USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= -1.3 K(o=-2.4,f=-4.7!) USER MOD Set 1.2: A 86 THR OG1 : rot 90:sc= -1.08 USER MOD Set 2.1: A 20 SER OG : rot -39:sc= 0.104 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.0989 USER MOD Set 3.1: A 52 SER OG : rot 180:sc= 0.491 USER MOD Set 3.2: A 67 TYR OH : rot -1:sc= 0.793 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.215 X(o=0.099,f=-0.11) USER MOD Set 4.2: A 28 SER OG : rot -88:sc= 0.315 USER MOD Set 5.1: A 11 SER OG : rot -91:sc= 1.15 USER MOD Set 5.2: A 21 ASN : amide:sc= -0.236 K(o=0.91,f=0.41) USER MOD Single : A 4 THR OG1 : rot 29:sc= 0.706 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -131:sc= 0.0965 USER MOD Single : A 13 HIS : no HD1:sc= -0.679 X(o=-0.68,f=-0.63) USER MOD Single : A 17 ASN : amide:sc= -3.08! C(o=-3.1!,f=-7.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -3.58! C(o=-3.6!,f=-4.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-4.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 0.51 (180deg=0.265) USER MOD Single : A 42 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.0131 (180deg=-0.148) USER MOD Single : A 51 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.017) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -86:sc= 1.31 USER MOD Single : A 68 THR OG1 : rot 71:sc= 0.882 USER MOD Single : A 73 THR OG1 : rot -26:sc= 1.47 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= -0.0165 (180deg=-0.185) USER MOD Single : A 78 TYR OH : rot 39:sc= -1.88! USER MOD Single : A 83 ASN : amide:sc= -0.352 K(o=-0.35,f=-2.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.080 -4.588 -4.635 1.00 0.00 N ATOM 37 CA ARG A 3 -16.083 -4.022 -5.539 1.00 0.00 C ATOM 38 C ARG A 3 -14.688 -4.472 -5.121 1.00 0.00 C ATOM 39 O ARG A 3 -14.344 -4.414 -3.941 1.00 0.00 O ATOM 40 CB ARG A 3 -16.207 -2.489 -5.533 1.00 0.00 C ATOM 41 CG ARG A 3 -15.003 -1.729 -6.109 1.00 0.00 C ATOM 42 CD ARG A 3 -15.376 -0.291 -6.470 1.00 0.00 C ATOM 43 NE ARG A 3 -16.102 0.377 -5.382 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.239 1.701 -5.274 1.00 0.00 C ATOM 45 NH1 ARG A 3 -15.677 2.508 -6.166 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.940 2.217 -4.266 1.00 0.00 N ATOM 0 HA ARG A 3 -16.255 -4.377 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.096 -2.211 -6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.367 -2.158 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.191 -1.725 -5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.635 -2.245 -6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.471 0.271 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.991 -0.291 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.529 -0.207 -4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.137 2.117 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.785 3.519 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.372 1.601 -3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.045 3.228 -4.183 1.00 0.00 H new ATOM 60 N THR A 4 -13.896 -4.931 -6.087 1.00 0.00 N ATOM 61 CA THR A 4 -12.577 -5.479 -5.796 1.00 0.00 C ATOM 62 C THR A 4 -11.574 -4.346 -5.587 1.00 0.00 C ATOM 63 O THR A 4 -11.328 -3.560 -6.507 1.00 0.00 O ATOM 64 CB THR A 4 -12.071 -6.413 -6.929 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.797 -5.664 -8.119 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.092 -7.490 -7.257 1.00 0.00 C ATOM 0 H THR A 4 -14.146 -4.934 -7.076 1.00 0.00 H new ATOM 0 HA THR A 4 -12.666 -6.072 -4.886 1.00 0.00 H new ATOM 0 HB THR A 4 -11.156 -6.884 -6.569 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.534 -4.751 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.707 -8.126 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.281 -8.094 -6.370 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.021 -7.023 -7.583 1.00 0.00 H new ATOM 74 N PRO A 5 -11.002 -4.223 -4.380 1.00 0.00 N ATOM 75 CA PRO A 5 -10.012 -3.196 -4.098 1.00 0.00 C ATOM 76 C PRO A 5 -8.722 -3.474 -4.841 1.00 0.00 C ATOM 77 O PRO A 5 -8.178 -4.580 -4.773 1.00 0.00 O ATOM 78 CB PRO A 5 -9.794 -3.264 -2.582 1.00 0.00 C ATOM 79 CG PRO A 5 -10.832 -4.202 -2.055 1.00 0.00 C ATOM 80 CD PRO A 5 -11.268 -5.062 -3.212 1.00 0.00 C ATOM 0 HA PRO A 5 -10.343 -2.209 -4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.791 -3.621 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.894 -2.278 -2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.427 -4.814 -1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.677 -3.651 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.707 -5.996 -3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.323 -5.327 -3.140 1.00 0.00 H new ATOM 88 N LYS A 6 -8.234 -2.480 -5.551 1.00 0.00 N ATOM 89 CA LYS A 6 -7.086 -2.671 -6.406 1.00 0.00 C ATOM 90 C LYS A 6 -5.839 -2.120 -5.735 1.00 0.00 C ATOM 91 O LYS A 6 -5.893 -1.118 -5.020 1.00 0.00 O ATOM 92 CB LYS A 6 -7.329 -1.995 -7.759 1.00 0.00 C ATOM 93 CG LYS A 6 -6.389 -2.450 -8.865 1.00 0.00 C ATOM 94 CD LYS A 6 -6.800 -1.875 -10.215 1.00 0.00 C ATOM 95 CE LYS A 6 -8.228 -2.263 -10.578 1.00 0.00 C ATOM 96 NZ LYS A 6 -8.633 -1.731 -11.906 1.00 0.00 N ATOM 0 H LYS A 6 -8.614 -1.534 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.935 -3.737 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.356 -2.188 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.231 -0.916 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.371 -2.139 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.386 -3.539 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.712 -0.789 -10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.118 -2.232 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.318 -3.349 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.910 -1.888 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.611 -2.019 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.572 -0.693 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.999 -2.109 -12.639 1.00 0.00 H new ATOM 110 N ILE A 7 -4.720 -2.782 -5.973 1.00 0.00 N ATOM 111 CA ILE A 7 -3.475 -2.440 -5.301 1.00 0.00 C ATOM 112 C ILE A 7 -2.674 -1.466 -6.147 1.00 0.00 C ATOM 113 O ILE A 7 -2.350 -1.746 -7.304 1.00 0.00 O ATOM 114 CB ILE A 7 -2.585 -3.681 -4.989 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.161 -4.573 -3.878 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.196 -3.226 -4.572 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.615 -4.944 -4.034 1.00 0.00 C ATOM 0 H ILE A 7 -4.646 -3.561 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.757 -1.987 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.548 -4.272 -5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.573 -5.490 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.034 -4.062 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.578 -4.097 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.743 -2.652 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.270 -2.602 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.921 -5.574 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.222 -4.039 -4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.753 -5.488 -4.968 1.00 0.00 H new ATOM 129 N GLN A 8 -2.375 -0.321 -5.569 1.00 0.00 N ATOM 130 CA GLN A 8 -1.494 0.651 -6.207 1.00 0.00 C ATOM 131 C GLN A 8 -0.453 1.092 -5.167 1.00 0.00 C ATOM 132 O GLN A 8 -0.800 1.644 -4.121 1.00 0.00 O ATOM 133 CB GLN A 8 -2.301 1.876 -6.744 1.00 0.00 C ATOM 134 CG GLN A 8 -3.803 1.666 -6.650 1.00 0.00 C ATOM 135 CD GLN A 8 -4.589 2.962 -6.729 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.678 3.076 -6.165 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.045 3.946 -7.430 1.00 0.00 N ATOM 0 H GLN A 8 -2.727 -0.035 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.000 0.199 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.025 2.766 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.027 2.061 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.123 1.004 -7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.036 1.163 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.141 3.811 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.531 4.839 -7.518 1.00 0.00 H new ATOM 146 N VAL A 9 0.812 0.815 -5.456 1.00 0.00 N ATOM 147 CA VAL A 9 1.906 1.095 -4.532 1.00 0.00 C ATOM 148 C VAL A 9 3.083 1.723 -5.272 1.00 0.00 C ATOM 149 O VAL A 9 3.528 1.217 -6.302 1.00 0.00 O ATOM 150 CB VAL A 9 2.354 -0.187 -3.768 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.431 -1.392 -4.695 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.694 0.026 -3.070 1.00 0.00 C ATOM 0 H VAL A 9 1.109 0.391 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 9 1.541 1.806 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 9 1.597 -0.389 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.747 -2.268 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.450 -1.577 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.151 -1.195 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.980 -0.886 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.455 0.273 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.606 0.844 -2.355 1.00 0.00 H new ATOM 162 N TYR A 10 3.577 2.834 -4.744 1.00 0.00 N ATOM 163 CA TYR A 10 4.653 3.578 -5.380 1.00 0.00 C ATOM 164 C TYR A 10 5.405 4.405 -4.346 1.00 0.00 C ATOM 165 O TYR A 10 4.957 4.557 -3.211 1.00 0.00 O ATOM 166 CB TYR A 10 4.100 4.491 -6.489 1.00 0.00 C ATOM 167 CG TYR A 10 3.065 5.494 -6.016 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.439 6.733 -5.509 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.712 5.195 -6.078 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.491 7.641 -5.074 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.760 6.096 -5.648 1.00 0.00 C ATOM 172 CZ TYR A 10 1.153 7.317 -5.146 1.00 0.00 C ATOM 173 OH TYR A 10 0.202 8.210 -4.705 1.00 0.00 O ATOM 0 H TYR A 10 3.246 3.242 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 10 5.343 2.865 -5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.929 5.031 -6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.657 3.870 -7.267 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.486 6.991 -5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.398 4.239 -6.470 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.797 8.599 -4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.289 5.845 -5.705 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.427 7.751 -4.110 1.00 0.00 H new ATOM 183 N SER A 11 6.555 4.922 -4.743 1.00 0.00 N ATOM 184 CA SER A 11 7.340 5.797 -3.893 1.00 0.00 C ATOM 185 C SER A 11 6.924 7.240 -4.155 1.00 0.00 C ATOM 186 O SER A 11 6.756 7.636 -5.309 1.00 0.00 O ATOM 187 CB SER A 11 8.823 5.598 -4.207 1.00 0.00 C ATOM 188 OG SER A 11 9.645 6.382 -3.365 1.00 0.00 O ATOM 0 H SER A 11 6.968 4.748 -5.659 1.00 0.00 H new ATOM 0 HA SER A 11 7.170 5.564 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.082 4.546 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.013 5.860 -5.248 1.00 0.00 H new ATOM 0 HG SER A 11 9.809 7.252 -3.786 1.00 0.00 H new ATOM 194 N ARG A 12 6.735 8.012 -3.077 1.00 0.00 N ATOM 195 CA ARG A 12 6.229 9.394 -3.197 1.00 0.00 C ATOM 196 C ARG A 12 7.144 10.243 -4.087 1.00 0.00 C ATOM 197 O ARG A 12 6.688 11.173 -4.748 1.00 0.00 O ATOM 198 CB ARG A 12 6.077 10.023 -1.784 1.00 0.00 C ATOM 199 CG ARG A 12 5.349 11.375 -1.718 1.00 0.00 C ATOM 200 CD ARG A 12 6.233 12.536 -2.147 1.00 0.00 C ATOM 201 NE ARG A 12 6.841 13.216 -1.009 1.00 0.00 N ATOM 202 CZ ARG A 12 8.101 13.049 -0.612 1.00 0.00 C ATOM 203 NH1 ARG A 12 8.886 12.166 -1.219 1.00 0.00 N ATOM 204 NH2 ARG A 12 8.570 13.760 0.403 1.00 0.00 N ATOM 0 H ARG A 12 6.921 7.712 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 12 5.249 9.368 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.544 9.315 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.072 10.148 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.466 11.340 -2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.999 11.546 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.017 12.168 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.640 13.249 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 12 6.260 13.866 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.525 11.611 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.850 12.043 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.966 14.432 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.535 13.635 0.710 1.00 0.00 H new ATOM 218 N HIS A 13 8.425 9.913 -4.097 1.00 0.00 N ATOM 219 CA HIS A 13 9.383 10.554 -4.993 1.00 0.00 C ATOM 220 C HIS A 13 10.436 9.531 -5.443 1.00 0.00 C ATOM 221 O HIS A 13 10.425 8.412 -4.924 1.00 0.00 O ATOM 222 CB HIS A 13 10.039 11.774 -4.330 1.00 0.00 C ATOM 223 CG HIS A 13 9.336 13.070 -4.643 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.066 13.425 -5.943 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.871 14.046 -3.815 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.452 14.595 -5.882 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.314 15.008 -4.616 1.00 0.00 N ATOM 0 H HIS A 13 8.831 9.200 -3.491 1.00 0.00 H new ATOM 0 HA HIS A 13 8.850 10.917 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.054 11.628 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.077 11.843 -4.657 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.930 14.059 -2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.106 15.147 -6.744 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.876 15.876 -4.306 1.00 0.00 H new ATOM 235 N PRO A 14 11.361 9.873 -6.388 1.00 0.00 N ATOM 236 CA PRO A 14 12.315 8.903 -6.961 1.00 0.00 C ATOM 237 C PRO A 14 12.998 8.022 -5.912 1.00 0.00 C ATOM 238 O PRO A 14 13.384 8.489 -4.836 1.00 0.00 O ATOM 239 CB PRO A 14 13.366 9.773 -7.678 1.00 0.00 C ATOM 240 CG PRO A 14 13.035 11.202 -7.336 1.00 0.00 C ATOM 241 CD PRO A 14 11.569 11.212 -6.976 1.00 0.00 C ATOM 0 HA PRO A 14 11.795 8.206 -7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.373 9.517 -7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.333 9.613 -8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.644 11.556 -6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.234 11.862 -8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.333 12.005 -6.267 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.940 11.370 -7.852 1.00 0.00 H new ATOM 249 N ALA A 15 13.121 6.741 -6.236 1.00 0.00 N ATOM 250 CA ALA A 15 13.774 5.781 -5.364 1.00 0.00 C ATOM 251 C ALA A 15 15.276 6.013 -5.330 1.00 0.00 C ATOM 252 O ALA A 15 15.968 5.789 -6.325 1.00 0.00 O ATOM 253 CB ALA A 15 13.489 4.365 -5.839 1.00 0.00 C ATOM 0 H ALA A 15 12.772 6.342 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 15 13.377 5.914 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.983 3.653 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.414 4.186 -5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.865 4.239 -6.854 1.00 0.00 H new ATOM 259 N GLU A 16 15.778 6.465 -4.196 1.00 0.00 N ATOM 260 CA GLU A 16 17.205 6.628 -4.027 1.00 0.00 C ATOM 261 C GLU A 16 17.736 5.585 -3.050 1.00 0.00 C ATOM 262 O GLU A 16 17.353 5.551 -1.883 1.00 0.00 O ATOM 263 CB GLU A 16 17.539 8.041 -3.553 1.00 0.00 C ATOM 264 CG GLU A 16 19.027 8.346 -3.605 1.00 0.00 C ATOM 265 CD GLU A 16 19.605 8.181 -4.997 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.732 9.192 -5.718 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.936 7.042 -5.376 1.00 0.00 O ATOM 0 H GLU A 16 15.219 6.724 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 16 17.690 6.480 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.004 8.762 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.182 8.170 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.198 9.367 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.554 7.686 -2.916 1.00 0.00 H new ATOM 274 N ASN A 17 18.605 4.729 -3.553 1.00 0.00 N ATOM 275 CA ASN A 17 19.153 3.624 -2.773 1.00 0.00 C ATOM 276 C ASN A 17 20.264 4.107 -1.844 1.00 0.00 C ATOM 277 O ASN A 17 21.243 4.723 -2.274 1.00 0.00 O ATOM 278 CB ASN A 17 19.619 2.502 -3.725 1.00 0.00 C ATOM 279 CG ASN A 17 20.720 1.598 -3.180 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.831 1.354 -1.980 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.535 1.070 -4.082 1.00 0.00 N ATOM 0 H ASN A 17 18.953 4.775 -4.511 1.00 0.00 H new ATOM 0 HA ASN A 17 18.376 3.212 -2.129 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.758 1.884 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.971 2.957 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.282 0.440 -3.788 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.415 1.293 -5.070 1.00 0.00 H new ATOM 288 N GLY A 18 20.076 3.828 -0.561 1.00 0.00 N ATOM 289 CA GLY A 18 20.989 4.293 0.462 1.00 0.00 C ATOM 290 C GLY A 18 20.585 5.662 0.946 1.00 0.00 C ATOM 291 O GLY A 18 21.388 6.403 1.517 1.00 0.00 O ATOM 0 H GLY A 18 19.293 3.278 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.996 3.593 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 18 22.004 4.326 0.065 1.00 0.00 H new ATOM 295 N LYS A 19 19.326 5.990 0.708 1.00 0.00 N ATOM 296 CA LYS A 19 18.789 7.293 1.020 1.00 0.00 C ATOM 297 C LYS A 19 17.400 7.145 1.618 1.00 0.00 C ATOM 298 O LYS A 19 16.647 6.249 1.240 1.00 0.00 O ATOM 299 CB LYS A 19 18.714 8.099 -0.268 1.00 0.00 C ATOM 300 CG LYS A 19 18.352 9.569 -0.076 1.00 0.00 C ATOM 301 CD LYS A 19 19.516 10.379 0.497 1.00 0.00 C ATOM 302 CE LYS A 19 19.099 11.785 0.944 1.00 0.00 C ATOM 303 NZ LYS A 19 20.260 12.560 1.451 1.00 0.00 N ATOM 0 H LYS A 19 18.648 5.352 0.290 1.00 0.00 H new ATOM 0 HA LYS A 19 19.428 7.801 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.677 8.039 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.977 7.640 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.051 9.995 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.494 9.646 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.941 9.844 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.301 10.460 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.644 12.314 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.341 11.711 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.944 13.506 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.678 12.066 2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.972 12.651 0.698 1.00 0.00 H new ATOM 317 N SER A 20 17.073 8.013 2.554 1.00 0.00 N ATOM 318 CA SER A 20 15.765 7.999 3.174 1.00 0.00 C ATOM 319 C SER A 20 14.714 8.545 2.215 1.00 0.00 C ATOM 320 O SER A 20 14.954 9.520 1.500 1.00 0.00 O ATOM 321 CB SER A 20 15.805 8.814 4.457 1.00 0.00 C ATOM 322 OG SER A 20 16.691 8.223 5.398 1.00 0.00 O ATOM 0 H SER A 20 17.698 8.739 2.903 1.00 0.00 H new ATOM 0 HA SER A 20 15.492 6.972 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.126 9.832 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.804 8.880 4.884 1.00 0.00 H new ATOM 0 HG SER A 20 16.599 7.248 5.367 1.00 0.00 H new ATOM 328 N ASN A 21 13.553 7.910 2.204 1.00 0.00 N ATOM 329 CA ASN A 21 12.499 8.261 1.267 1.00 0.00 C ATOM 330 C ASN A 21 11.147 7.887 1.858 1.00 0.00 C ATOM 331 O ASN A 21 11.060 7.548 3.039 1.00 0.00 O ATOM 332 CB ASN A 21 12.713 7.532 -0.061 1.00 0.00 C ATOM 333 CG ASN A 21 12.391 8.417 -1.253 1.00 0.00 C ATOM 334 OD1 ASN A 21 12.679 9.614 -1.249 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.742 7.853 -2.257 1.00 0.00 N ATOM 0 H ASN A 21 13.317 7.146 2.837 1.00 0.00 H new ATOM 0 HA ASN A 21 12.525 9.335 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.748 7.196 -0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.086 6.641 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.463 8.413 -3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.520 6.858 -2.226 1.00 0.00 H new ATOM 342 N PHE A 22 10.095 7.923 1.044 1.00 0.00 N ATOM 343 CA PHE A 22 8.754 7.696 1.571 1.00 0.00 C ATOM 344 C PHE A 22 7.959 6.777 0.658 1.00 0.00 C ATOM 345 O PHE A 22 8.042 6.866 -0.571 1.00 0.00 O ATOM 346 CB PHE A 22 8.042 9.034 1.752 1.00 0.00 C ATOM 347 CG PHE A 22 7.135 9.140 2.930 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.396 10.085 3.909 1.00 0.00 C ATOM 349 CD2 PHE A 22 6.037 8.322 3.068 1.00 0.00 C ATOM 350 CE1 PHE A 22 6.578 10.208 5.008 1.00 0.00 C ATOM 351 CE2 PHE A 22 5.212 8.439 4.166 1.00 0.00 C ATOM 352 CZ PHE A 22 5.485 9.384 5.139 1.00 0.00 C ATOM 0 H PHE A 22 10.142 8.103 0.041 1.00 0.00 H new ATOM 0 HA PHE A 22 8.835 7.205 2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.797 9.817 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.461 9.238 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.253 10.734 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.820 7.583 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.793 10.948 5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.352 7.793 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.840 9.474 6.001 1.00 0.00 H new ATOM 362 N LEU A 23 7.177 5.919 1.285 1.00 0.00 N ATOM 363 CA LEU A 23 6.423 4.882 0.584 1.00 0.00 C ATOM 364 C LEU A 23 4.951 5.243 0.592 1.00 0.00 C ATOM 365 O LEU A 23 4.493 5.991 1.455 1.00 0.00 O ATOM 366 CB LEU A 23 6.608 3.525 1.276 1.00 0.00 C ATOM 367 CG LEU A 23 6.865 2.292 0.373 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.813 1.012 1.204 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.874 2.200 -0.786 1.00 0.00 C ATOM 0 H LEU A 23 7.042 5.916 2.296 1.00 0.00 H new ATOM 0 HA LEU A 23 6.789 4.813 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.443 3.613 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.717 3.326 1.871 1.00 0.00 H new ATOM 0 HG LEU A 23 7.859 2.412 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.995 0.152 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.577 1.051 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.830 0.918 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.098 1.319 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.860 2.123 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.955 3.093 -1.406 1.00 0.00 H new ATOM 381 N ASN A 24 4.221 4.723 -0.367 1.00 0.00 N ATOM 382 CA ASN A 24 2.795 4.962 -0.449 1.00 0.00 C ATOM 383 C ASN A 24 2.054 3.719 -0.929 1.00 0.00 C ATOM 384 O ASN A 24 2.424 3.114 -1.938 1.00 0.00 O ATOM 385 CB ASN A 24 2.521 6.145 -1.377 1.00 0.00 C ATOM 386 CG ASN A 24 1.049 6.382 -1.594 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.448 5.826 -2.507 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.464 7.220 -0.757 1.00 0.00 N ATOM 0 H ASN A 24 4.592 4.127 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 24 2.427 5.200 0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.972 7.044 -0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.002 5.967 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.530 7.429 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.006 7.658 -0.012 1.00 0.00 H new ATOM 395 N CYS A 25 1.018 3.340 -0.193 1.00 0.00 N ATOM 396 CA CYS A 25 0.143 2.245 -0.584 1.00 0.00 C ATOM 397 C CYS A 25 -1.297 2.746 -0.562 1.00 0.00 C ATOM 398 O CYS A 25 -1.800 3.193 0.475 1.00 0.00 O ATOM 399 CB CYS A 25 0.329 1.049 0.352 1.00 0.00 C ATOM 400 SG CYS A 25 -0.090 -0.562 -0.395 1.00 0.00 S ATOM 0 H CYS A 25 0.762 3.782 0.690 1.00 0.00 H new ATOM 0 HA CYS A 25 0.392 1.908 -1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.366 1.022 0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.288 1.197 1.238 1.00 0.00 H new ATOM 405 N TYR A 26 -1.944 2.679 -1.713 1.00 0.00 N ATOM 406 CA TYR A 26 -3.273 3.237 -1.899 1.00 0.00 C ATOM 407 C TYR A 26 -4.211 2.134 -2.340 1.00 0.00 C ATOM 408 O TYR A 26 -4.176 1.704 -3.493 1.00 0.00 O ATOM 409 CB TYR A 26 -3.265 4.339 -2.972 1.00 0.00 C ATOM 410 CG TYR A 26 -3.341 5.777 -2.470 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.274 6.648 -2.651 1.00 0.00 C ATOM 412 CD2 TYR A 26 -4.492 6.283 -1.868 1.00 0.00 C ATOM 413 CE1 TYR A 26 -2.344 7.968 -2.251 1.00 0.00 C ATOM 414 CE2 TYR A 26 -4.564 7.604 -1.461 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.491 8.440 -1.659 1.00 0.00 C ATOM 416 OH TYR A 26 -3.564 9.754 -1.260 1.00 0.00 O ATOM 0 H TYR A 26 -1.561 2.235 -2.548 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.602 3.671 -0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.356 4.232 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.106 4.167 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.369 6.285 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.342 5.634 -1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.501 8.626 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.461 7.977 -0.989 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.442 9.926 -0.861 1.00 0.00 H new ATOM 426 N VAL A 27 -5.025 1.650 -1.427 1.00 0.00 N ATOM 427 CA VAL A 27 -5.991 0.632 -1.771 1.00 0.00 C ATOM 428 C VAL A 27 -7.375 1.256 -1.814 1.00 0.00 C ATOM 429 O VAL A 27 -7.895 1.700 -0.790 1.00 0.00 O ATOM 430 CB VAL A 27 -5.984 -0.543 -0.775 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.574 -1.768 -1.437 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.580 -0.832 -0.271 1.00 0.00 C ATOM 0 H VAL A 27 -5.037 1.942 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.720 0.230 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.591 -0.271 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.569 -2.600 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.599 -1.558 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.980 -2.030 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.610 -1.666 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.937 -1.088 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.185 0.051 0.232 1.00 0.00 H new ATOM 442 N SER A 28 -7.958 1.318 -2.998 1.00 0.00 N ATOM 443 CA SER A 28 -9.234 1.980 -3.173 1.00 0.00 C ATOM 444 C SER A 28 -10.200 1.102 -3.957 1.00 0.00 C ATOM 445 O SER A 28 -9.800 0.090 -4.538 1.00 0.00 O ATOM 446 CB SER A 28 -9.032 3.319 -3.880 1.00 0.00 C ATOM 447 OG SER A 28 -8.356 3.149 -5.116 1.00 0.00 O ATOM 0 H SER A 28 -7.567 0.918 -3.851 1.00 0.00 H new ATOM 0 HA SER A 28 -9.669 2.160 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.999 3.791 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.460 3.989 -3.239 1.00 0.00 H new ATOM 0 HG SER A 28 -7.388 3.190 -4.968 1.00 0.00 H new ATOM 453 N GLY A 29 -11.467 1.502 -3.972 1.00 0.00 N ATOM 454 CA GLY A 29 -12.485 0.716 -4.626 1.00 0.00 C ATOM 455 C GLY A 29 -12.882 -0.463 -3.775 1.00 0.00 C ATOM 456 O GLY A 29 -12.286 -1.523 -3.881 1.00 0.00 O ATOM 0 H GLY A 29 -11.804 2.362 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.358 1.337 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.117 0.366 -5.590 1.00 0.00 H new ATOM 460 N PHE A 30 -13.933 -0.298 -2.979 1.00 0.00 N ATOM 461 CA PHE A 30 -14.253 -1.301 -1.960 1.00 0.00 C ATOM 462 C PHE A 30 -15.427 -0.851 -1.097 1.00 0.00 C ATOM 463 O PHE A 30 -15.875 0.292 -1.208 1.00 0.00 O ATOM 464 CB PHE A 30 -13.042 -1.716 -1.108 1.00 0.00 C ATOM 465 CG PHE A 30 -12.466 -0.681 -0.187 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.007 -0.467 1.071 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.327 0.017 -0.549 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.421 0.422 1.947 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.748 0.919 0.317 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.291 1.115 1.568 1.00 0.00 C ATOM 0 H PHE A 30 -14.567 0.500 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.552 -2.201 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.331 -2.579 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.252 -2.046 -1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.897 -1.002 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.887 -0.147 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.846 0.575 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.870 1.471 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.831 1.812 2.253 1.00 0.00 H new ATOM 480 N HIS A 31 -15.939 -1.757 -0.267 1.00 0.00 N ATOM 481 CA HIS A 31 -16.992 -1.425 0.699 1.00 0.00 C ATOM 482 C HIS A 31 -17.068 -2.582 1.714 1.00 0.00 C ATOM 483 O HIS A 31 -16.674 -3.695 1.366 1.00 0.00 O ATOM 484 CB HIS A 31 -18.356 -1.184 -0.013 1.00 0.00 C ATOM 485 CG HIS A 31 -19.445 -0.668 0.876 1.00 0.00 C ATOM 486 ND1 HIS A 31 -20.417 -1.499 1.383 1.00 0.00 N ATOM 487 CD2 HIS A 31 -19.676 0.598 1.304 1.00 0.00 C ATOM 488 CE1 HIS A 31 -21.214 -0.726 2.101 1.00 0.00 C ATOM 489 NE2 HIS A 31 -20.801 0.550 2.081 1.00 0.00 N ATOM 0 H HIS A 31 -15.642 -2.732 -0.242 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.757 -0.495 1.216 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.205 -0.476 -0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.686 -2.121 -0.462 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.087 1.474 1.076 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -22.085 -1.077 2.635 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.243 1.337 2.556 1.00 0.00 H new ATOM 497 N PRO A 32 -17.526 -2.390 2.977 1.00 0.00 N ATOM 498 CA PRO A 32 -17.923 -1.096 3.567 1.00 0.00 C ATOM 499 C PRO A 32 -16.746 -0.147 3.807 1.00 0.00 C ATOM 500 O PRO A 32 -15.677 -0.297 3.213 1.00 0.00 O ATOM 501 CB PRO A 32 -18.551 -1.490 4.915 1.00 0.00 C ATOM 502 CG PRO A 32 -18.814 -2.949 4.813 1.00 0.00 C ATOM 503 CD PRO A 32 -17.729 -3.483 3.937 1.00 0.00 C ATOM 0 HA PRO A 32 -18.589 -0.553 2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.877 -1.269 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.472 -0.936 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.796 -3.422 5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.797 -3.143 4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.822 -3.700 4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.026 -4.408 3.442 1.00 0.00 H new ATOM 511 N SER A 33 -16.988 0.836 4.670 1.00 0.00 N ATOM 512 CA SER A 33 -16.010 1.883 5.028 1.00 0.00 C ATOM 513 C SER A 33 -14.735 1.361 5.725 1.00 0.00 C ATOM 514 O SER A 33 -14.295 1.947 6.718 1.00 0.00 O ATOM 515 CB SER A 33 -16.696 2.896 5.951 1.00 0.00 C ATOM 516 OG SER A 33 -17.251 2.243 7.086 1.00 0.00 O ATOM 0 H SER A 33 -17.881 0.937 5.153 1.00 0.00 H new ATOM 0 HA SER A 33 -15.681 2.330 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.976 3.648 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.481 3.419 5.406 1.00 0.00 H new ATOM 0 HG SER A 33 -17.683 2.905 7.665 1.00 0.00 H new ATOM 522 N ASP A 34 -14.131 0.296 5.207 1.00 0.00 N ATOM 523 CA ASP A 34 -12.893 -0.228 5.784 1.00 0.00 C ATOM 524 C ASP A 34 -12.254 -1.294 4.896 1.00 0.00 C ATOM 525 O ASP A 34 -12.939 -2.075 4.239 1.00 0.00 O ATOM 526 CB ASP A 34 -13.145 -0.821 7.186 1.00 0.00 C ATOM 527 CG ASP A 34 -13.756 -2.211 7.145 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.044 -3.190 7.461 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.954 -2.332 6.813 1.00 0.00 O ATOM 0 H ASP A 34 -14.473 -0.219 4.396 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.205 0.614 5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.202 -0.861 7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.807 -0.156 7.741 1.00 0.00 H new ATOM 534 N ILE A 35 -10.928 -1.284 4.862 1.00 0.00 N ATOM 535 CA ILE A 35 -10.141 -2.358 4.271 1.00 0.00 C ATOM 536 C ILE A 35 -8.870 -2.513 5.094 1.00 0.00 C ATOM 537 O ILE A 35 -8.447 -1.560 5.754 1.00 0.00 O ATOM 538 CB ILE A 35 -9.750 -2.100 2.790 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.340 -3.424 2.137 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.610 -1.094 2.701 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.419 -3.294 0.937 1.00 0.00 C ATOM 0 H ILE A 35 -10.365 -0.525 5.246 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.755 -3.259 4.279 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.609 -1.685 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.848 -4.044 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.242 -3.953 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.352 -0.928 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.920 -0.152 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.741 -1.481 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.187 -4.285 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.911 -2.705 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.496 -2.798 1.238 1.00 0.00 H new ATOM 553 N GLU A 36 -8.272 -3.690 5.097 1.00 0.00 N ATOM 554 CA GLU A 36 -7.042 -3.895 5.836 1.00 0.00 C ATOM 555 C GLU A 36 -5.908 -4.210 4.874 1.00 0.00 C ATOM 556 O GLU A 36 -5.981 -5.168 4.095 1.00 0.00 O ATOM 557 CB GLU A 36 -7.201 -5.042 6.830 1.00 0.00 C ATOM 558 CG GLU A 36 -6.129 -5.071 7.913 1.00 0.00 C ATOM 559 CD GLU A 36 -6.077 -3.790 8.713 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.403 -2.843 8.269 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.697 -3.733 9.797 1.00 0.00 O ATOM 0 H GLU A 36 -8.615 -4.512 4.600 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.811 -2.982 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.180 -4.967 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.181 -5.987 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.319 -5.908 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.157 -5.247 7.452 1.00 0.00 H new ATOM 568 N VAL A 37 -4.867 -3.406 4.933 1.00 0.00 N ATOM 569 CA VAL A 37 -3.717 -3.571 4.058 1.00 0.00 C ATOM 570 C VAL A 37 -2.423 -3.478 4.865 1.00 0.00 C ATOM 571 O VAL A 37 -2.296 -2.658 5.775 1.00 0.00 O ATOM 572 CB VAL A 37 -3.739 -2.564 2.862 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.800 -1.507 3.081 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.377 -1.911 2.593 1.00 0.00 C ATOM 0 H VAL A 37 -4.790 -2.624 5.583 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.768 -4.565 3.615 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.982 -3.145 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.802 -0.814 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.777 -1.983 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.586 -0.961 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.463 -1.224 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.056 -1.362 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.644 -2.682 2.359 1.00 0.00 H new ATOM 584 N ASP A 38 -1.494 -4.352 4.533 1.00 0.00 N ATOM 585 CA ASP A 38 -0.221 -4.451 5.236 1.00 0.00 C ATOM 586 C ASP A 38 0.930 -4.390 4.247 1.00 0.00 C ATOM 587 O ASP A 38 0.827 -4.892 3.132 1.00 0.00 O ATOM 588 CB ASP A 38 -0.165 -5.736 6.089 1.00 0.00 C ATOM 589 CG ASP A 38 1.232 -6.277 6.275 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.074 -5.550 6.837 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.472 -7.444 5.897 1.00 0.00 O ATOM 0 H ASP A 38 -1.596 -5.017 3.767 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.128 -3.604 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.600 -5.532 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.783 -6.501 5.619 1.00 0.00 H new ATOM 596 N LEU A 39 2.014 -3.758 4.656 1.00 0.00 N ATOM 597 CA LEU A 39 3.171 -3.584 3.801 1.00 0.00 C ATOM 598 C LEU A 39 4.215 -4.645 4.136 1.00 0.00 C ATOM 599 O LEU A 39 4.448 -4.951 5.306 1.00 0.00 O ATOM 600 CB LEU A 39 3.782 -2.194 3.996 1.00 0.00 C ATOM 601 CG LEU A 39 2.840 -0.994 3.882 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.638 0.299 4.000 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.049 -1.009 2.590 1.00 0.00 C ATOM 0 H LEU A 39 2.116 -3.353 5.586 1.00 0.00 H new ATOM 0 HA LEU A 39 2.855 -3.687 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.248 -2.165 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.578 -2.069 3.262 1.00 0.00 H new ATOM 0 HG LEU A 39 2.121 -1.057 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.964 1.151 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.144 0.328 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.378 0.344 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.394 -0.138 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.735 -0.983 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.448 -1.917 2.542 1.00 0.00 H new ATOM 615 N LEU A 40 4.857 -5.187 3.117 1.00 0.00 N ATOM 616 CA LEU A 40 5.821 -6.260 3.308 1.00 0.00 C ATOM 617 C LEU A 40 7.199 -5.851 2.880 1.00 0.00 C ATOM 618 O LEU A 40 7.391 -4.843 2.208 1.00 0.00 O ATOM 619 CB LEU A 40 5.460 -7.487 2.503 1.00 0.00 C ATOM 620 CG LEU A 40 3.983 -7.806 2.442 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.724 -8.900 1.419 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.471 -8.213 3.811 1.00 0.00 C ATOM 0 H LEU A 40 4.729 -4.902 2.146 1.00 0.00 H new ATOM 0 HA LEU A 40 5.801 -6.483 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.829 -7.356 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.984 -8.345 2.924 1.00 0.00 H new ATOM 0 HG LEU A 40 3.443 -6.911 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.657 -9.121 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.057 -8.566 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.272 -9.799 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.406 -8.439 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.010 -9.096 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.628 -7.396 4.516 1.00 0.00 H new ATOM 634 N LYS A 41 8.152 -6.649 3.296 1.00 0.00 N ATOM 635 CA LYS A 41 9.511 -6.576 2.813 1.00 0.00 C ATOM 636 C LYS A 41 9.980 -7.965 2.489 1.00 0.00 C ATOM 637 O LYS A 41 10.105 -8.805 3.379 1.00 0.00 O ATOM 638 CB LYS A 41 10.445 -5.992 3.853 1.00 0.00 C ATOM 639 CG LYS A 41 10.042 -4.602 4.312 1.00 0.00 C ATOM 640 CD LYS A 41 11.157 -3.939 5.106 1.00 0.00 C ATOM 641 CE LYS A 41 12.426 -3.804 4.271 1.00 0.00 C ATOM 642 NZ LYS A 41 13.521 -3.121 5.008 1.00 0.00 N ATOM 0 H LYS A 41 8.003 -7.380 3.992 1.00 0.00 H new ATOM 0 HA LYS A 41 9.524 -5.932 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.477 -6.657 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.454 -5.953 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.794 -3.988 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.143 -4.665 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.832 -2.954 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.368 -4.525 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.762 -4.794 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.201 -3.247 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.201 -2.723 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.124 -2.356 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.006 -3.806 5.622 1.00 0.00 H new ATOM 656 N ASN A 42 10.193 -8.199 1.214 1.00 0.00 N ATOM 657 CA ASN A 42 10.595 -9.515 0.688 1.00 0.00 C ATOM 658 C ASN A 42 9.449 -10.523 0.810 1.00 0.00 C ATOM 659 O ASN A 42 9.336 -11.459 0.018 1.00 0.00 O ATOM 660 CB ASN A 42 11.844 -10.046 1.424 1.00 0.00 C ATOM 661 CG ASN A 42 13.088 -9.211 1.170 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.265 -8.654 0.090 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.955 -9.110 2.166 1.00 0.00 N ATOM 0 H ASN A 42 10.095 -7.484 0.493 1.00 0.00 H new ATOM 0 HA ASN A 42 10.840 -9.389 -0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.643 -10.071 2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.033 -11.073 1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.803 -8.555 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.775 -9.587 3.049 1.00 0.00 H new ATOM 670 N GLY A 43 8.595 -10.296 1.794 1.00 0.00 N ATOM 671 CA GLY A 43 7.498 -11.183 2.080 1.00 0.00 C ATOM 672 C GLY A 43 7.122 -11.136 3.549 1.00 0.00 C ATOM 673 O GLY A 43 6.191 -11.817 3.977 1.00 0.00 O ATOM 0 H GLY A 43 8.650 -9.488 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.636 -10.907 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.769 -12.202 1.804 1.00 0.00 H new ATOM 677 N GLU A 44 7.852 -10.335 4.335 1.00 0.00 N ATOM 678 CA GLU A 44 7.636 -10.262 5.771 1.00 0.00 C ATOM 679 C GLU A 44 6.953 -8.946 6.146 1.00 0.00 C ATOM 680 O GLU A 44 7.197 -7.919 5.516 1.00 0.00 O ATOM 681 CB GLU A 44 8.985 -10.378 6.474 1.00 0.00 C ATOM 682 CG GLU A 44 9.786 -11.593 6.046 1.00 0.00 C ATOM 683 CD GLU A 44 11.128 -11.685 6.740 1.00 0.00 C ATOM 684 OE1 GLU A 44 11.984 -10.807 6.511 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.344 -12.646 7.507 1.00 0.00 O ATOM 0 H GLU A 44 8.598 -9.730 3.992 1.00 0.00 H new ATOM 0 HA GLU A 44 6.985 -11.078 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.568 -9.479 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.822 -10.420 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.211 -12.494 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.941 -11.559 4.968 1.00 0.00 H new ATOM 692 N ARG A 45 6.093 -8.994 7.162 1.00 0.00 N ATOM 693 CA ARG A 45 5.320 -7.827 7.598 1.00 0.00 C ATOM 694 C ARG A 45 6.230 -6.742 8.207 1.00 0.00 C ATOM 695 O ARG A 45 7.051 -7.018 9.084 1.00 0.00 O ATOM 696 CB ARG A 45 4.258 -8.269 8.617 1.00 0.00 C ATOM 697 CG ARG A 45 3.233 -7.197 8.952 1.00 0.00 C ATOM 698 CD ARG A 45 2.130 -7.703 9.892 1.00 0.00 C ATOM 699 NE ARG A 45 1.832 -6.720 10.929 1.00 0.00 N ATOM 700 CZ ARG A 45 0.618 -6.479 11.413 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.432 -7.160 10.970 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.452 -5.562 12.355 1.00 0.00 N ATOM 0 H ARG A 45 5.911 -9.838 7.705 1.00 0.00 H new ATOM 0 HA ARG A 45 4.831 -7.392 6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.738 -9.144 8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.758 -8.578 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.738 -6.349 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.780 -6.833 8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.228 -7.916 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.442 -8.640 10.353 1.00 0.00 H new ATOM 0 HE ARG A 45 2.610 -6.180 11.309 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.311 -7.875 10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.360 -6.968 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.255 -5.042 12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.479 -5.376 12.727 1.00 0.00 H new ATOM 716 N ILE A 46 6.068 -5.516 7.707 1.00 0.00 N ATOM 717 CA ILE A 46 6.933 -4.367 8.042 1.00 0.00 C ATOM 718 C ILE A 46 6.901 -3.856 9.519 1.00 0.00 C ATOM 719 O ILE A 46 7.946 -3.517 10.061 1.00 0.00 O ATOM 720 CB ILE A 46 6.630 -3.215 7.058 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.319 -3.474 5.720 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.041 -1.883 7.630 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.108 -2.382 4.692 1.00 0.00 C ATOM 0 H ILE A 46 5.325 -5.283 7.049 1.00 0.00 H new ATOM 0 HA ILE A 46 7.952 -4.741 7.939 1.00 0.00 H new ATOM 0 HB ILE A 46 5.553 -3.178 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.389 -3.594 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.954 -4.417 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.814 -1.094 6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.495 -1.700 8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.111 -1.890 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.630 -2.643 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.043 -2.276 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.500 -1.440 5.076 1.00 0.00 H new ATOM 735 N GLU A 47 5.728 -3.882 10.165 1.00 0.00 N ATOM 736 CA GLU A 47 5.479 -3.379 11.559 1.00 0.00 C ATOM 737 C GLU A 47 5.802 -1.902 11.783 1.00 0.00 C ATOM 738 O GLU A 47 5.584 -1.377 12.873 1.00 0.00 O ATOM 739 CB GLU A 47 6.230 -4.227 12.587 1.00 0.00 C ATOM 740 CG GLU A 47 6.635 -5.563 12.039 1.00 0.00 C ATOM 741 CD GLU A 47 5.501 -6.560 12.076 1.00 0.00 C ATOM 742 OE1 GLU A 47 5.712 -7.675 12.596 1.00 0.00 O ATOM 743 OE2 GLU A 47 4.393 -6.225 11.617 1.00 0.00 O ATOM 0 H GLU A 47 4.886 -4.263 9.733 1.00 0.00 H new ATOM 0 HA GLU A 47 4.402 -3.475 11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.118 -3.689 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.599 -4.373 13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.979 -5.444 11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.476 -5.950 12.614 1.00 0.00 H new ATOM 750 N LYS A 48 6.284 -1.235 10.761 1.00 0.00 N ATOM 751 CA LYS A 48 6.659 0.172 10.862 1.00 0.00 C ATOM 752 C LYS A 48 5.718 1.009 10.006 1.00 0.00 C ATOM 753 O LYS A 48 5.970 2.176 9.706 1.00 0.00 O ATOM 754 CB LYS A 48 8.101 0.329 10.398 1.00 0.00 C ATOM 755 CG LYS A 48 8.891 -0.937 10.646 1.00 0.00 C ATOM 756 CD LYS A 48 9.938 -0.761 11.715 1.00 0.00 C ATOM 757 CE LYS A 48 10.657 -2.067 12.005 1.00 0.00 C ATOM 758 NZ LYS A 48 11.390 -2.574 10.817 1.00 0.00 N ATOM 0 H LYS A 48 6.430 -1.642 9.837 1.00 0.00 H new ATOM 0 HA LYS A 48 6.580 0.515 11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.121 0.572 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.567 1.162 10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.209 -1.736 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.371 -1.250 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.660 -0.008 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.470 -0.391 12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.357 -1.921 12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.934 -2.814 12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.013 -3.357 11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.709 -2.913 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.962 -1.807 10.409 1.00 0.00 H new ATOM 772 N VAL A 49 4.648 0.360 9.591 1.00 0.00 N ATOM 773 CA VAL A 49 3.609 0.970 8.786 1.00 0.00 C ATOM 774 C VAL A 49 2.639 1.777 9.639 1.00 0.00 C ATOM 775 O VAL A 49 2.278 1.363 10.740 1.00 0.00 O ATOM 776 CB VAL A 49 2.822 -0.127 8.054 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.756 0.466 7.151 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.767 -1.014 7.273 1.00 0.00 C ATOM 0 H VAL A 49 4.474 -0.621 9.807 1.00 0.00 H new ATOM 0 HA VAL A 49 4.089 1.643 8.076 1.00 0.00 H new ATOM 0 HB VAL A 49 2.311 -0.737 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.217 -0.337 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.058 1.052 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.226 1.109 6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.198 -1.788 6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.308 -0.414 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.477 -1.480 7.956 1.00 0.00 H new ATOM 788 N GLU A 50 2.220 2.925 9.125 1.00 0.00 N ATOM 789 CA GLU A 50 1.195 3.725 9.771 1.00 0.00 C ATOM 790 C GLU A 50 0.172 4.189 8.746 1.00 0.00 C ATOM 791 O GLU A 50 0.500 4.427 7.580 1.00 0.00 O ATOM 792 CB GLU A 50 1.791 4.944 10.481 1.00 0.00 C ATOM 793 CG GLU A 50 2.883 4.612 11.481 1.00 0.00 C ATOM 794 CD GLU A 50 3.347 5.832 12.252 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.768 6.110 13.326 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.280 6.522 11.790 1.00 0.00 O ATOM 0 H GLU A 50 2.578 3.323 8.257 1.00 0.00 H new ATOM 0 HA GLU A 50 0.712 3.097 10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.195 5.625 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.992 5.476 10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.516 3.861 12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.731 4.172 10.957 1.00 0.00 H new ATOM 803 N HIS A 51 -1.065 4.293 9.187 1.00 0.00 N ATOM 804 CA HIS A 51 -2.140 4.820 8.353 1.00 0.00 C ATOM 805 C HIS A 51 -2.592 6.182 8.861 1.00 0.00 C ATOM 806 O HIS A 51 -2.795 6.377 10.062 1.00 0.00 O ATOM 807 CB HIS A 51 -3.332 3.852 8.285 1.00 0.00 C ATOM 808 CG HIS A 51 -3.920 3.469 9.617 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.143 3.953 10.024 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.429 2.646 10.579 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.366 3.414 11.212 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.357 2.620 11.587 1.00 0.00 N ATOM 0 H HIS A 51 -1.358 4.019 10.125 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.746 4.933 7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.114 4.306 7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.015 2.945 7.771 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.489 2.115 10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.251 3.593 11.804 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.291 2.094 12.459 1.00 0.00 H new ATOM 820 N SER A 52 -2.712 7.129 7.943 1.00 0.00 N ATOM 821 CA SER A 52 -3.146 8.476 8.285 1.00 0.00 C ATOM 822 C SER A 52 -4.669 8.597 8.317 1.00 0.00 C ATOM 823 O SER A 52 -5.386 7.602 8.181 1.00 0.00 O ATOM 824 CB SER A 52 -2.546 9.487 7.302 1.00 0.00 C ATOM 825 OG SER A 52 -1.195 9.758 7.629 1.00 0.00 O ATOM 0 H SER A 52 -2.514 6.989 6.952 1.00 0.00 H new ATOM 0 HA SER A 52 -2.785 8.695 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.609 9.096 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.124 10.411 7.324 1.00 0.00 H new ATOM 0 HG SER A 52 -0.827 10.404 6.990 1.00 0.00 H new ATOM 973 N PHE A 62 -14.199 6.523 -0.742 1.00 0.00 N ATOM 974 CA PHE A 62 -13.451 6.798 0.474 1.00 0.00 C ATOM 975 C PHE A 62 -12.053 6.197 0.382 1.00 0.00 C ATOM 976 O PHE A 62 -11.888 5.048 -0.032 1.00 0.00 O ATOM 977 CB PHE A 62 -14.200 6.263 1.701 1.00 0.00 C ATOM 978 CG PHE A 62 -14.885 4.938 1.482 1.00 0.00 C ATOM 979 CD1 PHE A 62 -14.238 3.749 1.774 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.185 4.888 0.996 1.00 0.00 C ATOM 981 CE1 PHE A 62 -14.875 2.537 1.588 1.00 0.00 C ATOM 982 CE2 PHE A 62 -16.822 3.678 0.806 1.00 0.00 C ATOM 983 CZ PHE A 62 -16.166 2.502 1.103 1.00 0.00 C ATOM 0 HA PHE A 62 -13.352 7.878 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.495 6.162 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -14.945 6.998 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.226 3.769 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.704 5.806 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -14.362 1.616 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.832 3.653 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 62 -16.663 1.554 0.956 1.00 0.00 H new ATOM 993 N TYR A 63 -11.051 6.982 0.752 1.00 0.00 N ATOM 994 CA TYR A 63 -9.667 6.573 0.581 1.00 0.00 C ATOM 995 C TYR A 63 -9.051 6.192 1.923 1.00 0.00 C ATOM 996 O TYR A 63 -9.386 6.776 2.955 1.00 0.00 O ATOM 997 CB TYR A 63 -8.845 7.719 -0.042 1.00 0.00 C ATOM 998 CG TYR A 63 -9.429 8.327 -1.307 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.138 7.801 -2.561 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.249 9.451 -1.245 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.650 8.375 -3.715 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.766 10.024 -2.393 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.462 9.482 -3.623 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.970 10.055 -4.769 1.00 0.00 O ATOM 0 H TYR A 63 -11.172 7.904 1.172 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.650 5.708 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.732 8.508 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.845 7.346 -0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.503 6.931 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.485 9.883 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.413 7.955 -4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.405 10.892 -2.326 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.525 10.827 -4.531 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.142 5.224 1.903 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.369 4.872 3.083 1.00 0.00 C ATOM 1016 C LEU A 64 -5.924 4.593 2.672 1.00 0.00 C ATOM 1017 O LEU A 64 -5.666 3.845 1.729 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.033 3.678 3.795 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.198 2.944 4.845 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.016 2.753 6.113 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.748 1.602 4.294 1.00 0.00 C ATOM 0 H LEU A 64 -7.923 4.668 1.077 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.349 5.697 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.944 4.034 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.334 2.956 3.036 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.316 3.537 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.416 2.230 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.313 3.726 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.906 2.166 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.153 1.081 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.622 1.001 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.146 1.760 3.399 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.994 5.222 3.383 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.585 5.198 3.005 1.00 0.00 C ATOM 1035 C LEU A 65 -2.761 4.421 4.024 1.00 0.00 C ATOM 1036 O LEU A 65 -2.884 4.643 5.227 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.061 6.637 2.911 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.044 6.927 1.798 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.796 8.429 1.701 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.728 6.192 2.032 1.00 0.00 C ATOM 0 H LEU A 65 -5.192 5.757 4.228 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.492 4.703 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.914 7.302 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.604 6.896 3.866 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.462 6.565 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.074 8.628 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.732 8.938 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.405 8.795 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.034 6.422 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.297 6.510 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.911 5.118 2.058 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.923 3.522 3.536 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.988 2.796 4.388 1.00 0.00 C ATOM 1054 C TYR A 66 0.435 3.009 3.892 1.00 0.00 C ATOM 1055 O TYR A 66 0.770 2.646 2.771 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.315 1.302 4.439 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.263 0.893 5.550 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.782 0.610 6.824 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.627 0.747 5.326 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.624 0.198 7.837 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.474 0.340 6.337 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.968 0.065 7.588 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.806 -0.354 8.593 1.00 0.00 O ATOM 0 H TYR A 66 -1.869 3.274 2.548 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.081 3.187 5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.749 1.007 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.385 0.745 4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.726 0.715 7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.030 0.955 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.229 -0.018 8.819 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.532 0.237 6.147 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.825 -1.334 8.616 1.00 0.00 H new ATOM 1073 N TYR A 67 1.262 3.624 4.723 1.00 0.00 N ATOM 1074 CA TYR A 67 2.624 3.960 4.318 1.00 0.00 C ATOM 1075 C TYR A 67 3.635 3.639 5.408 1.00 0.00 C ATOM 1076 O TYR A 67 3.270 3.350 6.547 1.00 0.00 O ATOM 1077 CB TYR A 67 2.715 5.449 3.952 1.00 0.00 C ATOM 1078 CG TYR A 67 2.393 6.398 5.087 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.142 6.989 5.189 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.349 6.720 6.041 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.854 7.873 6.209 1.00 0.00 C ATOM 1082 CE2 TYR A 67 3.070 7.598 7.063 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.822 8.175 7.144 1.00 0.00 C ATOM 1084 OH TYR A 67 1.542 9.051 8.166 1.00 0.00 O ATOM 0 H TYR A 67 1.020 3.900 5.675 1.00 0.00 H new ATOM 0 HA TYR A 67 2.865 3.351 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.722 5.661 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.034 5.649 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.382 6.754 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.330 6.273 5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.124 8.326 6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.826 7.833 7.798 1.00 0.00 H new ATOM 0 HH TYR A 67 0.622 9.376 8.075 1.00 0.00 H new ATOM 1094 N THR A 68 4.908 3.692 5.042 1.00 0.00 N ATOM 1095 CA THR A 68 5.993 3.538 5.994 1.00 0.00 C ATOM 1096 C THR A 68 7.198 4.340 5.508 1.00 0.00 C ATOM 1097 O THR A 68 7.445 4.442 4.303 1.00 0.00 O ATOM 1098 CB THR A 68 6.387 2.050 6.200 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.354 1.940 7.250 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.956 1.436 4.924 1.00 0.00 C ATOM 0 H THR A 68 5.214 3.842 4.081 1.00 0.00 H new ATOM 0 HA THR A 68 5.654 3.913 6.960 1.00 0.00 H new ATOM 0 HB THR A 68 5.482 1.505 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.926 2.130 8.111 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.220 0.395 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.209 1.487 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.846 1.988 4.620 1.00 0.00 H new ATOM 1108 N GLU A 69 7.900 4.956 6.440 1.00 0.00 N ATOM 1109 CA GLU A 69 9.109 5.697 6.125 1.00 0.00 C ATOM 1110 C GLU A 69 10.285 4.722 6.115 1.00 0.00 C ATOM 1111 O GLU A 69 10.456 3.946 7.059 1.00 0.00 O ATOM 1112 CB GLU A 69 9.306 6.795 7.171 1.00 0.00 C ATOM 1113 CG GLU A 69 10.290 7.881 6.786 1.00 0.00 C ATOM 1114 CD GLU A 69 10.685 8.724 7.979 1.00 0.00 C ATOM 1115 OE1 GLU A 69 9.868 9.557 8.423 1.00 0.00 O ATOM 1116 OE2 GLU A 69 11.803 8.543 8.496 1.00 0.00 O ATOM 0 H GLU A 69 7.652 4.958 7.429 1.00 0.00 H new ATOM 0 HA GLU A 69 9.036 6.169 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.340 7.257 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.642 6.334 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.180 7.428 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.848 8.518 6.020 1.00 0.00 H new ATOM 1123 N PHE A 70 11.083 4.751 5.058 1.00 0.00 N ATOM 1124 CA PHE A 70 12.094 3.718 4.850 1.00 0.00 C ATOM 1125 C PHE A 70 13.355 4.298 4.202 1.00 0.00 C ATOM 1126 O PHE A 70 13.363 5.448 3.752 1.00 0.00 O ATOM 1127 CB PHE A 70 11.523 2.555 4.009 1.00 0.00 C ATOM 1128 CG PHE A 70 11.139 2.903 2.588 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.985 1.903 1.648 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.931 4.212 2.197 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.636 2.193 0.344 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.582 4.518 0.893 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.435 3.507 -0.038 1.00 0.00 C ATOM 0 H PHE A 70 11.053 5.470 4.335 1.00 0.00 H new ATOM 0 HA PHE A 70 12.377 3.324 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.262 1.754 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.644 2.160 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.141 0.874 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.042 5.007 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.520 1.396 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.425 5.546 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.165 3.742 -1.057 1.00 0.00 H new ATOM 1143 N THR A 71 14.409 3.495 4.161 1.00 0.00 N ATOM 1144 CA THR A 71 15.629 3.838 3.448 1.00 0.00 C ATOM 1145 C THR A 71 15.951 2.735 2.435 1.00 0.00 C ATOM 1146 O THR A 71 16.655 1.775 2.757 1.00 0.00 O ATOM 1147 CB THR A 71 16.816 4.020 4.419 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.496 5.023 5.398 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.089 4.422 3.677 1.00 0.00 C ATOM 0 H THR A 71 14.441 2.586 4.622 1.00 0.00 H new ATOM 0 HA THR A 71 15.471 4.785 2.931 1.00 0.00 H new ATOM 0 HB THR A 71 16.995 3.064 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.252 5.133 6.012 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.904 4.541 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.349 3.648 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.923 5.364 3.154 1.00 0.00 H new ATOM 1157 N PRO A 72 15.383 2.834 1.216 1.00 0.00 N ATOM 1158 CA PRO A 72 15.567 1.837 0.154 1.00 0.00 C ATOM 1159 C PRO A 72 17.026 1.498 -0.116 1.00 0.00 C ATOM 1160 O PRO A 72 17.918 2.336 0.028 1.00 0.00 O ATOM 1161 CB PRO A 72 14.951 2.500 -1.095 1.00 0.00 C ATOM 1162 CG PRO A 72 14.680 3.920 -0.715 1.00 0.00 C ATOM 1163 CD PRO A 72 14.496 3.918 0.775 1.00 0.00 C ATOM 0 HA PRO A 72 15.104 0.891 0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.634 2.446 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.033 1.994 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.508 4.567 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.789 4.296 -1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.776 4.874 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.459 3.730 1.053 1.00 0.00 H new ATOM 1171 N THR A 73 17.240 0.267 -0.537 1.00 0.00 N ATOM 1172 CA THR A 73 18.554 -0.214 -0.898 1.00 0.00 C ATOM 1173 C THR A 73 18.427 -1.061 -2.154 1.00 0.00 C ATOM 1174 O THR A 73 17.317 -1.274 -2.644 1.00 0.00 O ATOM 1175 CB THR A 73 19.224 -1.045 0.225 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.527 -2.280 0.412 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.250 -0.277 1.541 1.00 0.00 C ATOM 0 H THR A 73 16.502 -0.429 -0.638 1.00 0.00 H new ATOM 0 HA THR A 73 19.193 0.653 -1.067 1.00 0.00 H new ATOM 0 HB THR A 73 20.251 -1.246 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.594 -2.175 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.726 -0.887 2.309 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.812 0.648 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.230 -0.042 1.845 1.00 0.00 H new ATOM 1185 N GLU A 74 19.539 -1.513 -2.696 1.00 0.00 N ATOM 1186 CA GLU A 74 19.497 -2.378 -3.865 1.00 0.00 C ATOM 1187 C GLU A 74 18.892 -3.740 -3.517 1.00 0.00 C ATOM 1188 O GLU A 74 18.135 -4.318 -4.297 1.00 0.00 O ATOM 1189 CB GLU A 74 20.903 -2.583 -4.418 1.00 0.00 C ATOM 1190 CG GLU A 74 20.952 -2.698 -5.916 1.00 0.00 C ATOM 1191 CD GLU A 74 20.864 -1.353 -6.606 1.00 0.00 C ATOM 1192 OE1 GLU A 74 21.916 -0.705 -6.786 1.00 0.00 O ATOM 1193 OE2 GLU A 74 19.745 -0.939 -6.973 1.00 0.00 O ATOM 0 H GLU A 74 20.476 -1.301 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 74 18.872 -1.895 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.532 -1.749 -4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.329 -3.485 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.878 -3.193 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.132 -3.331 -6.255 1.00 0.00 H new ATOM 1200 N LYS A 75 19.237 -4.232 -2.332 1.00 0.00 N ATOM 1201 CA LYS A 75 18.946 -5.596 -1.941 1.00 0.00 C ATOM 1202 C LYS A 75 17.595 -5.753 -1.255 1.00 0.00 C ATOM 1203 O LYS A 75 16.944 -6.784 -1.428 1.00 0.00 O ATOM 1204 CB LYS A 75 20.054 -6.104 -1.019 1.00 0.00 C ATOM 1205 CG LYS A 75 21.393 -6.264 -1.719 1.00 0.00 C ATOM 1206 CD LYS A 75 22.544 -5.893 -0.816 1.00 0.00 C ATOM 1207 CE LYS A 75 23.876 -5.954 -1.560 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.131 -7.290 -2.157 1.00 0.00 N ATOM 0 H LYS A 75 19.726 -3.691 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 75 18.900 -6.187 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.169 -5.412 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.755 -7.064 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.509 -7.296 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.414 -5.638 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.391 -4.888 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.571 -6.569 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.884 -5.200 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.685 -5.706 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.106 -7.329 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.000 -8.025 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.466 -7.453 -2.940 1.00 0.00 H new ATOM 1222 N ASP A 76 17.148 -4.761 -0.494 1.00 0.00 N ATOM 1223 CA ASP A 76 15.938 -4.955 0.289 1.00 0.00 C ATOM 1224 C ASP A 76 14.703 -4.593 -0.533 1.00 0.00 C ATOM 1225 O ASP A 76 14.726 -3.682 -1.356 1.00 0.00 O ATOM 1226 CB ASP A 76 15.993 -4.204 1.639 1.00 0.00 C ATOM 1227 CG ASP A 76 15.637 -2.730 1.585 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.034 -2.035 0.637 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.990 -2.251 2.546 1.00 0.00 O ATOM 0 H ASP A 76 17.588 -3.845 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 76 15.865 -6.013 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.316 -4.697 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.999 -4.302 2.048 1.00 0.00 H new ATOM 1234 N GLU A 77 13.628 -5.328 -0.299 1.00 0.00 N ATOM 1235 CA GLU A 77 12.465 -5.288 -1.176 1.00 0.00 C ATOM 1236 C GLU A 77 11.219 -5.073 -0.354 1.00 0.00 C ATOM 1237 O GLU A 77 11.149 -5.527 0.782 1.00 0.00 O ATOM 1238 CB GLU A 77 12.356 -6.608 -1.939 1.00 0.00 C ATOM 1239 CG GLU A 77 11.286 -6.646 -3.021 1.00 0.00 C ATOM 1240 CD GLU A 77 11.770 -6.047 -4.322 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.324 -6.804 -5.151 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.607 -4.827 -4.520 1.00 0.00 O ATOM 0 H GLU A 77 13.535 -5.963 0.494 1.00 0.00 H new ATOM 0 HA GLU A 77 12.574 -4.468 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.321 -6.825 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.156 -7.406 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.979 -7.678 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.405 -6.103 -2.678 1.00 0.00 H new ATOM 1249 N TYR A 78 10.246 -4.372 -0.908 1.00 0.00 N ATOM 1250 CA TYR A 78 9.005 -4.150 -0.196 1.00 0.00 C ATOM 1251 C TYR A 78 7.808 -4.499 -1.056 1.00 0.00 C ATOM 1252 O TYR A 78 7.869 -4.456 -2.283 1.00 0.00 O ATOM 1253 CB TYR A 78 8.894 -2.702 0.320 1.00 0.00 C ATOM 1254 CG TYR A 78 10.220 -2.030 0.620 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.664 -1.890 1.927 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.022 -1.527 -0.401 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.867 -1.275 2.207 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.224 -0.913 -0.124 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.642 -0.792 1.180 1.00 0.00 C ATOM 1260 OH TYR A 78 13.835 -0.177 1.460 1.00 0.00 O ATOM 0 H TYR A 78 10.291 -3.952 -1.837 1.00 0.00 H new ATOM 0 HA TYR A 78 9.011 -4.813 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.361 -2.107 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.288 -2.700 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.059 -2.268 2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.697 -1.620 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.198 -1.174 3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.835 -0.529 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 78 14.279 -0.645 2.198 1.00 0.00 H new ATOM 1270 N ALA A 79 6.724 -4.868 -0.393 1.00 0.00 N ATOM 1271 CA ALA A 79 5.500 -5.277 -1.074 1.00 0.00 C ATOM 1272 C ALA A 79 4.265 -4.734 -0.360 1.00 0.00 C ATOM 1273 O ALA A 79 4.345 -4.289 0.775 1.00 0.00 O ATOM 1274 CB ALA A 79 5.449 -6.795 -1.180 1.00 0.00 C ATOM 0 H ALA A 79 6.664 -4.894 0.625 1.00 0.00 H new ATOM 0 HA ALA A 79 5.504 -4.857 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.533 -7.094 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.311 -7.149 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.467 -7.230 -0.181 1.00 0.00 H new ATOM 1280 N CYS A 80 3.137 -4.723 -1.048 1.00 0.00 N ATOM 1281 CA CYS A 80 1.874 -4.279 -0.472 1.00 0.00 C ATOM 1282 C CYS A 80 0.869 -5.430 -0.461 1.00 0.00 C ATOM 1283 O CYS A 80 0.689 -6.108 -1.473 1.00 0.00 O ATOM 1284 CB CYS A 80 1.309 -3.112 -1.287 1.00 0.00 C ATOM 1285 SG CYS A 80 1.721 -1.459 -0.643 1.00 0.00 S ATOM 0 H CYS A 80 3.068 -5.021 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 80 2.052 -3.950 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.677 -3.190 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.224 -3.209 -1.330 1.00 0.00 H new ATOM 1290 N ARG A 81 0.231 -5.654 0.678 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.777 -6.705 0.814 1.00 0.00 C ATOM 1292 C ARG A 81 -2.119 -6.102 1.193 1.00 0.00 C ATOM 1293 O ARG A 81 -2.175 -5.201 2.022 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.385 -7.668 1.928 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.124 -8.990 1.908 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.206 -9.586 3.310 1.00 0.00 C ATOM 1297 NE ARG A 81 0.035 -9.452 4.074 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.599 -10.436 4.778 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.159 -11.685 4.682 1.00 0.00 N ATOM 1300 NH2 ARG A 81 1.617 -10.163 5.580 1.00 0.00 N ATOM 0 H ARG A 81 0.393 -5.119 1.531 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.845 -7.225 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.685 -7.864 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.561 -7.183 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.128 -8.844 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.615 -9.686 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.014 -9.100 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.464 -10.642 3.233 1.00 0.00 H new ATOM 0 HE ARG A 81 0.501 -8.545 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.621 -11.905 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.601 -12.425 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.964 -9.207 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.054 -10.909 6.122 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.202 -6.604 0.612 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.535 -6.185 1.038 1.00 0.00 C ATOM 1316 C VAL A 82 -5.459 -7.381 1.174 1.00 0.00 C ATOM 1317 O VAL A 82 -5.367 -8.355 0.424 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.188 -5.146 0.100 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.157 -4.177 -0.402 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.924 -5.798 -1.055 1.00 0.00 C ATOM 0 H VAL A 82 -3.188 -7.290 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.393 -5.704 2.006 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.932 -4.602 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.631 -3.451 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.704 -3.658 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.387 -4.718 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.366 -5.027 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.225 -6.392 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.711 -6.444 -0.666 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.320 -7.306 2.162 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.306 -8.341 2.410 1.00 0.00 C ATOM 1332 C ASN A 83 -8.710 -7.778 2.264 1.00 0.00 C ATOM 1333 O ASN A 83 -9.038 -6.766 2.884 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.157 -8.906 3.833 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.751 -9.378 4.155 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.450 -10.561 4.081 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.876 -8.451 4.505 1.00 0.00 N ATOM 0 H ASN A 83 -6.360 -6.527 2.819 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.143 -9.135 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.447 -8.140 4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.849 -9.739 3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.915 -8.713 4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.162 -7.473 4.556 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.531 -8.415 1.441 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.926 -8.043 1.335 1.00 0.00 C ATOM 1346 C HIS A 84 -11.735 -9.272 0.947 1.00 0.00 C ATOM 1347 O HIS A 84 -11.169 -10.263 0.487 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.097 -6.937 0.296 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.335 -6.126 0.499 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.427 -6.274 -0.317 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.600 -5.182 1.436 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.331 -5.421 0.137 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.876 -4.739 1.199 1.00 0.00 N ATOM 0 H HIS A 84 -9.251 -9.190 0.840 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.282 -7.665 2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.229 -6.278 0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.121 -7.382 -0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.935 -4.845 2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.313 -5.290 -0.294 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.382 -4.028 1.728 1.00 0.00 H new ATOM 1361 N VAL A 85 -13.054 -9.209 1.122 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.911 -10.350 0.841 1.00 0.00 C ATOM 1363 C VAL A 85 -13.975 -10.637 -0.652 1.00 0.00 C ATOM 1364 O VAL A 85 -14.332 -11.736 -1.061 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.344 -10.134 1.375 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.330 -9.915 2.880 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -16.022 -8.966 0.667 1.00 0.00 C ATOM 0 H VAL A 85 -13.547 -8.381 1.456 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.469 -11.204 1.354 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.920 -11.035 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.349 -9.765 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.899 -10.788 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.731 -9.035 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.029 -8.836 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.446 -8.056 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.075 -9.170 -0.402 1.00 0.00 H new ATOM 1377 N THR A 86 -13.638 -9.639 -1.461 1.00 0.00 N ATOM 1378 CA THR A 86 -13.720 -9.770 -2.901 1.00 0.00 C ATOM 1379 C THR A 86 -12.570 -10.594 -3.450 1.00 0.00 C ATOM 1380 O THR A 86 -12.747 -11.411 -4.359 1.00 0.00 O ATOM 1381 CB THR A 86 -13.687 -8.390 -3.566 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.452 -7.738 -3.256 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.830 -7.523 -3.087 1.00 0.00 C ATOM 0 H THR A 86 -13.305 -8.730 -1.138 1.00 0.00 H new ATOM 0 HA THR A 86 -14.660 -10.274 -3.124 1.00 0.00 H new ATOM 0 HB THR A 86 -13.783 -8.533 -4.642 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.784 -7.962 -3.937 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.779 -6.551 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.778 -8.003 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.758 -7.390 -2.008 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.388 -10.367 -2.903 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.205 -11.060 -3.353 1.00 0.00 C ATOM 1393 C LEU A 87 -10.214 -12.470 -2.785 1.00 0.00 C ATOM 1394 O LEU A 87 -10.207 -12.653 -1.567 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.933 -10.309 -2.925 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.766 -8.913 -3.534 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.411 -8.317 -3.169 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.935 -8.974 -5.046 1.00 0.00 C ATOM 0 H LEU A 87 -11.227 -9.705 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.207 -11.106 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.932 -10.217 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.066 -10.912 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.540 -8.265 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.318 -7.326 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.329 -8.238 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.617 -8.961 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.814 -7.976 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.183 -9.640 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.929 -9.351 -5.286 1.00 0.00 H new ATOM 1410 N SER A 88 -10.253 -13.459 -3.667 1.00 0.00 N ATOM 1411 CA SER A 88 -10.331 -14.854 -3.255 1.00 0.00 C ATOM 1412 C SER A 88 -9.056 -15.261 -2.508 1.00 0.00 C ATOM 1413 O SER A 88 -9.034 -16.247 -1.769 1.00 0.00 O ATOM 1414 CB SER A 88 -10.573 -15.737 -4.485 1.00 0.00 C ATOM 1415 OG SER A 88 -9.562 -15.543 -5.464 1.00 0.00 O ATOM 0 H SER A 88 -10.232 -13.320 -4.677 1.00 0.00 H new ATOM 0 HA SER A 88 -11.167 -14.988 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.596 -16.785 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.548 -15.507 -4.915 1.00 0.00 H new ATOM 0 HG SER A 88 -9.740 -16.119 -6.237 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.999 -14.480 -2.707 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.750 -14.612 -1.970 1.00 0.00 C ATOM 1423 C GLN A 89 -6.233 -13.191 -1.733 1.00 0.00 C ATOM 1424 O GLN A 89 -6.178 -12.421 -2.696 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.707 -15.379 -2.803 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.253 -16.580 -3.568 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.359 -17.002 -4.719 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.138 -16.857 -4.664 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -5.964 -17.517 -5.775 1.00 0.00 N ATOM 0 H GLN A 89 -7.987 -13.727 -3.395 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.914 -15.155 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.253 -14.689 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.913 -15.720 -2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.373 -17.418 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.244 -16.339 -3.953 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.979 -17.621 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.416 -17.811 -6.584 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.905 -12.782 -0.483 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.281 -11.472 -0.235 1.00 0.00 C ATOM 1440 C PRO A 90 -4.182 -11.148 -1.226 1.00 0.00 C ATOM 1441 O PRO A 90 -3.367 -12.000 -1.586 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.706 -11.644 1.153 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.736 -12.464 1.831 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.141 -13.501 0.799 1.00 0.00 C ATOM 0 HA PRO A 90 -5.990 -10.650 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.738 -12.145 1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.558 -10.686 1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.339 -12.934 2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.587 -11.857 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.539 -14.406 0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.183 -13.801 0.911 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.167 -9.907 -1.651 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.346 -9.503 -2.756 1.00 0.00 C ATOM 1454 C LYS A 91 -2.030 -8.921 -2.306 1.00 0.00 C ATOM 1455 O LYS A 91 -1.985 -8.050 -1.444 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.078 -8.481 -3.594 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.464 -8.372 -4.954 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.449 -9.749 -5.580 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.210 -9.787 -6.889 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.367 -11.181 -7.380 1.00 0.00 N ATOM 0 H LYS A 91 -4.722 -9.156 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.136 -10.396 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.127 -8.763 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.050 -7.510 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.034 -7.679 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.451 -7.976 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.418 -10.058 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.886 -10.467 -4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.192 -9.333 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.684 -9.193 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.892 -11.176 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.429 -11.604 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.890 -11.740 -6.676 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.969 -9.418 -2.905 1.00 0.00 N ATOM 1475 CA ILE A 92 0.355 -8.856 -2.721 1.00 0.00 C ATOM 1476 C ILE A 92 0.867 -8.326 -4.046 1.00 0.00 C ATOM 1477 O ILE A 92 0.794 -9.003 -5.072 1.00 0.00 O ATOM 1478 CB ILE A 92 1.399 -9.870 -2.190 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.049 -10.366 -0.782 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.794 -9.249 -2.197 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.042 -11.412 -0.748 1.00 0.00 C ATOM 0 H ILE A 92 -0.998 -10.222 -3.533 1.00 0.00 H new ATOM 0 HA ILE A 92 0.243 -8.070 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 92 1.386 -10.732 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.946 -10.778 -0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.740 -9.515 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.517 -9.973 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.061 -8.965 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.802 -8.365 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.229 -11.709 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.955 -11.000 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.270 -12.282 -1.325 1.00 0.00 H new ATOM 1493 N VAL A 93 1.368 -7.115 -4.016 1.00 0.00 N ATOM 1494 CA VAL A 93 2.056 -6.541 -5.149 1.00 0.00 C ATOM 1495 C VAL A 93 3.357 -5.948 -4.655 1.00 0.00 C ATOM 1496 O VAL A 93 3.387 -5.276 -3.627 1.00 0.00 O ATOM 1497 CB VAL A 93 1.221 -5.454 -5.865 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.980 -4.875 -7.053 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.117 -6.018 -6.319 1.00 0.00 C ATOM 0 H VAL A 93 1.311 -6.498 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 93 2.232 -7.329 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 93 1.037 -4.650 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.370 -4.113 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.912 -4.428 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.202 -5.670 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.689 -5.238 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.052 -6.845 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.673 -6.377 -5.453 1.00 0.00 H new ATOM 1509 N LYS A 94 4.421 -6.212 -5.373 1.00 0.00 N ATOM 1510 CA LYS A 94 5.717 -5.714 -4.975 1.00 0.00 C ATOM 1511 C LYS A 94 5.840 -4.250 -5.341 1.00 0.00 C ATOM 1512 O LYS A 94 5.216 -3.780 -6.294 1.00 0.00 O ATOM 1513 CB LYS A 94 6.851 -6.478 -5.629 1.00 0.00 C ATOM 1514 CG LYS A 94 7.110 -7.865 -5.074 1.00 0.00 C ATOM 1515 CD LYS A 94 8.430 -8.392 -5.607 1.00 0.00 C ATOM 1516 CE LYS A 94 8.868 -9.661 -4.905 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.952 -10.794 -5.187 1.00 0.00 N ATOM 0 H LYS A 94 4.417 -6.765 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 94 5.794 -5.848 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.639 -6.566 -6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.764 -5.891 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.134 -7.833 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.299 -8.537 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.337 -8.584 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.199 -7.629 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.877 -9.922 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.908 -9.486 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.286 -11.643 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.994 -10.555 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.933 -10.978 -6.210 1.00 0.00 H new ATOM 1531 N TRP A 95 6.618 -3.533 -4.562 1.00 0.00 N ATOM 1532 CA TRP A 95 6.945 -2.165 -4.881 1.00 0.00 C ATOM 1533 C TRP A 95 7.925 -2.172 -6.041 1.00 0.00 C ATOM 1534 O TRP A 95 9.090 -2.529 -5.880 1.00 0.00 O ATOM 1535 CB TRP A 95 7.540 -1.438 -3.663 1.00 0.00 C ATOM 1536 CG TRP A 95 7.981 -0.040 -3.968 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.183 1.041 -4.204 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.329 0.425 -4.070 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.953 2.146 -4.456 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.274 1.795 -4.378 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.578 -0.186 -3.932 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.418 2.565 -4.554 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.715 0.576 -4.105 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.627 1.944 -4.413 1.00 0.00 C ATOM 0 H TRP A 95 7.037 -3.878 -3.699 1.00 0.00 H new ATOM 0 HA TRP A 95 6.040 -1.625 -5.161 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.798 -1.412 -2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.391 -2.007 -3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.103 1.028 -4.194 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.599 3.079 -4.667 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.652 -1.237 -3.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.354 3.616 -4.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.686 0.115 -4.002 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.534 2.517 -4.541 1.00 0.00 H new