USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 10 SER OG : rot 180:sc= -0.0885 USER MOD Set 1.2: A 58 GLN : amide:sc= -0.173 K(o=-0.26,f=0.46!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 59:sc= 0.349 USER MOD Single : A 5 SER OG : rot 47:sc= 0.361 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0933 K(o=-0.093,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 108:sc= 0.786 USER MOD Single : A 41 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.9!) USER MOD Single : A 42 ASN : amide:sc= 0.547 K(o=0.55,f=-0.002) USER MOD Single : A 43 ASN : amide:sc= -3.24 K(o=-3.2,f=-2.4) USER MOD Single : A 46 ASN : amide:sc= -0.0909 K(o=-0.091,f=-2!) USER MOD Single : A 47 GLN : amide:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00731 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 56 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.077) USER MOD Single : A 57 SER OG : rot -69:sc= 1.18 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -59:sc= 0.287 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00704 X(o=-0.007,f=-0.062) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.619 18.274 13.129 1.00 0.00 N ATOM 2 CA GLY A 1 14.028 17.260 12.273 1.00 0.00 C ATOM 3 C GLY A 1 14.447 15.857 12.716 1.00 0.00 C ATOM 4 O GLY A 1 15.609 15.627 13.048 1.00 0.00 O ATOM 0 H1 GLY A 1 14.955 19.068 12.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.906 18.617 13.804 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.420 17.864 13.650 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.942 17.344 12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.335 17.426 11.241 1.00 0.00 H new ATOM 8 N SER A 2 13.477 14.954 12.706 1.00 0.00 N ATOM 9 CA SER A 2 13.730 13.579 13.103 1.00 0.00 C ATOM 10 C SER A 2 13.336 12.627 11.971 1.00 0.00 C ATOM 11 O SER A 2 12.276 12.781 11.367 1.00 0.00 O ATOM 12 CB SER A 2 12.970 13.226 14.382 1.00 0.00 C ATOM 13 OG SER A 2 13.837 12.732 15.400 1.00 0.00 O ATOM 0 H SER A 2 12.515 15.148 12.429 1.00 0.00 H new ATOM 0 HA SER A 2 14.796 13.472 13.305 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.447 14.109 14.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.211 12.477 14.157 1.00 0.00 H new ATOM 0 HG SER A 2 13.314 12.520 16.201 1.00 0.00 H new ATOM 19 N SER A 3 14.211 11.665 11.719 1.00 0.00 N ATOM 20 CA SER A 3 13.968 10.688 10.671 1.00 0.00 C ATOM 21 C SER A 3 15.116 9.678 10.621 1.00 0.00 C ATOM 22 O SER A 3 16.205 9.944 11.128 1.00 0.00 O ATOM 23 CB SER A 3 13.800 11.369 9.312 1.00 0.00 C ATOM 24 OG SER A 3 12.440 11.383 8.886 1.00 0.00 O ATOM 0 H SER A 3 15.089 11.541 12.222 1.00 0.00 H new ATOM 0 HA SER A 3 13.041 10.163 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.172 12.392 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.407 10.851 8.570 1.00 0.00 H new ATOM 0 HG SER A 3 11.893 11.849 9.553 1.00 0.00 H new ATOM 30 N GLY A 4 14.834 8.540 10.004 1.00 0.00 N ATOM 31 CA GLY A 4 15.830 7.489 9.881 1.00 0.00 C ATOM 32 C GLY A 4 15.197 6.191 9.373 1.00 0.00 C ATOM 33 O GLY A 4 13.988 5.999 9.489 1.00 0.00 O ATOM 0 H GLY A 4 13.930 8.323 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.617 7.807 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.301 7.314 10.848 1.00 0.00 H new ATOM 37 N SER A 5 16.044 5.334 8.821 1.00 0.00 N ATOM 38 CA SER A 5 15.583 4.061 8.295 1.00 0.00 C ATOM 39 C SER A 5 16.778 3.148 8.012 1.00 0.00 C ATOM 40 O SER A 5 17.911 3.617 7.908 1.00 0.00 O ATOM 41 CB SER A 5 14.753 4.257 7.025 1.00 0.00 C ATOM 42 OG SER A 5 13.354 4.199 7.287 1.00 0.00 O ATOM 0 H SER A 5 17.047 5.497 8.727 1.00 0.00 H new ATOM 0 HA SER A 5 14.945 3.593 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.998 5.220 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.018 3.490 6.297 1.00 0.00 H new ATOM 0 HG SER A 5 13.144 4.754 8.067 1.00 0.00 H new ATOM 48 N SER A 6 16.485 1.861 7.896 1.00 0.00 N ATOM 49 CA SER A 6 17.521 0.879 7.627 1.00 0.00 C ATOM 50 C SER A 6 16.904 -0.518 7.527 1.00 0.00 C ATOM 51 O SER A 6 16.682 -1.176 8.542 1.00 0.00 O ATOM 52 CB SER A 6 18.600 0.907 8.711 1.00 0.00 C ATOM 53 OG SER A 6 19.912 0.962 8.156 1.00 0.00 O ATOM 0 H SER A 6 15.545 1.476 7.983 1.00 0.00 H new ATOM 0 HA SER A 6 17.992 1.130 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.443 1.771 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.508 0.020 9.337 1.00 0.00 H new ATOM 0 HG SER A 6 20.573 0.980 8.880 1.00 0.00 H new ATOM 59 N GLY A 7 16.646 -0.929 6.294 1.00 0.00 N ATOM 60 CA GLY A 7 16.060 -2.236 6.049 1.00 0.00 C ATOM 61 C GLY A 7 16.435 -2.753 4.658 1.00 0.00 C ATOM 62 O GLY A 7 17.168 -2.093 3.924 1.00 0.00 O ATOM 0 H GLY A 7 16.832 -0.380 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.403 -2.940 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.975 -2.175 6.138 1.00 0.00 H new ATOM 66 N LYS A 8 15.914 -3.928 4.339 1.00 0.00 N ATOM 67 CA LYS A 8 16.185 -4.541 3.050 1.00 0.00 C ATOM 68 C LYS A 8 14.915 -4.506 2.197 1.00 0.00 C ATOM 69 O LYS A 8 14.925 -3.985 1.083 1.00 0.00 O ATOM 70 CB LYS A 8 16.763 -5.945 3.235 1.00 0.00 C ATOM 71 CG LYS A 8 18.289 -5.902 3.329 1.00 0.00 C ATOM 72 CD LYS A 8 18.752 -6.008 4.783 1.00 0.00 C ATOM 73 CE LYS A 8 20.269 -6.194 4.863 1.00 0.00 C ATOM 74 NZ LYS A 8 20.809 -5.529 6.070 1.00 0.00 N ATOM 0 H LYS A 8 15.306 -4.472 4.951 1.00 0.00 H new ATOM 0 HA LYS A 8 16.947 -3.977 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.352 -6.395 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.464 -6.578 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.716 -6.719 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.658 -4.974 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.463 -5.109 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.253 -6.847 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.510 -7.257 4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.740 -5.780 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.839 -5.665 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.595 -4.512 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.373 -5.942 6.919 1.00 0.00 H new ATOM 88 N VAL A 9 13.851 -5.069 2.752 1.00 0.00 N ATOM 89 CA VAL A 9 12.577 -5.109 2.057 1.00 0.00 C ATOM 90 C VAL A 9 12.727 -5.926 0.772 1.00 0.00 C ATOM 91 O VAL A 9 13.719 -5.790 0.058 1.00 0.00 O ATOM 92 CB VAL A 9 12.073 -3.686 1.805 1.00 0.00 C ATOM 93 CG1 VAL A 9 10.844 -3.693 0.893 1.00 0.00 C ATOM 94 CG2 VAL A 9 11.774 -2.969 3.123 1.00 0.00 C ATOM 0 H VAL A 9 13.846 -5.501 3.676 1.00 0.00 H new ATOM 0 HA VAL A 9 11.823 -5.603 2.670 1.00 0.00 H new ATOM 0 HB VAL A 9 12.864 -3.135 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.506 -2.670 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.103 -4.146 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.046 -4.268 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.418 -1.960 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.009 -3.519 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.683 -2.917 3.723 1.00 0.00 H new ATOM 104 N SER A 10 11.727 -6.757 0.516 1.00 0.00 N ATOM 105 CA SER A 10 11.736 -7.595 -0.670 1.00 0.00 C ATOM 106 C SER A 10 10.307 -7.800 -1.177 1.00 0.00 C ATOM 107 O SER A 10 9.345 -7.565 -0.446 1.00 0.00 O ATOM 108 CB SER A 10 12.396 -8.946 -0.385 1.00 0.00 C ATOM 109 OG SER A 10 12.769 -9.079 0.984 1.00 0.00 O ATOM 0 H SER A 10 10.905 -6.867 1.110 1.00 0.00 H new ATOM 0 HA SER A 10 12.320 -7.091 -1.440 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.709 -9.749 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.279 -9.058 -1.014 1.00 0.00 H new ATOM 0 HG SER A 10 13.185 -9.955 1.126 1.00 0.00 H new ATOM 115 N PRO A 11 10.209 -8.247 -2.457 1.00 0.00 N ATOM 116 CA PRO A 11 8.914 -8.486 -3.070 1.00 0.00 C ATOM 117 C PRO A 11 8.284 -9.774 -2.537 1.00 0.00 C ATOM 118 O PRO A 11 8.991 -10.682 -2.104 1.00 0.00 O ATOM 119 CB PRO A 11 9.188 -8.534 -4.565 1.00 0.00 C ATOM 120 CG PRO A 11 10.681 -8.785 -4.706 1.00 0.00 C ATOM 121 CD PRO A 11 11.326 -8.536 -3.353 1.00 0.00 C ATOM 0 HA PRO A 11 8.189 -7.707 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.612 -9.326 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.902 -7.598 -5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.867 -9.808 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.109 -8.125 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.889 -9.407 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.026 -7.701 -3.396 1.00 0.00 H new ATOM 129 N PRO A 12 6.925 -9.812 -2.586 1.00 0.00 N ATOM 130 CA PRO A 12 6.192 -10.974 -2.112 1.00 0.00 C ATOM 131 C PRO A 12 6.295 -12.131 -3.108 1.00 0.00 C ATOM 132 O PRO A 12 6.897 -11.987 -4.171 1.00 0.00 O ATOM 133 CB PRO A 12 4.766 -10.485 -1.915 1.00 0.00 C ATOM 134 CG PRO A 12 4.650 -9.202 -2.721 1.00 0.00 C ATOM 135 CD PRO A 12 6.054 -8.755 -3.091 1.00 0.00 C ATOM 0 HA PRO A 12 6.594 -11.375 -1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.047 -11.229 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.557 -10.304 -0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.053 -9.368 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.145 -8.431 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.160 -8.636 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.295 -7.793 -2.639 1.00 0.00 H new ATOM 143 N GLU A 13 5.698 -13.251 -2.729 1.00 0.00 N ATOM 144 CA GLU A 13 5.715 -14.432 -3.575 1.00 0.00 C ATOM 145 C GLU A 13 4.470 -14.466 -4.464 1.00 0.00 C ATOM 146 O GLU A 13 4.573 -14.644 -5.676 1.00 0.00 O ATOM 147 CB GLU A 13 5.825 -15.706 -2.736 1.00 0.00 C ATOM 148 CG GLU A 13 7.215 -16.332 -2.869 1.00 0.00 C ATOM 149 CD GLU A 13 7.252 -17.724 -2.234 1.00 0.00 C ATOM 150 OE1 GLU A 13 7.453 -17.780 -1.001 1.00 0.00 O ATOM 151 OE2 GLU A 13 7.080 -18.700 -2.995 1.00 0.00 O ATOM 0 H GLU A 13 5.199 -13.366 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 13 6.595 -14.383 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.625 -15.475 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.068 -16.422 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.487 -16.401 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.954 -15.690 -2.390 1.00 0.00 H new ATOM 158 N ASP A 14 3.322 -14.292 -3.826 1.00 0.00 N ATOM 159 CA ASP A 14 2.058 -14.301 -4.543 1.00 0.00 C ATOM 160 C ASP A 14 2.063 -13.184 -5.589 1.00 0.00 C ATOM 161 O ASP A 14 2.097 -12.005 -5.243 1.00 0.00 O ATOM 162 CB ASP A 14 0.884 -14.055 -3.594 1.00 0.00 C ATOM 163 CG ASP A 14 -0.152 -15.180 -3.540 1.00 0.00 C ATOM 164 OD1 ASP A 14 0.131 -16.179 -2.845 1.00 0.00 O ATOM 165 OD2 ASP A 14 -1.203 -15.015 -4.197 1.00 0.00 O ATOM 0 H ASP A 14 3.241 -14.144 -2.820 1.00 0.00 H new ATOM 0 HA ASP A 14 1.943 -15.278 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.276 -13.894 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.383 -13.134 -3.892 1.00 0.00 H new ATOM 170 N GLU A 15 2.028 -13.596 -6.848 1.00 0.00 N ATOM 171 CA GLU A 15 2.027 -12.645 -7.947 1.00 0.00 C ATOM 172 C GLU A 15 0.813 -11.720 -7.847 1.00 0.00 C ATOM 173 O GLU A 15 0.947 -10.501 -7.949 1.00 0.00 O ATOM 174 CB GLU A 15 2.058 -13.366 -9.296 1.00 0.00 C ATOM 175 CG GLU A 15 3.272 -12.935 -10.121 1.00 0.00 C ATOM 176 CD GLU A 15 3.497 -13.881 -11.302 1.00 0.00 C ATOM 177 OE1 GLU A 15 3.852 -15.049 -11.034 1.00 0.00 O ATOM 178 OE2 GLU A 15 3.308 -13.414 -12.446 1.00 0.00 O ATOM 0 H GLU A 15 2.000 -14.575 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 15 2.929 -12.037 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.087 -14.444 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.143 -13.151 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.125 -11.919 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.159 -12.920 -9.488 1.00 0.00 H new ATOM 185 N GLU A 16 -0.344 -12.333 -7.649 1.00 0.00 N ATOM 186 CA GLU A 16 -1.581 -11.580 -7.534 1.00 0.00 C ATOM 187 C GLU A 16 -1.399 -10.404 -6.573 1.00 0.00 C ATOM 188 O GLU A 16 -2.097 -9.396 -6.679 1.00 0.00 O ATOM 189 CB GLU A 16 -2.733 -12.481 -7.086 1.00 0.00 C ATOM 190 CG GLU A 16 -3.488 -13.046 -8.291 1.00 0.00 C ATOM 191 CD GLU A 16 -4.631 -13.959 -7.843 1.00 0.00 C ATOM 192 OE1 GLU A 16 -4.315 -15.032 -7.284 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.795 -13.564 -8.070 1.00 0.00 O ATOM 0 H GLU A 16 -0.451 -13.344 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.835 -11.185 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.345 -13.299 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.419 -11.914 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.885 -12.228 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.800 -13.604 -8.927 1.00 0.00 H new ATOM 200 N ALA A 17 -0.458 -10.571 -5.655 1.00 0.00 N ATOM 201 CA ALA A 17 -0.175 -9.536 -4.675 1.00 0.00 C ATOM 202 C ALA A 17 0.681 -8.446 -5.324 1.00 0.00 C ATOM 203 O ALA A 17 0.279 -7.285 -5.375 1.00 0.00 O ATOM 204 CB ALA A 17 0.503 -10.160 -3.454 1.00 0.00 C ATOM 0 H ALA A 17 0.118 -11.408 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.098 -9.070 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.715 -9.383 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.158 -10.906 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.435 -10.635 -3.759 1.00 0.00 H new ATOM 210 N LYS A 18 1.845 -8.859 -5.804 1.00 0.00 N ATOM 211 CA LYS A 18 2.760 -7.932 -6.447 1.00 0.00 C ATOM 212 C LYS A 18 1.966 -6.965 -7.326 1.00 0.00 C ATOM 213 O LYS A 18 2.374 -5.821 -7.523 1.00 0.00 O ATOM 214 CB LYS A 18 3.852 -8.694 -7.201 1.00 0.00 C ATOM 215 CG LYS A 18 5.241 -8.170 -6.831 1.00 0.00 C ATOM 216 CD LYS A 18 6.313 -9.233 -7.085 1.00 0.00 C ATOM 217 CE LYS A 18 6.855 -9.134 -8.512 1.00 0.00 C ATOM 218 NZ LYS A 18 6.984 -10.481 -9.112 1.00 0.00 N ATOM 0 H LYS A 18 2.175 -9.823 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 18 3.280 -7.331 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.786 -9.757 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.695 -8.593 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.464 -7.277 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.256 -7.877 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.129 -9.109 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.893 -10.225 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.188 -8.521 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.826 -8.638 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.353 -10.396 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.638 -11.054 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.052 -10.941 -9.136 1.00 0.00 H new ATOM 232 N ASN A 19 0.845 -7.459 -7.831 1.00 0.00 N ATOM 233 CA ASN A 19 -0.010 -6.652 -8.685 1.00 0.00 C ATOM 234 C ASN A 19 -0.987 -5.856 -7.816 1.00 0.00 C ATOM 235 O ASN A 19 -1.100 -4.640 -7.958 1.00 0.00 O ATOM 236 CB ASN A 19 -0.829 -7.531 -9.632 1.00 0.00 C ATOM 237 CG ASN A 19 -0.902 -6.912 -11.030 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.707 -5.723 -11.221 1.00 0.00 O ATOM 239 ND2 ASN A 19 -1.192 -7.782 -11.992 1.00 0.00 N ATOM 0 H ASN A 19 0.509 -8.408 -7.665 1.00 0.00 H new ATOM 0 HA ASN A 19 0.627 -5.988 -9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.381 -8.523 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.836 -7.660 -9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.263 -7.467 -12.960 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.343 -8.764 -11.763 1.00 0.00 H new ATOM 246 N LEU A 20 -1.667 -6.576 -6.936 1.00 0.00 N ATOM 247 CA LEU A 20 -2.630 -5.952 -6.044 1.00 0.00 C ATOM 248 C LEU A 20 -1.957 -4.795 -5.303 1.00 0.00 C ATOM 249 O LEU A 20 -2.462 -3.673 -5.307 1.00 0.00 O ATOM 250 CB LEU A 20 -3.255 -6.996 -5.116 1.00 0.00 C ATOM 251 CG LEU A 20 -4.457 -7.758 -5.677 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.123 -8.607 -4.593 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.447 -6.804 -6.347 1.00 0.00 C ATOM 0 H LEU A 20 -1.570 -7.585 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.458 -5.528 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.486 -7.719 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.563 -6.498 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.099 -8.442 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.974 -9.138 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.404 -9.327 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.466 -7.961 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.292 -7.371 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.804 -6.078 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.952 -6.282 -7.166 1.00 0.00 H new ATOM 265 N ALA A 21 -0.827 -5.107 -4.684 1.00 0.00 N ATOM 266 CA ALA A 21 -0.080 -4.107 -3.941 1.00 0.00 C ATOM 267 C ALA A 21 0.108 -2.864 -4.812 1.00 0.00 C ATOM 268 O ALA A 21 -0.474 -1.816 -4.539 1.00 0.00 O ATOM 269 CB ALA A 21 1.252 -4.703 -3.480 1.00 0.00 C ATOM 0 H ALA A 21 -0.411 -6.038 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.628 -3.804 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.813 -3.953 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.063 -5.565 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.830 -5.017 -4.349 1.00 0.00 H new ATOM 275 N GLU A 22 0.923 -3.022 -5.845 1.00 0.00 N ATOM 276 CA GLU A 22 1.195 -1.926 -6.759 1.00 0.00 C ATOM 277 C GLU A 22 -0.099 -1.181 -7.093 1.00 0.00 C ATOM 278 O GLU A 22 -0.250 -0.008 -6.754 1.00 0.00 O ATOM 279 CB GLU A 22 1.883 -2.429 -8.029 1.00 0.00 C ATOM 280 CG GLU A 22 3.083 -1.550 -8.388 1.00 0.00 C ATOM 281 CD GLU A 22 3.013 -1.096 -9.847 1.00 0.00 C ATOM 282 OE1 GLU A 22 2.018 -0.419 -10.184 1.00 0.00 O ATOM 283 OE2 GLU A 22 3.957 -1.436 -10.593 1.00 0.00 O ATOM 0 H GLU A 22 1.404 -3.893 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 22 1.876 -1.230 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.212 -3.458 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.171 -2.434 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.109 -0.679 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.007 -2.103 -8.219 1.00 0.00 H new ATOM 290 N LYS A 23 -1.000 -1.892 -7.755 1.00 0.00 N ATOM 291 CA LYS A 23 -2.275 -1.313 -8.140 1.00 0.00 C ATOM 292 C LYS A 23 -2.800 -0.441 -6.997 1.00 0.00 C ATOM 293 O LYS A 23 -2.973 0.766 -7.162 1.00 0.00 O ATOM 294 CB LYS A 23 -3.251 -2.408 -8.575 1.00 0.00 C ATOM 295 CG LYS A 23 -3.308 -2.516 -10.100 1.00 0.00 C ATOM 296 CD LYS A 23 -4.639 -3.117 -10.558 1.00 0.00 C ATOM 297 CE LYS A 23 -4.426 -4.473 -11.234 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.438 -4.690 -12.291 1.00 0.00 N ATOM 0 H LYS A 23 -0.872 -2.865 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.152 -0.664 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.944 -3.364 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.245 -2.190 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.179 -1.529 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.484 -3.135 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.303 -3.234 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.131 -2.435 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.426 -4.518 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.489 -5.269 -10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.279 -5.615 -12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.389 -4.668 -11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.359 -3.940 -13.007 1.00 0.00 H new ATOM 312 N LEU A 24 -3.037 -1.086 -5.864 1.00 0.00 N ATOM 313 CA LEU A 24 -3.538 -0.384 -4.695 1.00 0.00 C ATOM 314 C LEU A 24 -2.791 0.942 -4.542 1.00 0.00 C ATOM 315 O LEU A 24 -3.359 2.009 -4.770 1.00 0.00 O ATOM 316 CB LEU A 24 -3.459 -1.280 -3.457 1.00 0.00 C ATOM 317 CG LEU A 24 -4.701 -1.301 -2.564 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.884 0.039 -1.849 1.00 0.00 C ATOM 319 CD2 LEU A 24 -5.944 -1.699 -3.362 1.00 0.00 C ATOM 0 H LEU A 24 -2.891 -2.087 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.594 -0.143 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.253 -2.299 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.608 -0.960 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.556 -2.060 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.774 -0.002 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.011 0.243 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.998 0.833 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.812 -1.706 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.105 -0.982 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.802 -2.693 -3.785 1.00 0.00 H new ATOM 331 N ALA A 25 -1.528 0.832 -4.157 1.00 0.00 N ATOM 332 CA ALA A 25 -0.697 2.009 -3.972 1.00 0.00 C ATOM 333 C ALA A 25 -0.893 2.959 -5.155 1.00 0.00 C ATOM 334 O ALA A 25 -1.154 4.146 -4.966 1.00 0.00 O ATOM 335 CB ALA A 25 0.763 1.583 -3.803 1.00 0.00 C ATOM 0 H ALA A 25 -1.060 -0.054 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.988 2.544 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.386 2.467 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.854 0.934 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.090 1.044 -4.692 1.00 0.00 H new ATOM 341 N ARG A 26 -0.761 2.401 -6.349 1.00 0.00 N ATOM 342 CA ARG A 26 -0.921 3.183 -7.563 1.00 0.00 C ATOM 343 C ARG A 26 -2.244 3.951 -7.529 1.00 0.00 C ATOM 344 O ARG A 26 -2.290 5.131 -7.873 1.00 0.00 O ATOM 345 CB ARG A 26 -0.891 2.288 -8.803 1.00 0.00 C ATOM 346 CG ARG A 26 0.235 2.705 -9.752 1.00 0.00 C ATOM 347 CD ARG A 26 -0.319 3.085 -11.127 1.00 0.00 C ATOM 348 NE ARG A 26 0.760 3.040 -12.138 1.00 0.00 N ATOM 349 CZ ARG A 26 0.601 3.384 -13.423 1.00 0.00 C ATOM 350 NH1 ARG A 26 -0.595 3.800 -13.862 1.00 0.00 N ATOM 351 NH2 ARG A 26 1.637 3.312 -14.270 1.00 0.00 N ATOM 0 H ARG A 26 -0.545 1.416 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.090 3.886 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.753 1.249 -8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.848 2.346 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.778 3.550 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.949 1.888 -9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.120 2.401 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.752 4.084 -11.090 1.00 0.00 H new ATOM 0 HE ARG A 26 1.683 2.727 -11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.384 3.855 -13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.716 4.062 -14.840 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.547 2.995 -13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.515 3.574 -15.248 1.00 0.00 H new ATOM 365 N PHE A 27 -3.288 3.250 -7.111 1.00 0.00 N ATOM 366 CA PHE A 27 -4.608 3.851 -7.027 1.00 0.00 C ATOM 367 C PHE A 27 -4.686 4.845 -5.866 1.00 0.00 C ATOM 368 O PHE A 27 -4.955 6.027 -6.073 1.00 0.00 O ATOM 369 CB PHE A 27 -5.602 2.715 -6.778 1.00 0.00 C ATOM 370 CG PHE A 27 -6.940 3.175 -6.196 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.733 4.025 -6.903 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.337 2.734 -4.972 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.975 4.452 -6.363 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.579 3.161 -4.433 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.372 4.011 -5.139 1.00 0.00 C ATOM 0 H PHE A 27 -3.246 2.271 -6.827 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.830 4.391 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.786 2.195 -7.718 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.150 1.993 -6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.418 4.375 -7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.708 2.059 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.604 5.127 -6.924 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.894 2.811 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.316 4.336 -4.728 1.00 0.00 H new ATOM 385 N ILE A 28 -4.446 4.328 -4.670 1.00 0.00 N ATOM 386 CA ILE A 28 -4.485 5.155 -3.476 1.00 0.00 C ATOM 387 C ILE A 28 -3.564 6.362 -3.666 1.00 0.00 C ATOM 388 O ILE A 28 -3.793 7.420 -3.082 1.00 0.00 O ATOM 389 CB ILE A 28 -4.158 4.321 -2.236 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.354 3.464 -1.820 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.665 5.210 -1.092 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.019 2.611 -0.595 1.00 0.00 C ATOM 0 H ILE A 28 -4.224 3.347 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.491 5.544 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.346 3.639 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.206 4.106 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.648 2.818 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.440 4.592 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.765 5.739 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.439 5.932 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.887 2.012 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.182 1.953 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.749 3.260 0.238 1.00 0.00 H new ATOM 404 N ALA A 29 -2.542 6.163 -4.486 1.00 0.00 N ATOM 405 CA ALA A 29 -1.586 7.222 -4.761 1.00 0.00 C ATOM 406 C ALA A 29 -2.225 8.251 -5.695 1.00 0.00 C ATOM 407 O ALA A 29 -1.812 9.409 -5.725 1.00 0.00 O ATOM 408 CB ALA A 29 -0.308 6.617 -5.346 1.00 0.00 C ATOM 0 H ALA A 29 -2.355 5.284 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.311 7.739 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.409 7.411 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.123 5.916 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.544 6.092 -6.272 1.00 0.00 H new ATOM 414 N ASP A 30 -3.223 7.791 -6.435 1.00 0.00 N ATOM 415 CA ASP A 30 -3.924 8.658 -7.368 1.00 0.00 C ATOM 416 C ASP A 30 -4.953 9.495 -6.606 1.00 0.00 C ATOM 417 O ASP A 30 -5.537 10.423 -7.162 1.00 0.00 O ATOM 418 CB ASP A 30 -4.669 7.840 -8.426 1.00 0.00 C ATOM 419 CG ASP A 30 -4.393 8.251 -9.873 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.356 7.796 -10.404 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.224 9.009 -10.417 1.00 0.00 O ATOM 0 H ASP A 30 -3.563 6.830 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.186 9.294 -7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.403 6.790 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.740 7.921 -8.239 1.00 0.00 H new ATOM 426 N GLY A 31 -5.143 9.136 -5.345 1.00 0.00 N ATOM 427 CA GLY A 31 -6.092 9.842 -4.501 1.00 0.00 C ATOM 428 C GLY A 31 -5.369 10.651 -3.421 1.00 0.00 C ATOM 429 O GLY A 31 -4.569 11.532 -3.732 1.00 0.00 O ATOM 0 H GLY A 31 -4.656 8.365 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.702 10.507 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.770 9.128 -4.033 1.00 0.00 H new ATOM 433 N GLY A 32 -5.676 10.322 -2.175 1.00 0.00 N ATOM 434 CA GLY A 32 -5.066 11.006 -1.048 1.00 0.00 C ATOM 435 C GLY A 32 -5.527 10.398 0.278 1.00 0.00 C ATOM 436 O GLY A 32 -5.618 9.178 0.407 1.00 0.00 O ATOM 0 H GLY A 32 -6.340 9.590 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.981 10.942 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.326 12.064 -1.077 1.00 0.00 H new ATOM 440 N PRO A 33 -5.813 11.299 1.255 1.00 0.00 N ATOM 441 CA PRO A 33 -6.262 10.864 2.566 1.00 0.00 C ATOM 442 C PRO A 33 -7.720 10.400 2.520 1.00 0.00 C ATOM 443 O PRO A 33 -8.268 9.964 3.531 1.00 0.00 O ATOM 444 CB PRO A 33 -6.050 12.065 3.473 1.00 0.00 C ATOM 445 CG PRO A 33 -5.929 13.268 2.551 1.00 0.00 C ATOM 446 CD PRO A 33 -5.717 12.752 1.138 1.00 0.00 C ATOM 0 HA PRO A 33 -5.709 10.000 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.885 12.185 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.151 11.944 4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.829 13.881 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.095 13.900 2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.471 13.145 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.745 13.054 0.748 1.00 0.00 H new ATOM 454 N GLU A 34 -8.305 10.509 1.337 1.00 0.00 N ATOM 455 CA GLU A 34 -9.688 10.105 1.146 1.00 0.00 C ATOM 456 C GLU A 34 -9.754 8.672 0.613 1.00 0.00 C ATOM 457 O GLU A 34 -10.510 7.850 1.127 1.00 0.00 O ATOM 458 CB GLU A 34 -10.417 11.072 0.211 1.00 0.00 C ATOM 459 CG GLU A 34 -11.919 10.783 0.186 1.00 0.00 C ATOM 460 CD GLU A 34 -12.653 11.775 -0.718 1.00 0.00 C ATOM 461 OE1 GLU A 34 -12.259 12.961 -0.697 1.00 0.00 O ATOM 462 OE2 GLU A 34 -13.592 11.325 -1.410 1.00 0.00 O ATOM 0 H GLU A 34 -7.847 10.871 0.501 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.192 10.136 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.246 12.098 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.010 10.986 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.092 9.767 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.321 10.841 1.197 1.00 0.00 H new ATOM 469 N VAL A 35 -8.952 8.418 -0.410 1.00 0.00 N ATOM 470 CA VAL A 35 -8.909 7.099 -1.018 1.00 0.00 C ATOM 471 C VAL A 35 -8.424 6.081 0.015 1.00 0.00 C ATOM 472 O VAL A 35 -8.965 4.981 0.110 1.00 0.00 O ATOM 473 CB VAL A 35 -8.043 7.131 -2.279 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.555 7.104 -1.922 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.402 5.980 -3.221 1.00 0.00 C ATOM 0 H VAL A 35 -8.326 9.103 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.906 6.792 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.246 8.066 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.961 7.128 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.312 7.972 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.331 6.193 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.772 6.027 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.242 5.030 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.449 6.063 -3.514 1.00 0.00 H new ATOM 485 N GLU A 36 -7.408 6.484 0.764 1.00 0.00 N ATOM 486 CA GLU A 36 -6.843 5.621 1.787 1.00 0.00 C ATOM 487 C GLU A 36 -7.917 5.231 2.805 1.00 0.00 C ATOM 488 O GLU A 36 -7.721 4.312 3.598 1.00 0.00 O ATOM 489 CB GLU A 36 -5.653 6.293 2.476 1.00 0.00 C ATOM 490 CG GLU A 36 -6.084 6.971 3.778 1.00 0.00 C ATOM 491 CD GLU A 36 -4.894 7.644 4.465 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.004 6.895 4.921 1.00 0.00 O ATOM 493 OE2 GLU A 36 -4.903 8.893 4.519 1.00 0.00 O ATOM 0 H GLU A 36 -6.961 7.397 0.683 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.478 4.713 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.883 5.550 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.210 7.031 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.855 7.713 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.526 6.233 4.448 1.00 0.00 H new ATOM 500 N THR A 37 -9.029 5.950 2.749 1.00 0.00 N ATOM 501 CA THR A 37 -10.134 5.691 3.656 1.00 0.00 C ATOM 502 C THR A 37 -11.106 4.684 3.038 1.00 0.00 C ATOM 503 O THR A 37 -11.260 3.573 3.545 1.00 0.00 O ATOM 504 CB THR A 37 -10.786 7.031 4.001 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.707 7.829 4.481 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.735 6.929 5.197 1.00 0.00 C ATOM 0 H THR A 37 -9.188 6.712 2.089 1.00 0.00 H new ATOM 0 HA THR A 37 -9.787 5.234 4.582 1.00 0.00 H new ATOM 0 HB THR A 37 -11.333 7.403 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.482 8.510 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.171 7.907 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.529 6.217 4.972 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.182 6.590 6.073 1.00 0.00 H new ATOM 514 N ILE A 38 -11.736 5.107 1.952 1.00 0.00 N ATOM 515 CA ILE A 38 -12.688 4.256 1.260 1.00 0.00 C ATOM 516 C ILE A 38 -11.976 2.993 0.771 1.00 0.00 C ATOM 517 O ILE A 38 -12.514 1.892 0.876 1.00 0.00 O ATOM 518 CB ILE A 38 -13.392 5.035 0.147 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.354 6.073 0.728 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.094 4.086 -0.827 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.749 7.477 0.663 1.00 0.00 C ATOM 0 H ILE A 38 -11.605 6.028 1.534 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.476 3.934 1.941 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.636 5.578 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.294 6.052 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.586 5.820 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.586 4.665 -1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.359 3.419 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.837 3.497 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.453 8.196 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.822 7.501 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.541 7.736 -0.375 1.00 0.00 H new ATOM 533 N ALA A 39 -10.776 3.194 0.246 1.00 0.00 N ATOM 534 CA ALA A 39 -9.985 2.086 -0.259 1.00 0.00 C ATOM 535 C ALA A 39 -9.732 1.087 0.872 1.00 0.00 C ATOM 536 O ALA A 39 -9.835 -0.122 0.672 1.00 0.00 O ATOM 537 CB ALA A 39 -8.686 2.620 -0.866 1.00 0.00 C ATOM 0 H ALA A 39 -10.333 4.109 0.160 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.522 1.561 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.092 1.788 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.920 3.301 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.119 3.152 -0.102 1.00 0.00 H new ATOM 543 N LEU A 40 -9.407 1.630 2.036 1.00 0.00 N ATOM 544 CA LEU A 40 -9.139 0.802 3.199 1.00 0.00 C ATOM 545 C LEU A 40 -10.457 0.235 3.730 1.00 0.00 C ATOM 546 O LEU A 40 -10.606 -0.979 3.863 1.00 0.00 O ATOM 547 CB LEU A 40 -8.342 1.587 4.244 1.00 0.00 C ATOM 548 CG LEU A 40 -6.876 1.861 3.902 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.207 2.702 4.991 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.121 0.557 3.639 1.00 0.00 C ATOM 0 H LEU A 40 -9.323 2.633 2.198 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.513 -0.047 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.840 2.542 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.379 1.040 5.186 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.843 2.443 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.166 2.882 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.728 3.655 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.250 2.169 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.082 0.781 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.160 -0.072 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.582 0.032 2.803 1.00 0.00 H new ATOM 562 N GLN A 41 -11.380 1.140 4.020 1.00 0.00 N ATOM 563 CA GLN A 41 -12.681 0.745 4.534 1.00 0.00 C ATOM 564 C GLN A 41 -13.270 -0.378 3.678 1.00 0.00 C ATOM 565 O GLN A 41 -14.019 -1.216 4.178 1.00 0.00 O ATOM 566 CB GLN A 41 -13.632 1.942 4.598 1.00 0.00 C ATOM 567 CG GLN A 41 -14.423 1.944 5.908 1.00 0.00 C ATOM 568 CD GLN A 41 -14.689 3.373 6.385 1.00 0.00 C ATOM 569 OE1 GLN A 41 -13.951 4.300 6.094 1.00 0.00 O ATOM 570 NE2 GLN A 41 -15.783 3.498 7.132 1.00 0.00 N ATOM 0 H GLN A 41 -11.253 2.146 3.909 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.551 0.372 5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.063 2.868 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.320 1.910 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -15.369 1.422 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.869 1.399 6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -16.356 2.680 7.337 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.048 4.412 7.499 1.00 0.00 H new ATOM 579 N ASN A 42 -12.910 -0.360 2.404 1.00 0.00 N ATOM 580 CA ASN A 42 -13.394 -1.366 1.474 1.00 0.00 C ATOM 581 C ASN A 42 -12.521 -2.618 1.585 1.00 0.00 C ATOM 582 O ASN A 42 -13.024 -3.708 1.854 1.00 0.00 O ATOM 583 CB ASN A 42 -13.319 -0.864 0.031 1.00 0.00 C ATOM 584 CG ASN A 42 -14.664 -0.293 -0.422 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.348 -0.842 -1.270 1.00 0.00 O ATOM 586 ND2 ASN A 42 -15.004 0.838 0.190 1.00 0.00 N ATOM 0 H ASN A 42 -12.288 0.336 1.993 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.431 -1.586 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.548 -0.098 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.027 -1.682 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.884 1.299 -0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.385 1.245 0.891 1.00 0.00 H new ATOM 593 N ASN A 43 -11.228 -2.420 1.372 1.00 0.00 N ATOM 594 CA ASN A 43 -10.281 -3.520 1.445 1.00 0.00 C ATOM 595 C ASN A 43 -10.564 -4.349 2.700 1.00 0.00 C ATOM 596 O ASN A 43 -10.282 -5.546 2.734 1.00 0.00 O ATOM 597 CB ASN A 43 -8.844 -3.004 1.534 1.00 0.00 C ATOM 598 CG ASN A 43 -8.360 -2.492 0.176 1.00 0.00 C ATOM 599 OD1 ASN A 43 -8.611 -3.080 -0.864 1.00 0.00 O ATOM 600 ND2 ASN A 43 -7.655 -1.366 0.242 1.00 0.00 N ATOM 0 H ASN A 43 -10.814 -1.515 1.149 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.393 -4.122 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.787 -2.202 2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.188 -3.803 1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.288 -0.943 -0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.481 -0.925 1.145 1.00 0.00 H new ATOM 607 N ARG A 44 -11.118 -3.680 3.700 1.00 0.00 N ATOM 608 CA ARG A 44 -11.443 -4.339 4.953 1.00 0.00 C ATOM 609 C ARG A 44 -12.267 -5.601 4.691 1.00 0.00 C ATOM 610 O ARG A 44 -11.990 -6.657 5.258 1.00 0.00 O ATOM 611 CB ARG A 44 -12.229 -3.408 5.879 1.00 0.00 C ATOM 612 CG ARG A 44 -11.286 -2.504 6.675 1.00 0.00 C ATOM 613 CD ARG A 44 -11.209 -2.946 8.138 1.00 0.00 C ATOM 614 NE ARG A 44 -10.441 -1.956 8.926 1.00 0.00 N ATOM 615 CZ ARG A 44 -10.956 -0.815 9.404 1.00 0.00 C ATOM 616 NH1 ARG A 44 -12.242 -0.513 9.178 1.00 0.00 N ATOM 617 NH2 ARG A 44 -10.185 0.024 10.109 1.00 0.00 N ATOM 0 H ARG A 44 -11.350 -2.687 3.668 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.505 -4.607 5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.914 -2.797 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.837 -3.999 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.291 -2.529 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.633 -1.472 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.213 -3.050 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.734 -3.925 8.206 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.459 -2.155 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.829 -1.152 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.633 0.356 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.206 -0.206 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.577 0.893 10.473 1.00 0.00 H new ATOM 631 N GLU A 45 -13.263 -5.451 3.831 1.00 0.00 N ATOM 632 CA GLU A 45 -14.130 -6.565 3.486 1.00 0.00 C ATOM 633 C GLU A 45 -13.369 -7.586 2.637 1.00 0.00 C ATOM 634 O GLU A 45 -13.525 -8.792 2.822 1.00 0.00 O ATOM 635 CB GLU A 45 -15.388 -6.079 2.764 1.00 0.00 C ATOM 636 CG GLU A 45 -16.402 -5.505 3.755 1.00 0.00 C ATOM 637 CD GLU A 45 -17.607 -4.911 3.024 1.00 0.00 C ATOM 638 OE1 GLU A 45 -18.147 -5.621 2.148 1.00 0.00 O ATOM 639 OE2 GLU A 45 -17.962 -3.759 3.358 1.00 0.00 O ATOM 0 H GLU A 45 -13.489 -4.574 3.362 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.447 -7.052 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.120 -5.318 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.839 -6.906 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.735 -6.289 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.926 -4.736 4.364 1.00 0.00 H new ATOM 646 N ASN A 46 -12.564 -7.065 1.723 1.00 0.00 N ATOM 647 CA ASN A 46 -11.779 -7.915 0.845 1.00 0.00 C ATOM 648 C ASN A 46 -10.740 -8.675 1.672 1.00 0.00 C ATOM 649 O ASN A 46 -10.115 -8.106 2.565 1.00 0.00 O ATOM 650 CB ASN A 46 -11.034 -7.086 -0.203 1.00 0.00 C ATOM 651 CG ASN A 46 -12.010 -6.446 -1.192 1.00 0.00 C ATOM 652 OD1 ASN A 46 -13.024 -5.877 -0.822 1.00 0.00 O ATOM 653 ND2 ASN A 46 -11.649 -6.570 -2.466 1.00 0.00 N ATOM 0 H ASN A 46 -12.439 -6.064 1.572 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.461 -8.602 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.450 -6.309 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.330 -7.721 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.234 -6.176 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.787 -7.059 -2.706 1.00 0.00 H new ATOM 660 N GLN A 47 -10.589 -9.950 1.346 1.00 0.00 N ATOM 661 CA GLN A 47 -9.637 -10.795 2.048 1.00 0.00 C ATOM 662 C GLN A 47 -8.281 -10.767 1.340 1.00 0.00 C ATOM 663 O GLN A 47 -7.249 -10.558 1.976 1.00 0.00 O ATOM 664 CB GLN A 47 -10.161 -12.226 2.172 1.00 0.00 C ATOM 665 CG GLN A 47 -10.184 -12.677 3.634 1.00 0.00 C ATOM 666 CD GLN A 47 -10.156 -14.203 3.738 1.00 0.00 C ATOM 667 OE1 GLN A 47 -11.136 -14.886 3.489 1.00 0.00 O ATOM 668 NE2 GLN A 47 -8.981 -14.698 4.118 1.00 0.00 N ATOM 0 H GLN A 47 -11.110 -10.419 0.605 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.507 -10.403 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.165 -12.287 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.532 -12.899 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.327 -12.257 4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.079 -12.292 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.201 -14.069 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.860 -15.706 4.216 1.00 0.00 H new ATOM 677 N ALA A 48 -8.326 -10.981 0.033 1.00 0.00 N ATOM 678 CA ALA A 48 -7.114 -10.983 -0.768 1.00 0.00 C ATOM 679 C ALA A 48 -6.206 -9.839 -0.313 1.00 0.00 C ATOM 680 O ALA A 48 -5.008 -10.034 -0.112 1.00 0.00 O ATOM 681 CB ALA A 48 -7.480 -10.883 -2.250 1.00 0.00 C ATOM 0 H ALA A 48 -9.184 -11.154 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.565 -11.915 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.570 -10.885 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.101 -11.734 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.030 -9.959 -2.427 1.00 0.00 H new ATOM 687 N PHE A 49 -6.810 -8.669 -0.165 1.00 0.00 N ATOM 688 CA PHE A 49 -6.071 -7.493 0.262 1.00 0.00 C ATOM 689 C PHE A 49 -5.671 -7.602 1.734 1.00 0.00 C ATOM 690 O PHE A 49 -6.077 -6.779 2.554 1.00 0.00 O ATOM 691 CB PHE A 49 -7.001 -6.292 0.085 1.00 0.00 C ATOM 692 CG PHE A 49 -7.111 -5.796 -1.358 1.00 0.00 C ATOM 693 CD1 PHE A 49 -6.019 -5.283 -1.986 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.301 -5.869 -2.013 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.122 -4.823 -3.326 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.403 -5.410 -3.353 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.311 -4.896 -3.981 1.00 0.00 C ATOM 0 H PHE A 49 -7.803 -8.510 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.160 -7.391 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.995 -6.560 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.646 -5.475 0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.074 -5.225 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.168 -6.276 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.255 -4.415 -3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.347 -5.469 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.389 -4.546 -5.000 1.00 0.00 H new ATOM 707 N SER A 50 -4.879 -8.624 2.026 1.00 0.00 N ATOM 708 CA SER A 50 -4.420 -8.850 3.385 1.00 0.00 C ATOM 709 C SER A 50 -3.042 -8.215 3.585 1.00 0.00 C ATOM 710 O SER A 50 -2.704 -7.793 4.690 1.00 0.00 O ATOM 711 CB SER A 50 -4.366 -10.345 3.707 1.00 0.00 C ATOM 712 OG SER A 50 -3.760 -11.095 2.658 1.00 0.00 O ATOM 0 H SER A 50 -4.544 -9.304 1.344 1.00 0.00 H new ATOM 0 HA SER A 50 -5.131 -8.384 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.808 -10.497 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.376 -10.715 3.881 1.00 0.00 H new ATOM 0 HG SER A 50 -3.743 -12.044 2.902 1.00 0.00 H new ATOM 718 N PHE A 51 -2.285 -8.166 2.499 1.00 0.00 N ATOM 719 CA PHE A 51 -0.952 -7.590 2.541 1.00 0.00 C ATOM 720 C PHE A 51 -0.998 -6.137 3.019 1.00 0.00 C ATOM 721 O PHE A 51 0.027 -5.570 3.393 1.00 0.00 O ATOM 722 CB PHE A 51 -0.403 -7.627 1.114 1.00 0.00 C ATOM 723 CG PHE A 51 -1.081 -6.642 0.160 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.658 -5.350 0.103 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.107 -7.057 -0.631 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.288 -4.436 -0.783 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.736 -6.143 -1.516 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.314 -4.851 -1.573 1.00 0.00 C ATOM 0 H PHE A 51 -2.570 -8.516 1.584 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.325 -8.153 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.665 -7.413 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.516 -8.636 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.156 -5.020 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.443 -8.082 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.952 -3.411 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.550 -6.473 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.794 -4.155 -2.245 1.00 0.00 H new ATOM 738 N LEU A 52 -2.199 -5.576 2.991 1.00 0.00 N ATOM 739 CA LEU A 52 -2.392 -4.200 3.417 1.00 0.00 C ATOM 740 C LEU A 52 -2.314 -4.127 4.943 1.00 0.00 C ATOM 741 O LEU A 52 -1.894 -3.114 5.499 1.00 0.00 O ATOM 742 CB LEU A 52 -3.693 -3.639 2.840 1.00 0.00 C ATOM 743 CG LEU A 52 -3.653 -3.234 1.365 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.066 -3.043 0.810 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.784 -1.992 1.161 1.00 0.00 C ATOM 0 H LEU A 52 -3.047 -6.049 2.680 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.597 -3.565 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.477 -4.385 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.982 -2.768 3.428 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.193 -4.045 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.009 -2.755 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.622 -3.976 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.575 -2.261 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.773 -1.726 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.192 -1.163 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.767 -2.201 1.494 1.00 0.00 H new ATOM 757 N TYR A 53 -2.726 -5.215 5.577 1.00 0.00 N ATOM 758 CA TYR A 53 -2.708 -5.287 7.028 1.00 0.00 C ATOM 759 C TYR A 53 -1.506 -6.094 7.523 1.00 0.00 C ATOM 760 O TYR A 53 -0.644 -5.564 8.223 1.00 0.00 O ATOM 761 CB TYR A 53 -3.994 -6.013 7.430 1.00 0.00 C ATOM 762 CG TYR A 53 -5.198 -5.683 6.546 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.545 -4.367 6.318 1.00 0.00 C ATOM 764 CD2 TYR A 53 -5.936 -6.700 5.977 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.678 -4.055 5.485 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.069 -6.389 5.145 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.385 -5.082 4.940 1.00 0.00 C ATOM 768 OH TYR A 53 -8.455 -4.788 4.154 1.00 0.00 O ATOM 0 H TYR A 53 -3.074 -6.054 5.112 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.638 -4.289 7.460 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.817 -7.088 7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.234 -5.760 8.463 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.967 -3.571 6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.664 -7.730 6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.960 -3.029 5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.655 -7.176 4.694 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.863 -5.619 3.833 1.00 0.00 H new ATOM 778 N ASP A 54 -1.485 -7.362 7.139 1.00 0.00 N ATOM 779 CA ASP A 54 -0.403 -8.246 7.534 1.00 0.00 C ATOM 780 C ASP A 54 0.937 -7.571 7.235 1.00 0.00 C ATOM 781 O ASP A 54 1.341 -7.470 6.077 1.00 0.00 O ATOM 782 CB ASP A 54 -0.453 -9.562 6.755 1.00 0.00 C ATOM 783 CG ASP A 54 -0.983 -10.761 7.544 1.00 0.00 C ATOM 784 OD1 ASP A 54 -1.276 -10.566 8.743 1.00 0.00 O ATOM 785 OD2 ASP A 54 -1.083 -11.845 6.930 1.00 0.00 O ATOM 0 H ASP A 54 -2.201 -7.798 6.558 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.510 -8.453 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.078 -9.421 5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.551 -9.795 6.400 1.00 0.00 H new ATOM 790 N PRO A 55 1.607 -7.113 8.326 1.00 0.00 N ATOM 791 CA PRO A 55 2.893 -6.450 8.192 1.00 0.00 C ATOM 792 C PRO A 55 4.002 -7.460 7.892 1.00 0.00 C ATOM 793 O PRO A 55 4.797 -7.260 6.975 1.00 0.00 O ATOM 794 CB PRO A 55 3.097 -5.717 9.508 1.00 0.00 C ATOM 795 CG PRO A 55 2.147 -6.369 10.499 1.00 0.00 C ATOM 796 CD PRO A 55 1.160 -7.215 9.712 1.00 0.00 C ATOM 0 HA PRO A 55 2.921 -5.753 7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.130 -5.800 9.845 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.881 -4.654 9.401 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.699 -6.987 11.207 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.622 -5.611 11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.164 -8.250 10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.141 -6.845 9.828 1.00 0.00 H new ATOM 804 N ASN A 56 4.020 -8.524 8.682 1.00 0.00 N ATOM 805 CA ASN A 56 5.018 -9.565 8.512 1.00 0.00 C ATOM 806 C ASN A 56 5.149 -9.903 7.026 1.00 0.00 C ATOM 807 O ASN A 56 6.220 -10.298 6.567 1.00 0.00 O ATOM 808 CB ASN A 56 4.614 -10.842 9.253 1.00 0.00 C ATOM 809 CG ASN A 56 5.573 -11.132 10.408 1.00 0.00 C ATOM 810 OD1 ASN A 56 5.915 -10.268 11.198 1.00 0.00 O ATOM 811 ND2 ASN A 56 5.988 -12.395 10.463 1.00 0.00 N ATOM 0 H ASN A 56 3.359 -8.687 9.441 1.00 0.00 H new ATOM 0 HA ASN A 56 5.961 -9.196 8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.599 -10.739 9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.609 -11.683 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.631 -12.689 11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.663 -13.069 9.770 1.00 0.00 H new ATOM 818 N SER A 57 4.044 -9.735 6.314 1.00 0.00 N ATOM 819 CA SER A 57 4.023 -10.017 4.888 1.00 0.00 C ATOM 820 C SER A 57 4.769 -8.920 4.126 1.00 0.00 C ATOM 821 O SER A 57 4.452 -7.739 4.262 1.00 0.00 O ATOM 822 CB SER A 57 2.587 -10.139 4.373 1.00 0.00 C ATOM 823 OG SER A 57 2.077 -8.890 3.914 1.00 0.00 O ATOM 0 H SER A 57 3.157 -9.407 6.697 1.00 0.00 H new ATOM 0 HA SER A 57 4.523 -10.971 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.554 -10.865 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.948 -10.521 5.169 1.00 0.00 H new ATOM 0 HG SER A 57 1.948 -8.289 4.677 1.00 0.00 H new ATOM 829 N GLN A 58 5.746 -9.349 3.342 1.00 0.00 N ATOM 830 CA GLN A 58 6.540 -8.418 2.558 1.00 0.00 C ATOM 831 C GLN A 58 5.635 -7.580 1.653 1.00 0.00 C ATOM 832 O GLN A 58 6.014 -6.489 1.229 1.00 0.00 O ATOM 833 CB GLN A 58 7.602 -9.156 1.740 1.00 0.00 C ATOM 834 CG GLN A 58 8.990 -8.984 2.361 1.00 0.00 C ATOM 835 CD GLN A 58 9.668 -10.340 2.572 1.00 0.00 C ATOM 836 OE1 GLN A 58 9.027 -11.370 2.703 1.00 0.00 O ATOM 837 NE2 GLN A 58 10.996 -10.282 2.598 1.00 0.00 N ATOM 0 H GLN A 58 6.006 -10.329 3.232 1.00 0.00 H new ATOM 0 HA GLN A 58 7.058 -7.747 3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.353 -10.216 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.607 -8.777 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.607 -8.361 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.904 -8.464 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.470 -9.386 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.541 -11.133 2.734 1.00 0.00 H new ATOM 846 N GLY A 59 4.456 -8.121 1.384 1.00 0.00 N ATOM 847 CA GLY A 59 3.495 -7.437 0.536 1.00 0.00 C ATOM 848 C GLY A 59 3.178 -6.043 1.082 1.00 0.00 C ATOM 849 O GLY A 59 3.064 -5.085 0.319 1.00 0.00 O ATOM 0 H GLY A 59 4.144 -9.025 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.892 -7.354 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.579 -8.024 0.472 1.00 0.00 H new ATOM 853 N TYR A 60 3.044 -5.974 2.398 1.00 0.00 N ATOM 854 CA TYR A 60 2.743 -4.713 3.055 1.00 0.00 C ATOM 855 C TYR A 60 3.847 -3.685 2.800 1.00 0.00 C ATOM 856 O TYR A 60 3.566 -2.502 2.609 1.00 0.00 O ATOM 857 CB TYR A 60 2.685 -5.021 4.552 1.00 0.00 C ATOM 858 CG TYR A 60 2.508 -3.784 5.435 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.251 -3.247 5.627 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.605 -3.205 6.040 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.084 -2.083 6.458 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.438 -2.040 6.871 1.00 0.00 C ATOM 863 CZ TYR A 60 2.185 -1.537 7.039 1.00 0.00 C ATOM 864 OH TYR A 60 2.027 -0.438 7.824 1.00 0.00 O ATOM 0 H TYR A 60 3.138 -6.771 3.028 1.00 0.00 H new ATOM 0 HA TYR A 60 1.809 -4.297 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.861 -5.709 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.602 -5.534 4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.392 -3.700 5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.589 -3.625 5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.106 -1.653 6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.288 -1.577 7.350 1.00 0.00 H new ATOM 0 HH TYR A 60 2.899 -0.158 8.173 1.00 0.00 H new ATOM 874 N ARG A 61 5.078 -4.172 2.804 1.00 0.00 N ATOM 875 CA ARG A 61 6.226 -3.310 2.575 1.00 0.00 C ATOM 876 C ARG A 61 6.231 -2.807 1.130 1.00 0.00 C ATOM 877 O ARG A 61 6.009 -1.623 0.881 1.00 0.00 O ATOM 878 CB ARG A 61 7.535 -4.050 2.855 1.00 0.00 C ATOM 879 CG ARG A 61 7.717 -4.294 4.355 1.00 0.00 C ATOM 880 CD ARG A 61 8.903 -5.223 4.619 1.00 0.00 C ATOM 881 NE ARG A 61 8.877 -5.691 6.023 1.00 0.00 N ATOM 882 CZ ARG A 61 9.688 -6.637 6.515 1.00 0.00 C ATOM 883 NH1 ARG A 61 10.595 -7.221 5.721 1.00 0.00 N ATOM 884 NH2 ARG A 61 9.593 -6.998 7.802 1.00 0.00 N ATOM 0 H ARG A 61 5.307 -5.153 2.962 1.00 0.00 H new ATOM 0 HA ARG A 61 6.148 -2.464 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.539 -5.002 2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.374 -3.469 2.473 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.874 -3.344 4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.808 -4.732 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.865 -6.076 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.838 -4.699 4.419 1.00 0.00 H new ATOM 0 HE ARG A 61 8.199 -5.267 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.668 -6.945 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.212 -7.941 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.903 -6.553 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.210 -7.718 8.177 1.00 0.00 H new ATOM 898 N TYR A 62 6.488 -3.731 0.216 1.00 0.00 N ATOM 899 CA TYR A 62 6.526 -3.396 -1.197 1.00 0.00 C ATOM 900 C TYR A 62 5.367 -2.469 -1.572 1.00 0.00 C ATOM 901 O TYR A 62 5.513 -1.605 -2.435 1.00 0.00 O ATOM 902 CB TYR A 62 6.369 -4.719 -1.949 1.00 0.00 C ATOM 903 CG TYR A 62 5.910 -4.560 -3.400 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.616 -4.165 -3.675 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.789 -4.811 -4.433 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.184 -4.015 -5.040 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.357 -4.661 -5.799 1.00 0.00 C ATOM 908 CZ TYR A 62 5.076 -4.271 -6.035 1.00 0.00 C ATOM 909 OH TYR A 62 4.668 -4.129 -7.324 1.00 0.00 O ATOM 0 H TYR A 62 6.672 -4.712 0.427 1.00 0.00 H new ATOM 0 HA TYR A 62 7.455 -2.882 -1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.322 -5.248 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.651 -5.344 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.928 -3.969 -2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.801 -5.120 -4.218 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.175 -3.706 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.035 -4.854 -6.617 1.00 0.00 H new ATOM 0 HH TYR A 62 3.905 -4.720 -7.493 1.00 0.00 H new ATOM 919 N TYR A 63 4.243 -2.681 -0.905 1.00 0.00 N ATOM 920 CA TYR A 63 3.060 -1.876 -1.157 1.00 0.00 C ATOM 921 C TYR A 63 3.293 -0.418 -0.755 1.00 0.00 C ATOM 922 O TYR A 63 3.080 0.492 -1.555 1.00 0.00 O ATOM 923 CB TYR A 63 1.954 -2.464 -0.278 1.00 0.00 C ATOM 924 CG TYR A 63 0.849 -1.469 0.081 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.150 -1.189 -0.830 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.851 -0.851 1.315 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.190 -0.252 -0.492 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.190 0.085 1.653 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.159 0.339 0.733 1.00 0.00 C ATOM 930 OH TYR A 63 -2.141 1.224 1.052 1.00 0.00 O ATOM 0 H TYR A 63 4.126 -3.399 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 63 2.804 -1.891 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.509 -3.315 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.399 -2.845 0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.151 -1.673 -1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.633 -1.069 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.977 -0.024 -1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.201 0.574 2.616 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.991 1.566 1.958 1.00 0.00 H new ATOM 940 N ARG A 64 3.727 -0.242 0.485 1.00 0.00 N ATOM 941 CA ARG A 64 3.991 1.090 1.003 1.00 0.00 C ATOM 942 C ARG A 64 5.004 1.814 0.114 1.00 0.00 C ATOM 943 O ARG A 64 4.778 2.954 -0.290 1.00 0.00 O ATOM 944 CB ARG A 64 4.530 1.028 2.433 1.00 0.00 C ATOM 945 CG ARG A 64 3.394 1.127 3.452 1.00 0.00 C ATOM 946 CD ARG A 64 3.420 2.477 4.173 1.00 0.00 C ATOM 947 NE ARG A 64 4.682 2.621 4.932 1.00 0.00 N ATOM 948 CZ ARG A 64 5.079 3.757 5.521 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.314 4.855 5.443 1.00 0.00 N ATOM 950 NH2 ARG A 64 6.240 3.795 6.189 1.00 0.00 N ATOM 0 H ARG A 64 3.902 -0.999 1.146 1.00 0.00 H new ATOM 0 HA ARG A 64 3.048 1.637 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.075 0.095 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.239 1.840 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.436 0.998 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.482 0.320 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.327 3.287 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.569 2.554 4.849 1.00 0.00 H new ATOM 0 HE ARG A 64 5.288 1.804 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.430 4.826 4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.616 5.720 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.821 2.959 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.542 4.660 6.637 1.00 0.00 H new ATOM 964 N GLN A 65 6.099 1.122 -0.165 1.00 0.00 N ATOM 965 CA GLN A 65 7.148 1.685 -0.999 1.00 0.00 C ATOM 966 C GLN A 65 6.541 2.369 -2.225 1.00 0.00 C ATOM 967 O GLN A 65 6.790 3.549 -2.469 1.00 0.00 O ATOM 968 CB GLN A 65 8.155 0.610 -1.413 1.00 0.00 C ATOM 969 CG GLN A 65 9.547 1.211 -1.614 1.00 0.00 C ATOM 970 CD GLN A 65 10.290 0.506 -2.750 1.00 0.00 C ATOM 971 OE1 GLN A 65 9.871 0.508 -3.896 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.415 -0.094 -2.371 1.00 0.00 N ATOM 0 H GLN A 65 6.283 0.177 0.171 1.00 0.00 H new ATOM 0 HA GLN A 65 7.685 2.435 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.197 -0.167 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.824 0.133 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.459 2.274 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.121 1.125 -0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.709 -0.057 -1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.984 -0.591 -3.056 1.00 0.00 H new ATOM 981 N LYS A 66 5.756 1.600 -2.965 1.00 0.00 N ATOM 982 CA LYS A 66 5.112 2.118 -4.160 1.00 0.00 C ATOM 983 C LYS A 66 4.351 3.398 -3.810 1.00 0.00 C ATOM 984 O LYS A 66 4.403 4.378 -4.552 1.00 0.00 O ATOM 985 CB LYS A 66 4.238 1.041 -4.807 1.00 0.00 C ATOM 986 CG LYS A 66 5.094 0.024 -5.565 1.00 0.00 C ATOM 987 CD LYS A 66 5.646 0.627 -6.858 1.00 0.00 C ATOM 988 CE LYS A 66 6.363 -0.435 -7.695 1.00 0.00 C ATOM 989 NZ LYS A 66 7.765 -0.589 -7.246 1.00 0.00 N ATOM 0 H LYS A 66 5.551 0.622 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 66 5.857 2.384 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.655 0.531 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.528 1.506 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.918 -0.306 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.497 -0.858 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.832 1.063 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.337 1.436 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.841 -1.388 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.341 -0.153 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.237 -1.313 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.264 0.317 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.780 -0.879 -6.247 1.00 0.00 H new ATOM 1003 N LEU A 67 3.661 3.349 -2.679 1.00 0.00 N ATOM 1004 CA LEU A 67 2.891 4.492 -2.222 1.00 0.00 C ATOM 1005 C LEU A 67 3.816 5.702 -2.082 1.00 0.00 C ATOM 1006 O LEU A 67 3.616 6.721 -2.741 1.00 0.00 O ATOM 1007 CB LEU A 67 2.130 4.148 -0.940 1.00 0.00 C ATOM 1008 CG LEU A 67 0.803 4.879 -0.730 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.144 4.646 -1.910 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.164 4.485 0.603 1.00 0.00 C ATOM 0 H LEU A 67 3.620 2.535 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 67 2.130 4.756 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.936 3.075 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.777 4.360 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 67 1.006 5.949 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.080 5.177 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.318 5.016 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.345 3.579 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.778 5.019 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.024 3.411 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.838 4.743 1.420 1.00 0.00 H new ATOM 1022 N ASP A 68 4.810 5.550 -1.219 1.00 0.00 N ATOM 1023 CA ASP A 68 5.767 6.618 -0.984 1.00 0.00 C ATOM 1024 C ASP A 68 6.380 7.050 -2.317 1.00 0.00 C ATOM 1025 O ASP A 68 6.750 8.211 -2.487 1.00 0.00 O ATOM 1026 CB ASP A 68 6.903 6.148 -0.072 1.00 0.00 C ATOM 1027 CG ASP A 68 7.506 7.234 0.821 1.00 0.00 C ATOM 1028 OD1 ASP A 68 7.858 8.296 0.264 1.00 0.00 O ATOM 1029 OD2 ASP A 68 7.601 6.978 2.041 1.00 0.00 O ATOM 0 H ASP A 68 4.973 4.703 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 68 5.240 7.445 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.531 5.343 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.695 5.726 -0.691 1.00 0.00 H new ATOM 1034 N GLU A 69 6.467 6.094 -3.230 1.00 0.00 N ATOM 1035 CA GLU A 69 7.028 6.362 -4.543 1.00 0.00 C ATOM 1036 C GLU A 69 6.037 7.163 -5.391 1.00 0.00 C ATOM 1037 O GLU A 69 6.251 8.346 -5.649 1.00 0.00 O ATOM 1038 CB GLU A 69 7.425 5.062 -5.246 1.00 0.00 C ATOM 1039 CG GLU A 69 7.557 5.273 -6.755 1.00 0.00 C ATOM 1040 CD GLU A 69 8.705 6.232 -7.077 1.00 0.00 C ATOM 1041 OE1 GLU A 69 8.489 7.452 -6.910 1.00 0.00 O ATOM 1042 OE2 GLU A 69 9.772 5.724 -7.483 1.00 0.00 O ATOM 0 H GLU A 69 6.158 5.133 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 69 7.932 6.958 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.370 4.700 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.678 4.294 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.730 4.315 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.624 5.671 -7.153 1.00 0.00 H new ATOM 1049 N PHE A 70 4.975 6.485 -5.799 1.00 0.00 N ATOM 1050 CA PHE A 70 3.950 7.119 -6.612 1.00 0.00 C ATOM 1051 C PHE A 70 3.548 8.475 -6.028 1.00 0.00 C ATOM 1052 O PHE A 70 3.630 9.497 -6.708 1.00 0.00 O ATOM 1053 CB PHE A 70 2.734 6.191 -6.602 1.00 0.00 C ATOM 1054 CG PHE A 70 2.916 4.917 -7.429 1.00 0.00 C ATOM 1055 CD1 PHE A 70 3.528 4.975 -8.642 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.466 3.726 -6.951 1.00 0.00 C ATOM 1057 CE1 PHE A 70 3.697 3.793 -9.409 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.636 2.543 -7.718 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.248 2.601 -8.931 1.00 0.00 C ATOM 0 H PHE A 70 4.801 5.503 -5.582 1.00 0.00 H new ATOM 0 HA PHE A 70 4.326 7.286 -7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.510 5.914 -5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.870 6.737 -6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.885 5.921 -9.022 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.979 3.680 -5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.182 3.840 -10.373 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.279 1.597 -7.338 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.378 1.701 -9.514 1.00 0.00 H new ATOM 1069 N ARG A 71 3.121 8.440 -4.774 1.00 0.00 N ATOM 1070 CA ARG A 71 2.705 9.653 -4.091 1.00 0.00 C ATOM 1071 C ARG A 71 3.630 10.814 -4.462 1.00 0.00 C ATOM 1072 O ARG A 71 3.176 11.832 -4.983 1.00 0.00 O ATOM 1073 CB ARG A 71 2.721 9.463 -2.573 1.00 0.00 C ATOM 1074 CG ARG A 71 1.461 8.734 -2.099 1.00 0.00 C ATOM 1075 CD ARG A 71 1.439 8.613 -0.574 1.00 0.00 C ATOM 1076 NE ARG A 71 0.045 8.479 -0.097 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.345 8.718 1.163 1.00 0.00 C ATOM 1078 NH1 ARG A 71 0.553 9.105 2.079 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -1.632 8.570 1.505 1.00 0.00 N ATOM 0 H ARG A 71 3.054 7.591 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 71 1.687 9.879 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.605 8.895 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.791 10.434 -2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.576 9.273 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.421 7.741 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.024 7.748 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.903 9.491 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.664 8.186 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.532 9.218 1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.257 9.287 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.315 8.276 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.929 8.752 2.464 1.00 0.00 H new ATOM 1093 N LYS A 72 4.910 10.623 -4.179 1.00 0.00 N ATOM 1094 CA LYS A 72 5.902 11.642 -4.477 1.00 0.00 C ATOM 1095 C LYS A 72 5.372 13.008 -4.038 1.00 0.00 C ATOM 1096 O LYS A 72 4.763 13.725 -4.831 1.00 0.00 O ATOM 1097 CB LYS A 72 6.305 11.583 -5.952 1.00 0.00 C ATOM 1098 CG LYS A 72 7.613 10.811 -6.133 1.00 0.00 C ATOM 1099 CD LYS A 72 8.819 11.750 -6.060 1.00 0.00 C ATOM 1100 CE LYS A 72 9.188 12.277 -7.449 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.936 13.733 -7.535 1.00 0.00 N ATOM 0 H LYS A 72 5.283 9.778 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 72 6.817 11.459 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.514 11.105 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.419 12.594 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.697 10.045 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.606 10.297 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.594 12.586 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.670 11.222 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.238 12.071 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.606 11.756 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.192 14.074 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.929 13.922 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.511 14.227 -6.823 1.00 0.00 H new ATOM 1115 N SER A 73 5.622 13.327 -2.777 1.00 0.00 N ATOM 1116 CA SER A 73 5.177 14.595 -2.223 1.00 0.00 C ATOM 1117 C SER A 73 3.652 14.695 -2.304 1.00 0.00 C ATOM 1118 O SER A 73 3.088 14.765 -3.395 1.00 0.00 O ATOM 1119 CB SER A 73 5.825 15.773 -2.953 1.00 0.00 C ATOM 1120 OG SER A 73 6.459 16.676 -2.051 1.00 0.00 O ATOM 0 H SER A 73 6.127 12.730 -2.123 1.00 0.00 H new ATOM 0 HA SER A 73 5.483 14.637 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.559 15.398 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.066 16.306 -3.526 1.00 0.00 H new ATOM 0 HG SER A 73 6.862 17.413 -2.555 1.00 0.00 H new ATOM 1126 N GLY A 74 3.028 14.698 -1.135 1.00 0.00 N ATOM 1127 CA GLY A 74 1.580 14.788 -1.060 1.00 0.00 C ATOM 1128 C GLY A 74 1.145 16.100 -0.404 1.00 0.00 C ATOM 1129 O GLY A 74 1.923 17.050 -0.334 1.00 0.00 O ATOM 0 H GLY A 74 3.499 14.640 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.156 14.720 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.189 13.945 -0.490 1.00 0.00 H new ATOM 1133 N PRO A 75 -0.128 16.110 0.073 1.00 0.00 N ATOM 1134 CA PRO A 75 -0.675 17.289 0.721 1.00 0.00 C ATOM 1135 C PRO A 75 -0.109 17.452 2.133 1.00 0.00 C ATOM 1136 O PRO A 75 0.176 18.567 2.567 1.00 0.00 O ATOM 1137 CB PRO A 75 -2.181 17.084 0.706 1.00 0.00 C ATOM 1138 CG PRO A 75 -2.397 15.597 0.472 1.00 0.00 C ATOM 1139 CD PRO A 75 -1.077 15.002 0.008 1.00 0.00 C ATOM 0 HA PRO A 75 -0.407 18.212 0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.628 17.400 1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.648 17.675 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.734 15.111 1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.172 15.437 -0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.767 14.177 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.155 14.606 -1.005 1.00 0.00 H new ATOM 1147 N SER A 76 0.039 16.323 2.811 1.00 0.00 N ATOM 1148 CA SER A 76 0.566 16.326 4.165 1.00 0.00 C ATOM 1149 C SER A 76 2.044 15.929 4.151 1.00 0.00 C ATOM 1150 O SER A 76 2.410 14.905 3.577 1.00 0.00 O ATOM 1151 CB SER A 76 -0.229 15.381 5.068 1.00 0.00 C ATOM 1152 OG SER A 76 0.103 15.551 6.443 1.00 0.00 O ATOM 0 H SER A 76 -0.197 15.400 2.448 1.00 0.00 H new ATOM 0 HA SER A 76 0.470 17.334 4.567 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.295 15.558 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.035 14.350 4.773 1.00 0.00 H new ATOM 0 HG SER A 76 -0.427 14.931 6.987 1.00 0.00 H new ATOM 1158 N SER A 77 2.853 16.761 4.791 1.00 0.00 N ATOM 1159 CA SER A 77 4.282 16.509 4.860 1.00 0.00 C ATOM 1160 C SER A 77 4.936 17.476 5.850 1.00 0.00 C ATOM 1161 O SER A 77 4.973 18.682 5.613 1.00 0.00 O ATOM 1162 CB SER A 77 4.932 16.642 3.481 1.00 0.00 C ATOM 1163 OG SER A 77 5.967 15.683 3.284 1.00 0.00 O ATOM 0 H SER A 77 2.546 17.610 5.266 1.00 0.00 H new ATOM 0 HA SER A 77 4.433 15.486 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.172 16.519 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.342 17.646 3.369 1.00 0.00 H new ATOM 0 HG SER A 77 6.355 15.800 2.392 1.00 0.00 H new ATOM 1169 N GLY A 78 5.436 16.909 6.938 1.00 0.00 N ATOM 1170 CA GLY A 78 6.087 17.705 7.964 1.00 0.00 C ATOM 1171 C GLY A 78 5.332 17.610 9.292 1.00 0.00 C ATOM 1172 O GLY A 78 4.813 18.609 9.787 1.00 0.00 O ATOM 0 H GLY A 78 5.403 15.908 7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.113 17.362 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.138 18.746 7.644 1.00 0.00 H new TER 1176 GLY A 78