USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 724 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 81 ASN : amide:sc= 0 X(o=-2,f=-2) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.04 X(o=-2,f=-2) USER MOD Set 1.3: A 92 SER OG : rot -140:sc= -0.985 USER MOD Set 2.1: A 52 SER OG : rot -76:sc= 1.16 USER MOD Set 2.2: A 78 TYR OH : rot 41:sc= 2.29 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=0.000902 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -1.48 USER MOD Single : A 10 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 15 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.4!) USER MOD Single : A 17 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 30:sc= 0.145 USER MOD Single : A 27 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.16) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.071 (180deg=-0.368) USER MOD Single : A 30 ASN : amide:sc= -4.83! C(o=-4.8!,f=-5.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 54 SER OG : rot 180:sc= -0.574 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.6) USER MOD Single : A 58 CYS SG : rot 21:sc= 0.183 USER MOD Single : A 61 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -120:sc= -1.55! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 131:sc= -2.39! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 170:sc= 1.04 USER MOD Single : A 99 LYS NZ :NH3+ 170:sc=-0.000473 (180deg=-0.0745) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.882 36.242 0.945 1.00 0.00 N ATOM 2 CA GLY A 1 5.887 35.387 -0.227 1.00 0.00 C ATOM 3 C GLY A 1 4.488 35.058 -0.710 1.00 0.00 C ATOM 4 O GLY A 1 3.569 34.894 0.092 1.00 0.00 O ATOM 0 H1 GLY A 1 6.634 35.941 1.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.047 37.227 0.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.961 36.171 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.439 35.878 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.415 34.462 0.004 1.00 0.00 H new ATOM 8 N SER A 2 4.325 34.963 -2.026 1.00 0.00 N ATOM 9 CA SER A 2 3.027 34.657 -2.616 1.00 0.00 C ATOM 10 C SER A 2 3.103 33.397 -3.472 1.00 0.00 C ATOM 11 O SER A 2 2.130 32.652 -3.588 1.00 0.00 O ATOM 12 CB SER A 2 2.537 35.834 -3.462 1.00 0.00 C ATOM 13 OG SER A 2 3.619 36.480 -4.110 1.00 0.00 O ATOM 0 H SER A 2 5.076 35.094 -2.704 1.00 0.00 H new ATOM 0 HA SER A 2 2.319 34.482 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.823 35.480 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.010 36.547 -2.828 1.00 0.00 H new ATOM 0 HG SER A 2 3.280 37.227 -4.646 1.00 0.00 H new ATOM 19 N SER A 3 4.267 33.165 -4.071 1.00 0.00 N ATOM 20 CA SER A 3 4.470 31.998 -4.921 1.00 0.00 C ATOM 21 C SER A 3 5.183 30.886 -4.156 1.00 0.00 C ATOM 22 O SER A 3 6.363 31.000 -3.829 1.00 0.00 O ATOM 23 CB SER A 3 5.280 32.379 -6.162 1.00 0.00 C ATOM 24 OG SER A 3 5.442 31.267 -7.026 1.00 0.00 O ATOM 0 H SER A 3 5.084 33.770 -3.983 1.00 0.00 H new ATOM 0 HA SER A 3 3.492 31.632 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.778 33.187 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.258 32.755 -5.861 1.00 0.00 H new ATOM 0 HG SER A 3 5.961 31.536 -7.812 1.00 0.00 H new ATOM 30 N GLY A 4 4.455 29.810 -3.873 1.00 0.00 N ATOM 31 CA GLY A 4 5.032 28.693 -3.148 1.00 0.00 C ATOM 32 C GLY A 4 4.443 28.536 -1.760 1.00 0.00 C ATOM 33 O GLY A 4 3.882 29.480 -1.206 1.00 0.00 O ATOM 0 H GLY A 4 3.476 29.692 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.871 27.775 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.110 28.834 -3.068 1.00 0.00 H new ATOM 37 N SER A 5 4.570 27.338 -1.198 1.00 0.00 N ATOM 38 CA SER A 5 4.041 27.058 0.132 1.00 0.00 C ATOM 39 C SER A 5 5.020 27.508 1.212 1.00 0.00 C ATOM 40 O SER A 5 6.129 27.951 0.914 1.00 0.00 O ATOM 41 CB SER A 5 3.748 25.564 0.283 1.00 0.00 C ATOM 42 OG SER A 5 4.883 24.785 -0.054 1.00 0.00 O ATOM 0 H SER A 5 5.034 26.546 -1.643 1.00 0.00 H new ATOM 0 HA SER A 5 3.113 27.617 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.448 25.351 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.910 25.288 -0.357 1.00 0.00 H new ATOM 0 HG SER A 5 4.671 23.834 0.052 1.00 0.00 H new ATOM 48 N SER A 6 4.600 27.390 2.468 1.00 0.00 N ATOM 49 CA SER A 6 5.438 27.788 3.593 1.00 0.00 C ATOM 50 C SER A 6 6.623 26.841 3.750 1.00 0.00 C ATOM 51 O SER A 6 7.773 27.273 3.818 1.00 0.00 O ATOM 52 CB SER A 6 4.616 27.813 4.884 1.00 0.00 C ATOM 53 OG SER A 6 3.501 28.679 4.762 1.00 0.00 O ATOM 0 H SER A 6 3.686 27.023 2.732 1.00 0.00 H new ATOM 0 HA SER A 6 5.820 28.789 3.394 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.274 26.806 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.245 28.139 5.713 1.00 0.00 H new ATOM 0 HG SER A 6 2.991 28.676 5.599 1.00 0.00 H new ATOM 59 N GLY A 7 6.334 25.544 3.807 1.00 0.00 N ATOM 60 CA GLY A 7 7.385 24.555 3.955 1.00 0.00 C ATOM 61 C GLY A 7 6.872 23.243 4.515 1.00 0.00 C ATOM 62 O GLY A 7 7.447 22.694 5.454 1.00 0.00 O ATOM 0 H GLY A 7 5.390 25.161 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.850 24.376 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.160 24.949 4.612 1.00 0.00 H new ATOM 66 N GLY A 8 5.784 22.740 3.939 1.00 0.00 N ATOM 67 CA GLY A 8 5.211 21.490 4.401 1.00 0.00 C ATOM 68 C GLY A 8 4.968 20.511 3.270 1.00 0.00 C ATOM 69 O GLY A 8 5.544 20.644 2.190 1.00 0.00 O ATOM 0 H GLY A 8 5.290 23.176 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.879 21.036 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.269 21.692 4.911 1.00 0.00 H new ATOM 73 N CYS A 9 4.114 19.524 3.518 1.00 0.00 N ATOM 74 CA CYS A 9 3.797 18.516 2.512 1.00 0.00 C ATOM 75 C CYS A 9 2.288 18.374 2.340 1.00 0.00 C ATOM 76 O CYS A 9 1.516 18.751 3.221 1.00 0.00 O ATOM 77 CB CYS A 9 4.407 17.168 2.900 1.00 0.00 C ATOM 78 SG CYS A 9 6.155 16.998 2.471 1.00 0.00 S ATOM 0 H CYS A 9 3.629 19.400 4.407 1.00 0.00 H new ATOM 0 HA CYS A 9 4.224 18.840 1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.292 17.025 3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.845 16.373 2.411 1.00 0.00 H new ATOM 0 HG CYS A 9 6.581 15.826 2.840 1.00 0.00 H new ATOM 84 N GLN A 10 1.876 17.830 1.200 1.00 0.00 N ATOM 85 CA GLN A 10 0.459 17.641 0.912 1.00 0.00 C ATOM 86 C GLN A 10 0.113 16.158 0.830 1.00 0.00 C ATOM 87 O GLN A 10 0.156 15.544 -0.236 1.00 0.00 O ATOM 88 CB GLN A 10 0.086 18.338 -0.398 1.00 0.00 C ATOM 89 CG GLN A 10 0.225 19.851 -0.344 1.00 0.00 C ATOM 90 CD GLN A 10 1.616 20.323 -0.716 1.00 0.00 C ATOM 91 OE1 GLN A 10 2.057 20.156 -1.853 1.00 0.00 O ATOM 92 NE2 GLN A 10 2.317 20.916 0.244 1.00 0.00 N ATOM 0 H GLN A 10 2.503 17.512 0.461 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.114 18.084 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.718 17.952 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.943 18.085 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.501 20.303 -1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.016 20.198 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.912 21.034 1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.260 21.254 0.052 1.00 0.00 H new ATOM 101 N PRO A 11 -0.238 15.567 1.982 1.00 0.00 N ATOM 102 CA PRO A 11 -0.599 14.149 2.066 1.00 0.00 C ATOM 103 C PRO A 11 -1.933 13.849 1.391 1.00 0.00 C ATOM 104 O PRO A 11 -2.341 12.692 1.288 1.00 0.00 O ATOM 105 CB PRO A 11 -0.693 13.896 3.572 1.00 0.00 C ATOM 106 CG PRO A 11 -1.004 15.228 4.162 1.00 0.00 C ATOM 107 CD PRO A 11 -0.311 16.239 3.290 1.00 0.00 C ATOM 0 HA PRO A 11 0.126 13.513 1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.472 13.169 3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.242 13.497 3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.080 15.404 4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.649 15.292 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.872 17.172 3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.680 16.486 3.671 1.00 0.00 H new ATOM 115 N SER A 12 -2.608 14.898 0.933 1.00 0.00 N ATOM 116 CA SER A 12 -3.898 14.746 0.270 1.00 0.00 C ATOM 117 C SER A 12 -3.722 14.621 -1.240 1.00 0.00 C ATOM 118 O SER A 12 -4.563 14.042 -1.928 1.00 0.00 O ATOM 119 CB SER A 12 -4.804 15.937 0.593 1.00 0.00 C ATOM 120 OG SER A 12 -4.137 17.164 0.354 1.00 0.00 O ATOM 0 H SER A 12 -2.283 15.862 1.009 1.00 0.00 H new ATOM 0 HA SER A 12 -4.364 13.833 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.707 15.886 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.118 15.887 1.636 1.00 0.00 H new ATOM 0 HG SER A 12 -4.737 17.909 0.566 1.00 0.00 H new ATOM 126 N ARG A 13 -2.623 15.168 -1.749 1.00 0.00 N ATOM 127 CA ARG A 13 -2.336 15.120 -3.177 1.00 0.00 C ATOM 128 C ARG A 13 -1.801 13.748 -3.578 1.00 0.00 C ATOM 129 O ARG A 13 -1.687 13.436 -4.763 1.00 0.00 O ATOM 130 CB ARG A 13 -1.325 16.204 -3.553 1.00 0.00 C ATOM 131 CG ARG A 13 -1.744 17.602 -3.127 1.00 0.00 C ATOM 132 CD ARG A 13 -2.623 18.264 -4.177 1.00 0.00 C ATOM 133 NE ARG A 13 -4.038 17.960 -3.976 1.00 0.00 N ATOM 134 CZ ARG A 13 -4.759 18.451 -2.974 1.00 0.00 C ATOM 135 NH1 ARG A 13 -4.202 19.264 -2.088 1.00 0.00 N ATOM 136 NH2 ARG A 13 -6.041 18.129 -2.859 1.00 0.00 N ATOM 0 H ARG A 13 -1.916 15.650 -1.193 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.267 15.300 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.364 15.967 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.176 16.192 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.282 17.549 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.857 18.212 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.476 19.344 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.318 17.930 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.497 17.337 -4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.217 19.514 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.758 19.639 -1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.473 17.504 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.594 18.506 -2.090 1.00 0.00 H new ATOM 150 N VAL A 14 -1.472 12.933 -2.581 1.00 0.00 N ATOM 151 CA VAL A 14 -0.948 11.595 -2.828 1.00 0.00 C ATOM 152 C VAL A 14 -2.036 10.669 -3.360 1.00 0.00 C ATOM 153 O VAL A 14 -3.198 10.772 -2.969 1.00 0.00 O ATOM 154 CB VAL A 14 -0.348 10.981 -1.549 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.452 9.731 -1.882 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.518 12.001 -0.826 1.00 0.00 C ATOM 0 H VAL A 14 -1.559 13.176 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.162 11.697 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.164 10.695 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.868 9.311 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.200 8.997 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.262 9.989 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.934 11.551 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.329 12.319 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.088 12.865 -0.554 1.00 0.00 H new ATOM 166 N GLN A 15 -1.651 9.764 -4.254 1.00 0.00 N ATOM 167 CA GLN A 15 -2.594 8.819 -4.840 1.00 0.00 C ATOM 168 C GLN A 15 -2.060 7.393 -4.756 1.00 0.00 C ATOM 169 O GLN A 15 -0.879 7.147 -4.998 1.00 0.00 O ATOM 170 CB GLN A 15 -2.876 9.186 -6.298 1.00 0.00 C ATOM 171 CG GLN A 15 -1.719 9.895 -6.982 1.00 0.00 C ATOM 172 CD GLN A 15 -2.014 10.231 -8.430 1.00 0.00 C ATOM 173 OE1 GLN A 15 -2.404 9.364 -9.214 1.00 0.00 O ATOM 174 NE2 GLN A 15 -1.830 11.495 -8.795 1.00 0.00 N ATOM 0 H GLN A 15 -0.692 9.665 -4.588 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.523 8.873 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.114 8.278 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.758 9.825 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.489 10.812 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.831 9.264 -6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.506 12.181 -8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.013 11.780 -9.757 1.00 0.00 H new ATOM 183 N ALA A 16 -2.938 6.457 -4.411 1.00 0.00 N ATOM 184 CA ALA A 16 -2.555 5.055 -4.297 1.00 0.00 C ATOM 185 C ALA A 16 -3.599 4.147 -4.936 1.00 0.00 C ATOM 186 O ALA A 16 -4.753 4.117 -4.508 1.00 0.00 O ATOM 187 CB ALA A 16 -2.350 4.682 -2.836 1.00 0.00 C ATOM 0 H ALA A 16 -3.919 6.644 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.615 4.915 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.064 3.632 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.562 5.302 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.277 4.844 -2.286 1.00 0.00 H new ATOM 193 N GLN A 17 -3.187 3.408 -5.961 1.00 0.00 N ATOM 194 CA GLN A 17 -4.090 2.500 -6.660 1.00 0.00 C ATOM 195 C GLN A 17 -3.347 1.256 -7.137 1.00 0.00 C ATOM 196 O GLN A 17 -2.145 1.299 -7.393 1.00 0.00 O ATOM 197 CB GLN A 17 -4.740 3.208 -7.849 1.00 0.00 C ATOM 198 CG GLN A 17 -3.748 3.645 -8.915 1.00 0.00 C ATOM 199 CD GLN A 17 -3.514 2.578 -9.966 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.143 1.520 -9.944 1.00 0.00 O ATOM 201 NE2 GLN A 17 -2.604 2.851 -10.894 1.00 0.00 N ATOM 0 H GLN A 17 -2.235 3.420 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.868 2.192 -5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.475 2.542 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.282 4.083 -7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.115 4.551 -9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.799 3.898 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.106 3.741 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.403 2.171 -11.627 1.00 0.00 H new ATOM 210 N GLY A 18 -4.073 0.149 -7.255 1.00 0.00 N ATOM 211 CA GLY A 18 -3.467 -1.092 -7.701 1.00 0.00 C ATOM 212 C GLY A 18 -4.114 -2.312 -7.075 1.00 0.00 C ATOM 213 O GLY A 18 -5.096 -2.211 -6.339 1.00 0.00 O ATOM 0 H GLY A 18 -5.070 0.089 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.544 -1.161 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.405 -1.082 -7.457 1.00 0.00 H new ATOM 217 N PRO A 19 -3.559 -3.497 -7.369 1.00 0.00 N ATOM 218 CA PRO A 19 -4.073 -4.764 -6.841 1.00 0.00 C ATOM 219 C PRO A 19 -3.827 -4.910 -5.343 1.00 0.00 C ATOM 220 O PRO A 19 -4.674 -5.421 -4.612 1.00 0.00 O ATOM 221 CB PRO A 19 -3.281 -5.819 -7.618 1.00 0.00 C ATOM 222 CG PRO A 19 -2.020 -5.132 -8.013 1.00 0.00 C ATOM 223 CD PRO A 19 -2.387 -3.691 -8.239 1.00 0.00 C ATOM 0 HA PRO A 19 -5.153 -4.848 -6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.078 -6.695 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.834 -6.165 -8.492 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.264 -5.225 -7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.601 -5.574 -8.917 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.571 -3.021 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.626 -3.496 -9.285 1.00 0.00 H new ATOM 231 N GLY A 20 -2.661 -4.457 -4.892 1.00 0.00 N ATOM 232 CA GLY A 20 -2.325 -4.546 -3.483 1.00 0.00 C ATOM 233 C GLY A 20 -3.277 -3.753 -2.609 1.00 0.00 C ATOM 234 O GLY A 20 -3.237 -3.857 -1.382 1.00 0.00 O ATOM 0 H GLY A 20 -1.943 -4.030 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.339 -5.591 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.309 -4.182 -3.331 1.00 0.00 H new ATOM 238 N LEU A 21 -4.133 -2.958 -3.240 1.00 0.00 N ATOM 239 CA LEU A 21 -5.099 -2.142 -2.511 1.00 0.00 C ATOM 240 C LEU A 21 -6.512 -2.691 -2.679 1.00 0.00 C ATOM 241 O LEU A 21 -7.337 -2.602 -1.769 1.00 0.00 O ATOM 242 CB LEU A 21 -5.041 -0.693 -2.997 1.00 0.00 C ATOM 243 CG LEU A 21 -3.682 -0.001 -2.887 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.705 1.340 -3.602 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.291 0.178 -1.427 1.00 0.00 C ATOM 0 H LEU A 21 -4.179 -2.860 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.840 -2.174 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.355 -0.668 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.769 -0.112 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.935 -0.633 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.729 1.817 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.939 1.187 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.464 1.980 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.321 0.672 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.040 0.788 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.231 -0.797 -0.944 1.00 0.00 H new ATOM 257 N LYS A 22 -6.785 -3.260 -3.849 1.00 0.00 N ATOM 258 CA LYS A 22 -8.097 -3.827 -4.136 1.00 0.00 C ATOM 259 C LYS A 22 -8.237 -5.215 -3.521 1.00 0.00 C ATOM 260 O LYS A 22 -9.133 -5.458 -2.713 1.00 0.00 O ATOM 261 CB LYS A 22 -8.322 -3.903 -5.648 1.00 0.00 C ATOM 262 CG LYS A 22 -8.973 -2.659 -6.229 1.00 0.00 C ATOM 263 CD LYS A 22 -8.107 -1.428 -6.021 1.00 0.00 C ATOM 264 CE LYS A 22 -8.805 -0.167 -6.508 1.00 0.00 C ATOM 265 NZ LYS A 22 -7.893 1.010 -6.501 1.00 0.00 N ATOM 0 H LYS A 22 -6.115 -3.340 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.851 -3.176 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.364 -4.066 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.947 -4.768 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.151 -2.804 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.946 -2.504 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.866 -1.326 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.164 -1.551 -6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.182 -0.328 -7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.668 0.038 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.406 1.849 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.552 1.180 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.082 0.825 -7.126 1.00 0.00 H new ATOM 279 N GLU A 23 -7.344 -6.122 -3.907 1.00 0.00 N ATOM 280 CA GLU A 23 -7.368 -7.485 -3.391 1.00 0.00 C ATOM 281 C GLU A 23 -6.005 -8.152 -3.550 1.00 0.00 C ATOM 282 O GLU A 23 -5.279 -7.885 -4.507 1.00 0.00 O ATOM 283 CB GLU A 23 -8.437 -8.308 -4.114 1.00 0.00 C ATOM 284 CG GLU A 23 -8.021 -8.759 -5.504 1.00 0.00 C ATOM 285 CD GLU A 23 -8.989 -9.760 -6.107 1.00 0.00 C ATOM 286 OE1 GLU A 23 -10.144 -9.824 -5.639 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.589 -10.478 -7.047 1.00 0.00 O ATOM 0 H GLU A 23 -6.596 -5.937 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.609 -7.440 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.676 -9.185 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.349 -7.716 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.949 -7.890 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.027 -9.204 -5.455 1.00 0.00 H new ATOM 294 N ALA A 24 -5.663 -9.019 -2.603 1.00 0.00 N ATOM 295 CA ALA A 24 -4.388 -9.725 -2.637 1.00 0.00 C ATOM 296 C ALA A 24 -4.572 -11.206 -2.326 1.00 0.00 C ATOM 297 O ALA A 24 -5.693 -11.675 -2.127 1.00 0.00 O ATOM 298 CB ALA A 24 -3.410 -9.095 -1.656 1.00 0.00 C ATOM 0 H ALA A 24 -6.251 -9.250 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.981 -9.640 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.462 -9.632 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.246 -8.051 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.820 -9.150 -0.648 1.00 0.00 H new ATOM 304 N PHE A 25 -3.464 -11.939 -2.285 1.00 0.00 N ATOM 305 CA PHE A 25 -3.504 -13.369 -2.000 1.00 0.00 C ATOM 306 C PHE A 25 -2.455 -13.744 -0.957 1.00 0.00 C ATOM 307 O PHE A 25 -1.582 -12.944 -0.620 1.00 0.00 O ATOM 308 CB PHE A 25 -3.276 -14.173 -3.282 1.00 0.00 C ATOM 309 CG PHE A 25 -4.535 -14.435 -4.057 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.007 -13.508 -4.972 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.247 -15.609 -3.871 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.165 -13.746 -5.686 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.406 -15.854 -4.583 1.00 0.00 C ATOM 314 CZ PHE A 25 -6.865 -14.921 -5.492 1.00 0.00 C ATOM 0 H PHE A 25 -2.528 -11.567 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.490 -13.608 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.573 -13.636 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.811 -15.125 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.463 -12.588 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.892 -16.341 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.523 -13.014 -6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.952 -16.773 -4.429 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.770 -15.110 -6.050 1.00 0.00 H new ATOM 324 N THR A 26 -2.548 -14.969 -0.447 1.00 0.00 N ATOM 325 CA THR A 26 -1.610 -15.451 0.558 1.00 0.00 C ATOM 326 C THR A 26 -0.309 -15.920 -0.083 1.00 0.00 C ATOM 327 O THR A 26 -0.320 -16.723 -1.015 1.00 0.00 O ATOM 328 CB THR A 26 -2.211 -16.609 1.378 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.612 -17.671 0.505 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.407 -16.133 2.189 1.00 0.00 C ATOM 0 H THR A 26 -3.264 -15.645 -0.714 1.00 0.00 H new ATOM 0 HA THR A 26 -1.402 -14.613 1.223 1.00 0.00 H new ATOM 0 HB THR A 26 -1.448 -16.973 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.036 -17.678 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.815 -16.967 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.092 -15.345 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.172 -15.745 1.516 1.00 0.00 H new ATOM 338 N ASN A 27 0.811 -15.414 0.423 1.00 0.00 N ATOM 339 CA ASN A 27 2.121 -15.782 -0.102 1.00 0.00 C ATOM 340 C ASN A 27 2.261 -15.359 -1.561 1.00 0.00 C ATOM 341 O ASN A 27 3.000 -15.975 -2.329 1.00 0.00 O ATOM 342 CB ASN A 27 2.340 -17.290 0.027 1.00 0.00 C ATOM 343 CG ASN A 27 2.415 -17.742 1.473 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.424 -18.297 1.910 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.345 -17.505 2.223 1.00 0.00 N ATOM 0 H ASN A 27 0.838 -14.748 1.195 1.00 0.00 H new ATOM 0 HA ASN A 27 2.879 -15.261 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.527 -17.816 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.262 -17.566 -0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.337 -17.786 3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.531 -17.042 1.818 1.00 0.00 H new ATOM 352 N LYS A 28 1.546 -14.304 -1.937 1.00 0.00 N ATOM 353 CA LYS A 28 1.590 -13.797 -3.303 1.00 0.00 C ATOM 354 C LYS A 28 2.087 -12.355 -3.332 1.00 0.00 C ATOM 355 O LYS A 28 1.794 -11.554 -2.445 1.00 0.00 O ATOM 356 CB LYS A 28 0.204 -13.883 -3.947 1.00 0.00 C ATOM 357 CG LYS A 28 -0.163 -15.281 -4.415 1.00 0.00 C ATOM 358 CD LYS A 28 -1.112 -15.240 -5.601 1.00 0.00 C ATOM 359 CE LYS A 28 -1.002 -16.500 -6.446 1.00 0.00 C ATOM 360 NZ LYS A 28 0.304 -16.577 -7.159 1.00 0.00 N ATOM 0 H LYS A 28 0.929 -13.783 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 28 2.286 -14.415 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.542 -13.541 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.165 -13.202 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.742 -15.823 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.627 -15.830 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.136 -15.127 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.890 -14.368 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.120 -17.376 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.814 -16.522 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.219 -17.221 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.572 -15.630 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.034 -16.933 -6.509 1.00 0.00 H new ATOM 374 N PRO A 29 2.857 -12.014 -4.377 1.00 0.00 N ATOM 375 CA PRO A 29 3.408 -10.667 -4.547 1.00 0.00 C ATOM 376 C PRO A 29 2.333 -9.638 -4.878 1.00 0.00 C ATOM 377 O PRO A 29 1.782 -9.634 -5.978 1.00 0.00 O ATOM 378 CB PRO A 29 4.376 -10.826 -5.723 1.00 0.00 C ATOM 379 CG PRO A 29 3.852 -11.991 -6.490 1.00 0.00 C ATOM 380 CD PRO A 29 3.247 -12.918 -5.472 1.00 0.00 C ATOM 0 HA PRO A 29 3.879 -10.302 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.403 -9.927 -6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.394 -11.005 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.108 -11.674 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.651 -12.486 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.388 -13.453 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.962 -13.669 -5.137 1.00 0.00 H new ATOM 388 N ASN A 30 2.040 -8.766 -3.919 1.00 0.00 N ATOM 389 CA ASN A 30 1.030 -7.731 -4.109 1.00 0.00 C ATOM 390 C ASN A 30 1.664 -6.344 -4.104 1.00 0.00 C ATOM 391 O ASN A 30 2.272 -5.930 -3.116 1.00 0.00 O ATOM 392 CB ASN A 30 -0.035 -7.821 -3.014 1.00 0.00 C ATOM 393 CG ASN A 30 -0.298 -9.250 -2.579 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.017 -9.992 -3.248 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.286 -9.642 -1.452 1.00 0.00 N ATOM 0 H ASN A 30 2.488 -8.755 -3.002 1.00 0.00 H new ATOM 0 HA ASN A 30 0.559 -7.892 -5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.284 -7.235 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.963 -7.378 -3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.146 -10.592 -1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.874 -8.993 -0.930 1.00 0.00 H new ATOM 402 N VAL A 31 1.519 -5.629 -5.216 1.00 0.00 N ATOM 403 CA VAL A 31 2.076 -4.287 -5.340 1.00 0.00 C ATOM 404 C VAL A 31 1.014 -3.291 -5.791 1.00 0.00 C ATOM 405 O VAL A 31 -0.108 -3.672 -6.125 1.00 0.00 O ATOM 406 CB VAL A 31 3.250 -4.257 -6.337 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.299 -5.292 -5.958 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.750 -4.486 -7.755 1.00 0.00 C ATOM 0 H VAL A 31 1.021 -5.957 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 31 2.440 -4.002 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 31 3.715 -3.272 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.121 -5.256 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.678 -5.077 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.851 -6.285 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.592 -4.462 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.259 -5.457 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.040 -3.703 -8.021 1.00 0.00 H new ATOM 418 N PHE A 32 1.376 -2.012 -5.800 1.00 0.00 N ATOM 419 CA PHE A 32 0.454 -0.959 -6.210 1.00 0.00 C ATOM 420 C PHE A 32 1.215 0.259 -6.725 1.00 0.00 C ATOM 421 O PHE A 32 2.399 0.435 -6.436 1.00 0.00 O ATOM 422 CB PHE A 32 -0.446 -0.556 -5.040 1.00 0.00 C ATOM 423 CG PHE A 32 0.279 -0.474 -3.727 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.569 -1.622 -3.008 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.670 0.752 -3.212 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.235 -1.549 -1.799 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.337 0.831 -2.004 1.00 0.00 C ATOM 428 CZ PHE A 32 1.620 -0.321 -1.297 1.00 0.00 C ATOM 0 H PHE A 32 2.301 -1.680 -5.528 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.166 -1.347 -7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.899 0.411 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.259 -1.276 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.271 -2.585 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.451 1.656 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.454 -2.451 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.636 1.792 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.142 -0.262 -0.353 1.00 0.00 H new ATOM 438 N THR A 33 0.526 1.099 -7.492 1.00 0.00 N ATOM 439 CA THR A 33 1.135 2.299 -8.050 1.00 0.00 C ATOM 440 C THR A 33 0.847 3.517 -7.179 1.00 0.00 C ATOM 441 O THR A 33 -0.295 3.759 -6.790 1.00 0.00 O ATOM 442 CB THR A 33 0.629 2.574 -9.479 1.00 0.00 C ATOM 443 OG1 THR A 33 0.563 1.350 -10.219 1.00 0.00 O ATOM 444 CG2 THR A 33 1.542 3.557 -10.196 1.00 0.00 C ATOM 0 H THR A 33 -0.455 0.969 -7.741 1.00 0.00 H new ATOM 0 HA THR A 33 2.210 2.123 -8.081 1.00 0.00 H new ATOM 0 HB THR A 33 -0.367 3.011 -9.411 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.239 1.533 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.165 3.736 -11.203 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.568 4.498 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.549 3.143 -10.254 1.00 0.00 H new ATOM 452 N VAL A 34 1.891 4.282 -6.876 1.00 0.00 N ATOM 453 CA VAL A 34 1.750 5.477 -6.052 1.00 0.00 C ATOM 454 C VAL A 34 2.360 6.693 -6.739 1.00 0.00 C ATOM 455 O VAL A 34 3.578 6.788 -6.893 1.00 0.00 O ATOM 456 CB VAL A 34 2.416 5.291 -4.676 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.251 6.544 -3.829 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.839 4.076 -3.965 1.00 0.00 C ATOM 0 H VAL A 34 2.844 4.096 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 34 0.682 5.641 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 34 3.482 5.122 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.728 6.394 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.717 7.389 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.190 6.748 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.321 3.960 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.767 4.212 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.015 3.184 -4.567 1.00 0.00 H new ATOM 468 N VAL A 35 1.505 7.624 -7.151 1.00 0.00 N ATOM 469 CA VAL A 35 1.959 8.837 -7.820 1.00 0.00 C ATOM 470 C VAL A 35 1.977 10.021 -6.860 1.00 0.00 C ATOM 471 O VAL A 35 0.951 10.659 -6.623 1.00 0.00 O ATOM 472 CB VAL A 35 1.064 9.181 -9.026 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.342 10.596 -9.511 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.271 8.174 -10.147 1.00 0.00 C ATOM 0 H VAL A 35 0.494 7.561 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 35 2.972 8.644 -8.172 1.00 0.00 H new ATOM 0 HB VAL A 35 0.022 9.129 -8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.701 10.821 -10.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.138 11.303 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.387 10.679 -9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.631 8.432 -10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.314 8.191 -10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.017 7.176 -9.791 1.00 0.00 H new ATOM 484 N THR A 36 3.152 10.312 -6.309 1.00 0.00 N ATOM 485 CA THR A 36 3.304 11.419 -5.374 1.00 0.00 C ATOM 486 C THR A 36 3.861 12.655 -6.072 1.00 0.00 C ATOM 487 O THR A 36 4.637 13.412 -5.488 1.00 0.00 O ATOM 488 CB THR A 36 4.233 11.042 -4.204 1.00 0.00 C ATOM 489 OG1 THR A 36 5.565 10.830 -4.685 1.00 0.00 O ATOM 490 CG2 THR A 36 3.736 9.788 -3.501 1.00 0.00 C ATOM 0 H THR A 36 4.012 9.796 -6.495 1.00 0.00 H new ATOM 0 HA THR A 36 2.311 11.642 -4.983 1.00 0.00 H new ATOM 0 HB THR A 36 4.232 11.864 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.150 10.593 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.408 9.541 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.733 9.963 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.710 8.960 -4.209 1.00 0.00 H new ATOM 498 N ARG A 37 3.458 12.854 -7.323 1.00 0.00 N ATOM 499 CA ARG A 37 3.918 13.999 -8.100 1.00 0.00 C ATOM 500 C ARG A 37 3.144 15.259 -7.721 1.00 0.00 C ATOM 501 O ARG A 37 2.086 15.541 -8.282 1.00 0.00 O ATOM 502 CB ARG A 37 3.762 13.722 -9.596 1.00 0.00 C ATOM 503 CG ARG A 37 4.776 12.729 -10.140 1.00 0.00 C ATOM 504 CD ARG A 37 6.145 13.368 -10.314 1.00 0.00 C ATOM 505 NE ARG A 37 6.130 14.428 -11.319 1.00 0.00 N ATOM 506 CZ ARG A 37 6.096 14.201 -12.627 1.00 0.00 C ATOM 507 NH1 ARG A 37 6.074 12.957 -13.086 1.00 0.00 N ATOM 508 NH2 ARG A 37 6.085 15.218 -13.478 1.00 0.00 N ATOM 0 H ARG A 37 2.815 12.238 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 37 4.972 14.160 -7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.758 13.343 -9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.856 14.660 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.854 11.879 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.430 12.342 -11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.478 13.777 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.867 12.605 -10.603 1.00 0.00 H new ATOM 0 HE ARG A 37 6.147 15.396 -10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.083 12.173 -12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.048 12.785 -14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.103 16.176 -13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.059 15.042 -14.482 1.00 0.00 H new ATOM 522 N GLY A 38 3.680 16.012 -6.766 1.00 0.00 N ATOM 523 CA GLY A 38 3.026 17.232 -6.328 1.00 0.00 C ATOM 524 C GLY A 38 2.873 17.300 -4.822 1.00 0.00 C ATOM 525 O GLY A 38 2.944 18.377 -4.232 1.00 0.00 O ATOM 0 H GLY A 38 4.555 15.800 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.601 18.092 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.043 17.300 -6.793 1.00 0.00 H new ATOM 529 N ALA A 39 2.661 16.146 -4.197 1.00 0.00 N ATOM 530 CA ALA A 39 2.499 16.079 -2.750 1.00 0.00 C ATOM 531 C ALA A 39 3.481 17.007 -2.044 1.00 0.00 C ATOM 532 O ALA A 39 3.080 17.914 -1.317 1.00 0.00 O ATOM 533 CB ALA A 39 2.678 14.648 -2.265 1.00 0.00 C ATOM 0 H ALA A 39 2.597 15.245 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 39 1.489 16.410 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.554 14.613 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.932 14.008 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.676 14.297 -2.528 1.00 0.00 H new ATOM 539 N GLY A 40 4.772 16.772 -2.262 1.00 0.00 N ATOM 540 CA GLY A 40 5.791 17.595 -1.638 1.00 0.00 C ATOM 541 C GLY A 40 7.086 16.840 -1.412 1.00 0.00 C ATOM 542 O GLY A 40 7.429 15.939 -2.177 1.00 0.00 O ATOM 0 H GLY A 40 5.130 16.027 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.986 18.465 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.419 17.967 -0.683 1.00 0.00 H new ATOM 546 N ILE A 41 7.808 17.210 -0.360 1.00 0.00 N ATOM 547 CA ILE A 41 9.073 16.562 -0.036 1.00 0.00 C ATOM 548 C ILE A 41 9.033 15.945 1.358 1.00 0.00 C ATOM 549 O ILE A 41 9.052 16.654 2.364 1.00 0.00 O ATOM 550 CB ILE A 41 10.249 17.554 -0.112 1.00 0.00 C ATOM 551 CG1 ILE A 41 10.199 18.337 -1.426 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.573 16.816 0.020 1.00 0.00 C ATOM 553 CD1 ILE A 41 9.147 19.424 -1.441 1.00 0.00 C ATOM 0 H ILE A 41 7.539 17.955 0.283 1.00 0.00 H new ATOM 0 HA ILE A 41 9.223 15.775 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 41 10.164 18.260 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.176 18.785 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.006 17.644 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.395 17.530 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.607 16.298 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.667 16.091 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.168 19.938 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.163 18.980 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.351 20.138 -0.643 1.00 0.00 H new ATOM 565 N GLY A 42 8.981 14.617 1.411 1.00 0.00 N ATOM 566 CA GLY A 42 8.941 13.926 2.686 1.00 0.00 C ATOM 567 C GLY A 42 9.179 12.436 2.545 1.00 0.00 C ATOM 568 O GLY A 42 9.207 11.907 1.435 1.00 0.00 O ATOM 0 H GLY A 42 8.966 14.008 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.695 14.350 3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.972 14.093 3.156 1.00 0.00 H new ATOM 572 N GLY A 43 9.354 11.757 3.675 1.00 0.00 N ATOM 573 CA GLY A 43 9.591 10.325 3.651 1.00 0.00 C ATOM 574 C GLY A 43 8.304 9.525 3.640 1.00 0.00 C ATOM 575 O GLY A 43 7.502 9.612 4.571 1.00 0.00 O ATOM 0 H GLY A 43 9.336 12.173 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.180 10.072 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.183 10.043 4.522 1.00 0.00 H new ATOM 579 N LEU A 44 8.104 8.743 2.585 1.00 0.00 N ATOM 580 CA LEU A 44 6.904 7.924 2.456 1.00 0.00 C ATOM 581 C LEU A 44 7.062 6.604 3.204 1.00 0.00 C ATOM 582 O LEU A 44 8.064 5.907 3.050 1.00 0.00 O ATOM 583 CB LEU A 44 6.603 7.654 0.981 1.00 0.00 C ATOM 584 CG LEU A 44 5.560 6.573 0.695 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.265 6.873 1.433 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.309 6.456 -0.801 1.00 0.00 C ATOM 0 H LEU A 44 8.757 8.659 1.806 1.00 0.00 H new ATOM 0 HA LEU A 44 6.071 8.472 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.267 8.585 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.533 7.373 0.487 1.00 0.00 H new ATOM 0 HG LEU A 44 5.946 5.619 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.534 6.093 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.456 6.905 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.874 7.837 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.564 5.682 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.945 7.409 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.238 6.193 -1.306 1.00 0.00 H new ATOM 598 N GLY A 45 6.064 6.266 4.015 1.00 0.00 N ATOM 599 CA GLY A 45 6.110 5.030 4.774 1.00 0.00 C ATOM 600 C GLY A 45 4.868 4.183 4.580 1.00 0.00 C ATOM 601 O GLY A 45 3.766 4.593 4.947 1.00 0.00 O ATOM 0 H GLY A 45 5.224 6.826 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.987 4.456 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.226 5.262 5.833 1.00 0.00 H new ATOM 605 N ILE A 46 5.045 3.001 4.000 1.00 0.00 N ATOM 606 CA ILE A 46 3.928 2.095 3.757 1.00 0.00 C ATOM 607 C ILE A 46 4.066 0.820 4.582 1.00 0.00 C ATOM 608 O ILE A 46 5.039 0.079 4.444 1.00 0.00 O ATOM 609 CB ILE A 46 3.822 1.720 2.267 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.771 2.982 1.403 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.593 0.857 2.025 1.00 0.00 C ATOM 612 CD1 ILE A 46 3.887 2.704 -0.079 1.00 0.00 C ATOM 0 H ILE A 46 5.950 2.648 3.690 1.00 0.00 H new ATOM 0 HA ILE A 46 3.022 2.622 4.056 1.00 0.00 H new ATOM 0 HB ILE A 46 4.706 1.147 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.834 3.506 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.577 3.651 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.531 0.600 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.667 -0.056 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.699 1.407 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.843 3.643 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.836 2.208 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.066 2.060 -0.394 1.00 0.00 H new ATOM 624 N THR A 47 3.082 0.569 5.441 1.00 0.00 N ATOM 625 CA THR A 47 3.092 -0.617 6.288 1.00 0.00 C ATOM 626 C THR A 47 1.792 -1.402 6.151 1.00 0.00 C ATOM 627 O THR A 47 0.770 -0.861 5.726 1.00 0.00 O ATOM 628 CB THR A 47 3.301 -0.248 7.769 1.00 0.00 C ATOM 629 OG1 THR A 47 2.591 0.957 8.078 1.00 0.00 O ATOM 630 CG2 THR A 47 4.780 -0.064 8.076 1.00 0.00 C ATOM 0 H THR A 47 2.269 1.171 5.568 1.00 0.00 H new ATOM 0 HA THR A 47 3.924 -1.236 5.954 1.00 0.00 H new ATOM 0 HB THR A 47 2.917 -1.063 8.382 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.727 1.184 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.904 0.196 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.313 -0.991 7.866 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.184 0.735 7.455 1.00 0.00 H new ATOM 638 N VAL A 48 1.836 -2.680 6.513 1.00 0.00 N ATOM 639 CA VAL A 48 0.661 -3.539 6.432 1.00 0.00 C ATOM 640 C VAL A 48 0.378 -4.211 7.771 1.00 0.00 C ATOM 641 O VAL A 48 1.287 -4.720 8.425 1.00 0.00 O ATOM 642 CB VAL A 48 0.832 -4.623 5.352 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.239 -5.694 5.496 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.794 -4.003 3.964 1.00 0.00 C ATOM 0 H VAL A 48 2.673 -3.144 6.865 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.181 -2.900 6.165 1.00 0.00 H new ATOM 0 HB VAL A 48 1.805 -5.095 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.102 -6.452 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.159 -6.159 6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.224 -5.240 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.916 -4.784 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.163 -3.503 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.601 -3.277 3.868 1.00 0.00 H new ATOM 654 N GLU A 49 -0.889 -4.207 8.173 1.00 0.00 N ATOM 655 CA GLU A 49 -1.292 -4.816 9.435 1.00 0.00 C ATOM 656 C GLU A 49 -2.373 -5.870 9.210 1.00 0.00 C ATOM 657 O GLU A 49 -3.322 -5.651 8.459 1.00 0.00 O ATOM 658 CB GLU A 49 -1.800 -3.747 10.404 1.00 0.00 C ATOM 659 CG GLU A 49 -0.692 -3.047 11.173 1.00 0.00 C ATOM 660 CD GLU A 49 -1.213 -2.260 12.360 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.343 -1.735 12.275 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.490 -2.168 13.374 1.00 0.00 O ATOM 0 H GLU A 49 -1.654 -3.789 7.643 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.419 -5.303 9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.369 -3.004 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.487 -4.208 11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.028 -3.788 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.158 -2.374 10.502 1.00 0.00 H new ATOM 669 N GLY A 50 -2.220 -7.015 9.868 1.00 0.00 N ATOM 670 CA GLY A 50 -3.190 -8.086 9.727 1.00 0.00 C ATOM 671 C GLY A 50 -2.956 -9.214 10.713 1.00 0.00 C ATOM 672 O GLY A 50 -2.221 -9.070 11.690 1.00 0.00 O ATOM 0 H GLY A 50 -1.443 -7.220 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.193 -7.685 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.146 -8.480 8.712 1.00 0.00 H new ATOM 676 N PRO A 51 -3.593 -10.367 10.461 1.00 0.00 N ATOM 677 CA PRO A 51 -3.467 -11.545 11.324 1.00 0.00 C ATOM 678 C PRO A 51 -2.082 -12.179 11.242 1.00 0.00 C ATOM 679 O PRO A 51 -1.749 -13.070 12.023 1.00 0.00 O ATOM 680 CB PRO A 51 -4.526 -12.503 10.773 1.00 0.00 C ATOM 681 CG PRO A 51 -4.701 -12.097 9.350 1.00 0.00 C ATOM 682 CD PRO A 51 -4.484 -10.609 9.314 1.00 0.00 C ATOM 0 HA PRO A 51 -3.604 -11.295 12.376 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.201 -13.540 10.851 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.461 -12.420 11.326 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.987 -12.611 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.697 -12.355 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.027 -10.292 8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.423 -10.063 9.412 1.00 0.00 H new ATOM 690 N SER A 52 -1.278 -11.712 10.291 1.00 0.00 N ATOM 691 CA SER A 52 0.070 -12.236 10.105 1.00 0.00 C ATOM 692 C SER A 52 0.981 -11.181 9.484 1.00 0.00 C ATOM 693 O SER A 52 0.531 -10.333 8.715 1.00 0.00 O ATOM 694 CB SER A 52 0.038 -13.483 9.220 1.00 0.00 C ATOM 695 OG SER A 52 -0.088 -13.135 7.853 1.00 0.00 O ATOM 0 H SER A 52 -1.537 -10.972 9.638 1.00 0.00 H new ATOM 0 HA SER A 52 0.467 -12.505 11.084 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.950 -14.062 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.796 -14.120 9.515 1.00 0.00 H new ATOM 0 HG SER A 52 -1.011 -12.862 7.669 1.00 0.00 H new ATOM 701 N GLU A 53 2.265 -11.243 9.825 1.00 0.00 N ATOM 702 CA GLU A 53 3.239 -10.293 9.301 1.00 0.00 C ATOM 703 C GLU A 53 3.458 -10.506 7.806 1.00 0.00 C ATOM 704 O GLU A 53 3.645 -11.633 7.350 1.00 0.00 O ATOM 705 CB GLU A 53 4.569 -10.430 10.047 1.00 0.00 C ATOM 706 CG GLU A 53 5.661 -9.516 9.516 1.00 0.00 C ATOM 707 CD GLU A 53 6.973 -9.684 10.257 1.00 0.00 C ATOM 708 OE1 GLU A 53 7.767 -10.566 9.868 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.206 -8.932 11.227 1.00 0.00 O ATOM 0 H GLU A 53 2.654 -11.940 10.460 1.00 0.00 H new ATOM 0 HA GLU A 53 2.846 -9.288 9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.408 -10.214 11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.908 -11.464 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.817 -9.720 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.333 -8.480 9.596 1.00 0.00 H new ATOM 716 N SER A 54 3.433 -9.413 7.049 1.00 0.00 N ATOM 717 CA SER A 54 3.623 -9.480 5.605 1.00 0.00 C ATOM 718 C SER A 54 4.996 -8.942 5.213 1.00 0.00 C ATOM 719 O SER A 54 5.498 -7.990 5.812 1.00 0.00 O ATOM 720 CB SER A 54 2.529 -8.687 4.888 1.00 0.00 C ATOM 721 OG SER A 54 1.244 -9.206 5.188 1.00 0.00 O ATOM 0 H SER A 54 3.283 -8.472 7.412 1.00 0.00 H new ATOM 0 HA SER A 54 3.561 -10.526 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.580 -7.640 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.697 -8.721 3.811 1.00 0.00 H new ATOM 0 HG SER A 54 0.562 -8.681 4.719 1.00 0.00 H new ATOM 727 N LYS A 55 5.600 -9.558 4.203 1.00 0.00 N ATOM 728 CA LYS A 55 6.914 -9.142 3.727 1.00 0.00 C ATOM 729 C LYS A 55 6.806 -7.910 2.836 1.00 0.00 C ATOM 730 O LYS A 55 6.551 -8.021 1.636 1.00 0.00 O ATOM 731 CB LYS A 55 7.585 -10.283 2.959 1.00 0.00 C ATOM 732 CG LYS A 55 8.415 -11.203 3.838 1.00 0.00 C ATOM 733 CD LYS A 55 8.764 -12.495 3.120 1.00 0.00 C ATOM 734 CE LYS A 55 10.084 -13.068 3.613 1.00 0.00 C ATOM 735 NZ LYS A 55 9.991 -13.544 5.021 1.00 0.00 N ATOM 0 H LYS A 55 5.200 -10.348 3.697 1.00 0.00 H new ATOM 0 HA LYS A 55 7.523 -8.888 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.818 -10.871 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.224 -9.861 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.331 -10.693 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.864 -11.430 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.969 -13.225 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.824 -12.312 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.384 -13.895 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.861 -12.307 3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.911 -13.927 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.730 -12.750 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.268 -14.288 5.089 1.00 0.00 H new ATOM 749 N ILE A 56 7.002 -6.737 3.429 1.00 0.00 N ATOM 750 CA ILE A 56 6.929 -5.485 2.687 1.00 0.00 C ATOM 751 C ILE A 56 8.292 -5.099 2.124 1.00 0.00 C ATOM 752 O ILE A 56 9.327 -5.389 2.722 1.00 0.00 O ATOM 753 CB ILE A 56 6.407 -4.336 3.571 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.901 -4.482 3.799 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.724 -2.992 2.934 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.360 -3.562 4.870 1.00 0.00 C ATOM 0 H ILE A 56 7.213 -6.628 4.421 1.00 0.00 H new ATOM 0 HA ILE A 56 6.232 -5.646 1.865 1.00 0.00 H new ATOM 0 HB ILE A 56 6.908 -4.385 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.379 -4.283 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.682 -5.514 4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.349 -2.190 3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.803 -2.889 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.247 -2.932 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.287 -3.720 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.855 -3.776 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.548 -2.526 4.588 1.00 0.00 H new ATOM 768 N ASN A 57 8.284 -4.440 0.969 1.00 0.00 N ATOM 769 CA ASN A 57 9.521 -4.012 0.325 1.00 0.00 C ATOM 770 C ASN A 57 9.294 -2.753 -0.506 1.00 0.00 C ATOM 771 O ASN A 57 8.594 -2.783 -1.519 1.00 0.00 O ATOM 772 CB ASN A 57 10.071 -5.130 -0.563 1.00 0.00 C ATOM 773 CG ASN A 57 10.603 -6.300 0.244 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.556 -6.157 1.010 1.00 0.00 O ATOM 775 ND2 ASN A 57 9.988 -7.464 0.073 1.00 0.00 N ATOM 0 H ASN A 57 7.436 -4.191 0.461 1.00 0.00 H new ATOM 0 HA ASN A 57 10.248 -3.785 1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.284 -5.480 -1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.868 -4.733 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.302 -8.287 0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.202 -7.535 -0.573 1.00 0.00 H new ATOM 782 N CYS A 58 9.890 -1.649 -0.071 1.00 0.00 N ATOM 783 CA CYS A 58 9.753 -0.378 -0.775 1.00 0.00 C ATOM 784 C CYS A 58 10.809 -0.246 -1.868 1.00 0.00 C ATOM 785 O CYS A 58 11.961 -0.638 -1.683 1.00 0.00 O ATOM 786 CB CYS A 58 9.871 0.788 0.208 1.00 0.00 C ATOM 787 SG CYS A 58 11.522 0.995 0.914 1.00 0.00 S ATOM 0 H CYS A 58 10.473 -1.607 0.765 1.00 0.00 H new ATOM 0 HA CYS A 58 8.768 -0.353 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.588 1.709 -0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.157 0.640 1.018 1.00 0.00 H new ATOM 0 HG CYS A 58 12.397 0.412 0.150 1.00 0.00 H new ATOM 793 N ARG A 59 10.406 0.307 -3.007 1.00 0.00 N ATOM 794 CA ARG A 59 11.316 0.489 -4.132 1.00 0.00 C ATOM 795 C ARG A 59 11.431 1.963 -4.506 1.00 0.00 C ATOM 796 O ARG A 59 10.435 2.687 -4.529 1.00 0.00 O ATOM 797 CB ARG A 59 10.837 -0.320 -5.339 1.00 0.00 C ATOM 798 CG ARG A 59 11.955 -0.720 -6.287 1.00 0.00 C ATOM 799 CD ARG A 59 12.711 -1.936 -5.776 1.00 0.00 C ATOM 800 NE ARG A 59 11.992 -3.179 -6.042 1.00 0.00 N ATOM 801 CZ ARG A 59 12.533 -4.385 -5.908 1.00 0.00 C ATOM 802 NH1 ARG A 59 13.792 -4.509 -5.512 1.00 0.00 N ATOM 803 NH2 ARG A 59 11.814 -5.469 -6.170 1.00 0.00 N ATOM 0 H ARG A 59 9.456 0.637 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 59 12.301 0.131 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.333 -1.219 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.099 0.265 -5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.539 -0.936 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.646 0.114 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.693 -1.977 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.877 -1.835 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 59 11.021 -3.118 -6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.347 -3.678 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.206 -5.436 -5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.845 -5.377 -6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.230 -6.394 -6.067 1.00 0.00 H new ATOM 817 N ASP A 60 12.650 2.401 -4.799 1.00 0.00 N ATOM 818 CA ASP A 60 12.895 3.789 -5.174 1.00 0.00 C ATOM 819 C ASP A 60 12.879 3.954 -6.690 1.00 0.00 C ATOM 820 O ASP A 60 13.711 3.384 -7.395 1.00 0.00 O ATOM 821 CB ASP A 60 14.236 4.263 -4.611 1.00 0.00 C ATOM 822 CG ASP A 60 14.534 5.707 -4.962 1.00 0.00 C ATOM 823 OD1 ASP A 60 13.818 6.600 -4.462 1.00 0.00 O ATOM 824 OD2 ASP A 60 15.484 5.945 -5.737 1.00 0.00 O ATOM 0 H ASP A 60 13.485 1.815 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 60 12.096 4.399 -4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.232 4.149 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.033 3.627 -4.995 1.00 0.00 H new ATOM 829 N ASN A 61 11.926 4.737 -7.185 1.00 0.00 N ATOM 830 CA ASN A 61 11.801 4.975 -8.619 1.00 0.00 C ATOM 831 C ASN A 61 12.395 6.328 -8.999 1.00 0.00 C ATOM 832 O ASN A 61 12.003 7.364 -8.462 1.00 0.00 O ATOM 833 CB ASN A 61 10.331 4.914 -9.040 1.00 0.00 C ATOM 834 CG ASN A 61 9.582 3.783 -8.363 1.00 0.00 C ATOM 835 OD1 ASN A 61 9.830 2.609 -8.635 1.00 0.00 O ATOM 836 ND2 ASN A 61 8.659 4.134 -7.475 1.00 0.00 N ATOM 0 H ASN A 61 11.229 5.217 -6.615 1.00 0.00 H new ATOM 0 HA ASN A 61 12.355 4.195 -9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.848 5.861 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.270 4.790 -10.121 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.122 3.417 -6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.487 5.120 -7.281 1.00 0.00 H new ATOM 843 N LYS A 62 13.343 6.311 -9.929 1.00 0.00 N ATOM 844 CA LYS A 62 13.991 7.535 -10.385 1.00 0.00 C ATOM 845 C LYS A 62 13.213 8.168 -11.534 1.00 0.00 C ATOM 846 O LYS A 62 13.802 8.704 -12.473 1.00 0.00 O ATOM 847 CB LYS A 62 15.427 7.243 -10.826 1.00 0.00 C ATOM 848 CG LYS A 62 16.427 7.245 -9.683 1.00 0.00 C ATOM 849 CD LYS A 62 17.858 7.252 -10.194 1.00 0.00 C ATOM 850 CE LYS A 62 18.388 5.839 -10.386 1.00 0.00 C ATOM 851 NZ LYS A 62 19.868 5.818 -10.544 1.00 0.00 N ATOM 0 H LYS A 62 13.680 5.462 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 62 14.009 8.238 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.456 6.272 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.730 7.986 -11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.260 8.119 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.267 6.367 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.905 7.791 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.494 7.788 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.106 5.226 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.923 5.393 -11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.190 4.837 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.136 6.382 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.314 6.220 -9.695 1.00 0.00 H new ATOM 865 N ASP A 63 11.889 8.102 -11.453 1.00 0.00 N ATOM 866 CA ASP A 63 11.031 8.671 -12.486 1.00 0.00 C ATOM 867 C ASP A 63 10.081 9.707 -11.893 1.00 0.00 C ATOM 868 O ASP A 63 10.112 10.879 -12.267 1.00 0.00 O ATOM 869 CB ASP A 63 10.232 7.567 -13.180 1.00 0.00 C ATOM 870 CG ASP A 63 9.629 8.027 -14.493 1.00 0.00 C ATOM 871 OD1 ASP A 63 10.360 8.635 -15.302 1.00 0.00 O ATOM 872 OD2 ASP A 63 8.425 7.778 -14.711 1.00 0.00 O ATOM 0 H ASP A 63 11.386 7.660 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 63 11.667 9.165 -13.220 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.882 6.711 -13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.436 7.227 -12.517 1.00 0.00 H new ATOM 877 N GLY A 64 9.236 9.266 -10.966 1.00 0.00 N ATOM 878 CA GLY A 64 8.288 10.168 -10.338 1.00 0.00 C ATOM 879 C GLY A 64 7.128 9.433 -9.696 1.00 0.00 C ATOM 880 O GLY A 64 5.966 9.749 -9.952 1.00 0.00 O ATOM 0 H GLY A 64 9.191 8.301 -10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.802 10.761 -9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.905 10.865 -11.084 1.00 0.00 H new ATOM 884 N SER A 65 7.442 8.449 -8.859 1.00 0.00 N ATOM 885 CA SER A 65 6.417 7.664 -8.183 1.00 0.00 C ATOM 886 C SER A 65 7.028 6.809 -7.076 1.00 0.00 C ATOM 887 O SER A 65 8.232 6.873 -6.822 1.00 0.00 O ATOM 888 CB SER A 65 5.684 6.771 -9.186 1.00 0.00 C ATOM 889 OG SER A 65 6.590 6.184 -10.103 1.00 0.00 O ATOM 0 H SER A 65 8.399 8.177 -8.633 1.00 0.00 H new ATOM 0 HA SER A 65 5.704 8.355 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.143 5.989 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.943 7.359 -9.728 1.00 0.00 H new ATOM 0 HG SER A 65 6.097 5.617 -10.732 1.00 0.00 H new ATOM 895 N CYS A 66 6.191 6.011 -6.423 1.00 0.00 N ATOM 896 CA CYS A 66 6.648 5.144 -5.343 1.00 0.00 C ATOM 897 C CYS A 66 6.046 3.749 -5.474 1.00 0.00 C ATOM 898 O CYS A 66 4.845 3.599 -5.698 1.00 0.00 O ATOM 899 CB CYS A 66 6.280 5.747 -3.986 1.00 0.00 C ATOM 900 SG CYS A 66 7.406 7.044 -3.424 1.00 0.00 S ATOM 0 H CYS A 66 5.193 5.946 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 66 7.733 5.060 -5.412 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.272 6.157 -4.044 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.259 4.952 -3.241 1.00 0.00 H new ATOM 0 HG CYS A 66 7.940 6.694 -2.291 1.00 0.00 H new ATOM 906 N SER A 67 6.889 2.731 -5.334 1.00 0.00 N ATOM 907 CA SER A 67 6.441 1.347 -5.442 1.00 0.00 C ATOM 908 C SER A 67 6.569 0.628 -4.103 1.00 0.00 C ATOM 909 O SER A 67 7.579 0.757 -3.411 1.00 0.00 O ATOM 910 CB SER A 67 7.250 0.609 -6.510 1.00 0.00 C ATOM 911 OG SER A 67 6.479 -0.412 -7.120 1.00 0.00 O ATOM 0 H SER A 67 7.886 2.838 -5.146 1.00 0.00 H new ATOM 0 HA SER A 67 5.390 1.353 -5.732 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.588 1.316 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.142 0.175 -6.059 1.00 0.00 H new ATOM 0 HG SER A 67 7.018 -0.867 -7.800 1.00 0.00 H new ATOM 917 N ALA A 68 5.538 -0.130 -3.744 1.00 0.00 N ATOM 918 CA ALA A 68 5.535 -0.871 -2.489 1.00 0.00 C ATOM 919 C ALA A 68 4.920 -2.255 -2.671 1.00 0.00 C ATOM 920 O ALA A 68 3.762 -2.381 -3.068 1.00 0.00 O ATOM 921 CB ALA A 68 4.784 -0.094 -1.418 1.00 0.00 C ATOM 0 H ALA A 68 4.694 -0.247 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 68 6.569 -1.000 -2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.790 -0.660 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.268 0.870 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.755 0.066 -1.739 1.00 0.00 H new ATOM 927 N GLU A 69 5.702 -3.289 -2.377 1.00 0.00 N ATOM 928 CA GLU A 69 5.233 -4.663 -2.510 1.00 0.00 C ATOM 929 C GLU A 69 5.147 -5.342 -1.147 1.00 0.00 C ATOM 930 O GLU A 69 6.001 -5.138 -0.284 1.00 0.00 O ATOM 931 CB GLU A 69 6.164 -5.456 -3.430 1.00 0.00 C ATOM 932 CG GLU A 69 7.584 -5.574 -2.903 1.00 0.00 C ATOM 933 CD GLU A 69 8.601 -5.779 -4.009 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.328 -6.582 -4.926 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.670 -5.135 -3.958 1.00 0.00 O ATOM 0 H GLU A 69 6.663 -3.201 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 69 4.235 -4.639 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.754 -6.456 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.187 -4.978 -4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.837 -4.673 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.640 -6.408 -2.204 1.00 0.00 H new ATOM 942 N TYR A 70 4.110 -6.151 -0.960 1.00 0.00 N ATOM 943 CA TYR A 70 3.909 -6.859 0.299 1.00 0.00 C ATOM 944 C TYR A 70 3.458 -8.295 0.051 1.00 0.00 C ATOM 945 O TYR A 70 2.766 -8.579 -0.928 1.00 0.00 O ATOM 946 CB TYR A 70 2.876 -6.129 1.159 1.00 0.00 C ATOM 947 CG TYR A 70 1.480 -6.154 0.580 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.610 -7.201 0.856 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.029 -5.128 -0.242 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.666 -7.228 0.328 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.246 -5.145 -0.773 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.090 -6.198 -0.485 1.00 0.00 C ATOM 953 OH TYR A 70 -2.361 -6.220 -1.012 1.00 0.00 O ATOM 0 H TYR A 70 3.395 -6.333 -1.665 1.00 0.00 H new ATOM 0 HA TYR A 70 4.861 -6.883 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.857 -6.581 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.189 -5.093 1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.937 -8.008 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.687 -4.303 -0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.328 -8.052 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.580 -4.339 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.796 -5.357 -0.852 1.00 0.00 H new ATOM 963 N ILE A 71 3.853 -9.195 0.944 1.00 0.00 N ATOM 964 CA ILE A 71 3.489 -10.601 0.824 1.00 0.00 C ATOM 965 C ILE A 71 2.998 -11.158 2.156 1.00 0.00 C ATOM 966 O ILE A 71 3.777 -11.414 3.074 1.00 0.00 O ATOM 967 CB ILE A 71 4.675 -11.450 0.331 1.00 0.00 C ATOM 968 CG1 ILE A 71 5.060 -11.050 -1.095 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.330 -12.931 0.396 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.433 -11.530 -1.508 1.00 0.00 C ATOM 0 H ILE A 71 4.426 -8.976 1.759 1.00 0.00 H new ATOM 0 HA ILE A 71 2.684 -10.656 0.091 1.00 0.00 H new ATOM 0 HB ILE A 71 5.529 -11.266 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.320 -11.451 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.023 -9.964 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.178 -13.518 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.100 -13.206 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.464 -13.131 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.638 -11.210 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.183 -11.108 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.469 -12.618 -1.454 1.00 0.00 H new ATOM 982 N PRO A 72 1.676 -11.352 2.266 1.00 0.00 N ATOM 983 CA PRO A 72 1.052 -11.883 3.481 1.00 0.00 C ATOM 984 C PRO A 72 1.385 -13.353 3.709 1.00 0.00 C ATOM 985 O PRO A 72 1.964 -14.010 2.844 1.00 0.00 O ATOM 986 CB PRO A 72 -0.446 -11.709 3.216 1.00 0.00 C ATOM 987 CG PRO A 72 -0.570 -11.708 1.731 1.00 0.00 C ATOM 988 CD PRO A 72 0.688 -11.068 1.211 1.00 0.00 C ATOM 0 HA PRO A 72 1.403 -11.370 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.024 -12.519 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.819 -10.779 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.679 -12.723 1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.451 -11.151 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.989 -11.493 0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.560 -9.996 1.058 1.00 0.00 H new ATOM 996 N PHE A 73 1.016 -13.864 4.879 1.00 0.00 N ATOM 997 CA PHE A 73 1.276 -15.258 5.221 1.00 0.00 C ATOM 998 C PHE A 73 -0.018 -15.979 5.587 1.00 0.00 C ATOM 999 O PHE A 73 -0.048 -17.204 5.698 1.00 0.00 O ATOM 1000 CB PHE A 73 2.267 -15.343 6.384 1.00 0.00 C ATOM 1001 CG PHE A 73 3.648 -14.870 6.030 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.861 -13.571 5.599 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.734 -15.726 6.129 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.131 -13.133 5.273 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.006 -15.293 5.805 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.205 -13.996 5.375 1.00 0.00 C ATOM 0 H PHE A 73 0.536 -13.334 5.606 1.00 0.00 H new ATOM 0 HA PHE A 73 1.708 -15.746 4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.890 -14.749 7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.322 -16.375 6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.025 -12.892 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.585 -16.742 6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.283 -12.117 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.844 -15.969 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.198 -13.657 5.119 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.085 -15.209 5.773 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.382 -15.774 6.125 1.00 0.00 C ATOM 1018 C ALA A 74 -3.520 -14.911 5.590 1.00 0.00 C ATOM 1019 O ALA A 74 -3.438 -13.683 5.559 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.499 -15.928 7.634 1.00 0.00 C ATOM 0 H ALA A 74 -1.077 -14.193 5.686 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.459 -16.758 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.472 -16.351 7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.713 -16.591 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.396 -14.952 8.108 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.607 -15.566 5.157 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.782 -14.878 4.615 1.00 0.00 C ATOM 1028 C PRO A 75 -6.550 -14.111 5.686 1.00 0.00 C ATOM 1029 O PRO A 75 -6.602 -14.525 6.843 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.637 -16.020 4.058 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.232 -17.216 4.848 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.773 -17.029 5.164 1.00 0.00 C ATOM 0 HA PRO A 75 -5.509 -14.130 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.701 -15.811 4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.455 -16.168 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.822 -17.299 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.394 -18.132 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.513 -17.458 6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.136 -17.509 4.421 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.147 -12.990 5.291 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.905 -12.183 6.230 1.00 0.00 C ATOM 1042 C GLY A 76 -8.004 -10.733 5.800 1.00 0.00 C ATOM 1043 O GLY A 76 -7.666 -10.390 4.667 1.00 0.00 O ATOM 0 H GLY A 76 -7.119 -12.627 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.908 -12.597 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.435 -12.236 7.212 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.471 -9.880 6.705 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.615 -8.459 6.413 1.00 0.00 C ATOM 1049 C ASP A 77 -7.347 -7.697 6.786 1.00 0.00 C ATOM 1050 O ASP A 77 -7.044 -7.513 7.965 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.813 -7.880 7.168 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.937 -8.885 7.328 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -11.012 -9.827 6.511 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.741 -8.730 8.270 1.00 0.00 O ATOM 0 H ASP A 77 -8.756 -10.148 7.647 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.783 -8.348 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.489 -7.541 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.185 -7.004 6.636 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.609 -7.256 5.773 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.372 -6.517 5.993 1.00 0.00 C ATOM 1061 C TYR A 78 -5.585 -5.022 5.779 1.00 0.00 C ATOM 1062 O TYR A 78 -6.502 -4.609 5.069 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.275 -7.026 5.057 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.675 -8.346 5.488 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.447 -9.501 5.531 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.338 -8.438 5.853 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.904 -10.708 5.924 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.786 -9.642 6.246 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.573 -10.774 6.281 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.028 -11.975 6.674 1.00 0.00 O ATOM 0 H TYR A 78 -6.846 -7.398 4.791 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.062 -6.677 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.687 -7.134 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.484 -6.279 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.489 -9.453 5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.719 -7.553 5.829 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.518 -11.596 5.952 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.744 -9.696 6.524 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.368 -12.692 6.099 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.730 -4.214 6.398 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.822 -2.764 6.274 1.00 0.00 C ATOM 1082 C ASP A 79 -3.476 -2.166 5.876 1.00 0.00 C ATOM 1083 O ASP A 79 -2.466 -2.384 6.545 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.298 -2.148 7.591 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.808 -2.033 7.664 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.435 -1.774 6.615 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.363 -2.203 8.769 1.00 0.00 O ATOM 0 H ASP A 79 -3.966 -4.539 6.990 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.546 -2.536 5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.942 -2.756 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.855 -1.159 7.707 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.470 -1.412 4.781 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.249 -0.783 4.293 1.00 0.00 C ATOM 1094 C VAL A 80 -2.135 0.654 4.789 1.00 0.00 C ATOM 1095 O VAL A 80 -2.828 1.546 4.301 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.191 -0.789 2.754 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.909 -0.132 2.265 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.307 -2.210 2.223 1.00 0.00 C ATOM 0 H VAL A 80 -4.297 -1.222 4.215 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.415 -1.366 4.683 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.034 -0.213 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.886 -0.146 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.872 0.899 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.049 -0.678 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.264 -2.196 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.485 -2.812 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.255 -2.642 2.543 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.256 0.871 5.761 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.051 2.201 6.324 1.00 0.00 C ATOM 1110 C ASN A 81 -0.016 2.979 5.518 1.00 0.00 C ATOM 1111 O ASN A 81 1.165 2.632 5.506 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.604 2.096 7.784 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.716 1.615 8.696 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.436 2.417 9.292 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.860 0.300 8.809 1.00 0.00 N ATOM 0 H ASN A 81 -0.674 0.143 6.176 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.999 2.738 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.241 1.411 7.854 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.254 3.070 8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.591 -0.083 9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.240 -0.327 8.296 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.468 4.033 4.846 1.00 0.00 N ATOM 1123 CA ILE A 82 0.420 4.861 4.039 1.00 0.00 C ATOM 1124 C ILE A 82 0.431 6.302 4.537 1.00 0.00 C ATOM 1125 O ILE A 82 -0.613 6.952 4.616 1.00 0.00 O ATOM 1126 CB ILE A 82 0.008 4.846 2.554 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.133 3.406 2.056 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.025 5.605 1.715 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.757 3.300 0.683 1.00 0.00 C ATOM 0 H ILE A 82 -1.443 4.333 4.844 1.00 0.00 H new ATOM 0 HA ILE A 82 1.420 4.438 4.135 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.958 5.341 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.852 2.939 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.738 2.842 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.720 5.586 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.081 6.638 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.004 5.136 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.826 2.251 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.755 3.737 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.141 3.835 -0.039 1.00 0.00 H new ATOM 1141 N THR A 83 1.618 6.798 4.870 1.00 0.00 N ATOM 1142 CA THR A 83 1.766 8.163 5.360 1.00 0.00 C ATOM 1143 C THR A 83 2.903 8.883 4.645 1.00 0.00 C ATOM 1144 O THR A 83 3.935 8.285 4.339 1.00 0.00 O ATOM 1145 CB THR A 83 2.030 8.189 6.877 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.140 7.343 7.196 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.801 7.735 7.649 1.00 0.00 C ATOM 0 H THR A 83 2.491 6.275 4.809 1.00 0.00 H new ATOM 0 HA THR A 83 0.827 8.677 5.153 1.00 0.00 H new ATOM 0 HB THR A 83 2.261 9.215 7.165 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.302 7.367 8.162 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.012 7.762 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.034 8.400 7.427 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.543 6.717 7.356 1.00 0.00 H new ATOM 1155 N TYR A 84 2.708 10.171 4.382 1.00 0.00 N ATOM 1156 CA TYR A 84 3.718 10.973 3.700 1.00 0.00 C ATOM 1157 C TYR A 84 4.385 11.945 4.668 1.00 0.00 C ATOM 1158 O TYR A 84 3.802 12.959 5.048 1.00 0.00 O ATOM 1159 CB TYR A 84 3.088 11.744 2.539 1.00 0.00 C ATOM 1160 CG TYR A 84 4.091 12.213 1.510 1.00 0.00 C ATOM 1161 CD1 TYR A 84 5.006 11.330 0.949 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.126 13.540 1.099 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.925 11.755 0.008 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.040 13.973 0.158 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.937 13.077 -0.384 1.00 0.00 C ATOM 1166 OH TYR A 84 6.851 13.505 -1.320 1.00 0.00 O ATOM 0 H TYR A 84 1.861 10.682 4.630 1.00 0.00 H new ATOM 0 HA TYR A 84 4.479 10.298 3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.349 11.109 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.554 12.608 2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.999 10.294 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.426 14.245 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.629 11.056 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.052 15.008 -0.151 1.00 0.00 H new ATOM 0 HH TYR A 84 6.622 14.413 -1.610 1.00 0.00 H new ATOM 1176 N GLY A 85 5.615 11.627 5.063 1.00 0.00 N ATOM 1177 CA GLY A 85 6.343 12.481 5.983 1.00 0.00 C ATOM 1178 C GLY A 85 5.859 12.340 7.412 1.00 0.00 C ATOM 1179 O GLY A 85 6.578 11.835 8.272 1.00 0.00 O ATOM 0 H GLY A 85 6.120 10.793 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.405 12.238 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.240 13.520 5.669 1.00 0.00 H new ATOM 1183 N GLY A 86 4.634 12.791 7.667 1.00 0.00 N ATOM 1184 CA GLY A 86 4.076 12.706 9.004 1.00 0.00 C ATOM 1185 C GLY A 86 2.565 12.832 9.011 1.00 0.00 C ATOM 1186 O GLY A 86 1.969 13.163 10.035 1.00 0.00 O ATOM 0 H GLY A 86 4.019 13.213 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.360 11.754 9.453 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.506 13.492 9.624 1.00 0.00 H new ATOM 1190 N ALA A 87 1.946 12.570 7.865 1.00 0.00 N ATOM 1191 CA ALA A 87 0.496 12.656 7.744 1.00 0.00 C ATOM 1192 C ALA A 87 -0.067 11.439 7.016 1.00 0.00 C ATOM 1193 O ALA A 87 0.640 10.774 6.259 1.00 0.00 O ATOM 1194 CB ALA A 87 0.102 13.935 7.020 1.00 0.00 C ATOM 0 H ALA A 87 2.426 12.297 7.007 1.00 0.00 H new ATOM 0 HA ALA A 87 0.073 12.675 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.984 13.986 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.464 14.797 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.543 13.939 6.023 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.344 11.154 7.251 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.002 10.016 6.618 1.00 0.00 C ATOM 1202 C HIS A 88 -2.713 10.444 5.338 1.00 0.00 C ATOM 1203 O HIS A 88 -3.405 11.462 5.311 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.003 9.378 7.582 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.393 8.348 8.483 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.473 6.993 8.239 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.689 8.482 9.631 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.846 6.338 9.200 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.361 7.218 10.057 1.00 0.00 N ATOM 0 H HIS A 88 -1.943 11.695 7.874 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.238 9.282 6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.457 10.159 8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.806 8.916 7.007 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.433 9.410 10.121 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.747 5.265 9.272 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.829 6.995 10.898 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.536 9.660 4.279 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.161 9.958 2.996 1.00 0.00 C ATOM 1220 C ILE A 89 -4.647 9.617 3.016 1.00 0.00 C ATOM 1221 O ILE A 89 -5.095 8.727 3.740 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.484 9.187 1.848 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.734 7.685 1.996 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.991 9.481 1.820 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.536 6.910 0.712 1.00 0.00 C ATOM 0 H ILE A 89 -1.965 8.815 4.284 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.039 11.028 2.826 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.917 9.517 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.064 7.287 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.752 7.528 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.527 8.929 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.833 10.549 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.542 9.176 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.730 5.853 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.224 7.281 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.511 7.037 0.365 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.431 10.338 2.201 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.878 10.128 2.105 1.00 0.00 C ATOM 1239 C PRO A 90 -7.229 8.805 1.432 1.00 0.00 C ATOM 1240 O PRO A 90 -7.327 8.727 0.208 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.351 11.305 1.248 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.160 11.689 0.441 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.964 11.414 1.310 1.00 0.00 C ATOM 0 HA PRO A 90 -7.349 10.081 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.186 11.019 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.693 12.134 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.112 11.112 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.203 12.741 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.102 11.102 0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.663 12.299 1.871 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.416 7.766 2.240 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.754 6.461 1.704 1.00 0.00 C ATOM 1253 C GLY A 91 -7.173 5.328 2.527 1.00 0.00 C ATOM 1254 O GLY A 91 -7.514 4.163 2.320 1.00 0.00 O ATOM 0 H GLY A 91 -7.339 7.805 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.838 6.358 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.389 6.387 0.680 1.00 0.00 H new ATOM 1258 N SER A 92 -6.291 5.669 3.461 1.00 0.00 N ATOM 1259 CA SER A 92 -5.657 4.671 4.314 1.00 0.00 C ATOM 1260 C SER A 92 -6.239 4.713 5.724 1.00 0.00 C ATOM 1261 O SER A 92 -6.732 5.741 6.190 1.00 0.00 O ATOM 1262 CB SER A 92 -4.145 4.901 4.367 1.00 0.00 C ATOM 1263 OG SER A 92 -3.614 4.512 5.622 1.00 0.00 O ATOM 0 H SER A 92 -5.999 6.629 3.646 1.00 0.00 H new ATOM 0 HA SER A 92 -5.853 3.687 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.660 4.335 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.928 5.954 4.187 1.00 0.00 H new ATOM 0 HG SER A 92 -2.934 5.159 5.904 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.181 3.569 6.421 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.597 2.339 5.877 1.00 0.00 C ATOM 1271 C PRO A 93 -6.450 1.734 4.767 1.00 0.00 C ATOM 1272 O PRO A 93 -7.679 1.749 4.836 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.552 1.402 7.087 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.629 1.897 7.990 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.682 3.387 7.794 1.00 0.00 C ATOM 0 HA PRO A 93 -4.623 2.517 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.727 0.367 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.579 1.434 7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.586 1.437 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.413 1.648 9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.696 3.771 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.061 3.910 8.521 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.790 1.201 3.744 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.488 0.591 2.618 1.00 0.00 C ATOM 1285 C PHE A 94 -6.718 -0.897 2.863 1.00 0.00 C ATOM 1286 O PHE A 94 -5.770 -1.680 2.929 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.690 0.791 1.328 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.778 2.185 0.778 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -5.112 3.232 1.397 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.526 2.451 -0.358 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -5.192 4.516 0.893 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.609 3.733 -0.866 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.941 4.767 -0.240 1.00 0.00 C ATOM 0 H PHE A 94 -4.773 1.179 3.671 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.458 1.078 2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.644 0.549 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.049 0.089 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.524 3.042 2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.050 1.646 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.669 5.323 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.196 3.926 -1.752 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.004 5.770 -0.636 1.00 0.00 H new ATOM 1303 N ARG A 95 -7.983 -1.280 2.998 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.338 -2.674 3.237 1.00 0.00 C ATOM 1305 C ARG A 95 -7.946 -3.546 2.048 1.00 0.00 C ATOM 1306 O ARG A 95 -7.849 -3.067 0.918 1.00 0.00 O ATOM 1307 CB ARG A 95 -9.839 -2.801 3.504 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.204 -2.731 4.978 1.00 0.00 C ATOM 1309 CD ARG A 95 -9.730 -3.966 5.728 1.00 0.00 C ATOM 1310 NE ARG A 95 -9.769 -3.775 7.175 1.00 0.00 N ATOM 1311 CZ ARG A 95 -10.894 -3.673 7.874 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.068 -3.745 7.261 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -10.847 -3.501 9.189 1.00 0.00 N ATOM 0 H ARG A 95 -8.779 -0.645 2.946 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.790 -3.018 4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.363 -2.008 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.193 -3.747 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.759 -1.841 5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.285 -2.633 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.355 -4.817 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.712 -4.208 5.421 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.883 -3.717 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.108 -3.879 6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.930 -3.666 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.946 -3.447 9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.712 -3.423 9.724 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.722 -4.830 2.311 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.341 -5.770 1.264 1.00 0.00 C ATOM 1329 C VAL A 96 -7.726 -7.196 1.639 1.00 0.00 C ATOM 1330 O VAL A 96 -7.093 -7.836 2.480 1.00 0.00 O ATOM 1331 CB VAL A 96 -5.828 -5.715 0.983 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.477 -6.569 -0.226 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.376 -4.276 0.779 1.00 0.00 C ATOM 0 H VAL A 96 -7.798 -5.243 3.241 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.881 -5.476 0.364 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.301 -6.119 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.404 -6.517 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.763 -7.603 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.012 -6.199 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.304 -4.256 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.909 -3.844 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.590 -3.696 1.677 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.788 -7.710 1.002 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.281 -9.068 1.252 1.00 0.00 C ATOM 1345 C PRO A 97 -8.328 -10.136 0.728 1.00 0.00 C ATOM 1346 O PRO A 97 -8.430 -10.564 -0.422 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.606 -9.111 0.486 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.455 -8.091 -0.589 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.591 -7.005 -0.012 1.00 0.00 C ATOM 0 HA PRO A 97 -9.382 -9.275 2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.790 -10.101 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.448 -8.878 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.995 -8.525 -1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.425 -7.698 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.962 -6.545 -0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.189 -6.209 0.431 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.400 -10.564 1.579 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.429 -11.584 1.202 1.00 0.00 C ATOM 1359 C VAL A 98 -7.060 -12.972 1.206 1.00 0.00 C ATOM 1360 O VAL A 98 -7.449 -13.486 2.255 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.215 -11.581 2.150 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.189 -12.613 1.707 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.594 -10.194 2.216 1.00 0.00 C ATOM 0 H VAL A 98 -7.301 -10.220 2.534 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.093 -11.344 0.193 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.556 -11.849 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.339 -12.596 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.642 -13.604 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.850 -12.379 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.738 -10.210 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.266 -9.894 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.332 -9.482 2.585 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.158 -13.574 0.026 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.741 -14.904 -0.109 1.00 0.00 C ATOM 1375 C LYS A 99 -6.655 -15.976 -0.110 1.00 0.00 C ATOM 1376 O LYS A 99 -5.469 -15.671 -0.242 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.564 -14.996 -1.396 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.541 -13.847 -1.575 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.827 -13.583 -3.044 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.536 -14.760 -3.695 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.929 -14.917 -3.191 1.00 0.00 N ATOM 0 H LYS A 99 -6.841 -13.162 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.396 -15.074 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.887 -15.023 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.116 -15.936 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.472 -14.076 -1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.134 -12.947 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.442 -12.688 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.892 -13.385 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.555 -14.620 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.975 -15.674 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.432 -15.616 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.906 -15.242 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.422 -14.003 -3.243 1.00 0.00 H new ATOM 1395 N ASP A 100 -7.068 -17.230 0.037 1.00 0.00 N ATOM 1396 CA ASP A 100 -6.130 -18.347 0.050 1.00 0.00 C ATOM 1397 C ASP A 100 -6.075 -19.026 -1.315 1.00 0.00 C ATOM 1398 O ASP A 100 -7.089 -19.505 -1.823 1.00 0.00 O ATOM 1399 CB ASP A 100 -6.528 -19.362 1.123 1.00 0.00 C ATOM 1400 CG ASP A 100 -8.031 -19.463 1.295 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -8.733 -19.646 0.279 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -8.505 -19.358 2.446 1.00 0.00 O ATOM 0 H ASP A 100 -8.046 -17.499 0.149 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.139 -17.955 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.129 -20.341 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.075 -19.079 2.073 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.884 -19.063 -1.904 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.697 -19.684 -3.210 1.00 0.00 C ATOM 1409 C VAL A 101 -5.243 -21.107 -3.226 1.00 0.00 C ATOM 1410 O VAL A 101 -5.979 -21.491 -4.135 1.00 0.00 O ATOM 1411 CB VAL A 101 -3.210 -19.712 -3.610 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -3.044 -20.277 -5.012 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.606 -18.319 -3.512 1.00 0.00 C ATOM 0 H VAL A 101 -4.035 -18.671 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.248 -19.079 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.678 -20.364 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.987 -20.289 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.437 -21.293 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.589 -19.655 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.555 -18.357 -3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.140 -17.643 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.690 -17.957 -2.487 1.00 0.00 H new ATOM 1423 N VAL A 102 -4.878 -21.886 -2.213 1.00 0.00 N ATOM 1424 CA VAL A 102 -5.333 -23.268 -2.108 1.00 0.00 C ATOM 1425 C VAL A 102 -5.105 -23.817 -0.705 1.00 0.00 C ATOM 1426 O VAL A 102 -4.560 -23.131 0.160 1.00 0.00 O ATOM 1427 CB VAL A 102 -4.614 -24.174 -3.126 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -5.315 -24.124 -4.475 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -3.153 -23.769 -3.259 1.00 0.00 C ATOM 0 H VAL A 102 -4.268 -21.584 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.401 -23.267 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.652 -25.201 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.793 -24.770 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.344 -24.466 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.311 -23.100 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.660 -24.419 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.092 -22.735 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.660 -23.862 -2.291 1.00 0.00 H new ATOM 1439 N ASP A 103 -5.524 -25.058 -0.486 1.00 0.00 N ATOM 1440 CA ASP A 103 -5.364 -25.702 0.813 1.00 0.00 C ATOM 1441 C ASP A 103 -3.951 -25.499 1.350 1.00 0.00 C ATOM 1442 O ASP A 103 -2.976 -25.457 0.599 1.00 0.00 O ATOM 1443 CB ASP A 103 -5.674 -27.196 0.708 1.00 0.00 C ATOM 1444 CG ASP A 103 -4.775 -27.904 -0.287 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -3.541 -27.881 -0.094 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -5.305 -28.483 -1.257 1.00 0.00 O ATOM 0 H ASP A 103 -5.977 -25.639 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.067 -25.242 1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.560 -27.658 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.715 -27.329 0.412 1.00 0.00 H new ATOM 1451 N PRO A 104 -3.835 -25.368 2.679 1.00 0.00 N ATOM 1452 CA PRO A 104 -2.546 -25.167 3.346 1.00 0.00 C ATOM 1453 C PRO A 104 -1.665 -26.411 3.294 1.00 0.00 C ATOM 1454 O PRO A 104 -2.107 -27.478 2.867 1.00 0.00 O ATOM 1455 CB PRO A 104 -2.939 -24.850 4.791 1.00 0.00 C ATOM 1456 CG PRO A 104 -4.271 -25.493 4.971 1.00 0.00 C ATOM 1457 CD PRO A 104 -4.955 -25.407 3.635 1.00 0.00 C ATOM 0 HA PRO A 104 -1.958 -24.383 2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.209 -25.247 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.992 -23.774 4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.164 -26.530 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.850 -24.982 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.603 -26.266 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.579 -24.516 3.560 1.00 0.00 H new ATOM 1465 N SER A 105 -0.418 -26.266 3.730 1.00 0.00 N ATOM 1466 CA SER A 105 0.525 -27.378 3.730 1.00 0.00 C ATOM 1467 C SER A 105 0.167 -28.395 4.809 1.00 0.00 C ATOM 1468 O SER A 105 -0.053 -29.570 4.519 1.00 0.00 O ATOM 1469 CB SER A 105 1.950 -26.866 3.949 1.00 0.00 C ATOM 1470 OG SER A 105 2.905 -27.776 3.432 1.00 0.00 O ATOM 0 H SER A 105 -0.037 -25.390 4.088 1.00 0.00 H new ATOM 0 HA SER A 105 0.468 -27.870 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.069 -25.896 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.126 -26.716 5.014 1.00 0.00 H new ATOM 0 HG SER A 105 3.807 -27.424 3.583 1.00 0.00 H new TER 1476 SER A 105