USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.0136 X(o=-0.014,f=-4.3e-05) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0236 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.745 USER MOD Single : A 5 SER OG : rot 49:sc= 0.126 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0927 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 71:sc= 0.37 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.04) USER MOD Single : A 39 MET CE :methyl -172:sc= -0.0316 (180deg=-0.132) USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= -0.0185 (180deg=-1.11) USER MOD Single : A 46 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.7!) USER MOD Single : A 56 GLN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 57 MET CE :methyl -105:sc= -3.96! (180deg=-7.86!) USER MOD Single : A 67 GLN : amide:sc= 0.383 X(o=0.38,f=-0.0076) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 76 MET CE :methyl 176:sc= -1.17 (180deg=-1.31) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 143:sc= 1.18 (180deg=0.313) USER MOD Single : A 81 GLN : amide:sc= -0.892 K(o=-0.89,f=-3.5!) USER MOD Single : A 83 MET CE :methyl -121:sc= -0.117 (180deg=-0.595) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -69:sc= -1.9 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 100 SER OG : rot 180:sc= -0.046 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.707 -8.305 19.999 1.00 0.00 N ATOM 2 CA GLY A 1 -11.910 -7.749 19.404 1.00 0.00 C ATOM 3 C GLY A 1 -12.661 -8.807 18.594 1.00 0.00 C ATOM 4 O GLY A 1 -12.732 -9.967 18.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.573 -7.905 20.950 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.799 -9.339 20.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.886 -8.070 19.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.559 -7.357 20.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.647 -6.911 18.759 1.00 0.00 H new ATOM 8 N SER A 2 -13.202 -8.369 17.466 1.00 0.00 N ATOM 9 CA SER A 2 -13.945 -9.264 16.596 1.00 0.00 C ATOM 10 C SER A 2 -13.562 -9.012 15.136 1.00 0.00 C ATOM 11 O SER A 2 -13.296 -7.876 14.748 1.00 0.00 O ATOM 12 CB SER A 2 -15.454 -9.092 16.786 1.00 0.00 C ATOM 13 OG SER A 2 -15.856 -7.731 16.657 1.00 0.00 O ATOM 0 H SER A 2 -13.140 -7.406 17.135 1.00 0.00 H new ATOM 0 HA SER A 2 -13.688 -10.289 16.861 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.983 -9.698 16.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.740 -9.463 17.770 1.00 0.00 H new ATOM 0 HG SER A 2 -16.825 -7.663 16.783 1.00 0.00 H new ATOM 19 N SER A 3 -13.547 -10.091 14.367 1.00 0.00 N ATOM 20 CA SER A 3 -13.201 -10.001 12.959 1.00 0.00 C ATOM 21 C SER A 3 -13.754 -11.213 12.206 1.00 0.00 C ATOM 22 O SER A 3 -14.053 -12.241 12.811 1.00 0.00 O ATOM 23 CB SER A 3 -11.686 -9.904 12.769 1.00 0.00 C ATOM 24 OG SER A 3 -11.177 -8.637 13.176 1.00 0.00 O ATOM 0 H SER A 3 -13.769 -11.032 14.693 1.00 0.00 H new ATOM 0 HA SER A 3 -13.649 -9.094 12.554 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.198 -10.692 13.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.441 -10.074 11.721 1.00 0.00 H new ATOM 0 HG SER A 3 -11.868 -8.151 13.673 1.00 0.00 H new ATOM 30 N GLY A 4 -13.872 -11.052 10.896 1.00 0.00 N ATOM 31 CA GLY A 4 -14.383 -12.120 10.054 1.00 0.00 C ATOM 32 C GLY A 4 -13.507 -12.307 8.813 1.00 0.00 C ATOM 33 O GLY A 4 -12.475 -11.654 8.674 1.00 0.00 O ATOM 0 H GLY A 4 -13.622 -10.198 10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.419 -13.050 10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.405 -11.892 9.751 1.00 0.00 H new ATOM 37 N SER A 5 -13.952 -13.202 7.944 1.00 0.00 N ATOM 38 CA SER A 5 -13.222 -13.484 6.720 1.00 0.00 C ATOM 39 C SER A 5 -14.112 -14.257 5.745 1.00 0.00 C ATOM 40 O SER A 5 -15.042 -14.947 6.161 1.00 0.00 O ATOM 41 CB SER A 5 -11.943 -14.273 7.010 1.00 0.00 C ATOM 42 OG SER A 5 -10.780 -13.453 6.929 1.00 0.00 O ATOM 0 H SER A 5 -14.809 -13.742 8.063 1.00 0.00 H new ATOM 0 HA SER A 5 -12.937 -12.535 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.007 -14.714 8.005 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.856 -15.096 6.301 1.00 0.00 H new ATOM 0 HG SER A 5 -10.918 -12.636 7.453 1.00 0.00 H new ATOM 48 N SER A 6 -13.797 -14.115 4.466 1.00 0.00 N ATOM 49 CA SER A 6 -14.557 -14.791 3.428 1.00 0.00 C ATOM 50 C SER A 6 -13.706 -14.933 2.165 1.00 0.00 C ATOM 51 O SER A 6 -13.447 -16.046 1.709 1.00 0.00 O ATOM 52 CB SER A 6 -15.852 -14.038 3.115 1.00 0.00 C ATOM 53 OG SER A 6 -16.900 -14.919 2.720 1.00 0.00 O ATOM 0 H SER A 6 -13.026 -13.542 4.125 1.00 0.00 H new ATOM 0 HA SER A 6 -14.825 -15.783 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.165 -13.474 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.668 -13.315 2.321 1.00 0.00 H new ATOM 0 HG SER A 6 -17.710 -14.400 2.531 1.00 0.00 H new ATOM 59 N GLY A 7 -13.295 -13.791 1.635 1.00 0.00 N ATOM 60 CA GLY A 7 -12.479 -13.774 0.433 1.00 0.00 C ATOM 61 C GLY A 7 -13.141 -12.943 -0.668 1.00 0.00 C ATOM 62 O GLY A 7 -13.803 -13.489 -1.550 1.00 0.00 O ATOM 0 H GLY A 7 -13.512 -12.870 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.496 -13.363 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.324 -14.794 0.080 1.00 0.00 H new ATOM 66 N GLU A 8 -12.940 -11.636 -0.581 1.00 0.00 N ATOM 67 CA GLU A 8 -13.509 -10.725 -1.559 1.00 0.00 C ATOM 68 C GLU A 8 -12.420 -10.210 -2.501 1.00 0.00 C ATOM 69 O GLU A 8 -12.718 -9.699 -3.580 1.00 0.00 O ATOM 70 CB GLU A 8 -14.232 -9.565 -0.871 1.00 0.00 C ATOM 71 CG GLU A 8 -13.261 -8.736 -0.028 1.00 0.00 C ATOM 72 CD GLU A 8 -13.600 -7.246 -0.108 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.787 -6.946 -0.360 1.00 0.00 O ATOM 74 OE2 GLU A 8 -12.663 -6.440 0.084 1.00 0.00 O ATOM 0 H GLU A 8 -12.391 -11.187 0.152 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.245 -11.270 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.702 -8.929 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.029 -9.953 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.301 -9.067 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.241 -8.900 -0.375 1.00 0.00 H new ATOM 81 N GLY A 9 -11.180 -10.362 -2.060 1.00 0.00 N ATOM 82 CA GLY A 9 -10.044 -9.919 -2.851 1.00 0.00 C ATOM 83 C GLY A 9 -9.252 -8.836 -2.115 1.00 0.00 C ATOM 84 O GLY A 9 -9.784 -8.163 -1.234 1.00 0.00 O ATOM 0 H GLY A 9 -10.937 -10.786 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.394 -10.767 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.392 -9.532 -3.809 1.00 0.00 H new ATOM 88 N TYR A 10 -7.992 -8.703 -2.504 1.00 0.00 N ATOM 89 CA TYR A 10 -7.122 -7.714 -1.891 1.00 0.00 C ATOM 90 C TYR A 10 -6.306 -6.971 -2.951 1.00 0.00 C ATOM 91 O TYR A 10 -6.499 -5.774 -3.163 1.00 0.00 O ATOM 92 CB TYR A 10 -6.167 -8.495 -0.986 1.00 0.00 C ATOM 93 CG TYR A 10 -6.824 -9.047 0.281 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.689 -8.256 1.011 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.552 -10.335 0.694 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.307 -8.776 2.203 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.170 -10.855 1.887 1.00 0.00 C ATOM 98 CZ TYR A 10 -8.017 -10.049 2.582 1.00 0.00 C ATOM 99 OH TYR A 10 -8.601 -10.540 3.709 1.00 0.00 O ATOM 0 H TYR A 10 -7.554 -9.263 -3.235 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.707 -6.975 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.741 -9.323 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.340 -7.845 -0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.902 -7.248 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.876 -10.954 0.123 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.986 -8.168 2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.966 -11.861 2.222 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.303 -11.462 3.857 1.00 0.00 H new ATOM 109 N GLU A 11 -5.410 -7.710 -3.589 1.00 0.00 N ATOM 110 CA GLU A 11 -4.565 -7.136 -4.622 1.00 0.00 C ATOM 111 C GLU A 11 -5.358 -6.134 -5.462 1.00 0.00 C ATOM 112 O GLU A 11 -4.911 -5.008 -5.678 1.00 0.00 O ATOM 113 CB GLU A 11 -3.956 -8.230 -5.503 1.00 0.00 C ATOM 114 CG GLU A 11 -3.123 -9.205 -4.669 1.00 0.00 C ATOM 115 CD GLU A 11 -3.950 -10.430 -4.270 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.756 -10.287 -3.326 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.756 -11.481 -4.918 1.00 0.00 O ATOM 0 H GLU A 11 -5.251 -8.702 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.745 -6.605 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.750 -8.772 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.330 -7.777 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.249 -9.521 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.756 -8.702 -3.774 1.00 0.00 H new ATOM 124 N GLN A 12 -6.522 -6.579 -5.913 1.00 0.00 N ATOM 125 CA GLN A 12 -7.382 -5.734 -6.725 1.00 0.00 C ATOM 126 C GLN A 12 -7.466 -4.329 -6.125 1.00 0.00 C ATOM 127 O GLN A 12 -7.000 -3.364 -6.728 1.00 0.00 O ATOM 128 CB GLN A 12 -8.774 -6.351 -6.873 1.00 0.00 C ATOM 129 CG GLN A 12 -9.574 -5.643 -7.968 1.00 0.00 C ATOM 130 CD GLN A 12 -11.000 -6.193 -8.048 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.368 -7.137 -7.369 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.780 -5.550 -8.913 1.00 0.00 N ATOM 0 H GLN A 12 -6.890 -7.513 -5.732 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.947 -5.657 -7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.682 -7.411 -7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.308 -6.283 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.604 -4.572 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.076 -5.773 -8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.408 -4.767 -9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.750 -5.840 -9.039 1.00 0.00 H new ATOM 141 N ASP A 13 -8.063 -4.260 -4.944 1.00 0.00 N ATOM 142 CA ASP A 13 -8.214 -2.989 -4.256 1.00 0.00 C ATOM 143 C ASP A 13 -6.849 -2.306 -4.150 1.00 0.00 C ATOM 144 O ASP A 13 -6.672 -1.185 -4.625 1.00 0.00 O ATOM 145 CB ASP A 13 -8.753 -3.191 -2.838 1.00 0.00 C ATOM 146 CG ASP A 13 -9.967 -2.332 -2.480 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.633 -1.866 -3.429 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.202 -2.160 -1.264 1.00 0.00 O ATOM 0 H ASP A 13 -8.448 -5.063 -4.446 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.915 -2.379 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.020 -4.240 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.954 -2.978 -2.128 1.00 0.00 H new ATOM 153 N PHE A 14 -5.918 -3.010 -3.523 1.00 0.00 N ATOM 154 CA PHE A 14 -4.574 -2.486 -3.348 1.00 0.00 C ATOM 155 C PHE A 14 -4.052 -1.871 -4.648 1.00 0.00 C ATOM 156 O PHE A 14 -3.794 -0.670 -4.712 1.00 0.00 O ATOM 157 CB PHE A 14 -3.680 -3.666 -2.962 1.00 0.00 C ATOM 158 CG PHE A 14 -2.212 -3.291 -2.748 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.350 -3.292 -3.800 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.769 -2.958 -1.506 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.012 -2.944 -3.602 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.407 -2.610 -1.308 1.00 0.00 C ATOM 163 CZ PHE A 14 0.455 -2.610 -2.360 1.00 0.00 C ATOM 0 H PHE A 14 -6.068 -3.939 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.575 -1.709 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.066 -4.117 -2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.740 -4.425 -3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.702 -3.558 -4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.453 -2.958 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.696 -2.944 -4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.055 -2.345 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.491 -2.345 -2.209 1.00 0.00 H new ATOM 173 N ALA A 15 -3.911 -2.723 -5.654 1.00 0.00 N ATOM 174 CA ALA A 15 -3.425 -2.278 -6.949 1.00 0.00 C ATOM 175 C ALA A 15 -4.118 -0.968 -7.327 1.00 0.00 C ATOM 176 O ALA A 15 -3.459 0.004 -7.693 1.00 0.00 O ATOM 177 CB ALA A 15 -3.654 -3.379 -7.986 1.00 0.00 C ATOM 0 H ALA A 15 -4.125 -3.719 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.353 -2.084 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.289 -3.045 -8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.117 -4.279 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.719 -3.599 -8.054 1.00 0.00 H new ATOM 183 N VAL A 16 -5.439 -0.984 -7.225 1.00 0.00 N ATOM 184 CA VAL A 16 -6.229 0.191 -7.552 1.00 0.00 C ATOM 185 C VAL A 16 -5.776 1.364 -6.680 1.00 0.00 C ATOM 186 O VAL A 16 -5.602 2.477 -7.172 1.00 0.00 O ATOM 187 CB VAL A 16 -7.719 -0.123 -7.405 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.550 1.162 -7.374 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.195 -1.057 -8.520 1.00 0.00 C ATOM 0 H VAL A 16 -5.982 -1.792 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.072 0.479 -8.591 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.861 -0.637 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.605 0.910 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.238 1.777 -6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.400 1.715 -8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.257 -1.264 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.032 -0.582 -9.487 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.635 -1.991 -8.476 1.00 0.00 H new ATOM 199 N LEU A 17 -5.599 1.073 -5.399 1.00 0.00 N ATOM 200 CA LEU A 17 -5.169 2.089 -4.454 1.00 0.00 C ATOM 201 C LEU A 17 -3.852 2.701 -4.933 1.00 0.00 C ATOM 202 O LEU A 17 -3.826 3.837 -5.405 1.00 0.00 O ATOM 203 CB LEU A 17 -5.100 1.510 -3.039 1.00 0.00 C ATOM 204 CG LEU A 17 -6.385 1.600 -2.214 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.256 0.811 -0.910 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.775 3.059 -1.964 1.00 0.00 C ATOM 0 H LEU A 17 -5.746 0.148 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.898 2.898 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.810 0.462 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.306 2.023 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.192 1.144 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.183 0.892 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.059 -0.237 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.433 1.215 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.692 3.095 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.975 3.561 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.936 3.561 -2.918 1.00 0.00 H new ATOM 218 N THR A 18 -2.789 1.922 -4.794 1.00 0.00 N ATOM 219 CA THR A 18 -1.471 2.373 -5.207 1.00 0.00 C ATOM 220 C THR A 18 -1.567 3.193 -6.495 1.00 0.00 C ATOM 221 O THR A 18 -0.911 4.224 -6.629 1.00 0.00 O ATOM 222 CB THR A 18 -0.569 1.144 -5.334 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.404 0.162 -5.941 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.208 0.539 -3.976 1.00 0.00 C ATOM 0 H THR A 18 -2.814 0.981 -4.401 1.00 0.00 H new ATOM 0 HA THR A 18 -1.031 3.041 -4.466 1.00 0.00 H new ATOM 0 HB THR A 18 0.344 1.417 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.898 -0.668 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.433 -0.330 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.319 1.281 -3.376 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.118 0.235 -3.460 1.00 0.00 H new ATOM 232 N ALA A 19 -2.391 2.703 -7.410 1.00 0.00 N ATOM 233 CA ALA A 19 -2.581 3.377 -8.683 1.00 0.00 C ATOM 234 C ALA A 19 -3.170 4.767 -8.436 1.00 0.00 C ATOM 235 O ALA A 19 -2.549 5.777 -8.764 1.00 0.00 O ATOM 236 CB ALA A 19 -3.469 2.520 -9.587 1.00 0.00 C ATOM 0 H ALA A 19 -2.934 1.847 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.627 3.509 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.612 3.026 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.992 1.554 -9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.437 2.369 -9.109 1.00 0.00 H new ATOM 242 N GLU A 20 -4.363 4.776 -7.859 1.00 0.00 N ATOM 243 CA GLU A 20 -5.043 6.025 -7.564 1.00 0.00 C ATOM 244 C GLU A 20 -4.130 6.949 -6.756 1.00 0.00 C ATOM 245 O GLU A 20 -4.237 8.171 -6.849 1.00 0.00 O ATOM 246 CB GLU A 20 -6.359 5.772 -6.825 1.00 0.00 C ATOM 247 CG GLU A 20 -7.485 6.633 -7.401 1.00 0.00 C ATOM 248 CD GLU A 20 -7.912 6.127 -8.780 1.00 0.00 C ATOM 249 OE1 GLU A 20 -8.354 4.959 -8.845 1.00 0.00 O ATOM 250 OE2 GLU A 20 -7.786 6.919 -9.739 1.00 0.00 O ATOM 0 H GLU A 20 -4.876 3.937 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.282 6.517 -8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.627 4.718 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.233 5.993 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.340 6.620 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.153 7.669 -7.476 1.00 0.00 H new ATOM 257 N ILE A 21 -3.251 6.330 -5.981 1.00 0.00 N ATOM 258 CA ILE A 21 -2.319 7.081 -5.158 1.00 0.00 C ATOM 259 C ILE A 21 -1.217 7.665 -6.045 1.00 0.00 C ATOM 260 O ILE A 21 -1.071 8.883 -6.139 1.00 0.00 O ATOM 261 CB ILE A 21 -1.792 6.211 -4.015 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.941 5.677 -3.158 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.759 6.970 -3.180 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.471 4.527 -2.265 1.00 0.00 C ATOM 0 H ILE A 21 -3.165 5.316 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.824 7.921 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.285 5.348 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.343 6.481 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.751 5.334 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.400 6.329 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.079 7.260 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.219 7.863 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.307 4.166 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.092 3.715 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.678 4.879 -1.605 1.00 0.00 H new ATOM 276 N THR A 22 -0.470 6.769 -6.672 1.00 0.00 N ATOM 277 CA THR A 22 0.614 7.179 -7.548 1.00 0.00 C ATOM 278 C THR A 22 0.207 8.412 -8.358 1.00 0.00 C ATOM 279 O THR A 22 0.994 9.345 -8.513 1.00 0.00 O ATOM 280 CB THR A 22 0.999 5.981 -8.418 1.00 0.00 C ATOM 281 OG1 THR A 22 2.423 5.978 -8.394 1.00 0.00 O ATOM 282 CG2 THR A 22 0.652 6.193 -9.893 1.00 0.00 C ATOM 0 H THR A 22 -0.594 5.760 -6.591 1.00 0.00 H new ATOM 0 HA THR A 22 1.492 7.479 -6.976 1.00 0.00 H new ATOM 0 HB THR A 22 0.493 5.088 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.758 5.231 -8.933 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.946 5.314 -10.466 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.422 6.351 -9.995 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.184 7.066 -10.270 1.00 0.00 H new ATOM 290 N SER A 23 -1.021 8.377 -8.853 1.00 0.00 N ATOM 291 CA SER A 23 -1.542 9.480 -9.643 1.00 0.00 C ATOM 292 C SER A 23 -1.661 10.735 -8.775 1.00 0.00 C ATOM 293 O SER A 23 -1.036 11.754 -9.064 1.00 0.00 O ATOM 294 CB SER A 23 -2.899 9.127 -10.254 1.00 0.00 C ATOM 295 OG SER A 23 -2.869 7.876 -10.936 1.00 0.00 O ATOM 0 H SER A 23 -1.671 7.602 -8.722 1.00 0.00 H new ATOM 0 HA SER A 23 -0.846 9.675 -10.459 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.653 9.093 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.199 9.911 -10.949 1.00 0.00 H new ATOM 0 HG SER A 23 -2.797 7.149 -10.283 1.00 0.00 H new ATOM 301 N LYS A 24 -2.466 10.618 -7.730 1.00 0.00 N ATOM 302 CA LYS A 24 -2.675 11.730 -6.818 1.00 0.00 C ATOM 303 C LYS A 24 -1.318 12.269 -6.359 1.00 0.00 C ATOM 304 O LYS A 24 -1.173 13.465 -6.112 1.00 0.00 O ATOM 305 CB LYS A 24 -3.593 11.315 -5.667 1.00 0.00 C ATOM 306 CG LYS A 24 -5.011 11.038 -6.170 1.00 0.00 C ATOM 307 CD LYS A 24 -5.795 10.194 -5.163 1.00 0.00 C ATOM 308 CE LYS A 24 -7.301 10.420 -5.313 1.00 0.00 C ATOM 309 NZ LYS A 24 -8.052 9.532 -4.397 1.00 0.00 N ATOM 0 H LYS A 24 -2.982 9.770 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.189 12.547 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.194 10.424 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.618 12.103 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.530 11.981 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.966 10.519 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.566 9.139 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.485 10.449 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.542 11.461 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.603 10.229 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.072 9.698 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.836 8.540 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.777 9.734 -3.415 1.00 0.00 H new ATOM 323 N ILE A 25 -0.360 11.359 -6.258 1.00 0.00 N ATOM 324 CA ILE A 25 0.980 11.728 -5.832 1.00 0.00 C ATOM 325 C ILE A 25 1.622 12.618 -6.898 1.00 0.00 C ATOM 326 O ILE A 25 2.429 13.490 -6.580 1.00 0.00 O ATOM 327 CB ILE A 25 1.799 10.479 -5.499 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.323 9.845 -4.191 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.295 10.797 -5.471 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.050 8.525 -3.926 1.00 0.00 C ATOM 0 H ILE A 25 -0.485 10.368 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 25 0.941 12.310 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 25 1.641 9.745 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.498 10.533 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.248 9.670 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.855 9.893 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.606 11.169 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.492 11.556 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.693 8.095 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.853 7.831 -4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.122 8.708 -3.856 1.00 0.00 H new ATOM 342 N ALA A 26 1.238 12.369 -8.141 1.00 0.00 N ATOM 343 CA ALA A 26 1.766 13.137 -9.256 1.00 0.00 C ATOM 344 C ALA A 26 0.917 14.394 -9.451 1.00 0.00 C ATOM 345 O ALA A 26 1.267 15.267 -10.244 1.00 0.00 O ATOM 346 CB ALA A 26 1.805 12.259 -10.508 1.00 0.00 C ATOM 0 H ALA A 26 0.567 11.646 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 26 2.787 13.458 -9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.201 12.835 -11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.445 11.395 -10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.797 11.920 -10.746 1.00 0.00 H new ATOM 352 N ARG A 27 -0.184 14.446 -8.716 1.00 0.00 N ATOM 353 CA ARG A 27 -1.086 15.582 -8.798 1.00 0.00 C ATOM 354 C ARG A 27 -0.842 16.540 -7.631 1.00 0.00 C ATOM 355 O ARG A 27 -1.243 17.702 -7.682 1.00 0.00 O ATOM 356 CB ARG A 27 -2.547 15.127 -8.778 1.00 0.00 C ATOM 357 CG ARG A 27 -3.194 15.299 -10.154 1.00 0.00 C ATOM 358 CD ARG A 27 -4.592 15.908 -10.031 1.00 0.00 C ATOM 359 NE ARG A 27 -5.475 15.366 -11.088 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.881 14.090 -11.146 1.00 0.00 C ATOM 361 NH1 ARG A 27 -5.485 13.217 -10.209 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.682 13.686 -12.141 1.00 0.00 N ATOM 0 H ARG A 27 -0.472 13.719 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.889 16.094 -9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.602 14.082 -8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.101 15.703 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.568 15.939 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.257 14.332 -10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.009 15.687 -9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.534 16.993 -10.115 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.794 16.003 -11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.875 13.524 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.794 12.246 -10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.983 14.350 -12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.991 12.715 -12.185 1.00 0.00 H new ATOM 376 N VAL A 28 -0.184 16.018 -6.606 1.00 0.00 N ATOM 377 CA VAL A 28 0.119 16.813 -5.428 1.00 0.00 C ATOM 378 C VAL A 28 0.862 18.081 -5.851 1.00 0.00 C ATOM 379 O VAL A 28 0.474 19.187 -5.477 1.00 0.00 O ATOM 380 CB VAL A 28 0.900 15.972 -4.416 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.069 16.766 -3.830 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.020 15.452 -3.309 1.00 0.00 C ATOM 0 H VAL A 28 0.148 15.054 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.800 17.125 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 28 1.311 15.110 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.608 16.145 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.744 17.064 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.689 17.655 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.560 14.857 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.473 16.295 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.803 14.833 -3.747 1.00 0.00 H new ATOM 392 N PRO A 29 1.945 17.874 -6.647 1.00 0.00 N ATOM 393 CA PRO A 29 2.746 18.988 -7.126 1.00 0.00 C ATOM 394 C PRO A 29 2.025 19.742 -8.245 1.00 0.00 C ATOM 395 O PRO A 29 2.553 20.711 -8.787 1.00 0.00 O ATOM 396 CB PRO A 29 4.056 18.365 -7.578 1.00 0.00 C ATOM 397 CG PRO A 29 3.769 16.885 -7.771 1.00 0.00 C ATOM 398 CD PRO A 29 2.434 16.579 -7.111 1.00 0.00 C ATOM 0 HA PRO A 29 2.922 19.740 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.405 18.819 -8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.838 18.517 -6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.736 16.638 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.561 16.282 -7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.739 16.123 -7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.553 15.880 -6.283 1.00 0.00 H new ATOM 406 N ARG A 30 0.828 19.268 -8.558 1.00 0.00 N ATOM 407 CA ARG A 30 0.028 19.885 -9.602 1.00 0.00 C ATOM 408 C ARG A 30 -1.303 20.378 -9.031 1.00 0.00 C ATOM 409 O ARG A 30 -2.146 20.890 -9.765 1.00 0.00 O ATOM 410 CB ARG A 30 -0.248 18.899 -10.740 1.00 0.00 C ATOM 411 CG ARG A 30 0.990 18.718 -11.621 1.00 0.00 C ATOM 412 CD ARG A 30 0.703 17.760 -12.779 1.00 0.00 C ATOM 413 NE ARG A 30 1.975 17.256 -13.345 1.00 0.00 N ATOM 414 CZ ARG A 30 2.054 16.448 -14.411 1.00 0.00 C ATOM 415 NH1 ARG A 30 0.937 16.046 -15.032 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.251 16.040 -14.855 1.00 0.00 N ATOM 0 H ARG A 30 0.393 18.463 -8.107 1.00 0.00 H new ATOM 0 HA ARG A 30 0.593 20.730 -9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.549 17.936 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.080 19.260 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.306 19.685 -12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.815 18.333 -11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.095 16.926 -12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.129 18.272 -13.552 1.00 0.00 H new ATOM 0 HE ARG A 30 2.845 17.542 -12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.026 16.355 -14.693 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.998 15.431 -15.843 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.102 16.345 -14.381 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.311 15.425 -15.666 1.00 0.00 H new ATOM 430 N LEU A 31 -1.449 20.207 -7.725 1.00 0.00 N ATOM 431 CA LEU A 31 -2.663 20.629 -7.046 1.00 0.00 C ATOM 432 C LEU A 31 -2.389 21.925 -6.280 1.00 0.00 C ATOM 433 O LEU A 31 -1.239 22.243 -5.982 1.00 0.00 O ATOM 434 CB LEU A 31 -3.206 19.499 -6.170 1.00 0.00 C ATOM 435 CG LEU A 31 -3.978 18.397 -6.898 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.132 17.159 -6.012 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.327 18.913 -7.402 1.00 0.00 C ATOM 0 H LEU A 31 -0.747 19.782 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.449 20.846 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.369 19.041 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.860 19.934 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.402 18.097 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.684 16.391 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.146 16.777 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.675 17.426 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.855 18.110 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.924 19.257 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.165 19.740 -8.093 1.00 0.00 H new ATOM 449 N PRO A 32 -3.494 22.657 -5.976 1.00 0.00 N ATOM 450 CA PRO A 32 -3.385 23.911 -5.251 1.00 0.00 C ATOM 451 C PRO A 32 -3.099 23.664 -3.769 1.00 0.00 C ATOM 452 O PRO A 32 -3.157 22.527 -3.303 1.00 0.00 O ATOM 453 CB PRO A 32 -4.708 24.621 -5.490 1.00 0.00 C ATOM 454 CG PRO A 32 -5.680 23.546 -5.949 1.00 0.00 C ATOM 455 CD PRO A 32 -4.872 22.311 -6.314 1.00 0.00 C ATOM 0 HA PRO A 32 -2.552 24.524 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.062 25.105 -4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.602 25.400 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.394 23.315 -5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.255 23.893 -6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.209 21.438 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.972 22.071 -7.373 1.00 0.00 H new ATOM 463 N PRO A 33 -2.788 24.776 -3.050 1.00 0.00 N ATOM 464 CA PRO A 33 -2.493 24.691 -1.630 1.00 0.00 C ATOM 465 C PRO A 33 -3.771 24.480 -0.815 1.00 0.00 C ATOM 466 O PRO A 33 -3.728 24.432 0.413 1.00 0.00 O ATOM 467 CB PRO A 33 -1.784 25.994 -1.296 1.00 0.00 C ATOM 468 CG PRO A 33 -2.121 26.952 -2.427 1.00 0.00 C ATOM 469 CD PRO A 33 -2.710 26.138 -3.568 1.00 0.00 C ATOM 0 HA PRO A 33 -1.864 23.836 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.121 26.388 -0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.707 25.844 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.832 27.706 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.228 27.482 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.694 26.510 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.081 26.188 -4.456 1.00 0.00 H new ATOM 477 N ASP A 34 -4.878 24.359 -1.533 1.00 0.00 N ATOM 478 CA ASP A 34 -6.166 24.154 -0.892 1.00 0.00 C ATOM 479 C ASP A 34 -6.506 22.663 -0.905 1.00 0.00 C ATOM 480 O ASP A 34 -6.871 22.096 0.124 1.00 0.00 O ATOM 481 CB ASP A 34 -7.276 24.899 -1.637 1.00 0.00 C ATOM 482 CG ASP A 34 -7.531 26.328 -1.156 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.697 27.197 -1.491 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.555 26.520 -0.465 1.00 0.00 O ATOM 0 H ASP A 34 -4.910 24.399 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.099 24.532 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.025 24.928 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.201 24.330 -1.544 1.00 0.00 H new ATOM 489 N GLU A 35 -6.374 22.069 -2.082 1.00 0.00 N ATOM 490 CA GLU A 35 -6.663 20.654 -2.243 1.00 0.00 C ATOM 491 C GLU A 35 -5.434 19.817 -1.881 1.00 0.00 C ATOM 492 O GLU A 35 -5.564 18.695 -1.394 1.00 0.00 O ATOM 493 CB GLU A 35 -7.134 20.348 -3.666 1.00 0.00 C ATOM 494 CG GLU A 35 -8.393 21.147 -4.010 1.00 0.00 C ATOM 495 CD GLU A 35 -9.654 20.317 -3.764 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.947 20.069 -2.574 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.297 19.948 -4.770 1.00 0.00 O ATOM 0 H GLU A 35 -6.071 22.542 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.473 20.389 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.342 20.588 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.337 19.282 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.428 22.055 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.356 21.458 -5.054 1.00 0.00 H new ATOM 504 N LYS A 36 -4.269 20.395 -2.133 1.00 0.00 N ATOM 505 CA LYS A 36 -3.018 19.716 -1.840 1.00 0.00 C ATOM 506 C LYS A 36 -2.997 19.309 -0.365 1.00 0.00 C ATOM 507 O LYS A 36 -2.874 18.128 -0.045 1.00 0.00 O ATOM 508 CB LYS A 36 -1.828 20.584 -2.255 1.00 0.00 C ATOM 509 CG LYS A 36 -0.504 19.917 -1.874 1.00 0.00 C ATOM 510 CD LYS A 36 0.684 20.680 -2.464 1.00 0.00 C ATOM 511 CE LYS A 36 1.864 20.693 -1.491 1.00 0.00 C ATOM 512 NZ LYS A 36 1.965 22.006 -0.815 1.00 0.00 N ATOM 0 H LYS A 36 -4.165 21.326 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.935 18.800 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.856 20.756 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.900 21.560 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.412 19.877 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.494 18.888 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.988 20.218 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.386 21.703 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.740 19.904 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.788 20.482 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.771 21.997 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.105 22.752 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.089 22.192 -0.286 1.00 0.00 H new ATOM 526 N LYS A 37 -3.120 20.310 0.494 1.00 0.00 N ATOM 527 CA LYS A 37 -3.117 20.071 1.927 1.00 0.00 C ATOM 528 C LYS A 37 -3.905 18.795 2.229 1.00 0.00 C ATOM 529 O LYS A 37 -3.401 17.891 2.894 1.00 0.00 O ATOM 530 CB LYS A 37 -3.630 21.302 2.677 1.00 0.00 C ATOM 531 CG LYS A 37 -2.636 21.741 3.755 1.00 0.00 C ATOM 532 CD LYS A 37 -1.895 23.011 3.332 1.00 0.00 C ATOM 533 CE LYS A 37 -0.610 22.671 2.575 1.00 0.00 C ATOM 534 NZ LYS A 37 0.286 23.847 2.520 1.00 0.00 N ATOM 0 H LYS A 37 -3.222 21.289 0.225 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.100 19.910 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.794 22.119 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.593 21.078 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.165 21.919 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.919 20.942 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.542 23.621 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.655 23.607 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.101 21.841 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.852 22.344 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.153 23.599 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.196 24.628 2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.532 24.142 3.487 1.00 0.00 H new ATOM 548 N GLN A 38 -5.130 18.761 1.724 1.00 0.00 N ATOM 549 CA GLN A 38 -5.993 17.610 1.931 1.00 0.00 C ATOM 550 C GLN A 38 -5.453 16.398 1.169 1.00 0.00 C ATOM 551 O GLN A 38 -5.364 15.303 1.722 1.00 0.00 O ATOM 552 CB GLN A 38 -7.432 17.923 1.516 1.00 0.00 C ATOM 553 CG GLN A 38 -7.952 19.170 2.233 1.00 0.00 C ATOM 554 CD GLN A 38 -8.139 18.904 3.728 1.00 0.00 C ATOM 555 OE1 GLN A 38 -8.977 18.122 4.146 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.314 19.597 4.509 1.00 0.00 N ATOM 0 H GLN A 38 -5.545 19.512 1.172 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.000 17.372 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.478 18.074 0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.074 17.073 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.253 19.994 2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.901 19.478 1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.635 20.235 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.361 19.490 5.522 1.00 0.00 H new ATOM 565 N MET A 39 -5.108 16.635 -0.088 1.00 0.00 N ATOM 566 CA MET A 39 -4.579 15.576 -0.931 1.00 0.00 C ATOM 567 C MET A 39 -3.395 14.879 -0.258 1.00 0.00 C ATOM 568 O MET A 39 -3.417 13.666 -0.056 1.00 0.00 O ATOM 569 CB MET A 39 -4.132 16.165 -2.270 1.00 0.00 C ATOM 570 CG MET A 39 -3.607 15.071 -3.202 1.00 0.00 C ATOM 571 SD MET A 39 -4.811 13.761 -3.344 1.00 0.00 S ATOM 572 CE MET A 39 -5.706 14.317 -4.785 1.00 0.00 C ATOM 0 H MET A 39 -5.184 17.545 -0.543 1.00 0.00 H new ATOM 0 HA MET A 39 -5.365 14.839 -1.093 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.969 16.680 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.354 16.909 -2.102 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.396 15.490 -4.186 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.668 14.673 -2.817 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.585 13.689 -4.932 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.018 15.352 -4.643 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.062 14.250 -5.662 1.00 0.00 H new ATOM 582 N VAL A 40 -2.389 15.677 0.071 1.00 0.00 N ATOM 583 CA VAL A 40 -1.198 15.152 0.717 1.00 0.00 C ATOM 584 C VAL A 40 -1.610 14.287 1.910 1.00 0.00 C ATOM 585 O VAL A 40 -0.853 13.418 2.341 1.00 0.00 O ATOM 586 CB VAL A 40 -0.264 16.300 1.105 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.811 15.824 2.084 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.366 16.936 -0.136 1.00 0.00 C ATOM 0 H VAL A 40 -2.375 16.683 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.640 14.515 0.031 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.859 17.063 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.462 16.659 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.336 15.439 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.402 15.034 1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.025 17.749 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.941 16.185 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.419 17.327 -0.783 1.00 0.00 H new ATOM 598 N ALA A 41 -2.808 14.554 2.409 1.00 0.00 N ATOM 599 CA ALA A 41 -3.328 13.811 3.544 1.00 0.00 C ATOM 600 C ALA A 41 -4.167 12.636 3.037 1.00 0.00 C ATOM 601 O ALA A 41 -4.187 11.572 3.653 1.00 0.00 O ATOM 602 CB ALA A 41 -4.129 14.752 4.446 1.00 0.00 C ATOM 0 H ALA A 41 -3.433 15.274 2.048 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.513 13.402 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.519 14.195 5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.481 15.553 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.958 15.179 3.881 1.00 0.00 H new ATOM 608 N ASN A 42 -4.839 12.869 1.919 1.00 0.00 N ATOM 609 CA ASN A 42 -5.677 11.843 1.322 1.00 0.00 C ATOM 610 C ASN A 42 -4.821 10.617 0.995 1.00 0.00 C ATOM 611 O ASN A 42 -5.229 9.485 1.250 1.00 0.00 O ATOM 612 CB ASN A 42 -6.310 12.337 0.020 1.00 0.00 C ATOM 613 CG ASN A 42 -7.744 11.822 -0.123 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.641 12.192 0.616 1.00 0.00 O ATOM 615 ND2 ASN A 42 -7.908 10.949 -1.113 1.00 0.00 N ATOM 0 H ASN A 42 -4.820 13.753 1.411 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.464 11.595 2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.308 13.427 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.713 12.002 -0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.828 10.546 -1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.114 10.682 -1.695 1.00 0.00 H new ATOM 622 N VAL A 43 -3.650 10.885 0.437 1.00 0.00 N ATOM 623 CA VAL A 43 -2.733 9.818 0.073 1.00 0.00 C ATOM 624 C VAL A 43 -2.255 9.108 1.341 1.00 0.00 C ATOM 625 O VAL A 43 -2.033 7.898 1.333 1.00 0.00 O ATOM 626 CB VAL A 43 -1.584 10.379 -0.768 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.422 9.387 -0.839 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.066 10.762 -2.169 1.00 0.00 C ATOM 0 H VAL A 43 -3.315 11.825 0.228 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.237 9.075 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.222 11.284 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.381 9.810 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.053 9.186 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.765 8.457 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.230 11.158 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.467 9.881 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.845 11.521 -2.091 1.00 0.00 H new ATOM 638 N GLU A 44 -2.109 9.891 2.400 1.00 0.00 N ATOM 639 CA GLU A 44 -1.661 9.352 3.673 1.00 0.00 C ATOM 640 C GLU A 44 -2.656 8.311 4.189 1.00 0.00 C ATOM 641 O GLU A 44 -2.310 7.476 5.023 1.00 0.00 O ATOM 642 CB GLU A 44 -1.455 10.469 4.699 1.00 0.00 C ATOM 643 CG GLU A 44 -0.210 11.294 4.368 1.00 0.00 C ATOM 644 CD GLU A 44 0.800 11.248 5.516 1.00 0.00 C ATOM 645 OE1 GLU A 44 1.638 10.321 5.497 1.00 0.00 O ATOM 646 OE2 GLU A 44 0.711 12.141 6.386 1.00 0.00 O ATOM 0 H GLU A 44 -2.293 10.894 2.403 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.700 8.862 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.331 11.117 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.356 10.039 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.252 10.913 3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.496 12.327 4.172 1.00 0.00 H new ATOM 653 N LYS A 45 -3.873 8.394 3.670 1.00 0.00 N ATOM 654 CA LYS A 45 -4.920 7.469 4.068 1.00 0.00 C ATOM 655 C LYS A 45 -4.863 6.226 3.177 1.00 0.00 C ATOM 656 O LYS A 45 -4.631 5.120 3.662 1.00 0.00 O ATOM 657 CB LYS A 45 -6.282 8.167 4.062 1.00 0.00 C ATOM 658 CG LYS A 45 -7.113 7.757 5.280 1.00 0.00 C ATOM 659 CD LYS A 45 -8.358 6.975 4.856 1.00 0.00 C ATOM 660 CE LYS A 45 -9.166 6.528 6.075 1.00 0.00 C ATOM 661 NZ LYS A 45 -8.410 5.526 6.859 1.00 0.00 N ATOM 0 H LYS A 45 -4.157 9.087 2.978 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.763 7.134 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.141 9.248 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.820 7.915 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.507 7.147 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.409 8.645 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.980 7.596 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.063 6.104 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.397 7.390 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.117 6.104 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.066 4.812 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.708 5.063 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.923 5.998 7.648 1.00 0.00 H new ATOM 675 N GLN A 46 -5.077 6.451 1.889 1.00 0.00 N ATOM 676 CA GLN A 46 -5.053 5.363 0.925 1.00 0.00 C ATOM 677 C GLN A 46 -3.770 4.545 1.081 1.00 0.00 C ATOM 678 O GLN A 46 -3.756 3.346 0.805 1.00 0.00 O ATOM 679 CB GLN A 46 -5.195 5.892 -0.503 1.00 0.00 C ATOM 680 CG GLN A 46 -6.658 6.199 -0.831 1.00 0.00 C ATOM 681 CD GLN A 46 -7.368 6.831 0.368 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.307 8.027 0.598 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.042 5.963 1.117 1.00 0.00 N ATOM 0 H GLN A 46 -5.268 7.370 1.490 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.904 4.711 1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.595 6.794 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.807 5.156 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.709 6.874 -1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.170 5.281 -1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.052 4.974 0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.549 6.286 1.941 1.00 0.00 H new ATOM 692 N LEU A 47 -2.722 5.225 1.524 1.00 0.00 N ATOM 693 CA LEU A 47 -1.437 4.576 1.720 1.00 0.00 C ATOM 694 C LEU A 47 -1.527 3.627 2.917 1.00 0.00 C ATOM 695 O LEU A 47 -1.391 2.414 2.764 1.00 0.00 O ATOM 696 CB LEU A 47 -0.324 5.618 1.843 1.00 0.00 C ATOM 697 CG LEU A 47 0.287 6.107 0.528 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.236 7.283 0.767 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.972 4.960 -0.218 1.00 0.00 C ATOM 0 H LEU A 47 -2.737 6.219 1.753 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.180 3.970 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.719 6.481 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.473 5.198 2.457 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.520 6.470 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.656 7.611 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.687 8.106 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.042 6.971 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.398 5.334 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.766 4.545 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.241 4.183 -0.440 1.00 0.00 H new ATOM 711 N GLU A 48 -1.755 4.216 4.082 1.00 0.00 N ATOM 712 CA GLU A 48 -1.865 3.439 5.304 1.00 0.00 C ATOM 713 C GLU A 48 -2.912 2.335 5.140 1.00 0.00 C ATOM 714 O GLU A 48 -2.771 1.252 5.704 1.00 0.00 O ATOM 715 CB GLU A 48 -2.197 4.337 6.497 1.00 0.00 C ATOM 716 CG GLU A 48 -3.661 4.779 6.460 1.00 0.00 C ATOM 717 CD GLU A 48 -4.079 5.407 7.791 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.501 4.632 8.676 1.00 0.00 O ATOM 719 OE2 GLU A 48 -3.967 6.648 7.893 1.00 0.00 O ATOM 0 H GLU A 48 -1.866 5.222 4.205 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.901 2.971 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.998 3.802 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.549 5.213 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.807 5.497 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.298 3.922 6.243 1.00 0.00 H new ATOM 726 N GLU A 49 -3.939 2.650 4.364 1.00 0.00 N ATOM 727 CA GLU A 49 -5.010 1.699 4.118 1.00 0.00 C ATOM 728 C GLU A 49 -4.481 0.496 3.334 1.00 0.00 C ATOM 729 O GLU A 49 -4.990 -0.615 3.478 1.00 0.00 O ATOM 730 CB GLU A 49 -6.175 2.363 3.383 1.00 0.00 C ATOM 731 CG GLU A 49 -6.830 3.439 4.252 1.00 0.00 C ATOM 732 CD GLU A 49 -8.320 3.153 4.449 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.623 2.270 5.280 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.122 3.825 3.765 1.00 0.00 O ATOM 0 H GLU A 49 -4.052 3.550 3.898 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.384 1.346 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.817 2.808 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.915 1.610 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.333 3.481 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.702 4.416 3.786 1.00 0.00 H new ATOM 741 N ALA A 50 -3.468 0.758 2.523 1.00 0.00 N ATOM 742 CA ALA A 50 -2.865 -0.290 1.716 1.00 0.00 C ATOM 743 C ALA A 50 -1.818 -1.031 2.550 1.00 0.00 C ATOM 744 O ALA A 50 -1.550 -2.208 2.312 1.00 0.00 O ATOM 745 CB ALA A 50 -2.271 0.322 0.445 1.00 0.00 C ATOM 0 H ALA A 50 -3.049 1.681 2.407 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.616 -1.017 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.819 -0.464 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.060 0.811 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.511 1.055 0.715 1.00 0.00 H new ATOM 751 N ARG A 51 -1.256 -0.313 3.510 1.00 0.00 N ATOM 752 CA ARG A 51 -0.244 -0.888 4.381 1.00 0.00 C ATOM 753 C ARG A 51 -0.790 -2.137 5.075 1.00 0.00 C ATOM 754 O ARG A 51 -0.070 -3.119 5.250 1.00 0.00 O ATOM 755 CB ARG A 51 0.208 0.119 5.440 1.00 0.00 C ATOM 756 CG ARG A 51 1.293 1.045 4.888 1.00 0.00 C ATOM 757 CD ARG A 51 2.453 1.183 5.877 1.00 0.00 C ATOM 758 NE ARG A 51 3.548 0.260 5.504 1.00 0.00 N ATOM 759 CZ ARG A 51 4.556 -0.078 6.320 1.00 0.00 C ATOM 760 NH1 ARG A 51 4.614 0.429 7.559 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.506 -0.923 5.897 1.00 0.00 N ATOM 0 H ARG A 51 -1.482 0.662 3.705 1.00 0.00 H new ATOM 0 HA ARG A 51 0.613 -1.156 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.645 0.710 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.587 -0.412 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.663 0.653 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.867 2.027 4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.818 2.210 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.109 0.963 6.887 1.00 0.00 H new ATOM 0 HE ARG A 51 3.535 -0.144 4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.891 1.072 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.381 0.172 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.462 -1.309 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.273 -1.180 6.518 1.00 0.00 H new ATOM 775 N GLU A 52 -2.058 -2.060 5.451 1.00 0.00 N ATOM 776 CA GLU A 52 -2.709 -3.172 6.122 1.00 0.00 C ATOM 777 C GLU A 52 -2.901 -4.339 5.152 1.00 0.00 C ATOM 778 O GLU A 52 -2.861 -5.501 5.556 1.00 0.00 O ATOM 779 CB GLU A 52 -4.045 -2.740 6.731 1.00 0.00 C ATOM 780 CG GLU A 52 -5.144 -2.698 5.667 1.00 0.00 C ATOM 781 CD GLU A 52 -5.953 -3.996 5.663 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.920 -4.065 6.453 1.00 0.00 O ATOM 783 OE2 GLU A 52 -5.587 -4.891 4.871 1.00 0.00 O ATOM 0 H GLU A 52 -2.652 -1.244 5.304 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.066 -3.504 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.328 -3.432 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.939 -1.756 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.806 -1.853 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.698 -2.540 4.685 1.00 0.00 H new ATOM 790 N LEU A 53 -3.104 -3.990 3.890 1.00 0.00 N ATOM 791 CA LEU A 53 -3.302 -4.994 2.858 1.00 0.00 C ATOM 792 C LEU A 53 -2.085 -5.921 2.814 1.00 0.00 C ATOM 793 O LEU A 53 -2.209 -7.125 3.034 1.00 0.00 O ATOM 794 CB LEU A 53 -3.617 -4.329 1.517 1.00 0.00 C ATOM 795 CG LEU A 53 -5.083 -4.362 1.080 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.465 -3.077 0.343 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.380 -5.611 0.247 1.00 0.00 C ATOM 0 H LEU A 53 -3.136 -3.026 3.559 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.168 -5.614 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.296 -3.288 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.017 -4.811 0.745 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.704 -4.417 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.512 -3.127 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.316 -2.222 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.839 -2.966 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.429 -5.609 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.751 -5.613 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.173 -6.502 0.840 1.00 0.00 H new ATOM 809 N LEU A 54 -0.937 -5.324 2.528 1.00 0.00 N ATOM 810 CA LEU A 54 0.301 -6.081 2.452 1.00 0.00 C ATOM 811 C LEU A 54 0.372 -7.055 3.630 1.00 0.00 C ATOM 812 O LEU A 54 0.860 -8.174 3.486 1.00 0.00 O ATOM 813 CB LEU A 54 1.502 -5.136 2.362 1.00 0.00 C ATOM 814 CG LEU A 54 1.594 -4.288 1.092 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.053 -4.011 0.723 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.826 -4.940 -0.059 1.00 0.00 C ATOM 0 H LEU A 54 -0.838 -4.325 2.346 1.00 0.00 H new ATOM 0 HA LEU A 54 0.326 -6.680 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.477 -4.466 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.413 -5.729 2.446 1.00 0.00 H new ATOM 0 HG LEU A 54 1.123 -3.325 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.091 -3.407 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.539 -3.474 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.570 -4.955 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.907 -4.317 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.246 -5.924 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.223 -5.044 0.217 1.00 0.00 H new ATOM 828 N GLU A 55 -0.123 -6.592 4.769 1.00 0.00 N ATOM 829 CA GLU A 55 -0.122 -7.409 5.971 1.00 0.00 C ATOM 830 C GLU A 55 -0.847 -8.731 5.715 1.00 0.00 C ATOM 831 O GLU A 55 -0.211 -9.772 5.557 1.00 0.00 O ATOM 832 CB GLU A 55 -0.752 -6.656 7.145 1.00 0.00 C ATOM 833 CG GLU A 55 0.105 -6.790 8.405 1.00 0.00 C ATOM 834 CD GLU A 55 -0.627 -7.590 9.485 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.511 -8.834 9.446 1.00 0.00 O ATOM 836 OE2 GLU A 55 -1.286 -6.939 10.324 1.00 0.00 O ATOM 0 H GLU A 55 -0.527 -5.663 4.885 1.00 0.00 H new ATOM 0 HA GLU A 55 0.912 -7.630 6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.865 -5.603 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.752 -7.046 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.046 -7.282 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.354 -5.800 8.787 1.00 0.00 H new ATOM 843 N GLN A 56 -2.169 -8.648 5.682 1.00 0.00 N ATOM 844 CA GLN A 56 -2.988 -9.825 5.447 1.00 0.00 C ATOM 845 C GLN A 56 -2.471 -10.598 4.232 1.00 0.00 C ATOM 846 O GLN A 56 -2.352 -11.821 4.274 1.00 0.00 O ATOM 847 CB GLN A 56 -4.459 -9.444 5.270 1.00 0.00 C ATOM 848 CG GLN A 56 -4.994 -8.732 6.514 1.00 0.00 C ATOM 849 CD GLN A 56 -6.418 -9.189 6.838 1.00 0.00 C ATOM 850 OE1 GLN A 56 -7.377 -8.442 6.728 1.00 0.00 O ATOM 851 NE2 GLN A 56 -6.502 -10.453 7.241 1.00 0.00 N ATOM 0 H GLN A 56 -2.694 -7.783 5.814 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.918 -10.472 6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.569 -8.796 4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.050 -10.339 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.341 -8.935 7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.982 -7.654 6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.659 -11.023 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.409 -10.853 7.480 1.00 0.00 H new ATOM 860 N MET A 57 -2.179 -9.851 3.177 1.00 0.00 N ATOM 861 CA MET A 57 -1.678 -10.450 1.951 1.00 0.00 C ATOM 862 C MET A 57 -0.453 -11.323 2.229 1.00 0.00 C ATOM 863 O MET A 57 -0.350 -12.436 1.715 1.00 0.00 O ATOM 864 CB MET A 57 -1.305 -9.347 0.959 1.00 0.00 C ATOM 865 CG MET A 57 -2.556 -8.656 0.411 1.00 0.00 C ATOM 866 SD MET A 57 -2.285 -8.156 -1.281 1.00 0.00 S ATOM 867 CE MET A 57 -1.618 -6.521 -1.017 1.00 0.00 C ATOM 0 H MET A 57 -2.280 -8.836 3.146 1.00 0.00 H new ATOM 0 HA MET A 57 -2.462 -11.080 1.529 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.665 -8.613 1.449 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.730 -9.772 0.136 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.409 -9.332 0.467 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.798 -7.786 1.022 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.375 -5.776 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.324 -6.412 0.027 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.747 -6.376 -1.656 1.00 0.00 H new ATOM 877 N ASP A 58 0.445 -10.785 3.041 1.00 0.00 N ATOM 878 CA ASP A 58 1.660 -11.502 3.393 1.00 0.00 C ATOM 879 C ASP A 58 1.340 -12.540 4.470 1.00 0.00 C ATOM 880 O ASP A 58 1.826 -13.668 4.413 1.00 0.00 O ATOM 881 CB ASP A 58 2.718 -10.549 3.954 1.00 0.00 C ATOM 882 CG ASP A 58 4.162 -11.038 3.823 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.330 -12.248 3.557 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.065 -10.191 3.992 1.00 0.00 O ATOM 0 H ASP A 58 0.356 -9.862 3.465 1.00 0.00 H new ATOM 0 HA ASP A 58 2.045 -11.978 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.628 -9.589 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.504 -10.372 5.008 1.00 0.00 H new ATOM 889 N LEU A 59 0.524 -12.122 5.427 1.00 0.00 N ATOM 890 CA LEU A 59 0.134 -13.002 6.515 1.00 0.00 C ATOM 891 C LEU A 59 -0.766 -14.112 5.970 1.00 0.00 C ATOM 892 O LEU A 59 -1.083 -15.064 6.681 1.00 0.00 O ATOM 893 CB LEU A 59 -0.501 -12.198 7.652 1.00 0.00 C ATOM 894 CG LEU A 59 -2.016 -12.342 7.811 1.00 0.00 C ATOM 895 CD1 LEU A 59 -2.375 -13.687 8.447 1.00 0.00 C ATOM 896 CD2 LEU A 59 -2.600 -11.164 8.593 1.00 0.00 C ATOM 0 H LEU A 59 0.122 -11.185 5.471 1.00 0.00 H new ATOM 0 HA LEU A 59 1.010 -13.485 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.028 -12.494 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.270 -11.144 7.498 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.467 -12.324 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.458 -13.764 8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.011 -14.497 7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.912 -13.759 9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.678 -11.291 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.147 -11.125 9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.391 -10.235 8.062 1.00 0.00 H new ATOM 908 N GLU A 60 -1.152 -13.953 4.712 1.00 0.00 N ATOM 909 CA GLU A 60 -2.009 -14.931 4.063 1.00 0.00 C ATOM 910 C GLU A 60 -1.184 -15.834 3.145 1.00 0.00 C ATOM 911 O GLU A 60 -1.235 -17.058 3.263 1.00 0.00 O ATOM 912 CB GLU A 60 -3.135 -14.244 3.289 1.00 0.00 C ATOM 913 CG GLU A 60 -4.180 -13.659 4.242 1.00 0.00 C ATOM 914 CD GLU A 60 -5.425 -14.546 4.300 1.00 0.00 C ATOM 915 OE1 GLU A 60 -6.179 -14.532 3.303 1.00 0.00 O ATOM 916 OE2 GLU A 60 -5.596 -15.217 5.341 1.00 0.00 O ATOM 0 H GLU A 60 -0.887 -13.162 4.125 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.467 -15.551 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.721 -13.451 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.610 -14.961 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.753 -13.560 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.457 -12.657 3.913 1.00 0.00 H new ATOM 923 N VAL A 61 -0.441 -15.197 2.252 1.00 0.00 N ATOM 924 CA VAL A 61 0.394 -15.927 1.314 1.00 0.00 C ATOM 925 C VAL A 61 1.111 -17.059 2.052 1.00 0.00 C ATOM 926 O VAL A 61 1.443 -18.082 1.455 1.00 0.00 O ATOM 927 CB VAL A 61 1.356 -14.967 0.612 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.757 -15.574 0.508 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.826 -14.571 -0.767 1.00 0.00 C ATOM 0 H VAL A 61 -0.400 -14.182 2.158 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.216 -16.382 0.533 1.00 0.00 H new ATOM 0 HB VAL A 61 1.427 -14.062 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.421 -14.871 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.138 -15.782 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.710 -16.501 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.529 -13.888 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.712 -15.463 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.141 -14.079 -0.658 1.00 0.00 H new ATOM 939 N ARG A 62 1.330 -16.838 3.340 1.00 0.00 N ATOM 940 CA ARG A 62 2.002 -17.827 4.166 1.00 0.00 C ATOM 941 C ARG A 62 1.273 -19.169 4.086 1.00 0.00 C ATOM 942 O ARG A 62 1.907 -20.220 3.994 1.00 0.00 O ATOM 943 CB ARG A 62 2.064 -17.374 5.626 1.00 0.00 C ATOM 944 CG ARG A 62 3.493 -16.998 6.024 1.00 0.00 C ATOM 945 CD ARG A 62 3.503 -15.771 6.937 1.00 0.00 C ATOM 946 NE ARG A 62 4.235 -16.077 8.187 1.00 0.00 N ATOM 947 CZ ARG A 62 4.554 -15.162 9.113 1.00 0.00 C ATOM 948 NH1 ARG A 62 4.207 -13.880 8.937 1.00 0.00 N ATOM 949 NH2 ARG A 62 5.220 -15.531 10.216 1.00 0.00 N ATOM 0 H ARG A 62 1.054 -15.988 3.832 1.00 0.00 H new ATOM 0 HA ARG A 62 3.018 -17.939 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.405 -16.519 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.700 -18.172 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.966 -17.838 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.082 -16.795 5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.974 -14.931 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.481 -15.471 7.168 1.00 0.00 H new ATOM 0 HE ARG A 62 4.514 -17.044 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.700 -13.600 8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.450 -13.184 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.484 -16.507 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.463 -14.836 10.921 1.00 0.00 H new ATOM 963 N GLU A 63 -0.049 -19.092 4.123 1.00 0.00 N ATOM 964 CA GLU A 63 -0.871 -20.288 4.055 1.00 0.00 C ATOM 965 C GLU A 63 -0.716 -20.962 2.691 1.00 0.00 C ATOM 966 O GLU A 63 -0.579 -22.182 2.609 1.00 0.00 O ATOM 967 CB GLU A 63 -2.338 -19.962 4.343 1.00 0.00 C ATOM 968 CG GLU A 63 -2.618 -19.973 5.847 1.00 0.00 C ATOM 969 CD GLU A 63 -4.096 -19.699 6.132 1.00 0.00 C ATOM 970 OE1 GLU A 63 -4.864 -20.685 6.145 1.00 0.00 O ATOM 971 OE2 GLU A 63 -4.424 -18.509 6.329 1.00 0.00 O ATOM 0 H GLU A 63 -0.572 -18.219 4.199 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.530 -20.983 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.584 -18.983 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.980 -20.688 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.336 -20.939 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.003 -19.220 6.340 1.00 0.00 H new ATOM 978 N ILE A 64 -0.743 -20.139 1.653 1.00 0.00 N ATOM 979 CA ILE A 64 -0.608 -20.640 0.296 1.00 0.00 C ATOM 980 C ILE A 64 0.474 -21.722 0.262 1.00 0.00 C ATOM 981 O ILE A 64 1.489 -21.611 0.948 1.00 0.00 O ATOM 982 CB ILE A 64 -0.356 -19.488 -0.678 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.529 -18.506 -0.682 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.044 -20.014 -2.081 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.517 -17.641 -1.944 1.00 0.00 C ATOM 0 H ILE A 64 -0.856 -19.128 1.725 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.537 -21.107 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 64 0.522 -18.939 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.468 -19.056 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.477 -17.868 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.131 -19.174 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.846 -20.642 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.887 -20.601 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.361 -16.952 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.587 -17.074 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.594 -18.280 -2.824 1.00 0.00 H new ATOM 997 N PRO A 65 0.213 -22.770 -0.564 1.00 0.00 N ATOM 998 CA PRO A 65 1.153 -23.870 -0.697 1.00 0.00 C ATOM 999 C PRO A 65 2.362 -23.461 -1.540 1.00 0.00 C ATOM 1000 O PRO A 65 2.291 -22.503 -2.309 1.00 0.00 O ATOM 1001 CB PRO A 65 0.350 -25.000 -1.319 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.876 -24.349 -1.939 1.00 0.00 C ATOM 1003 CD PRO A 65 -0.978 -22.934 -1.392 1.00 0.00 C ATOM 0 HA PRO A 65 1.576 -24.179 0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.936 -25.526 -2.073 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.063 -25.735 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.792 -24.333 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.774 -24.918 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.005 -22.199 -2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.888 -22.800 -0.807 1.00 0.00 H new ATOM 1011 N PRO A 66 3.472 -24.226 -1.363 1.00 0.00 N ATOM 1012 CA PRO A 66 4.695 -23.953 -2.099 1.00 0.00 C ATOM 1013 C PRO A 66 4.572 -24.407 -3.555 1.00 0.00 C ATOM 1014 O PRO A 66 5.348 -25.243 -4.016 1.00 0.00 O ATOM 1015 CB PRO A 66 5.785 -24.689 -1.337 1.00 0.00 C ATOM 1016 CG PRO A 66 5.071 -25.720 -0.479 1.00 0.00 C ATOM 1017 CD PRO A 66 3.592 -25.368 -0.461 1.00 0.00 C ATOM 0 HA PRO A 66 4.920 -22.888 -2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.485 -25.168 -2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.363 -24.001 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.220 -26.722 -0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.476 -25.721 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.981 -26.205 -0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.257 -25.115 0.545 1.00 0.00 H new ATOM 1025 N GLN A 67 3.591 -23.836 -4.238 1.00 0.00 N ATOM 1026 CA GLN A 67 3.356 -24.172 -5.632 1.00 0.00 C ATOM 1027 C GLN A 67 2.408 -23.154 -6.271 1.00 0.00 C ATOM 1028 O GLN A 67 2.620 -22.731 -7.406 1.00 0.00 O ATOM 1029 CB GLN A 67 2.808 -25.593 -5.769 1.00 0.00 C ATOM 1030 CG GLN A 67 3.547 -26.363 -6.866 1.00 0.00 C ATOM 1031 CD GLN A 67 3.863 -27.791 -6.416 1.00 0.00 C ATOM 1032 OE1 GLN A 67 3.414 -28.766 -6.996 1.00 0.00 O ATOM 1033 NE2 GLN A 67 4.659 -27.859 -5.353 1.00 0.00 N ATOM 0 H GLN A 67 2.950 -23.143 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 67 4.309 -24.133 -6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.909 -26.119 -4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.744 -25.555 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.938 -26.389 -7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.472 -25.845 -7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.000 -27.003 -4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.929 -28.767 -4.975 1.00 0.00 H new ATOM 1042 N SER A 68 1.383 -22.792 -5.514 1.00 0.00 N ATOM 1043 CA SER A 68 0.402 -21.833 -5.992 1.00 0.00 C ATOM 1044 C SER A 68 0.952 -20.411 -5.858 1.00 0.00 C ATOM 1045 O SER A 68 0.571 -19.521 -6.616 1.00 0.00 O ATOM 1046 CB SER A 68 -0.916 -21.966 -5.227 1.00 0.00 C ATOM 1047 OG SER A 68 -1.824 -20.912 -5.540 1.00 0.00 O ATOM 0 H SER A 68 1.211 -23.146 -4.573 1.00 0.00 H new ATOM 0 HA SER A 68 0.204 -22.042 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.378 -22.925 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.715 -21.965 -4.156 1.00 0.00 H new ATOM 0 HG SER A 68 -2.654 -21.034 -5.033 1.00 0.00 H new ATOM 1053 N ARG A 69 1.839 -20.243 -4.888 1.00 0.00 N ATOM 1054 CA ARG A 69 2.445 -18.945 -4.645 1.00 0.00 C ATOM 1055 C ARG A 69 2.976 -18.354 -5.953 1.00 0.00 C ATOM 1056 O ARG A 69 2.315 -17.525 -6.577 1.00 0.00 O ATOM 1057 CB ARG A 69 3.592 -19.052 -3.639 1.00 0.00 C ATOM 1058 CG ARG A 69 3.154 -18.571 -2.254 1.00 0.00 C ATOM 1059 CD ARG A 69 4.325 -18.598 -1.269 1.00 0.00 C ATOM 1060 NE ARG A 69 4.767 -17.218 -0.969 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.453 -16.871 0.128 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.780 -17.800 1.036 1.00 0.00 N ATOM 1063 NH2 ARG A 69 5.813 -15.594 0.317 1.00 0.00 N ATOM 0 H ARG A 69 2.152 -20.984 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 69 1.676 -18.292 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.932 -20.086 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.439 -18.458 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.757 -17.558 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.348 -19.204 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.026 -19.101 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.152 -19.170 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 69 4.535 -16.485 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.507 -18.772 0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.302 -17.535 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.565 -14.886 -0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.335 -15.330 1.152 1.00 0.00 H new ATOM 1077 N GLY A 70 4.164 -18.803 -6.328 1.00 0.00 N ATOM 1078 CA GLY A 70 4.791 -18.329 -7.550 1.00 0.00 C ATOM 1079 C GLY A 70 4.760 -16.801 -7.625 1.00 0.00 C ATOM 1080 O GLY A 70 5.616 -16.130 -7.051 1.00 0.00 O ATOM 0 H GLY A 70 4.709 -19.490 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.823 -18.678 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.276 -18.750 -8.414 1.00 0.00 H new ATOM 1084 N MET A 71 3.764 -16.296 -8.338 1.00 0.00 N ATOM 1085 CA MET A 71 3.610 -14.860 -8.496 1.00 0.00 C ATOM 1086 C MET A 71 3.550 -14.162 -7.136 1.00 0.00 C ATOM 1087 O MET A 71 4.427 -13.366 -6.803 1.00 0.00 O ATOM 1088 CB MET A 71 2.328 -14.566 -9.278 1.00 0.00 C ATOM 1089 CG MET A 71 2.620 -14.407 -10.771 1.00 0.00 C ATOM 1090 SD MET A 71 2.837 -12.681 -11.170 1.00 0.00 S ATOM 1091 CE MET A 71 2.514 -12.725 -12.925 1.00 0.00 C ATOM 0 H MET A 71 3.056 -16.856 -8.813 1.00 0.00 H new ATOM 0 HA MET A 71 4.474 -14.479 -9.041 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.613 -15.375 -9.128 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.865 -13.656 -8.896 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.518 -14.966 -11.036 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.801 -14.824 -11.357 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.608 -11.720 -13.338 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.232 -13.385 -13.411 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.504 -13.096 -13.100 1.00 0.00 H new ATOM 1101 N TYR A 72 2.506 -14.485 -6.386 1.00 0.00 N ATOM 1102 CA TYR A 72 2.320 -13.900 -5.070 1.00 0.00 C ATOM 1103 C TYR A 72 3.662 -13.705 -4.361 1.00 0.00 C ATOM 1104 O TYR A 72 3.833 -12.756 -3.597 1.00 0.00 O ATOM 1105 CB TYR A 72 1.480 -14.903 -4.277 1.00 0.00 C ATOM 1106 CG TYR A 72 0.323 -14.269 -3.501 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.430 -12.974 -3.038 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.828 -14.994 -3.264 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.658 -12.377 -2.308 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.916 -14.398 -2.534 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.778 -13.119 -2.092 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.806 -12.556 -1.402 1.00 0.00 O ATOM 0 H TYR A 72 1.780 -15.145 -6.666 1.00 0.00 H new ATOM 0 HA TYR A 72 1.842 -12.924 -5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.078 -15.648 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.128 -15.431 -3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.331 -12.407 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.912 -16.008 -3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.587 -11.364 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.822 -14.954 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.540 -13.201 -1.324 1.00 0.00 H new ATOM 1122 N SER A 73 4.580 -14.619 -4.641 1.00 0.00 N ATOM 1123 CA SER A 73 5.902 -14.559 -4.040 1.00 0.00 C ATOM 1124 C SER A 73 6.700 -13.402 -4.644 1.00 0.00 C ATOM 1125 O SER A 73 7.118 -12.492 -3.930 1.00 0.00 O ATOM 1126 CB SER A 73 6.653 -15.878 -4.230 1.00 0.00 C ATOM 1127 OG SER A 73 7.704 -16.036 -3.281 1.00 0.00 O ATOM 0 H SER A 73 4.435 -15.404 -5.275 1.00 0.00 H new ATOM 0 HA SER A 73 5.784 -14.390 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.954 -16.709 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.066 -15.918 -5.238 1.00 0.00 H new ATOM 0 HG SER A 73 8.158 -16.891 -3.435 1.00 0.00 H new ATOM 1133 N ASN A 74 6.888 -13.475 -5.954 1.00 0.00 N ATOM 1134 CA ASN A 74 7.629 -12.445 -6.662 1.00 0.00 C ATOM 1135 C ASN A 74 6.890 -11.112 -6.533 1.00 0.00 C ATOM 1136 O ASN A 74 7.493 -10.094 -6.198 1.00 0.00 O ATOM 1137 CB ASN A 74 7.748 -12.778 -8.151 1.00 0.00 C ATOM 1138 CG ASN A 74 8.265 -11.575 -8.942 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.195 -10.892 -8.545 1.00 0.00 O ATOM 1140 ND2 ASN A 74 7.612 -11.354 -10.079 1.00 0.00 N ATOM 0 H ASN A 74 6.540 -14.231 -6.543 1.00 0.00 H new ATOM 0 HA ASN A 74 8.626 -12.385 -6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.423 -13.623 -8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.775 -13.082 -8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.881 -10.574 -10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.842 -11.965 -10.352 1.00 0.00 H new ATOM 1147 N ARG A 75 5.594 -11.161 -6.806 1.00 0.00 N ATOM 1148 CA ARG A 75 4.767 -9.969 -6.725 1.00 0.00 C ATOM 1149 C ARG A 75 4.936 -9.298 -5.360 1.00 0.00 C ATOM 1150 O ARG A 75 5.230 -8.106 -5.283 1.00 0.00 O ATOM 1151 CB ARG A 75 3.290 -10.309 -6.939 1.00 0.00 C ATOM 1152 CG ARG A 75 2.782 -9.733 -8.262 1.00 0.00 C ATOM 1153 CD ARG A 75 2.761 -8.203 -8.223 1.00 0.00 C ATOM 1154 NE ARG A 75 2.239 -7.671 -9.501 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.373 -6.397 -9.895 1.00 0.00 C ATOM 1156 NH1 ARG A 75 3.013 -5.518 -9.112 1.00 0.00 N ATOM 1157 NH2 ARG A 75 1.867 -6.003 -11.072 1.00 0.00 N ATOM 0 H ARG A 75 5.097 -12.007 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 75 5.089 -9.287 -7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.158 -11.391 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.698 -9.912 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.420 -10.071 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.779 -10.109 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.139 -7.861 -7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.766 -7.822 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 75 1.746 -8.314 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.398 -5.819 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.115 -4.548 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.380 -6.673 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.969 -5.033 -11.372 1.00 0.00 H new ATOM 1171 N MET A 76 4.743 -10.092 -4.318 1.00 0.00 N ATOM 1172 CA MET A 76 4.870 -9.589 -2.960 1.00 0.00 C ATOM 1173 C MET A 76 6.080 -8.662 -2.831 1.00 0.00 C ATOM 1174 O MET A 76 5.954 -7.535 -2.353 1.00 0.00 O ATOM 1175 CB MET A 76 5.022 -10.765 -1.993 1.00 0.00 C ATOM 1176 CG MET A 76 3.666 -11.182 -1.420 1.00 0.00 C ATOM 1177 SD MET A 76 3.456 -10.497 0.215 1.00 0.00 S ATOM 1178 CE MET A 76 1.851 -9.738 0.029 1.00 0.00 C ATOM 0 H MET A 76 4.500 -11.080 -4.386 1.00 0.00 H new ATOM 0 HA MET A 76 3.972 -9.020 -2.717 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.477 -11.609 -2.510 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.694 -10.488 -1.181 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.865 -10.837 -2.073 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.598 -12.269 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.533 -9.322 0.985 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.909 -8.941 -0.713 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.130 -10.487 -0.299 1.00 0.00 H new ATOM 1188 N ARG A 77 7.224 -9.170 -3.264 1.00 0.00 N ATOM 1189 CA ARG A 77 8.455 -8.401 -3.202 1.00 0.00 C ATOM 1190 C ARG A 77 8.290 -7.073 -3.945 1.00 0.00 C ATOM 1191 O ARG A 77 8.797 -6.043 -3.502 1.00 0.00 O ATOM 1192 CB ARG A 77 9.622 -9.178 -3.816 1.00 0.00 C ATOM 1193 CG ARG A 77 10.378 -9.968 -2.745 1.00 0.00 C ATOM 1194 CD ARG A 77 11.193 -9.034 -1.849 1.00 0.00 C ATOM 1195 NE ARG A 77 10.908 -9.321 -0.425 1.00 0.00 N ATOM 1196 CZ ARG A 77 11.264 -10.452 0.198 1.00 0.00 C ATOM 1197 NH1 ARG A 77 11.921 -11.409 -0.472 1.00 0.00 N ATOM 1198 NH2 ARG A 77 10.963 -10.627 1.492 1.00 0.00 N ATOM 0 H ARG A 77 7.324 -10.105 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 77 8.673 -8.209 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.248 -9.860 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.303 -8.487 -4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.671 -10.534 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 77 11.040 -10.691 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 77 12.257 -9.162 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.949 -7.996 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 77 10.410 -8.614 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.150 -11.276 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.192 -12.270 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.463 -9.899 2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.234 -11.488 1.967 1.00 0.00 H new ATOM 1212 N SER A 78 7.579 -7.140 -5.060 1.00 0.00 N ATOM 1213 CA SER A 78 7.340 -5.956 -5.868 1.00 0.00 C ATOM 1214 C SER A 78 6.465 -4.965 -5.098 1.00 0.00 C ATOM 1215 O SER A 78 6.897 -3.854 -4.797 1.00 0.00 O ATOM 1216 CB SER A 78 6.682 -6.322 -7.200 1.00 0.00 C ATOM 1217 OG SER A 78 7.569 -6.142 -8.301 1.00 0.00 O ATOM 0 H SER A 78 7.160 -7.996 -5.424 1.00 0.00 H new ATOM 0 HA SER A 78 8.301 -5.490 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.350 -7.360 -7.167 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.793 -5.708 -7.346 1.00 0.00 H new ATOM 0 HG SER A 78 7.112 -6.388 -9.133 1.00 0.00 H new ATOM 1223 N TYR A 79 5.250 -5.404 -4.801 1.00 0.00 N ATOM 1224 CA TYR A 79 4.311 -4.569 -4.072 1.00 0.00 C ATOM 1225 C TYR A 79 5.027 -3.747 -2.999 1.00 0.00 C ATOM 1226 O TYR A 79 5.029 -2.518 -3.052 1.00 0.00 O ATOM 1227 CB TYR A 79 3.332 -5.529 -3.394 1.00 0.00 C ATOM 1228 CG TYR A 79 2.260 -6.090 -4.331 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.662 -5.269 -5.265 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.892 -7.417 -4.242 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.653 -5.796 -6.147 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.883 -7.945 -5.123 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.314 -7.108 -6.033 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.639 -7.607 -6.865 1.00 0.00 O ATOM 0 H TYR A 79 4.895 -6.327 -5.052 1.00 0.00 H new ATOM 0 HA TYR A 79 3.814 -3.872 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.893 -6.358 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.844 -5.011 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.951 -4.231 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.361 -8.060 -3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.177 -5.164 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.585 -8.981 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.778 -8.557 -6.671 1.00 0.00 H new ATOM 1244 N LYS A 80 5.617 -4.458 -2.049 1.00 0.00 N ATOM 1245 CA LYS A 80 6.334 -3.809 -0.965 1.00 0.00 C ATOM 1246 C LYS A 80 7.229 -2.709 -1.538 1.00 0.00 C ATOM 1247 O LYS A 80 7.109 -1.545 -1.158 1.00 0.00 O ATOM 1248 CB LYS A 80 7.091 -4.844 -0.129 1.00 0.00 C ATOM 1249 CG LYS A 80 6.297 -5.223 1.123 1.00 0.00 C ATOM 1250 CD LYS A 80 6.241 -6.742 1.297 1.00 0.00 C ATOM 1251 CE LYS A 80 4.838 -7.196 1.704 1.00 0.00 C ATOM 1252 NZ LYS A 80 4.798 -7.528 3.146 1.00 0.00 N ATOM 0 H LYS A 80 5.613 -5.477 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 80 5.636 -3.328 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.279 -5.735 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.063 -4.444 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.757 -4.769 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.285 -4.824 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.529 -7.229 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.961 -7.052 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.117 -6.408 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.546 -8.066 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.885 -7.230 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.911 -8.554 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.569 -7.033 3.638 1.00 0.00 H new ATOM 1266 N GLN A 81 8.107 -3.115 -2.443 1.00 0.00 N ATOM 1267 CA GLN A 81 9.022 -2.178 -3.073 1.00 0.00 C ATOM 1268 C GLN A 81 8.257 -0.959 -3.595 1.00 0.00 C ATOM 1269 O GLN A 81 8.663 0.178 -3.364 1.00 0.00 O ATOM 1270 CB GLN A 81 9.811 -2.852 -4.196 1.00 0.00 C ATOM 1271 CG GLN A 81 11.068 -3.533 -3.650 1.00 0.00 C ATOM 1272 CD GLN A 81 12.098 -2.497 -3.195 1.00 0.00 C ATOM 1273 OE1 GLN A 81 11.819 -1.315 -3.078 1.00 0.00 O ATOM 1274 NE2 GLN A 81 13.302 -3.005 -2.945 1.00 0.00 N ATOM 0 H GLN A 81 8.204 -4.081 -2.755 1.00 0.00 H new ATOM 0 HA GLN A 81 9.738 -1.840 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.182 -3.588 -4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.091 -2.111 -4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.802 -4.179 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.504 -4.171 -4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.468 -4.004 -3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.059 -2.395 -2.635 1.00 0.00 H new ATOM 1283 N GLU A 82 7.164 -1.240 -4.289 1.00 0.00 N ATOM 1284 CA GLU A 82 6.339 -0.181 -4.846 1.00 0.00 C ATOM 1285 C GLU A 82 5.758 0.684 -3.726 1.00 0.00 C ATOM 1286 O GLU A 82 6.067 1.871 -3.629 1.00 0.00 O ATOM 1287 CB GLU A 82 5.229 -0.757 -5.726 1.00 0.00 C ATOM 1288 CG GLU A 82 4.328 0.354 -6.270 1.00 0.00 C ATOM 1289 CD GLU A 82 4.791 0.807 -7.656 1.00 0.00 C ATOM 1290 OE1 GLU A 82 4.567 0.032 -8.610 1.00 0.00 O ATOM 1291 OE2 GLU A 82 5.360 1.918 -7.729 1.00 0.00 O ATOM 0 H GLU A 82 6.830 -2.185 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 82 6.967 0.449 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.668 -1.312 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.633 -1.464 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.299 -0.002 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.336 1.202 -5.585 1.00 0.00 H new ATOM 1298 N MET A 83 4.927 0.056 -2.907 1.00 0.00 N ATOM 1299 CA MET A 83 4.300 0.753 -1.797 1.00 0.00 C ATOM 1300 C MET A 83 5.317 1.618 -1.048 1.00 0.00 C ATOM 1301 O MET A 83 5.169 2.837 -0.980 1.00 0.00 O ATOM 1302 CB MET A 83 3.689 -0.266 -0.833 1.00 0.00 C ATOM 1303 CG MET A 83 2.165 -0.133 -0.790 1.00 0.00 C ATOM 1304 SD MET A 83 1.710 1.548 -0.399 1.00 0.00 S ATOM 1305 CE MET A 83 2.041 1.559 1.355 1.00 0.00 C ATOM 0 H MET A 83 4.673 -0.928 -2.990 1.00 0.00 H new ATOM 0 HA MET A 83 3.520 1.403 -2.195 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.961 -1.275 -1.144 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.099 -0.118 0.166 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.739 -0.419 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.753 -0.813 -0.044 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.128 1.806 1.896 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.391 0.575 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.806 2.303 1.576 1.00 0.00 H new ATOM 1315 N GLY A 84 6.326 0.953 -0.505 1.00 0.00 N ATOM 1316 CA GLY A 84 7.366 1.645 0.236 1.00 0.00 C ATOM 1317 C GLY A 84 7.875 2.862 -0.540 1.00 0.00 C ATOM 1318 O GLY A 84 8.232 3.877 0.055 1.00 0.00 O ATOM 0 H GLY A 84 6.445 -0.058 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.978 1.963 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.193 0.963 0.432 1.00 0.00 H new ATOM 1322 N LYS A 85 7.891 2.720 -1.857 1.00 0.00 N ATOM 1323 CA LYS A 85 8.349 3.795 -2.720 1.00 0.00 C ATOM 1324 C LYS A 85 7.287 4.896 -2.765 1.00 0.00 C ATOM 1325 O LYS A 85 7.617 6.080 -2.803 1.00 0.00 O ATOM 1326 CB LYS A 85 8.729 3.250 -4.099 1.00 0.00 C ATOM 1327 CG LYS A 85 9.207 4.375 -5.020 1.00 0.00 C ATOM 1328 CD LYS A 85 8.825 4.092 -6.474 1.00 0.00 C ATOM 1329 CE LYS A 85 9.984 4.419 -7.419 1.00 0.00 C ATOM 1330 NZ LYS A 85 9.667 3.984 -8.798 1.00 0.00 N ATOM 0 H LYS A 85 7.594 1.876 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 85 9.257 4.245 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.515 2.502 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.870 2.750 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.768 5.321 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.289 4.482 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.547 3.044 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.951 4.684 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.180 5.491 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.892 3.924 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.464 4.213 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.502 2.957 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.812 4.475 -9.129 1.00 0.00 H new ATOM 1344 N LEU A 86 6.034 4.465 -2.760 1.00 0.00 N ATOM 1345 CA LEU A 86 4.922 5.399 -2.799 1.00 0.00 C ATOM 1346 C LEU A 86 5.014 6.346 -1.601 1.00 0.00 C ATOM 1347 O LEU A 86 4.470 7.449 -1.633 1.00 0.00 O ATOM 1348 CB LEU A 86 3.593 4.646 -2.887 1.00 0.00 C ATOM 1349 CG LEU A 86 3.080 4.353 -4.299 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.321 3.026 -4.342 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.235 5.514 -4.827 1.00 0.00 C ATOM 0 H LEU A 86 5.765 3.482 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 86 4.973 6.015 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.699 3.700 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.835 5.224 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 86 3.940 4.253 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.967 2.842 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.985 2.217 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.469 3.072 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.883 5.280 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.379 5.670 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.840 6.420 -4.856 1.00 0.00 H new ATOM 1363 N GLU A 87 5.707 5.881 -0.571 1.00 0.00 N ATOM 1364 CA GLU A 87 5.877 6.672 0.635 1.00 0.00 C ATOM 1365 C GLU A 87 6.841 7.832 0.377 1.00 0.00 C ATOM 1366 O GLU A 87 6.643 8.934 0.886 1.00 0.00 O ATOM 1367 CB GLU A 87 6.362 5.803 1.797 1.00 0.00 C ATOM 1368 CG GLU A 87 5.198 5.405 2.707 1.00 0.00 C ATOM 1369 CD GLU A 87 5.429 5.894 4.138 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.485 7.130 4.314 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.544 5.020 5.025 1.00 0.00 O ATOM 0 H GLU A 87 6.157 4.966 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 87 4.908 7.086 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.847 4.908 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.110 6.346 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.269 5.825 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.083 4.321 2.703 1.00 0.00 H new ATOM 1378 N THR A 88 7.866 7.543 -0.412 1.00 0.00 N ATOM 1379 CA THR A 88 8.862 8.548 -0.743 1.00 0.00 C ATOM 1380 C THR A 88 8.332 9.486 -1.830 1.00 0.00 C ATOM 1381 O THR A 88 8.093 10.665 -1.574 1.00 0.00 O ATOM 1382 CB THR A 88 10.150 7.824 -1.140 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.877 7.716 0.081 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.049 8.678 -2.035 1.00 0.00 C ATOM 0 H THR A 88 8.028 6.627 -0.831 1.00 0.00 H new ATOM 0 HA THR A 88 9.081 9.185 0.114 1.00 0.00 H new ATOM 0 HB THR A 88 9.901 6.896 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.727 7.257 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.949 8.117 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.514 8.936 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.326 9.591 -1.507 1.00 0.00 H new ATOM 1392 N ASP A 89 8.165 8.927 -3.019 1.00 0.00 N ATOM 1393 CA ASP A 89 7.669 9.698 -4.146 1.00 0.00 C ATOM 1394 C ASP A 89 6.544 10.620 -3.671 1.00 0.00 C ATOM 1395 O ASP A 89 6.402 11.737 -4.165 1.00 0.00 O ATOM 1396 CB ASP A 89 7.102 8.783 -5.233 1.00 0.00 C ATOM 1397 CG ASP A 89 7.975 8.646 -6.482 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.845 7.748 -6.471 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.753 9.441 -7.420 1.00 0.00 O ATOM 0 H ASP A 89 8.365 7.949 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 89 8.501 10.271 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.945 7.792 -4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.124 9.161 -5.531 1.00 0.00 H new ATOM 1404 N PHE A 90 5.774 10.118 -2.717 1.00 0.00 N ATOM 1405 CA PHE A 90 4.666 10.883 -2.169 1.00 0.00 C ATOM 1406 C PHE A 90 5.165 12.158 -1.487 1.00 0.00 C ATOM 1407 O PHE A 90 4.634 13.242 -1.724 1.00 0.00 O ATOM 1408 CB PHE A 90 3.981 9.996 -1.128 1.00 0.00 C ATOM 1409 CG PHE A 90 3.198 10.772 -0.068 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.563 11.928 -0.401 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.136 10.306 1.209 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.836 12.648 0.583 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.409 11.027 2.193 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.774 12.182 1.859 1.00 0.00 C ATOM 0 H PHE A 90 5.895 9.191 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 90 3.983 11.173 -2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.302 9.312 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.736 9.385 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.612 12.298 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.640 9.388 1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.332 13.566 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.360 10.658 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.220 12.729 2.607 1.00 0.00 H new ATOM 1424 N LYS A 91 6.179 11.986 -0.652 1.00 0.00 N ATOM 1425 CA LYS A 91 6.755 13.110 0.067 1.00 0.00 C ATOM 1426 C LYS A 91 7.644 13.916 -0.883 1.00 0.00 C ATOM 1427 O LYS A 91 7.944 15.080 -0.620 1.00 0.00 O ATOM 1428 CB LYS A 91 7.480 12.627 1.325 1.00 0.00 C ATOM 1429 CG LYS A 91 8.992 12.570 1.099 1.00 0.00 C ATOM 1430 CD LYS A 91 9.689 11.826 2.240 1.00 0.00 C ATOM 1431 CE LYS A 91 11.205 12.028 2.181 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.700 12.608 3.449 1.00 0.00 N ATOM 0 H LYS A 91 6.617 11.085 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 91 5.970 13.781 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.258 13.296 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.113 11.639 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.203 12.072 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.390 13.582 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.308 12.182 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.458 10.763 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.698 11.074 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.458 12.686 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.730 12.739 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.243 13.528 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.475 11.966 4.236 1.00 0.00 H new ATOM 1446 N ARG A 92 8.039 13.265 -1.967 1.00 0.00 N ATOM 1447 CA ARG A 92 8.887 13.907 -2.957 1.00 0.00 C ATOM 1448 C ARG A 92 8.034 14.674 -3.970 1.00 0.00 C ATOM 1449 O ARG A 92 8.562 15.262 -4.912 1.00 0.00 O ATOM 1450 CB ARG A 92 9.745 12.879 -3.698 1.00 0.00 C ATOM 1451 CG ARG A 92 11.126 12.750 -3.052 1.00 0.00 C ATOM 1452 CD ARG A 92 12.045 11.865 -3.897 1.00 0.00 C ATOM 1453 NE ARG A 92 12.923 12.706 -4.740 1.00 0.00 N ATOM 1454 CZ ARG A 92 14.011 12.253 -5.378 1.00 0.00 C ATOM 1455 NH1 ARG A 92 14.362 10.965 -5.271 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.748 13.089 -6.122 1.00 0.00 N ATOM 0 H ARG A 92 7.788 12.300 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 92 9.544 14.600 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.245 11.911 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.854 13.175 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.572 13.738 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.026 12.327 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.649 11.230 -3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.449 11.203 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 92 12.685 13.693 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.801 10.329 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.190 10.620 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.481 14.070 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.576 12.744 -6.608 1.00 0.00 H new ATOM 1470 N SER A 93 6.730 14.642 -3.740 1.00 0.00 N ATOM 1471 CA SER A 93 5.798 15.327 -4.621 1.00 0.00 C ATOM 1472 C SER A 93 5.203 16.544 -3.909 1.00 0.00 C ATOM 1473 O SER A 93 4.879 17.544 -4.548 1.00 0.00 O ATOM 1474 CB SER A 93 4.684 14.385 -5.083 1.00 0.00 C ATOM 1475 OG SER A 93 3.528 14.479 -4.256 1.00 0.00 O ATOM 0 H SER A 93 6.296 14.153 -2.957 1.00 0.00 H new ATOM 0 HA SER A 93 6.344 15.661 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.413 14.621 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.051 13.359 -5.077 1.00 0.00 H new ATOM 0 HG SER A 93 3.727 14.107 -3.372 1.00 0.00 H new ATOM 1481 N ARG A 94 5.078 16.418 -2.596 1.00 0.00 N ATOM 1482 CA ARG A 94 4.528 17.496 -1.791 1.00 0.00 C ATOM 1483 C ARG A 94 5.585 18.576 -1.556 1.00 0.00 C ATOM 1484 O ARG A 94 5.254 19.709 -1.210 1.00 0.00 O ATOM 1485 CB ARG A 94 4.031 16.975 -0.441 1.00 0.00 C ATOM 1486 CG ARG A 94 5.192 16.446 0.404 1.00 0.00 C ATOM 1487 CD ARG A 94 4.688 15.877 1.732 1.00 0.00 C ATOM 1488 NE ARG A 94 5.759 15.948 2.751 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.561 15.762 4.063 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.332 15.492 4.524 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.593 15.845 4.915 1.00 0.00 N ATOM 0 H ARG A 94 5.348 15.587 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 94 3.686 17.921 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.521 17.775 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.301 16.181 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.726 15.672 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.903 17.250 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.816 16.437 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.371 14.843 1.597 1.00 0.00 H new ATOM 0 HE ARG A 94 6.707 16.151 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.547 15.428 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.182 15.350 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.529 16.050 4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.442 15.703 5.914 1.00 0.00 H new ATOM 1505 N ILE A 95 6.837 18.187 -1.753 1.00 0.00 N ATOM 1506 CA ILE A 95 7.945 19.108 -1.567 1.00 0.00 C ATOM 1507 C ILE A 95 8.065 20.010 -2.797 1.00 0.00 C ATOM 1508 O ILE A 95 8.734 21.041 -2.752 1.00 0.00 O ATOM 1509 CB ILE A 95 9.228 18.343 -1.238 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.750 17.595 -2.466 1.00 0.00 C ATOM 1511 CG2 ILE A 95 9.019 17.409 -0.044 1.00 0.00 C ATOM 1512 CD1 ILE A 95 11.277 17.661 -2.541 1.00 0.00 C ATOM 0 H ILE A 95 7.108 17.246 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 95 7.761 19.758 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 95 9.992 19.065 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.429 16.554 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.319 18.027 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.946 16.877 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.728 17.994 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.234 16.690 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.622 17.121 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.593 18.702 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.705 17.207 -1.648 1.00 0.00 H new ATOM 1524 N ALA A 96 7.405 19.590 -3.866 1.00 0.00 N ATOM 1525 CA ALA A 96 7.430 20.347 -5.106 1.00 0.00 C ATOM 1526 C ALA A 96 6.544 21.586 -4.959 1.00 0.00 C ATOM 1527 O ALA A 96 5.405 21.488 -4.505 1.00 0.00 O ATOM 1528 CB ALA A 96 6.988 19.448 -6.262 1.00 0.00 C ATOM 0 H ALA A 96 6.850 18.735 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 96 8.441 20.689 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.007 20.016 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.666 18.598 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.976 19.088 -6.077 1.00 0.00 H new ATOM 1534 N SER A 97 7.100 22.722 -5.353 1.00 0.00 N ATOM 1535 CA SER A 97 6.375 23.978 -5.271 1.00 0.00 C ATOM 1536 C SER A 97 7.195 25.099 -5.914 1.00 0.00 C ATOM 1537 O SER A 97 6.688 25.839 -6.756 1.00 0.00 O ATOM 1538 CB SER A 97 6.043 24.329 -3.819 1.00 0.00 C ATOM 1539 OG SER A 97 7.214 24.424 -3.012 1.00 0.00 O ATOM 0 H SER A 97 8.045 22.799 -5.730 1.00 0.00 H new ATOM 0 HA SER A 97 5.436 23.867 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.504 25.276 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.378 23.571 -3.406 1.00 0.00 H new ATOM 0 HG SER A 97 6.960 24.651 -2.093 1.00 0.00 H new ATOM 1545 N GLY A 98 8.448 25.188 -5.493 1.00 0.00 N ATOM 1546 CA GLY A 98 9.343 26.206 -6.017 1.00 0.00 C ATOM 1547 C GLY A 98 10.805 25.782 -5.863 1.00 0.00 C ATOM 1548 O GLY A 98 11.122 24.596 -5.939 1.00 0.00 O ATOM 0 H GLY A 98 8.865 24.572 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.121 26.384 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.176 27.147 -5.493 1.00 0.00 H new ATOM 1552 N PRO A 99 11.679 26.801 -5.645 1.00 0.00 N ATOM 1553 CA PRO A 99 13.100 26.546 -5.480 1.00 0.00 C ATOM 1554 C PRO A 99 13.394 25.953 -4.101 1.00 0.00 C ATOM 1555 O PRO A 99 13.424 26.673 -3.105 1.00 0.00 O ATOM 1556 CB PRO A 99 13.769 27.893 -5.703 1.00 0.00 C ATOM 1557 CG PRO A 99 12.678 28.936 -5.523 1.00 0.00 C ATOM 1558 CD PRO A 99 11.338 28.218 -5.550 1.00 0.00 C ATOM 0 HA PRO A 99 13.480 25.806 -6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.580 28.049 -4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.205 27.952 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.808 29.466 -4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.728 29.681 -6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.759 28.427 -4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.734 28.538 -6.399 1.00 0.00 H new ATOM 1566 N SER A 100 13.604 24.645 -4.088 1.00 0.00 N ATOM 1567 CA SER A 100 13.895 23.946 -2.848 1.00 0.00 C ATOM 1568 C SER A 100 15.385 23.608 -2.775 1.00 0.00 C ATOM 1569 O SER A 100 16.050 23.494 -3.803 1.00 0.00 O ATOM 1570 CB SER A 100 13.055 22.673 -2.723 1.00 0.00 C ATOM 1571 OG SER A 100 13.519 21.828 -1.673 1.00 0.00 O ATOM 0 H SER A 100 13.578 24.051 -4.917 1.00 0.00 H new ATOM 0 HA SER A 100 13.637 24.602 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.015 22.942 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.081 22.127 -3.666 1.00 0.00 H new ATOM 0 HG SER A 100 12.956 21.027 -1.624 1.00 0.00 H new ATOM 1577 N SER A 101 15.866 23.458 -1.549 1.00 0.00 N ATOM 1578 CA SER A 101 17.265 23.135 -1.328 1.00 0.00 C ATOM 1579 C SER A 101 17.561 21.720 -1.828 1.00 0.00 C ATOM 1580 O SER A 101 16.823 20.784 -1.525 1.00 0.00 O ATOM 1581 CB SER A 101 17.633 23.263 0.151 1.00 0.00 C ATOM 1582 OG SER A 101 17.245 24.524 0.690 1.00 0.00 O ATOM 0 H SER A 101 15.311 23.554 -0.699 1.00 0.00 H new ATOM 0 HA SER A 101 17.872 23.846 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.152 22.464 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.709 23.133 0.270 1.00 0.00 H new ATOM 0 HG SER A 101 17.496 24.566 1.636 1.00 0.00 H new ATOM 1588 N GLY A 102 18.643 21.608 -2.585 1.00 0.00 N ATOM 1589 CA GLY A 102 19.045 20.322 -3.130 1.00 0.00 C ATOM 1590 C GLY A 102 18.571 20.167 -4.576 1.00 0.00 C ATOM 1591 O GLY A 102 19.236 19.522 -5.385 1.00 0.00 O ATOM 0 H GLY A 102 19.253 22.386 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 102 20.130 20.228 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 102 18.631 19.519 -2.520 1.00 0.00 H new TER 1595 GLY A 102