250 -3.635 -6.466 1.00 0.00 H new ATOM 1892 N ASP A 129 9.198 -8.489 -6.354 1.00 0.00 N ATOM 1893 CA ASP A 129 8.313 -9.610 -6.646 1.00 0.00 C ATOM 1894 C ASP A 129 8.454 -10.705 -5.597 1.00 0.00 C ATOM 1895 O ASP A 129 9.557 -11.008 -5.142 1.00 0.00 O ATOM 1896 CB ASP A 129 8.610 -10.175 -8.036 1.00 0.00 C ATOM 1897 CG ASP A 129 10.015 -10.733 -8.146 1.00 0.00 C ATOM 1898 OD1 ASP A 129 10.228 -11.892 -7.732 1.00 0.00 O ATOM 1899 OD2 ASP A 129 10.903 -10.011 -8.647 1.00 0.00 O ATOM 0 H ASP A 129 9.870 -8.665 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 129 7.287 -9.243 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.891 -10.961 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.474 -9.390 -8.780 1.00 0.00 H new ATOM 1904 N CYS A 130 7.326 -11.294 -5.216 1.00 0.00 N ATOM 1905 CA CYS A 130 7.315 -12.357 -4.219 1.00 0.00 C ATOM 1906 C CYS A 130 8.359 -13.419 -4.545 1.00 0.00 C ATOM 1907 O CYS A 130 8.060 -14.418 -5.200 1.00 0.00 O ATOM 1908 CB CYS A 130 5.927 -12.994 -4.140 1.00 0.00 C ATOM 1909 SG CYS A 130 4.554 -11.798 -4.211 1.00 0.00 S ATOM 0 H CYS A 130 6.406 -11.052 -5.584 1.00 0.00 H new ATOM 0 HA CYS A 130 7.561 -11.918 -3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.818 -13.705 -4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.852 -13.562 -3.213 1.00 0.00 H new ATOM 1914 N THR A 131 9.584 -13.196 -4.085 1.00 0.00 N ATOM 1915 CA THR A 131 10.674 -14.132 -4.327 1.00 0.00 C ATOM 1916 C THR A 131 10.541 -15.370 -3.446 1.00 0.00 C ATOM 1917 O THR A 131 10.005 -15.302 -2.340 1.00 0.00 O ATOM 1918 CB THR A 131 12.045 -13.479 -4.069 1.00 0.00 C ATOM 1919 OG1 THR A 131 13.094 -14.348 -4.510 1.00 0.00 O ATOM 1920 CG2 THR A 131 12.226 -13.167 -2.591 1.00 0.00 C ATOM 0 H THR A 131 9.847 -12.374 -3.542 1.00 0.00 H new ATOM 0 HA THR A 131 10.611 -14.425 -5.375 1.00 0.00 H new ATOM 0 HB THR A 131 12.088 -12.545 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.771 -13.826 -4.990 1.00 0.00 H new ATOM 0 HG21 THR A 131 13.201 -12.707 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.444 -12.481 -2.265 1.00 0.00 H new ATOM 0 HG23 THR A 131 12.163 -14.090 -2.014 1.00 0.00 H new ATOM 1928 N SER A 132 11.032 -16.500 -3.944 1.00 0.00 N ATOM 1929 CA SER A 132 10.968 -17.754 -3.202 1.00 0.00 C ATOM 1930 C SER A 132 12.359 -18.195 -2.758 1.00 0.00 C ATOM 1931 O SER A 132 12.633 -19.389 -2.637 1.00 0.00 O ATOM 1932 CB SER A 132 10.323 -18.845 -4.058 1.00 0.00 C ATOM 1933 OG SER A 132 9.657 -18.288 -5.178 1.00 0.00 O ATOM 0 H SER A 132 11.479 -16.573 -4.858 1.00 0.00 H new ATOM 0 HA SER A 132 10.358 -17.591 -2.314 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.087 -19.545 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.614 -19.413 -3.455 1.00 0.00 H new ATOM 0 HG SER A 132 9.255 -19.006 -5.710 1.00 0.00 H new ATOM 1939 N GLU A 133 13.233 -17.224 -2.516 1.00 0.00 N ATOM 1940 CA GLU A 133 14.596 -17.512 -2.085 1.00 0.00 C ATOM 1941 C GLU A 133 14.608 -18.579 -0.995 1.00 0.00 C ATOM 1942 O GLU A 133 14.367 -18.286 0.176 1.00 0.00 O ATOM 1943 CB GLU A 133 15.273 -16.238 -1.576 1.00 0.00 C ATOM 1944 CG GLU A 133 16.238 -15.622 -2.575 1.00 0.00 C ATOM 1945 CD GLU A 133 17.507 -16.435 -2.738 1.00 0.00 C ATOM 1946 OE1 GLU A 133 18.038 -16.919 -1.716 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.970 -16.589 -3.888 1.00 0.00 O ATOM 0 H GLU A 133 13.022 -16.231 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 133 15.150 -17.890 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.507 -15.505 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.811 -16.465 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.744 -15.529 -3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 133 16.496 -14.614 -2.251 1.00 0.00 H new ATOM 1954 N GLY A 134 14.890 -19.817 -1.388 1.00 0.00 N ATOM 1955 CA GLY A 134 14.927 -20.907 -0.432 1.00 0.00 C ATOM 1956 C GLY A 134 13.607 -21.646 -0.342 1.00 0.00 C ATOM 1957 O GLY A 134 13.355 -22.366 0.624 1.00 0.00 O ATOM 0 H GLY A 134 15.093 -20.084 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.713 -21.607 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.188 -20.515 0.551 1.00 0.00 H new ATOM 1961 N ARG A 135 12.762 -21.468 -1.352 1.00 0.00 N ATOM 1962 CA ARG A 135 11.459 -22.124 -1.384 1.00 0.00 C ATOM 1963 C ARG A 135 11.539 -23.458 -2.119 1.00 0.00 C ATOM 1964 O ARG A 135 11.790 -24.499 -1.511 1.00 0.00 O ATOM 1965 CB ARG A 135 10.426 -21.219 -2.056 1.00 0.00 C ATOM 1966 CG ARG A 135 10.050 -20.002 -1.225 1.00 0.00 C ATOM 1967 CD ARG A 135 9.920 -20.352 0.248 1.00 0.00 C ATOM 1968 NE ARG A 135 9.227 -21.621 0.450 1.00 0.00 N ATOM 1969 CZ ARG A 135 9.377 -22.377 1.533 1.00 0.00 C ATOM 1970 NH1 ARG A 135 10.191 -21.992 2.506 1.00 0.00 N ATOM 1971 NH2 ARG A 135 8.712 -23.519 1.644 1.00 0.00 N ATOM 0 H ARG A 135 12.956 -20.875 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 135 11.151 -22.315 -0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 135 10.818 -20.885 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.527 -21.799 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.806 -19.227 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.108 -19.590 -1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.912 -20.405 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.379 -19.558 0.763 1.00 0.00 H new ATOM 0 HE ARG A 135 8.593 -21.945 -0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 135 10.704 -21.114 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 135 10.304 -22.574 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.084 -23.818 0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 135 8.828 -24.098 2.476 1.00 0.00 H new ATOM 1985 N ARG A 136 11.324 -23.419 -3.430 1.00 0.00 N ATOM 1986 CA ARG A 136 11.372 -24.624 -4.248 1.00 0.00 C ATOM 1987 C ARG A 136 10.031 -25.351 -4.225 1.00 0.00 C ATOM 1988 O ARG A 136 9.929 -26.501 -4.652 1.00 0.00 O ATOM 1989 CB ARG A 136 12.479 -25.558 -3.755 1.00 0.00 C ATOM 1990 CG ARG A 136 13.352 -26.109 -4.871 1.00 0.00 C ATOM 1991 CD ARG A 136 12.611 -27.147 -5.697 1.00 0.00 C ATOM 1992 NE ARG A 136 13.454 -28.296 -6.016 1.00 0.00 N ATOM 1993 CZ ARG A 136 13.252 -29.089 -7.063 1.00 0.00 C ATOM 1994 NH1 ARG A 136 12.240 -28.857 -7.888 1.00 0.00 N ATOM 1995 NH2 ARG A 136 14.062 -30.114 -7.287 1.00 0.00 N ATOM 0 H ARG A 136 11.115 -22.566 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 136 11.587 -24.327 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 136 13.108 -25.020 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.027 -26.390 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 136 13.677 -25.293 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.250 -26.555 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.730 -27.484 -5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 136 12.257 -26.690 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 136 14.241 -28.501 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 136 11.615 -28.069 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 136 12.087 -29.467 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.842 -30.295 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.905 -30.722 -8.091 1.00 0.00 H new ATOM 2009 N ASP A 137 9.004 -24.671 -3.725 1.00 0.00 N ATOM 2010 CA ASP A 137 7.669 -25.252 -3.646 1.00 0.00 C ATOM 2011 C ASP A 137 6.622 -24.286 -4.192 1.00 0.00 C ATOM 2012 O ASP A 137 6.744 -23.071 -4.036 1.00 0.00 O ATOM 2013 CB ASP A 137 7.334 -25.621 -2.200 1.00 0.00 C ATOM 2014 CG ASP A 137 8.152 -24.831 -1.197 1.00 0.00 C ATOM 2015 OD1 ASP A 137 8.264 -23.598 -1.362 1.00 0.00 O ATOM 2016 OD2 ASP A 137 8.680 -25.446 -0.247 1.00 0.00 O ATOM 0 H ASP A 137 9.071 -23.718 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 137 7.657 -26.155 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.274 -25.445 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.510 -26.686 -2.050 1.00 0.00 H new ATOM 2021 N ASN A 138 5.595 -24.834 -4.832 1.00 0.00 N ATOM 2022 CA ASN A 138 4.527 -24.022 -5.402 1.00 0.00 C ATOM 2023 C ASN A 138 4.074 -22.947 -4.419 1.00 0.00 C ATOM 2024 O ASN A 138 3.157 -23.163 -3.627 1.00 0.00 O ATOM 2025 CB ASN A 138 3.340 -24.904 -5.793 1.00 0.00 C ATOM 2026 CG ASN A 138 3.559 -25.616 -7.113 1.00 0.00 C ATOM 2027 OD1 ASN A 138 4.322 -25.155 -7.962 1.00 0.00 O ATOM 2028 ND2 ASN A 138 2.888 -26.748 -7.293 1.00 0.00 N ATOM 0 H ASN A 138 5.480 -25.838 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 138 4.916 -23.531 -6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 138 3.166 -25.642 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 138 2.441 -24.291 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.995 -27.272 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.266 -27.094 -6.562 1.00 0.00 H new ATOM 2035 N MET A 139 4.724 -21.789 -4.474 1.00 0.00 N ATOM 2036 CA MET A 139 4.388 -20.680 -3.589 1.00 0.00 C ATOM 2037 C MET A 139 5.502 -19.638 -3.576 1.00 0.00 C ATOM 2038 O MET A 139 6.684 -19.977 -3.622 1.00 0.00 O ATOM 2039 CB MET A 139 4.135 -21.190 -2.169 1.00 0.00 C ATOM 2040 CG MET A 139 5.181 -22.180 -1.682 1.00 0.00 C ATOM 2041 SD MET A 139 4.672 -23.049 -0.187 1.00 0.00 S ATOM 2042 CE MET A 139 6.040 -22.675 0.906 1.00 0.00 C ATOM 0 H MET A 139 5.487 -21.594 -5.123 1.00 0.00 H new ATOM 0 HA MET A 139 3.479 -20.211 -3.966 1.00 0.00 H new ATOM 0 HB2 MET A 139 4.106 -20.340 -1.487 1.00 0.00 H new ATOM 0 HB3 MET A 139 3.154 -21.663 -2.131 1.00 0.00 H new ATOM 0 HG2 MET A 139 5.382 -22.907 -2.469 1.00 0.00 H new ATOM 0 HG3 MET A 139 6.115 -21.651 -1.490 1.00 0.00 H new ATOM 0 HE1 MET A 139 6.572 -23.594 1.150 1.00 0.00 H new ATOM 0 HE2 MET A 139 6.721 -21.981 0.413 1.00 0.00 H new ATOM 0 HE3 MET A 139 5.661 -22.221 1.822 1.00 0.00 H new ATOM 2052 N LYS A 140 5.116 -18.367 -3.514 1.00 0.00 N ATOM 2053 CA LYS A 140 6.082 -17.275 -3.495 1.00 0.00 C ATOM 2054 C LYS A 140 5.940 -16.445 -2.224 1.00 0.00 C ATOM 2055 O LYS A 140 4.932 -16.533 -1.522 1.00 0.00 O ATOM 2056 CB LYS A 140 5.897 -16.383 -4.724 1.00 0.00 C ATOM 2057 CG LYS A 140 4.442 -16.171 -5.109 1.00 0.00 C ATOM 2058 CD LYS A 140 4.317 -15.483 -6.458 1.00 0.00 C ATOM 2059 CE LYS A 140 2.926 -14.904 -6.662 1.00 0.00 C ATOM 2060 NZ LYS A 140 1.864 -15.933 -6.486 1.00 0.00 N ATOM 0 H LYS A 140 4.141 -18.069 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 140 7.083 -17.707 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 140 6.358 -15.414 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 140 6.426 -16.826 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 140 3.929 -17.132 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 140 3.946 -15.571 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 140 5.058 -14.687 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 140 4.535 -16.196 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.764 -14.091 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 140 2.854 -14.476 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 0.960 -15.564 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.121 -16.791 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.769 -16.164 -5.477 1.00 0.00 H new ATOM 2074 N TRP A 141 6.957 -15.641 -1.931 1.00 0.00 N ATOM 2075 CA TRP A 141 6.946 -14.796 -0.743 1.00 0.00 C ATOM 2076 C TRP A 141 7.749 -13.520 -0.971 1.00 0.00 C ATOM 2077 O TRP A 141 8.555 -13.437 -1.898 1.00 0.00 O ATOM 2078 CB TRP A 141 7.512 -15.560 0.456 1.00 0.00 C ATOM 2079 CG TRP A 141 8.967 -15.889 0.315 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.505 -17.096 -0.029 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.071 -15.000 0.516 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.876 -17.011 -0.056 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.248 -15.734 0.275 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.179 -13.653 0.874 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.515 -15.166 0.382 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.438 -13.091 0.980 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.590 -13.846 0.734 1.00 0.00 C ATOM 0 H TRP A 141 7.799 -15.557 -2.500 1.00 0.00 H new ATOM 0 HA TRP A 141 5.912 -14.519 -0.536 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.367 -14.966 1.358 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.949 -16.484 0.588 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.936 -17.987 -0.248 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.513 -17.774 -0.285 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.295 -13.062 1.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.406 -15.746 0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.534 -12.052 1.257 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.559 -13.377 0.824 1.00 0.00 H new ATOM 2098 N CYS A 142 7.525 -12.527 -0.116 1.00 0.00 N ATOM 2099 CA CYS A 142 8.229 -11.254 -0.221 1.00 0.00 C ATOM 2100 C CYS A 142 8.631 -10.743 1.158 1.00 0.00 C ATOM 2101 O CYS A 142 8.490 -11.447 2.158 1.00 0.00 O ATOM 2102 CB CYS A 142 7.353 -10.217 -0.925 1.00 0.00 C ATOM 2103 SG CYS A 142 5.682 -10.052 -0.218 1.00 0.00 S ATOM 0 H CYS A 142 6.862 -12.579 0.657 1.00 0.00 H new ATOM 0 HA CYS A 142 9.132 -11.414 -0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.851 -9.248 -0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.266 -10.485 -1.978 1.00 0.00 H new ATOM 2108 N GLY A 143 9.132 -9.513 1.205 1.00 0.00 N ATOM 2109 CA GLY A 143 9.546 -8.929 2.466 1.00 0.00 C ATOM 2110 C GLY A 143 8.540 -7.929 3.000 1.00 0.00 C ATOM 2111 O GLY A 143 8.041 -7.082 2.258 1.00 0.00 O ATOM 0 H GLY A 143 9.258 -8.911 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.690 -9.722 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.509 -8.436 2.336 1.00 0.00 H new ATOM 2115 N THR A 144 8.243 -8.024 4.292 1.00 0.00 N ATOM 2116 CA THR A 144 7.293 -7.120 4.925 1.00 0.00 C ATOM 2117 C THR A 144 7.909 -5.742 5.138 1.00 0.00 C ATOM 2118 O THR A 144 7.210 -4.778 5.450 1.00 0.00 O ATOM 2119 CB THR A 144 6.811 -7.669 6.280 1.00 0.00 C ATOM 2120 OG1 THR A 144 7.883 -8.354 6.940 1.00 0.00 O ATOM 2121 CG2 THR A 144 5.638 -8.618 6.093 1.00 0.00 C ATOM 0 H THR A 144 8.647 -8.719 4.920 1.00 0.00 H new ATOM 0 HA THR A 144 6.439 -7.036 4.253 1.00 0.00 H new ATOM 0 HB THR A 144 6.484 -6.828 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.782 -9.320 6.812 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.315 -8.993 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 144 4.814 -8.088 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 144 5.943 -9.454 5.464 1.00 0.00 H new ATOM 2129 N THR A 145 9.224 -5.657 4.966 1.00 0.00 N ATOM 2130 CA THR A 145 9.939 -4.399 5.136 1.00 0.00 C ATOM 2131 C THR A 145 10.914 -4.164 3.988 1.00 0.00 C ATOM 2132 O THR A 145 11.429 -5.112 3.395 1.00 0.00 O ATOM 2133 CB THR A 145 10.713 -4.368 6.467 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.056 -4.823 6.264 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.030 -5.241 7.510 1.00 0.00 C ATOM 0 H THR A 145 9.816 -6.446 4.709 1.00 0.00 H new ATOM 0 HA THR A 145 9.190 -3.607 5.142 1.00 0.00 H new ATOM 0 HB THR A 145 10.729 -3.340 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.652 -4.380 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.594 -5.204 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.018 -4.876 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.988 -6.270 7.152 1.00 0.00 H new ATOM 2143 N GLN A 146 11.161 -2.896 3.677 1.00 0.00 N ATOM 2144 CA GLN A 146 12.074 -2.537 2.597 1.00 0.00 C ATOM 2145 C GLN A 146 13.372 -3.333 2.692 1.00 0.00 C ATOM 2146 O GLN A 146 14.071 -3.519 1.697 1.00 0.00 O ATOM 2147 CB GLN A 146 12.377 -1.038 2.635 1.00 0.00 C ATOM 2148 CG GLN A 146 13.483 -0.666 3.610 1.00 0.00 C ATOM 2149 CD GLN A 146 13.294 0.715 4.205 1.00 0.00 C ATOM 2150 OE1 GLN A 146 12.877 0.857 5.355 1.00 0.00 O ATOM 2151 NE2 GLN A 146 13.602 1.744 3.423 1.00 0.00 N ATOM 0 H GLN A 146 10.742 -2.100 4.157 1.00 0.00 H new ATOM 0 HA GLN A 146 11.590 -2.780 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.659 -0.707 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.469 -0.499 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 146 13.517 -1.402 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.444 -0.708 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 146 13.944 1.580 2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 146 13.496 2.697 3.769 1.00 0.00 H new ATOM 2160 N ASN A 147 13.688 -3.799 3.896 1.00 0.00 N ATOM 2161 CA ASN A 147 14.903 -4.574 4.123 1.00 0.00 C ATOM 2162 C ASN A 147 14.576 -5.925 4.755 1.00 0.00 C ATOM 2163 O ASN A 147 14.776 -6.126 5.953 1.00 0.00 O ATOM 2164 CB ASN A 147 15.862 -3.793 5.022 1.00 0.00 C ATOM 2165 CG ASN A 147 15.269 -3.503 6.387 1.00 0.00 C ATOM 2166 OD1 ASN A 147 14.193 -3.996 6.726 1.00 0.00 O ATOM 2167 ND2 ASN A 147 15.969 -2.698 7.178 1.00 0.00 N ATOM 0 H ASN A 147 13.119 -3.653 4.730 1.00 0.00 H new ATOM 0 HA ASN A 147 15.381 -4.753 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.785 -4.360 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.126 -2.853 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 147 15.619 -2.466 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 147 16.856 -2.312 6.856 1.00 0.00 H new ATOM 2174 N TYR A 148 14.068 -6.846 3.942 1.00 0.00 N ATOM 2175 CA TYR A 148 13.707 -8.177 4.421 1.00 0.00 C ATOM 2176 C TYR A 148 14.837 -8.796 5.238 1.00 0.00 C ATOM 2177 O TYR A 148 14.768 -8.855 6.465 1.00 0.00 O ATOM 2178 CB TYR A 148 13.357 -9.088 3.242 1.00 0.00 C ATOM 2179 CG TYR A 148 13.413 -10.561 3.577 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.822 -11.054 4.733 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.057 -11.460 2.734 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.872 -12.401 5.042 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.110 -12.807 3.036 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.516 -13.272 4.190 1.00 0.00 C ATOM 2185 OH TYR A 148 13.568 -14.613 4.493 1.00 0.00 O ATOM 0 H TYR A 148 13.897 -6.695 2.948 1.00 0.00 H new ATOM 0 HA TYR A 148 12.835 -8.075 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.356 -8.842 2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 148 14.044 -8.885 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.315 -10.374 5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.523 -11.099 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.409 -12.768 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.614 -13.493 2.371 1.00 0.00 H new ATOM 0 HH TYR A 148 12.698 -14.904 4.839 1.00 0.00 H new ATOM 2195 N ASP A 149 15.873 -9.263 4.548 1.00 0.00 N ATOM 2196 CA ASP A 149 17.015 -9.884 5.210 1.00 0.00 C ATOM 2197 C ASP A 149 17.491 -9.046 6.392 1.00 0.00 C ATOM 2198 O ASP A 149 18.125 -9.560 7.313 1.00 0.00 O ATOM 2199 CB ASP A 149 18.161 -10.080 4.217 1.00 0.00 C ATOM 2200 CG ASP A 149 19.312 -10.870 4.810 1.00 0.00 C ATOM 2201 OD1 ASP A 149 20.046 -10.309 5.650 1.00 0.00 O ATOM 2202 OD2 ASP A 149 19.479 -12.049 4.433 1.00 0.00 O ATOM 0 H ASP A 149 15.945 -9.223 3.531 1.00 0.00 H new ATOM 0 HA ASP A 149 16.695 -10.856 5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 149 17.787 -10.596 3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.524 -9.106 3.888 1.00 0.00 H new ATOM 2207 N ALA A 150 17.184 -7.753 6.360 1.00 0.00 N ATOM 2208 CA ALA A 150 17.585 -6.849 7.431 1.00 0.00 C ATOM 2209 C ALA A 150 16.500 -6.746 8.498 1.00 0.00 C ATOM 2210 O ALA A 150 16.752 -6.283 9.610 1.00 0.00 O ATOM 2211 CB ALA A 150 17.907 -5.475 6.866 1.00 0.00 C ATOM 0 H ALA A 150 16.660 -7.309 5.606 1.00 0.00 H new ATOM 0 HA ALA A 150 18.481 -7.255 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.205 -4.809 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.722 -5.559 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 150 17.025 -5.070 6.369 1.00 0.00 H new ATOM 2217 N ASP A 151 15.294 -7.183 8.151 1.00 0.00 N ATOM 2218 CA ASP A 151 14.170 -7.142 9.080 1.00 0.00 C ATOM 2219 C ASP A 151 13.864 -8.535 9.621 1.00 0.00 C ATOM 2220 O ASP A 151 13.291 -8.680 10.701 1.00 0.00 O ATOM 2221 CB ASP A 151 12.932 -6.566 8.391 1.00 0.00 C ATOM 2222 CG ASP A 151 12.227 -5.529 9.242 1.00 0.00 C ATOM 2223 OD1 ASP A 151 11.798 -5.873 10.363 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.103 -4.372 8.787 1.00 0.00 O ATOM 0 H ASP A 151 15.070 -7.569 7.234 1.00 0.00 H new ATOM 0 HA ASP A 151 14.443 -6.498 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.224 -6.116 7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.239 -7.375 8.160 1.00 0.00 H new ATOM 2229 N GLN A 152 14.250 -9.556 8.864 1.00 0.00 N ATOM 2230 CA GLN A 152 14.019 -10.939 9.267 1.00 0.00 C ATOM 2231 C GLN A 152 12.526 -11.229 9.388 1.00 0.00 C ATOM 2232 O GLN A 152 12.077 -11.823 10.368 1.00 0.00 O ATOM 2233 CB GLN A 152 14.716 -11.227 10.598 1.00 0.00 C ATOM 2234 CG GLN A 152 16.183 -10.829 10.615 1.00 0.00 C ATOM 2235 CD GLN A 152 17.077 -11.868 9.968 1.00 0.00 C ATOM 2236 OE1 GLN A 152 16.778 -13.062 9.991 1.00 0.00 O ATOM 2237 NE2 GLN A 152 18.182 -11.418 9.385 1.00 0.00 N ATOM 0 H GLN A 152 14.725 -9.452 7.967 1.00 0.00 H new ATOM 0 HA GLN A 152 14.436 -11.590 8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 152 14.195 -10.695 11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.634 -12.291 10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 152 16.304 -9.878 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 152 16.501 -10.673 11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 152 18.391 -10.420 9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 152 18.822 -12.071 8.933 1.00 0.00 H new ATOM 2246 N LYS A 153 11.762 -10.805 8.387 1.00 0.00 N ATOM 2247 CA LYS A 153 10.320 -11.020 8.383 1.00 0.00 C ATOM 2248 C LYS A 153 9.790 -11.135 6.957 1.00 0.00 C ATOM 2249 O LYS A 153 9.831 -10.174 6.189 1.00 0.00 O ATOM 2250 CB LYS A 153 9.611 -9.877 9.112 1.00 0.00 C ATOM 2251 CG LYS A 153 10.544 -9.020 9.952 1.00 0.00 C ATOM 2252 CD LYS A 153 9.771 -8.108 10.890 1.00 0.00 C ATOM 2253 CE LYS A 153 9.302 -8.853 12.129 1.00 0.00 C ATOM 2254 NZ LYS A 153 7.873 -8.572 12.439 1.00 0.00 N ATOM 0 H LYS A 153 12.117 -10.311 7.569 1.00 0.00 H new ATOM 0 HA LYS A 153 10.116 -11.956 8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 153 9.111 -9.244 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.836 -10.293 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 153 11.206 -9.663 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.176 -8.419 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.401 -7.269 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.910 -7.691 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 153 9.437 -9.924 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 153 9.921 -8.568 12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 7.778 -8.322 13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 7.540 -7.780 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 7.301 -9.417 12.237 1.00 0.00 H new ATOM 2268 N PHE A 154 9.291 -12.317 6.611 1.00 0.00 N ATOM 2269 CA PHE A 154 8.751 -12.559 5.277 1.00 0.00 C ATOM 2270 C PHE A 154 7.316 -13.068 5.357 1.00 0.00 C ATOM 2271 O PHE A 154 6.836 -13.436 6.429 1.00 0.00 O ATOM 2272 CB PHE A 154 9.622 -13.568 4.527 1.00 0.00 C ATOM 2273 CG PHE A 154 9.392 -14.991 4.949 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.268 -15.681 4.525 1.00 0.00 C ATOM 2275 CD2 PHE A 154 10.301 -15.639 5.771 1.00 0.00 C ATOM 2276 CE1 PHE A 154 8.054 -16.990 4.912 1.00 0.00 C ATOM 2277 CE2 PHE A 154 10.092 -16.948 6.161 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.967 -17.625 5.731 1.00 0.00 C ATOM 0 H PHE A 154 9.249 -13.123 7.235 1.00 0.00 H new ATOM 0 HA PHE A 154 8.753 -11.614 4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.428 -13.479 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.671 -13.317 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.551 -15.190 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 154 11.182 -15.115 6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.173 -17.516 4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.808 -17.442 6.802 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.802 -18.648 6.035 1.00 0.00 H new ATOM 2288 N GLY A 155 6.635 -13.085 4.215 1.00 0.00 N ATOM 2289 CA GLY A 155 5.261 -13.550 4.180 1.00 0.00 C ATOM 2290 C GLY A 155 4.848 -14.042 2.806 1.00 0.00 C ATOM 2291 O GLY A 155 5.367 -13.577 1.791 1.00 0.00 O ATOM 0 H GLY A 155 7.010 -12.785 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.135 -14.355 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.599 -12.740 4.486 1.00 0.00 H new ATOM 2295 N PHE A 156 3.912 -14.985 2.774 1.00 0.00 N ATOM 2296 CA PHE A 156 3.428 -15.539 1.515 1.00 0.00 C ATOM 2297 C PHE A 156 2.505 -14.552 0.809 1.00 0.00 C ATOM 2298 O PHE A 156 1.767 -13.808 1.454 1.00 0.00 O ATOM 2299 CB PHE A 156 2.693 -16.858 1.762 1.00 0.00 C ATOM 2300 CG PHE A 156 3.563 -17.927 2.358 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.515 -18.574 1.587 1.00 0.00 C ATOM 2302 CD2 PHE A 156 3.429 -18.286 3.690 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.317 -19.559 2.132 1.00 0.00 C ATOM 2304 CE2 PHE A 156 4.227 -19.270 4.241 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.173 -19.907 3.461 1.00 0.00 C ATOM 0 H PHE A 156 3.474 -15.381 3.605 1.00 0.00 H new ATOM 0 HA PHE A 156 4.289 -15.728 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.849 -16.675 2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.283 -17.218 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 156 4.632 -18.305 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.692 -17.791 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.055 -20.056 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 156 4.112 -19.541 5.280 1.00 0.00 H new ATOM 0 HZ PHE A 156 5.799 -20.676 3.890 1.00 0.00 H new ATOM 2315 N CYS A 157 2.551 -14.550 -0.519 1.00 0.00 N ATOM 2316 CA CYS A 157 1.719 -13.652 -1.310 1.00 0.00 C ATOM 2317 C CYS A 157 0.379 -14.299 -1.642 1.00 0.00 C ATOM 2318 O CYS A 157 0.201 -15.506 -1.478 1.00 0.00 O ATOM 2319 CB CYS A 157 2.441 -13.257 -2.599 1.00 0.00 C ATOM 2320 SG CYS A 157 3.687 -11.946 -2.382 1.00 0.00 S ATOM 0 H CYS A 157 3.155 -15.160 -1.069 1.00 0.00 H new ATOM 0 HA CYS A 157 1.531 -12.757 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 157 2.927 -14.139 -3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 157 1.703 -12.925 -3.329 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.584 -13.495 -2.117 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.919 -13.983 -2.477 1.00 0.00 C ATOM 2327 C PRO A 158 -1.863 -15.154 -3.452 1.00 0.00 C ATOM 2328 O PRO A 158 -0.915 -15.286 -4.226 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.577 -12.769 -3.137 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.858 -11.593 -2.571 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.444 -12.045 -2.340 1.00 0.00 C ATOM 0 HA PRO A 158 -2.462 -14.359 -1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.480 -12.807 -4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.643 -12.726 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.890 -10.748 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.320 -11.264 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.192 -11.830 -3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 158 0.002 -11.547 -1.479 1.00 0.00 H new