USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 67 SER OG : rot -84:sc= -0.113 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.0713 X(o=-0.042,f=-0.25) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.42! K(o=-1.4!,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.601 K(o=-0.6,f=-1.8!) USER MOD Single : A 22 CYS SG : rot 180:sc= -3.66 USER MOD Single : A 25 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-5.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 65 GLN : amide:sc= -3.29! K(o=-3.3!,f=-0.95) USER MOD Single : A 66 MET CE :methyl 139:sc= -0.767 (180deg=-3.33) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.2 (180deg=-0.697) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 33:sc=-0.00785 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 38:sc= 0.442 USER MOD Single : A 105 LYS NZ :NH3+ 161:sc= -0.124 (180deg=-0.804) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -51.868 -31.622 59.883 1.00 0.00 N ATOM 11 CA VAL A 2 -51.736 -32.580 61.034 1.00 0.00 C ATOM 12 C VAL A 2 -52.604 -33.794 60.726 1.00 0.00 C ATOM 13 O VAL A 2 -53.632 -33.679 60.089 1.00 0.00 O ATOM 14 CB VAL A 2 -52.227 -31.904 62.335 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.735 -31.571 62.244 1.00 0.00 C ATOM 16 CG2 VAL A 2 -52.032 -32.867 63.519 1.00 0.00 C ATOM 0 HA VAL A 2 -50.696 -32.876 61.169 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.654 -30.988 62.476 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.059 -31.096 63.170 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -53.908 -30.893 61.408 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.302 -32.489 62.089 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.378 -32.391 64.436 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.604 -33.778 63.345 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -50.975 -33.115 63.616 1.00 0.00 H new ATOM 26 N GLN A 3 -52.173 -34.938 61.185 1.00 0.00 N ATOM 27 CA GLN A 3 -52.947 -36.199 60.948 1.00 0.00 C ATOM 28 C GLN A 3 -53.228 -36.795 62.319 1.00 0.00 C ATOM 29 O GLN A 3 -52.490 -36.560 63.256 1.00 0.00 O ATOM 30 CB GLN A 3 -52.101 -37.161 60.114 1.00 0.00 C ATOM 31 CG GLN A 3 -52.917 -38.427 59.843 1.00 0.00 C ATOM 32 CD GLN A 3 -52.085 -39.382 58.984 1.00 0.00 C ATOM 33 OE1 GLN A 3 -52.519 -40.464 58.638 1.00 0.00 O ATOM 34 NE2 GLN A 3 -50.885 -39.022 58.617 1.00 0.00 N ATOM 0 H GLN A 3 -51.312 -35.058 61.718 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.875 -36.011 60.409 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.811 -36.691 59.174 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -51.181 -37.411 60.643 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -53.190 -38.907 60.783 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -53.846 -38.174 59.332 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -50.514 -38.116 58.903 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -50.318 -39.647 58.044 1.00 0.00 H new ATOM 43 N VAL A 4 -54.290 -37.551 62.408 1.00 0.00 N ATOM 44 CA VAL A 4 -54.692 -38.206 63.696 1.00 0.00 C ATOM 45 C VAL A 4 -54.939 -39.694 63.443 1.00 0.00 C ATOM 46 O VAL A 4 -55.973 -40.062 62.920 1.00 0.00 O ATOM 47 CB VAL A 4 -55.984 -37.566 64.219 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.465 -38.279 65.502 1.00 0.00 C ATOM 49 CG2 VAL A 4 -55.666 -36.137 64.592 1.00 0.00 C ATOM 0 H VAL A 4 -54.913 -37.749 61.625 1.00 0.00 H new ATOM 0 HA VAL A 4 -53.899 -38.078 64.432 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.756 -37.636 63.452 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.383 -37.810 65.857 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.655 -39.330 65.285 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.697 -38.201 66.271 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -56.566 -35.651 64.969 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -54.896 -36.125 65.364 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.306 -35.603 63.713 1.00 0.00 H new ATOM 59 N GLU A 5 -54.006 -40.529 63.806 1.00 0.00 N ATOM 60 CA GLU A 5 -54.196 -42.003 63.587 1.00 0.00 C ATOM 61 C GLU A 5 -54.632 -42.496 64.960 1.00 0.00 C ATOM 62 O GLU A 5 -54.409 -41.800 65.929 1.00 0.00 O ATOM 63 CB GLU A 5 -52.861 -42.633 63.181 1.00 0.00 C ATOM 64 CG GLU A 5 -53.055 -44.136 62.948 1.00 0.00 C ATOM 65 CD GLU A 5 -51.718 -44.743 62.516 1.00 0.00 C ATOM 66 OE1 GLU A 5 -50.794 -44.631 63.305 1.00 0.00 O ATOM 67 OE2 GLU A 5 -51.700 -45.282 61.422 1.00 0.00 O ATOM 0 H GLU A 5 -53.123 -40.264 64.243 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.911 -42.250 62.802 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -52.484 -42.159 62.275 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -52.117 -42.468 63.960 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -53.411 -44.617 63.859 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -53.812 -44.305 62.182 1.00 0.00 H new ATOM 74 N THR A 6 -55.235 -43.655 65.060 1.00 0.00 N ATOM 75 CA THR A 6 -55.679 -44.161 66.405 1.00 0.00 C ATOM 76 C THR A 6 -55.048 -45.504 66.755 1.00 0.00 C ATOM 77 O THR A 6 -54.637 -46.264 65.901 1.00 0.00 O ATOM 78 CB THR A 6 -57.203 -44.290 66.388 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.652 -42.986 66.048 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.754 -44.514 67.808 1.00 0.00 C ATOM 0 H THR A 6 -55.440 -44.273 64.275 1.00 0.00 H new ATOM 0 HA THR A 6 -55.355 -43.452 67.167 1.00 0.00 H new ATOM 0 HB THR A 6 -57.509 -45.103 65.729 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.631 -42.976 66.012 1.00 0.00 H new ATOM 0 HG21 THR A 6 -58.840 -44.602 67.767 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.331 -45.429 68.222 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.482 -43.669 68.441 1.00 0.00 H new ATOM 88 N ILE A 7 -54.998 -45.743 68.039 1.00 0.00 N ATOM 89 CA ILE A 7 -54.420 -47.006 68.589 1.00 0.00 C ATOM 90 C ILE A 7 -55.499 -47.628 69.466 1.00 0.00 C ATOM 91 O ILE A 7 -55.869 -48.771 69.293 1.00 0.00 O ATOM 92 CB ILE A 7 -53.183 -46.695 69.446 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.171 -45.951 68.550 1.00 0.00 C ATOM 94 CG2 ILE A 7 -52.587 -48.052 69.910 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.036 -45.349 69.392 1.00 0.00 C ATOM 0 H ILE A 7 -55.343 -45.097 68.749 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.115 -47.677 67.786 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.425 -46.081 70.314 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -51.757 -46.639 67.812 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.679 -45.160 67.998 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -51.704 -47.871 70.523 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.330 -48.595 70.495 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.308 -48.644 69.038 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.335 -44.829 68.739 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.452 -44.644 70.112 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.515 -46.146 69.923 1.00 0.00 H new ATOM 107 N SER A 8 -55.984 -46.844 70.399 1.00 0.00 N ATOM 108 CA SER A 8 -57.054 -47.342 71.338 1.00 0.00 C ATOM 109 C SER A 8 -58.292 -46.437 71.332 1.00 0.00 C ATOM 110 O SER A 8 -58.406 -45.588 72.193 1.00 0.00 O ATOM 111 CB SER A 8 -56.491 -47.399 72.757 1.00 0.00 C ATOM 112 OG SER A 8 -57.540 -47.994 73.506 1.00 0.00 O ATOM 0 H SER A 8 -55.689 -45.880 70.555 1.00 0.00 H new ATOM 0 HA SER A 8 -57.358 -48.332 70.999 1.00 0.00 H new ATOM 0 HB2 SER A 8 -55.578 -47.993 72.803 1.00 0.00 H new ATOM 0 HB3 SER A 8 -56.244 -46.405 73.131 1.00 0.00 H new ATOM 0 HG SER A 8 -57.267 -48.075 74.444 1.00 0.00 H new ATOM 118 N PRO A 9 -59.187 -46.614 70.389 1.00 0.00 N ATOM 119 CA PRO A 9 -60.414 -45.786 70.300 1.00 0.00 C ATOM 120 C PRO A 9 -60.976 -45.456 71.691 1.00 0.00 C ATOM 121 O PRO A 9 -60.665 -46.115 72.663 1.00 0.00 O ATOM 122 CB PRO A 9 -61.334 -46.632 69.429 1.00 0.00 C ATOM 123 CG PRO A 9 -60.332 -47.255 68.423 1.00 0.00 C ATOM 124 CD PRO A 9 -59.127 -47.639 69.311 1.00 0.00 C ATOM 0 HA PRO A 9 -60.258 -44.798 69.867 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -61.859 -47.392 70.007 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.093 -46.030 68.930 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -60.755 -48.125 67.921 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.049 -46.545 67.646 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.219 -48.651 69.706 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.187 -47.596 68.761 1.00 0.00 H new ATOM 132 N GLY A 10 -61.796 -44.441 71.756 1.00 0.00 N ATOM 133 CA GLY A 10 -62.416 -44.017 73.058 1.00 0.00 C ATOM 134 C GLY A 10 -63.931 -44.093 72.891 1.00 0.00 C ATOM 135 O GLY A 10 -64.407 -44.593 71.892 1.00 0.00 O ATOM 0 H GLY A 10 -62.070 -43.876 70.953 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.087 -44.667 73.869 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.109 -43.004 73.317 1.00 0.00 H new ATOM 139 N ASP A 11 -64.655 -43.603 73.864 1.00 0.00 N ATOM 140 CA ASP A 11 -66.140 -43.641 73.773 1.00 0.00 C ATOM 141 C ASP A 11 -66.650 -43.335 72.358 1.00 0.00 C ATOM 142 O ASP A 11 -67.436 -44.080 71.808 1.00 0.00 O ATOM 143 CB ASP A 11 -66.701 -42.631 74.794 1.00 0.00 C ATOM 144 CG ASP A 11 -65.976 -41.287 74.682 1.00 0.00 C ATOM 145 OD1 ASP A 11 -66.129 -40.659 73.649 1.00 0.00 O ATOM 146 OD2 ASP A 11 -65.304 -40.965 75.648 1.00 0.00 O ATOM 0 H ASP A 11 -64.281 -43.180 74.714 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.486 -44.649 74.001 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -67.768 -42.489 74.624 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.589 -43.027 75.803 1.00 0.00 H new ATOM 151 N GLY A 12 -66.195 -42.246 71.798 1.00 0.00 N ATOM 152 CA GLY A 12 -66.632 -41.857 70.421 1.00 0.00 C ATOM 153 C GLY A 12 -67.757 -40.837 70.551 1.00 0.00 C ATOM 154 O GLY A 12 -68.330 -40.393 69.575 1.00 0.00 O ATOM 0 H GLY A 12 -65.535 -41.604 72.237 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -65.797 -41.434 69.862 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -66.974 -42.732 69.869 1.00 0.00 H new ATOM 158 N ARG A 13 -68.042 -40.492 71.781 1.00 0.00 N ATOM 159 CA ARG A 13 -69.124 -39.505 72.103 1.00 0.00 C ATOM 160 C ARG A 13 -68.631 -38.260 72.848 1.00 0.00 C ATOM 161 O ARG A 13 -69.141 -37.185 72.605 1.00 0.00 O ATOM 162 CB ARG A 13 -70.178 -40.216 72.948 1.00 0.00 C ATOM 163 CG ARG A 13 -70.782 -41.342 72.105 1.00 0.00 C ATOM 164 CD ARG A 13 -71.833 -42.077 72.939 1.00 0.00 C ATOM 165 NE ARG A 13 -71.144 -42.673 74.131 1.00 0.00 N ATOM 166 CZ ARG A 13 -71.138 -43.966 74.339 1.00 0.00 C ATOM 167 NH1 ARG A 13 -71.156 -44.768 73.310 1.00 0.00 N ATOM 168 NH2 ARG A 13 -71.114 -44.408 75.566 1.00 0.00 N ATOM 0 H ARG A 13 -67.558 -40.862 72.599 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.529 -39.148 71.156 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.730 -40.619 73.856 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -70.953 -39.515 73.259 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -71.235 -40.935 71.201 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -70.002 -42.034 71.786 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -72.617 -41.389 73.256 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -72.313 -42.856 72.347 1.00 0.00 H new ATOM 0 HE ARG A 13 -70.670 -42.058 74.793 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -71.174 -44.385 72.365 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -71.152 -45.778 73.451 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -71.100 -43.750 76.345 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -71.109 -45.412 75.746 1.00 0.00 H new ATOM 182 N THR A 14 -67.666 -38.387 73.731 1.00 0.00 N ATOM 183 CA THR A 14 -67.171 -37.178 74.480 1.00 0.00 C ATOM 184 C THR A 14 -65.795 -36.698 74.026 1.00 0.00 C ATOM 185 O THR A 14 -64.873 -37.470 73.851 1.00 0.00 O ATOM 186 CB THR A 14 -67.079 -37.519 75.941 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.374 -37.986 76.293 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.870 -36.267 76.801 1.00 0.00 C ATOM 0 H THR A 14 -67.202 -39.265 73.966 1.00 0.00 H new ATOM 0 HA THR A 14 -67.882 -36.376 74.281 1.00 0.00 H new ATOM 0 HB THR A 14 -66.259 -38.220 76.101 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.387 -38.231 77.242 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.808 -36.553 77.851 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.945 -35.772 76.505 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.708 -35.584 76.660 1.00 0.00 H new ATOM 196 N PHE A 15 -65.706 -35.404 73.848 1.00 0.00 N ATOM 197 CA PHE A 15 -64.440 -34.737 73.414 1.00 0.00 C ATOM 198 C PHE A 15 -64.223 -33.571 74.384 1.00 0.00 C ATOM 199 O PHE A 15 -65.082 -33.337 75.211 1.00 0.00 O ATOM 200 CB PHE A 15 -64.619 -34.227 71.987 1.00 0.00 C ATOM 201 CG PHE A 15 -64.888 -35.415 71.064 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.112 -36.054 71.091 1.00 0.00 C ATOM 203 CD2 PHE A 15 -63.911 -35.857 70.195 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.355 -37.126 70.255 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.151 -36.927 69.358 1.00 0.00 C ATOM 206 CZ PHE A 15 -65.375 -37.563 69.388 1.00 0.00 C ATOM 0 H PHE A 15 -66.485 -34.761 73.991 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.585 -35.412 73.426 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.447 -33.520 71.941 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.725 -33.693 71.663 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -66.882 -35.714 71.768 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -62.952 -35.362 70.170 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.314 -37.623 70.280 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -63.382 -37.266 68.680 1.00 0.00 H new ATOM 0 HZ PHE A 15 -65.565 -38.401 68.734 1.00 0.00 H new ATOM 216 N PRO A 16 -63.128 -32.854 74.307 1.00 0.00 N ATOM 217 CA PRO A 16 -63.052 -31.549 75.009 1.00 0.00 C ATOM 218 C PRO A 16 -64.035 -30.555 74.377 1.00 0.00 C ATOM 219 O PRO A 16 -64.393 -30.685 73.224 1.00 0.00 O ATOM 220 CB PRO A 16 -61.587 -31.116 74.866 1.00 0.00 C ATOM 221 CG PRO A 16 -60.842 -32.437 74.513 1.00 0.00 C ATOM 222 CD PRO A 16 -61.849 -33.183 73.611 1.00 0.00 C ATOM 0 HA PRO A 16 -63.335 -31.603 76.060 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -61.466 -30.367 74.083 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -61.208 -30.677 75.789 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.904 -32.243 73.993 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.599 -33.013 75.406 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.831 -32.822 72.583 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.659 -34.256 73.576 1.00 0.00 H new ATOM 230 N LYS A 17 -64.453 -29.581 75.145 1.00 0.00 N ATOM 231 CA LYS A 17 -65.401 -28.547 74.662 1.00 0.00 C ATOM 232 C LYS A 17 -64.768 -27.160 74.808 1.00 0.00 C ATOM 233 O LYS A 17 -63.709 -26.994 75.384 1.00 0.00 O ATOM 234 CB LYS A 17 -66.637 -28.653 75.499 1.00 0.00 C ATOM 235 CG LYS A 17 -67.337 -29.985 75.206 1.00 0.00 C ATOM 236 CD LYS A 17 -68.597 -30.084 76.071 1.00 0.00 C ATOM 237 CE LYS A 17 -69.284 -31.421 75.780 1.00 0.00 C ATOM 238 NZ LYS A 17 -70.528 -31.542 76.592 1.00 0.00 N ATOM 0 H LYS A 17 -64.164 -29.462 76.116 1.00 0.00 H new ATOM 0 HA LYS A 17 -65.644 -28.695 73.610 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -66.380 -28.589 76.556 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -67.308 -27.822 75.283 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -67.599 -30.049 74.150 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.667 -30.818 75.419 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -68.337 -30.014 77.127 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -69.272 -29.256 75.853 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -69.524 -31.493 74.719 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -68.608 -32.244 76.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -70.988 -32.452 76.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -70.289 -31.493 77.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -71.176 -30.765 76.352 1.00 0.00 H new ATOM 252 N ARG A 18 -65.459 -26.186 74.276 1.00 0.00 N ATOM 253 CA ARG A 18 -65.001 -24.783 74.320 1.00 0.00 C ATOM 254 C ARG A 18 -65.272 -24.192 75.696 1.00 0.00 C ATOM 255 O ARG A 18 -66.355 -23.728 75.994 1.00 0.00 O ATOM 256 CB ARG A 18 -65.749 -23.979 73.259 1.00 0.00 C ATOM 257 CG ARG A 18 -65.475 -24.593 71.886 1.00 0.00 C ATOM 258 CD ARG A 18 -66.275 -23.807 70.846 1.00 0.00 C ATOM 259 NE ARG A 18 -67.728 -23.921 71.206 1.00 0.00 N ATOM 260 CZ ARG A 18 -68.449 -22.865 71.488 1.00 0.00 C ATOM 261 NH1 ARG A 18 -68.049 -22.062 72.436 1.00 0.00 N ATOM 262 NH2 ARG A 18 -69.546 -22.652 70.813 1.00 0.00 N ATOM 0 H ARG A 18 -66.351 -26.320 73.799 1.00 0.00 H new ATOM 0 HA ARG A 18 -63.930 -24.744 74.123 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -66.819 -23.984 73.467 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -65.426 -22.938 73.278 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -64.410 -24.553 71.657 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -65.764 -25.644 71.874 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -65.965 -22.762 70.835 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -66.096 -24.204 69.847 1.00 0.00 H new ATOM 0 HE ARG A 18 -68.164 -24.843 71.232 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -67.187 -22.262 72.944 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -68.598 -21.235 72.669 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -69.828 -23.303 70.080 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -70.121 -21.835 71.018 1.00 0.00 H new ATOM 276 N GLY A 19 -64.248 -24.233 76.501 1.00 0.00 N ATOM 277 CA GLY A 19 -64.318 -23.705 77.897 1.00 0.00 C ATOM 278 C GLY A 19 -63.879 -24.798 78.870 1.00 0.00 C ATOM 279 O GLY A 19 -64.070 -24.678 80.064 1.00 0.00 O ATOM 0 H GLY A 19 -63.340 -24.621 76.245 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -63.676 -22.830 78.000 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.334 -23.384 78.127 1.00 0.00 H new ATOM 283 N GLN A 20 -63.298 -25.851 78.347 1.00 0.00 N ATOM 284 CA GLN A 20 -62.825 -26.979 79.222 1.00 0.00 C ATOM 285 C GLN A 20 -61.304 -27.054 79.166 1.00 0.00 C ATOM 286 O GLN A 20 -60.662 -26.444 78.336 1.00 0.00 O ATOM 287 CB GLN A 20 -63.377 -28.316 78.731 1.00 0.00 C ATOM 288 CG GLN A 20 -64.888 -28.420 78.935 1.00 0.00 C ATOM 289 CD GLN A 20 -65.234 -28.503 80.426 1.00 0.00 C ATOM 290 OE1 GLN A 20 -65.144 -27.546 81.168 1.00 0.00 O ATOM 291 NE2 GLN A 20 -65.639 -29.650 80.898 1.00 0.00 N ATOM 0 H GLN A 20 -63.129 -25.981 77.350 1.00 0.00 H new ATOM 0 HA GLN A 20 -63.173 -26.791 80.238 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.145 -28.438 77.673 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -62.882 -29.130 79.262 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.379 -27.554 78.491 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.269 -29.302 78.420 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -65.717 -30.457 80.279 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -65.878 -29.739 81.886 1.00 0.00 H new ATOM 300 N THR A 21 -60.773 -27.827 80.071 1.00 0.00 N ATOM 301 CA THR A 21 -59.290 -28.025 80.172 1.00 0.00 C ATOM 302 C THR A 21 -59.007 -29.506 79.942 1.00 0.00 C ATOM 303 O THR A 21 -59.394 -30.336 80.737 1.00 0.00 O ATOM 304 CB THR A 21 -58.823 -27.613 81.563 1.00 0.00 C ATOM 305 OG1 THR A 21 -59.175 -26.240 81.657 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.294 -27.618 81.635 1.00 0.00 C ATOM 0 H THR A 21 -61.314 -28.345 80.764 1.00 0.00 H new ATOM 0 HA THR A 21 -58.762 -27.421 79.434 1.00 0.00 H new ATOM 0 HB THR A 21 -59.245 -28.271 82.322 1.00 0.00 H new ATOM 0 HG1 THR A 21 -58.908 -25.893 82.534 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.976 -27.322 82.635 1.00 0.00 H new ATOM 0 HG22 THR A 21 -56.923 -28.620 81.418 1.00 0.00 H new ATOM 0 HG23 THR A 21 -56.893 -26.916 80.904 1.00 0.00 H new ATOM 314 N CYS A 22 -58.334 -29.809 78.868 1.00 0.00 N ATOM 315 CA CYS A 22 -58.032 -31.242 78.588 1.00 0.00 C ATOM 316 C CYS A 22 -56.928 -31.698 79.529 1.00 0.00 C ATOM 317 O CYS A 22 -56.047 -30.942 79.885 1.00 0.00 O ATOM 318 CB CYS A 22 -57.535 -31.402 77.149 1.00 0.00 C ATOM 319 SG CYS A 22 -58.550 -30.755 75.800 1.00 0.00 S ATOM 0 H CYS A 22 -57.984 -29.140 78.182 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.935 -31.835 78.730 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.556 -30.926 77.083 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.385 -32.466 76.968 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.960 -30.985 74.664 1.00 0.00 H new ATOM 325 N VAL A 23 -57.025 -32.941 79.903 1.00 0.00 N ATOM 326 CA VAL A 23 -56.028 -33.576 80.816 1.00 0.00 C ATOM 327 C VAL A 23 -55.462 -34.667 79.926 1.00 0.00 C ATOM 328 O VAL A 23 -56.072 -35.706 79.761 1.00 0.00 O ATOM 329 CB VAL A 23 -56.740 -34.166 82.031 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.719 -34.875 82.906 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.320 -33.020 82.844 1.00 0.00 C ATOM 0 H VAL A 23 -57.776 -33.564 79.606 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.272 -32.900 81.215 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.517 -34.858 81.708 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -56.218 -35.300 83.777 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -55.243 -35.673 82.336 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -54.963 -34.162 83.234 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -57.834 -33.418 83.719 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.516 -32.359 83.166 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -58.027 -32.460 82.231 1.00 0.00 H new ATOM 341 N VAL A 24 -54.309 -34.386 79.362 1.00 0.00 N ATOM 342 CA VAL A 24 -53.618 -35.357 78.441 1.00 0.00 C ATOM 343 C VAL A 24 -52.218 -35.778 78.882 1.00 0.00 C ATOM 344 O VAL A 24 -51.491 -35.019 79.491 1.00 0.00 O ATOM 345 CB VAL A 24 -53.456 -34.725 77.044 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.743 -34.015 76.644 1.00 0.00 C ATOM 347 CG2 VAL A 24 -52.351 -33.604 77.004 1.00 0.00 C ATOM 0 H VAL A 24 -53.807 -33.509 79.502 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.257 -36.240 78.448 1.00 0.00 H new ATOM 0 HB VAL A 24 -53.190 -35.549 76.381 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.622 -33.571 75.656 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.563 -34.733 76.621 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.967 -33.232 77.369 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.283 -33.196 75.995 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.615 -32.808 77.700 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.389 -34.031 77.289 1.00 0.00 H new ATOM 357 N HIS A 25 -51.897 -36.998 78.535 1.00 0.00 N ATOM 358 CA HIS A 25 -50.558 -37.595 78.858 1.00 0.00 C ATOM 359 C HIS A 25 -50.014 -37.976 77.486 1.00 0.00 C ATOM 360 O HIS A 25 -50.762 -38.392 76.624 1.00 0.00 O ATOM 361 CB HIS A 25 -50.700 -38.861 79.733 1.00 0.00 C ATOM 362 CG HIS A 25 -49.409 -39.692 79.698 1.00 0.00 C ATOM 363 ND1 HIS A 25 -48.898 -40.220 78.635 1.00 0.00 N ATOM 364 CD2 HIS A 25 -48.540 -40.055 80.712 1.00 0.00 C ATOM 365 CE1 HIS A 25 -47.812 -40.856 78.944 1.00 0.00 C ATOM 366 NE2 HIS A 25 -47.552 -40.779 80.225 1.00 0.00 N ATOM 0 H HIS A 25 -52.522 -37.625 78.028 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.919 -36.911 79.417 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -50.927 -38.576 80.760 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.536 -39.463 79.377 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -48.655 -39.784 81.751 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -47.196 -41.385 78.232 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -46.765 -41.186 80.730 1.00 0.00 H new ATOM 374 N TYR A 26 -48.732 -37.833 77.294 1.00 0.00 N ATOM 375 CA TYR A 26 -48.157 -38.191 75.962 1.00 0.00 C ATOM 376 C TYR A 26 -46.665 -38.491 76.021 1.00 0.00 C ATOM 377 O TYR A 26 -46.015 -38.362 77.039 1.00 0.00 O ATOM 378 CB TYR A 26 -48.340 -37.056 75.015 1.00 0.00 C ATOM 379 CG TYR A 26 -47.651 -35.819 75.601 1.00 0.00 C ATOM 380 CD1 TYR A 26 -46.288 -35.610 75.460 1.00 0.00 C ATOM 381 CD2 TYR A 26 -48.400 -34.888 76.283 1.00 0.00 C ATOM 382 CE1 TYR A 26 -45.698 -34.480 75.998 1.00 0.00 C ATOM 383 CE2 TYR A 26 -47.810 -33.773 76.809 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.461 -33.556 76.674 1.00 0.00 C ATOM 385 OH TYR A 26 -45.878 -32.425 77.209 1.00 0.00 O ATOM 0 H TYR A 26 -48.066 -37.490 77.986 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.683 -39.088 75.634 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -47.914 -37.302 74.042 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.401 -36.860 74.858 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -45.685 -36.331 74.929 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -49.463 -35.039 76.404 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -44.635 -34.323 75.887 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -48.414 -33.052 77.339 1.00 0.00 H new ATOM 0 HH TYR A 26 -46.563 -31.881 77.651 1.00 0.00 H new ATOM 395 N THR A 27 -46.183 -38.893 74.878 1.00 0.00 N ATOM 396 CA THR A 27 -44.745 -39.228 74.698 1.00 0.00 C ATOM 397 C THR A 27 -44.436 -38.529 73.374 1.00 0.00 C ATOM 398 O THR A 27 -45.121 -38.753 72.395 1.00 0.00 O ATOM 399 CB THR A 27 -44.584 -40.735 74.579 1.00 0.00 C ATOM 400 OG1 THR A 27 -45.055 -41.238 75.821 1.00 0.00 O ATOM 401 CG2 THR A 27 -43.104 -41.120 74.547 1.00 0.00 C ATOM 0 H THR A 27 -46.746 -39.006 74.035 1.00 0.00 H new ATOM 0 HA THR A 27 -44.091 -38.922 75.515 1.00 0.00 H new ATOM 0 HB THR A 27 -45.091 -41.104 73.687 1.00 0.00 H new ATOM 0 HG1 THR A 27 -44.986 -42.216 75.825 1.00 0.00 H new ATOM 0 HG21 THR A 27 -43.011 -42.203 74.462 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.623 -40.646 73.691 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.621 -40.786 75.465 1.00 0.00 H new ATOM 409 N GLY A 28 -43.427 -37.698 73.341 1.00 0.00 N ATOM 410 CA GLY A 28 -43.084 -36.982 72.066 1.00 0.00 C ATOM 411 C GLY A 28 -41.792 -37.504 71.449 1.00 0.00 C ATOM 412 O GLY A 28 -40.764 -37.587 72.091 1.00 0.00 O ATOM 0 H GLY A 28 -42.825 -37.482 74.136 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.900 -37.100 71.353 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -42.986 -35.915 72.264 1.00 0.00 H new ATOM 416 N MET A 29 -41.897 -37.849 70.192 1.00 0.00 N ATOM 417 CA MET A 29 -40.741 -38.381 69.414 1.00 0.00 C ATOM 418 C MET A 29 -40.627 -37.578 68.120 1.00 0.00 C ATOM 419 O MET A 29 -41.434 -36.716 67.832 1.00 0.00 O ATOM 420 CB MET A 29 -40.988 -39.855 69.098 1.00 0.00 C ATOM 421 CG MET A 29 -41.150 -40.612 70.419 1.00 0.00 C ATOM 422 SD MET A 29 -41.451 -42.394 70.323 1.00 0.00 S ATOM 423 CE MET A 29 -39.721 -42.926 70.330 1.00 0.00 C ATOM 0 H MET A 29 -42.763 -37.781 69.658 1.00 0.00 H new ATOM 0 HA MET A 29 -39.817 -38.293 69.985 1.00 0.00 H new ATOM 0 HB2 MET A 29 -41.882 -39.967 68.485 1.00 0.00 H new ATOM 0 HB3 MET A 29 -40.156 -40.265 68.526 1.00 0.00 H new ATOM 0 HG2 MET A 29 -40.249 -40.454 71.011 1.00 0.00 H new ATOM 0 HG3 MET A 29 -41.976 -40.160 70.968 1.00 0.00 H new ATOM 0 HE1 MET A 29 -39.675 -44.014 70.276 1.00 0.00 H new ATOM 0 HE2 MET A 29 -39.205 -42.498 69.471 1.00 0.00 H new ATOM 0 HE3 MET A 29 -39.240 -42.588 71.248 1.00 0.00 H new ATOM 694 N PHE A 46 -49.657 -33.576 81.423 1.00 0.00 N ATOM 695 CA PHE A 46 -49.966 -32.201 80.923 1.00 0.00 C ATOM 696 C PHE A 46 -51.464 -31.855 80.915 1.00 0.00 C ATOM 697 O PHE A 46 -52.307 -32.713 80.736 1.00 0.00 O ATOM 698 CB PHE A 46 -49.405 -32.147 79.554 1.00 0.00 C ATOM 699 CG PHE A 46 -49.366 -30.741 78.981 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.476 -29.846 79.521 1.00 0.00 C ATOM 701 CD2 PHE A 46 -50.186 -30.354 77.950 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.397 -28.558 79.039 1.00 0.00 C ATOM 703 CE2 PHE A 46 -50.113 -29.067 77.461 1.00 0.00 C ATOM 704 CZ PHE A 46 -49.220 -28.166 78.005 1.00 0.00 C ATOM 0 HA PHE A 46 -49.529 -31.461 81.593 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.395 -32.556 79.565 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -50.000 -32.784 78.899 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -47.832 -30.155 80.331 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.887 -31.056 77.523 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -47.694 -27.859 79.469 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -50.757 -28.763 76.649 1.00 0.00 H new ATOM 0 HZ PHE A 46 -49.166 -27.158 77.622 1.00 0.00 H new ATOM 714 N LYS A 47 -51.756 -30.592 81.113 1.00 0.00 N ATOM 715 CA LYS A 47 -53.181 -30.117 81.127 1.00 0.00 C ATOM 716 C LYS A 47 -53.292 -28.727 80.475 1.00 0.00 C ATOM 717 O LYS A 47 -52.629 -27.812 80.924 1.00 0.00 O ATOM 718 CB LYS A 47 -53.664 -30.024 82.570 1.00 0.00 C ATOM 719 CG LYS A 47 -53.345 -31.345 83.290 1.00 0.00 C ATOM 720 CD LYS A 47 -53.992 -31.390 84.690 1.00 0.00 C ATOM 721 CE LYS A 47 -53.395 -30.319 85.614 1.00 0.00 C ATOM 722 NZ LYS A 47 -53.899 -30.523 87.001 1.00 0.00 N ATOM 0 H LYS A 47 -51.062 -29.860 81.267 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.792 -30.824 80.566 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.177 -29.191 83.077 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -54.736 -29.830 82.597 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -53.705 -32.183 82.693 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -52.265 -31.460 83.382 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -55.068 -31.238 84.601 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -53.844 -32.376 85.130 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -52.307 -30.376 85.599 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -53.667 -29.325 85.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -53.495 -29.798 87.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -54.936 -30.448 87.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -53.618 -31.466 87.337 1.00 0.00 H new ATOM 736 N PHE A 48 -54.098 -28.556 79.449 1.00 0.00 N ATOM 737 CA PHE A 48 -54.213 -27.191 78.810 1.00 0.00 C ATOM 738 C PHE A 48 -55.659 -26.802 78.523 1.00 0.00 C ATOM 739 O PHE A 48 -56.558 -27.605 78.652 1.00 0.00 O ATOM 740 CB PHE A 48 -53.414 -27.151 77.492 1.00 0.00 C ATOM 741 CG PHE A 48 -54.000 -28.034 76.374 1.00 0.00 C ATOM 742 CD1 PHE A 48 -53.866 -29.413 76.390 1.00 0.00 C ATOM 743 CD2 PHE A 48 -54.667 -27.442 75.312 1.00 0.00 C ATOM 744 CE1 PHE A 48 -54.391 -30.172 75.362 1.00 0.00 C ATOM 745 CE2 PHE A 48 -55.190 -28.207 74.288 1.00 0.00 C ATOM 746 CZ PHE A 48 -55.049 -29.575 74.317 1.00 0.00 C ATOM 0 H PHE A 48 -54.674 -29.286 79.029 1.00 0.00 H new ATOM 0 HA PHE A 48 -53.805 -26.475 79.524 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.367 -26.121 77.139 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.390 -27.467 77.691 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -53.350 -29.895 77.207 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -54.779 -26.368 75.285 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -54.282 -31.246 75.381 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -55.708 -27.733 73.467 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.456 -30.178 73.518 1.00 0.00 H new ATOM 756 N MET A 49 -55.829 -25.563 78.131 1.00 0.00 N ATOM 757 CA MET A 49 -57.185 -25.009 77.812 1.00 0.00 C ATOM 758 C MET A 49 -57.353 -24.713 76.318 1.00 0.00 C ATOM 759 O MET A 49 -56.422 -24.304 75.652 1.00 0.00 O ATOM 760 CB MET A 49 -57.341 -23.763 78.624 1.00 0.00 C ATOM 761 CG MET A 49 -58.643 -22.992 78.335 1.00 0.00 C ATOM 762 SD MET A 49 -60.220 -23.807 78.687 1.00 0.00 S ATOM 763 CE MET A 49 -60.365 -23.319 80.425 1.00 0.00 C ATOM 0 H MET A 49 -55.066 -24.895 78.016 1.00 0.00 H new ATOM 0 HA MET A 49 -57.955 -25.741 78.056 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.311 -24.024 79.682 1.00 0.00 H new ATOM 0 HB3 MET A 49 -56.491 -23.107 78.433 1.00 0.00 H new ATOM 0 HG2 MET A 49 -58.614 -22.064 78.906 1.00 0.00 H new ATOM 0 HG3 MET A 49 -58.639 -22.717 77.280 1.00 0.00 H new ATOM 0 HE1 MET A 49 -61.287 -23.726 80.841 1.00 0.00 H new ATOM 0 HE2 MET A 49 -59.513 -23.706 80.984 1.00 0.00 H new ATOM 0 HE3 MET A 49 -60.383 -22.232 80.497 1.00 0.00 H new ATOM 773 N LEU A 50 -58.547 -24.930 75.825 1.00 0.00 N ATOM 774 CA LEU A 50 -58.881 -24.691 74.394 1.00 0.00 C ATOM 775 C LEU A 50 -59.397 -23.269 74.166 1.00 0.00 C ATOM 776 O LEU A 50 -60.381 -22.868 74.756 1.00 0.00 O ATOM 777 CB LEU A 50 -59.945 -25.706 74.003 1.00 0.00 C ATOM 778 CG LEU A 50 -60.486 -25.471 72.588 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.360 -25.422 71.567 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.416 -26.629 72.227 1.00 0.00 C ATOM 0 H LEU A 50 -59.330 -25.276 76.380 1.00 0.00 H new ATOM 0 HA LEU A 50 -57.986 -24.803 73.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.526 -26.710 74.067 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.768 -25.658 74.716 1.00 0.00 H new ATOM 0 HG LEU A 50 -61.013 -24.517 72.571 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -59.776 -25.254 70.574 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.678 -24.609 71.816 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -58.818 -26.367 71.578 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -61.811 -26.479 71.222 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -60.861 -27.566 72.262 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -62.241 -26.669 72.939 1.00 0.00 H new ATOM 792 N GLY A 51 -58.732 -22.526 73.320 1.00 0.00 N ATOM 793 CA GLY A 51 -59.164 -21.119 73.028 1.00 0.00 C ATOM 794 C GLY A 51 -58.104 -20.100 73.443 1.00 0.00 C ATOM 795 O GLY A 51 -58.117 -18.975 72.984 1.00 0.00 O ATOM 0 H GLY A 51 -57.902 -22.833 72.813 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -59.369 -21.016 71.962 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.095 -20.909 73.554 1.00 0.00 H new ATOM 799 N LYS A 52 -57.200 -20.501 74.301 1.00 0.00 N ATOM 800 CA LYS A 52 -56.120 -19.581 74.779 1.00 0.00 C ATOM 801 C LYS A 52 -54.755 -20.061 74.262 1.00 0.00 C ATOM 802 O LYS A 52 -53.768 -19.952 74.959 1.00 0.00 O ATOM 803 CB LYS A 52 -56.186 -19.606 76.298 1.00 0.00 C ATOM 804 CG LYS A 52 -55.429 -18.434 76.943 1.00 0.00 C ATOM 805 CD LYS A 52 -56.275 -17.146 76.916 1.00 0.00 C ATOM 806 CE LYS A 52 -55.509 -16.059 77.672 1.00 0.00 C ATOM 807 NZ LYS A 52 -56.293 -14.791 77.669 1.00 0.00 N ATOM 0 H LYS A 52 -57.163 -21.440 74.697 1.00 0.00 H new ATOM 0 HA LYS A 52 -56.253 -18.564 74.409 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -57.229 -19.577 76.613 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.770 -20.546 76.660 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -55.174 -18.684 77.973 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -54.491 -18.268 76.414 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -56.462 -16.835 75.888 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -57.247 -17.319 77.379 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -55.323 -16.379 78.697 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -54.537 -15.897 77.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -55.767 -14.056 78.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -56.449 -14.482 76.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -57.211 -14.949 78.132 1.00 0.00 H new ATOM 821 N GLN A 53 -54.778 -20.570 73.054 1.00 0.00 N ATOM 822 CA GLN A 53 -53.575 -21.099 72.333 1.00 0.00 C ATOM 823 C GLN A 53 -52.338 -21.226 73.217 1.00 0.00 C ATOM 824 O GLN A 53 -51.380 -20.485 73.107 1.00 0.00 O ATOM 825 CB GLN A 53 -53.283 -20.165 71.151 1.00 0.00 C ATOM 826 CG GLN A 53 -52.198 -20.788 70.263 1.00 0.00 C ATOM 827 CD GLN A 53 -51.981 -19.883 69.049 1.00 0.00 C ATOM 828 OE1 GLN A 53 -52.881 -19.642 68.270 1.00 0.00 O ATOM 829 NE2 GLN A 53 -50.801 -19.361 68.853 1.00 0.00 N ATOM 0 H GLN A 53 -55.636 -20.644 72.507 1.00 0.00 H new ATOM 0 HA GLN A 53 -53.804 -22.111 71.999 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -54.191 -19.999 70.572 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -52.955 -19.191 71.515 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -51.269 -20.899 70.823 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -52.498 -21.785 69.942 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -50.041 -19.560 69.504 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -50.639 -18.754 68.049 1.00 0.00 H new ATOM 838 N GLU A 54 -52.421 -22.192 74.088 1.00 0.00 N ATOM 839 CA GLU A 54 -51.304 -22.471 75.041 1.00 0.00 C ATOM 840 C GLU A 54 -50.419 -23.527 74.387 1.00 0.00 C ATOM 841 O GLU A 54 -49.247 -23.643 74.692 1.00 0.00 O ATOM 842 CB GLU A 54 -51.859 -23.022 76.361 1.00 0.00 C ATOM 843 CG GLU A 54 -52.907 -22.074 76.973 1.00 0.00 C ATOM 844 CD GLU A 54 -52.284 -20.724 77.349 1.00 0.00 C ATOM 845 OE1 GLU A 54 -51.917 -20.003 76.437 1.00 0.00 O ATOM 846 OE2 GLU A 54 -52.212 -20.492 78.544 1.00 0.00 O ATOM 0 H GLU A 54 -53.226 -22.811 74.183 1.00 0.00 H new ATOM 0 HA GLU A 54 -50.747 -21.560 75.258 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -52.309 -24.000 76.188 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -51.042 -23.168 77.068 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -53.718 -21.917 76.262 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -53.344 -22.535 77.859 1.00 0.00 H new ATOM 853 N VAL A 55 -51.007 -24.280 73.493 1.00 0.00 N ATOM 854 CA VAL A 55 -50.249 -25.358 72.770 1.00 0.00 C ATOM 855 C VAL A 55 -50.215 -24.988 71.285 1.00 0.00 C ATOM 856 O VAL A 55 -50.706 -23.943 70.906 1.00 0.00 O ATOM 857 CB VAL A 55 -50.965 -26.709 72.988 1.00 0.00 C ATOM 858 CG1 VAL A 55 -51.044 -26.985 74.484 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.394 -26.713 72.443 1.00 0.00 C ATOM 0 H VAL A 55 -51.988 -24.197 73.227 1.00 0.00 H new ATOM 0 HA VAL A 55 -49.230 -25.449 73.145 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.391 -27.468 72.456 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -51.548 -27.937 74.652 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -50.037 -27.029 74.900 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -51.604 -26.187 74.972 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.849 -27.687 72.623 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -52.977 -25.941 72.945 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.375 -26.514 71.371 1.00 0.00 H new ATOM 869 N ILE A 56 -49.644 -25.830 70.462 1.00 0.00 N ATOM 870 CA ILE A 56 -49.584 -25.509 68.998 1.00 0.00 C ATOM 871 C ILE A 56 -50.820 -26.064 68.284 1.00 0.00 C ATOM 872 O ILE A 56 -51.583 -26.819 68.852 1.00 0.00 O ATOM 873 CB ILE A 56 -48.310 -26.133 68.409 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.265 -27.609 68.869 1.00 0.00 C ATOM 875 CG2 ILE A 56 -47.096 -25.335 68.963 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.229 -28.386 68.058 1.00 0.00 C ATOM 0 H ILE A 56 -49.220 -26.717 70.733 1.00 0.00 H new ATOM 0 HA ILE A 56 -49.565 -24.428 68.859 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.289 -26.096 67.320 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -48.019 -27.659 69.930 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.248 -28.065 68.748 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -46.172 -25.754 68.563 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -47.180 -24.290 68.664 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -47.083 -25.401 70.051 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.208 -29.423 68.393 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.493 -28.351 67.001 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.245 -27.939 68.201 1.00 0.00 H new ATOM 888 N ARG A 57 -50.989 -25.678 67.048 1.00 0.00 N ATOM 889 CA ARG A 57 -52.163 -26.166 66.290 1.00 0.00 C ATOM 890 C ARG A 57 -52.211 -27.688 66.293 1.00 0.00 C ATOM 891 O ARG A 57 -53.156 -28.250 66.808 1.00 0.00 O ATOM 892 CB ARG A 57 -52.078 -25.635 64.857 1.00 0.00 C ATOM 893 CG ARG A 57 -53.416 -25.900 64.167 1.00 0.00 C ATOM 894 CD ARG A 57 -53.358 -25.313 62.754 1.00 0.00 C ATOM 895 NE ARG A 57 -53.092 -23.843 62.885 1.00 0.00 N ATOM 896 CZ ARG A 57 -53.942 -22.952 62.442 1.00 0.00 C ATOM 897 NH1 ARG A 57 -55.155 -22.946 62.921 1.00 0.00 N ATOM 898 NH2 ARG A 57 -53.545 -22.101 61.536 1.00 0.00 N ATOM 0 H ARG A 57 -50.367 -25.050 66.539 1.00 0.00 H new ATOM 0 HA ARG A 57 -53.077 -25.805 66.762 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -51.857 -24.568 64.860 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.269 -26.126 64.317 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.615 -26.971 64.125 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.230 -25.447 64.732 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -52.572 -25.794 62.171 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -54.297 -25.487 62.228 1.00 0.00 H new ATOM 0 HE ARG A 57 -52.229 -23.530 63.330 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -55.427 -23.628 63.629 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -55.831 -22.259 62.588 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -52.588 -22.138 61.186 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -54.192 -21.399 61.178 1.00 0.00 H new ATOM 912 N GLY A 58 -51.205 -28.294 65.704 1.00 0.00 N ATOM 913 CA GLY A 58 -51.079 -29.783 65.625 1.00 0.00 C ATOM 914 C GLY A 58 -51.787 -30.477 66.781 1.00 0.00 C ATOM 915 O GLY A 58 -52.351 -31.542 66.640 1.00 0.00 O ATOM 0 H GLY A 58 -50.436 -27.794 65.258 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.497 -30.133 64.681 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.024 -30.058 65.628 1.00 0.00 H new ATOM 919 N TRP A 59 -51.726 -29.824 67.913 1.00 0.00 N ATOM 920 CA TRP A 59 -52.367 -30.353 69.152 1.00 0.00 C ATOM 921 C TRP A 59 -53.826 -29.896 69.181 1.00 0.00 C ATOM 922 O TRP A 59 -54.722 -30.695 69.000 1.00 0.00 O ATOM 923 CB TRP A 59 -51.629 -29.788 70.395 1.00 0.00 C ATOM 924 CG TRP A 59 -50.717 -30.808 71.069 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.749 -31.483 70.424 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.698 -31.144 72.375 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.174 -32.195 71.370 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.677 -32.060 72.592 1.00 0.00 C ATOM 929 CE3 TRP A 59 -51.496 -30.742 73.437 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -49.475 -32.545 73.871 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -51.276 -31.237 74.677 1.00 0.00 C ATOM 932 CH2 TRP A 59 -50.272 -32.129 74.889 1.00 0.00 C ATOM 0 H TRP A 59 -51.250 -28.930 68.032 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.315 -31.442 69.163 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -51.037 -28.923 70.096 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -52.365 -29.436 71.117 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.501 -31.449 69.373 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.387 -32.815 71.176 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -52.294 -30.033 73.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.683 -33.255 74.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -51.900 -30.923 75.501 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -50.105 -32.513 75.884 1.00 0.00 H new ATOM 943 N GLU A 60 -53.994 -28.612 69.417 1.00 0.00 N ATOM 944 CA GLU A 60 -55.345 -27.955 69.491 1.00 0.00 C ATOM 945 C GLU A 60 -56.349 -28.705 68.615 1.00 0.00 C ATOM 946 O GLU A 60 -57.368 -29.184 69.071 1.00 0.00 O ATOM 947 CB GLU A 60 -55.153 -26.510 69.040 1.00 0.00 C ATOM 948 CG GLU A 60 -56.386 -25.622 69.311 1.00 0.00 C ATOM 949 CD GLU A 60 -57.626 -26.105 68.550 1.00 0.00 C ATOM 950 OE1 GLU A 60 -58.275 -26.999 69.067 1.00 0.00 O ATOM 951 OE2 GLU A 60 -57.851 -25.546 67.489 1.00 0.00 O ATOM 0 H GLU A 60 -53.218 -27.968 69.567 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.750 -27.977 70.503 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.289 -26.088 69.553 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.930 -26.495 67.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -56.598 -25.614 70.380 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -56.162 -24.595 69.023 1.00 0.00 H new ATOM 958 N GLU A 61 -55.998 -28.789 67.359 1.00 0.00 N ATOM 959 CA GLU A 61 -56.849 -29.484 66.380 1.00 0.00 C ATOM 960 C GLU A 61 -56.696 -30.972 66.676 1.00 0.00 C ATOM 961 O GLU A 61 -57.661 -31.689 66.852 1.00 0.00 O ATOM 962 CB GLU A 61 -56.356 -29.153 64.968 1.00 0.00 C ATOM 963 CG GLU A 61 -57.132 -29.960 63.907 1.00 0.00 C ATOM 964 CD GLU A 61 -58.625 -29.618 63.939 1.00 0.00 C ATOM 965 OE1 GLU A 61 -59.268 -30.026 64.892 1.00 0.00 O ATOM 966 OE2 GLU A 61 -59.039 -28.961 62.997 1.00 0.00 O ATOM 0 H GLU A 61 -55.140 -28.394 66.974 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.895 -29.184 66.445 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -56.476 -28.086 64.778 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -55.291 -29.373 64.890 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -56.728 -29.748 62.917 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -56.996 -31.027 64.085 1.00 0.00 H new ATOM 973 N GLY A 62 -55.463 -31.399 66.722 1.00 0.00 N ATOM 974 CA GLY A 62 -55.199 -32.824 67.005 1.00 0.00 C ATOM 975 C GLY A 62 -55.978 -33.290 68.228 1.00 0.00 C ATOM 976 O GLY A 62 -57.013 -33.914 68.121 1.00 0.00 O ATOM 0 H GLY A 62 -54.636 -30.820 66.576 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.476 -33.428 66.141 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.132 -32.974 67.170 1.00 0.00 H new ATOM 980 N VAL A 63 -55.453 -32.971 69.379 1.00 0.00 N ATOM 981 CA VAL A 63 -56.125 -33.371 70.646 1.00 0.00 C ATOM 982 C VAL A 63 -57.647 -33.237 70.565 1.00 0.00 C ATOM 983 O VAL A 63 -58.354 -34.139 70.959 1.00 0.00 O ATOM 984 CB VAL A 63 -55.575 -32.509 71.777 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.176 -33.039 73.088 1.00 0.00 C ATOM 986 CG2 VAL A 63 -54.024 -32.607 71.811 1.00 0.00 C ATOM 0 H VAL A 63 -54.585 -32.449 69.496 1.00 0.00 H new ATOM 0 HA VAL A 63 -55.916 -34.425 70.831 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.840 -31.461 71.634 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.805 -32.446 73.924 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.263 -32.967 73.045 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.887 -34.081 73.226 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.638 -31.989 72.621 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -53.728 -33.644 71.973 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.616 -32.258 70.862 1.00 0.00 H new ATOM 996 N ALA A 64 -58.142 -32.128 70.085 1.00 0.00 N ATOM 997 CA ALA A 64 -59.629 -31.981 69.990 1.00 0.00 C ATOM 998 C ALA A 64 -60.270 -33.240 69.408 1.00 0.00 C ATOM 999 O ALA A 64 -61.091 -33.920 69.992 1.00 0.00 O ATOM 1000 CB ALA A 64 -59.970 -30.820 69.072 1.00 0.00 C ATOM 0 H ALA A 64 -57.596 -31.330 69.760 1.00 0.00 H new ATOM 0 HA ALA A 64 -60.010 -31.809 70.997 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -61.053 -30.715 69.005 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.541 -29.901 69.472 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.561 -31.009 68.079 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.798 -33.453 68.218 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.183 -34.573 67.338 1.00 0.00 C ATOM 1008 C GLN A 65 -60.128 -35.883 68.120 1.00 0.00 C ATOM 1009 O GLN A 65 -60.597 -36.901 67.655 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.207 -34.477 66.151 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.673 -35.207 64.902 1.00 0.00 C ATOM 1012 CD GLN A 65 -58.709 -34.825 63.757 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -58.762 -35.390 62.683 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -57.818 -33.877 63.937 1.00 0.00 N ATOM 0 H GLN A 65 -59.103 -32.839 67.793 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.207 -34.533 66.966 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.051 -33.426 65.907 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.241 -34.881 66.455 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.669 -36.285 65.064 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.696 -34.926 64.652 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -57.762 -33.394 64.833 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.182 -33.624 63.180 1.00 0.00 H new ATOM 1023 N MET A 66 -59.554 -35.839 69.302 1.00 0.00 N ATOM 1024 CA MET A 66 -59.477 -37.107 70.124 1.00 0.00 C ATOM 1025 C MET A 66 -60.628 -37.102 71.142 1.00 0.00 C ATOM 1026 O MET A 66 -61.133 -36.055 71.495 1.00 0.00 O ATOM 1027 CB MET A 66 -58.157 -37.169 70.893 1.00 0.00 C ATOM 1028 CG MET A 66 -56.985 -37.107 69.917 1.00 0.00 C ATOM 1029 SD MET A 66 -55.333 -37.038 70.651 1.00 0.00 S ATOM 1030 CE MET A 66 -55.363 -38.669 71.433 1.00 0.00 C ATOM 0 H MET A 66 -59.144 -35.008 69.729 1.00 0.00 H new ATOM 0 HA MET A 66 -59.545 -37.966 69.456 1.00 0.00 H new ATOM 0 HB2 MET A 66 -58.098 -36.341 71.599 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.108 -38.089 71.476 1.00 0.00 H new ATOM 0 HG2 MET A 66 -57.034 -37.981 69.267 1.00 0.00 H new ATOM 0 HG3 MET A 66 -57.114 -36.230 69.282 1.00 0.00 H new ATOM 0 HE1 MET A 66 -54.394 -39.151 71.306 1.00 0.00 H new ATOM 0 HE2 MET A 66 -55.577 -38.559 72.496 1.00 0.00 H new ATOM 0 HE3 MET A 66 -56.136 -39.281 70.969 1.00 0.00 H new ATOM 1040 N SER A 67 -61.022 -38.265 71.604 1.00 0.00 N ATOM 1041 CA SER A 67 -62.147 -38.365 72.603 1.00 0.00 C ATOM 1042 C SER A 67 -61.708 -38.984 73.929 1.00 0.00 C ATOM 1043 O SER A 67 -60.822 -39.813 74.002 1.00 0.00 O ATOM 1044 CB SER A 67 -63.259 -39.221 72.004 1.00 0.00 C ATOM 1045 OG SER A 67 -62.620 -40.466 71.766 1.00 0.00 O ATOM 0 H SER A 67 -60.612 -39.159 71.333 1.00 0.00 H new ATOM 0 HA SER A 67 -62.490 -37.352 72.814 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.100 -39.325 72.689 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.650 -38.787 71.084 1.00 0.00 H new ATOM 0 HG SER A 67 -62.158 -40.437 70.902 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.381 -38.527 74.947 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.126 -38.985 76.335 1.00 0.00 C ATOM 1053 C VAL A 68 -61.936 -40.492 76.485 1.00 0.00 C ATOM 1054 O VAL A 68 -62.898 -41.230 76.565 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.297 -38.506 77.192 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.164 -38.953 78.645 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.342 -36.978 77.147 1.00 0.00 C ATOM 0 H VAL A 68 -63.122 -37.831 74.867 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.176 -38.559 76.658 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.212 -38.942 76.790 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -64.018 -38.590 79.217 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.134 -40.042 78.689 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.245 -38.547 79.068 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.173 -36.620 77.755 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.408 -36.575 77.537 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.477 -36.648 76.117 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.705 -40.928 76.522 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.427 -42.392 76.670 1.00 0.00 C ATOM 1069 C GLY A 69 -59.853 -42.918 75.367 1.00 0.00 C ATOM 1070 O GLY A 69 -59.762 -44.112 75.155 1.00 0.00 O ATOM 0 H GLY A 69 -59.877 -40.335 76.456 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.725 -42.562 77.487 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.343 -42.926 76.921 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.473 -42.006 74.510 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.885 -42.411 73.186 1.00 0.00 C ATOM 1076 C GLN A 70 -57.389 -42.125 73.168 1.00 0.00 C ATOM 1077 O GLN A 70 -56.925 -41.161 73.742 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.540 -41.611 72.045 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.884 -42.008 70.707 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.651 -41.362 69.551 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.850 -41.515 69.420 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -58.992 -40.635 68.691 1.00 0.00 N ATOM 0 H GLN A 70 -59.542 -41.000 74.664 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.066 -43.477 73.047 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.611 -41.811 72.012 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.421 -40.542 72.219 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.843 -41.687 70.691 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.885 -43.092 70.597 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -57.986 -40.505 68.798 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.483 -40.197 67.912 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.661 -42.987 72.499 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.176 -42.822 72.389 1.00 0.00 C ATOM 1093 C ARG A 71 -54.882 -42.796 70.906 1.00 0.00 C ATOM 1094 O ARG A 71 -55.380 -43.601 70.140 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.435 -43.988 72.995 1.00 0.00 C ATOM 1096 CG ARG A 71 -52.923 -43.753 72.899 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.216 -44.972 73.499 1.00 0.00 C ATOM 1098 NE ARG A 71 -50.739 -44.804 73.287 1.00 0.00 N ATOM 1099 CZ ARG A 71 -49.906 -44.743 74.293 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -49.949 -43.709 75.088 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -49.058 -45.720 74.469 1.00 0.00 N ATOM 0 H ARG A 71 -57.036 -43.806 72.020 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.858 -41.922 72.915 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.727 -44.113 74.038 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.702 -44.909 72.477 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.624 -43.612 71.860 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.643 -42.847 73.437 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.441 -45.058 74.562 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -52.567 -45.888 73.024 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.377 -44.736 72.336 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -50.625 -42.964 74.920 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.306 -43.646 75.878 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -49.053 -46.513 73.827 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.400 -45.690 75.248 1.00 0.00 H new ATOM 1115 N ALA A 72 -54.048 -41.847 70.590 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.612 -41.611 69.175 1.00 0.00 C ATOM 1117 C ALA A 72 -52.136 -41.337 68.968 1.00 0.00 C ATOM 1118 O ALA A 72 -51.359 -41.178 69.886 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.394 -40.427 68.616 1.00 0.00 C ATOM 0 H ALA A 72 -53.636 -41.205 71.268 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.812 -42.549 68.658 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -54.088 -40.242 67.586 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.461 -40.650 68.643 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.193 -39.541 69.219 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.839 -41.301 67.697 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.463 -41.041 67.182 1.00 0.00 C ATOM 1127 C LYS A 73 -50.660 -39.936 66.152 1.00 0.00 C ATOM 1128 O LYS A 73 -51.124 -40.184 65.057 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.907 -42.294 66.508 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.497 -41.985 65.998 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.933 -43.245 65.340 1.00 0.00 C ATOM 1132 CE LYS A 73 -46.513 -42.951 64.851 1.00 0.00 C ATOM 1133 NZ LYS A 73 -46.539 -41.844 63.852 1.00 0.00 N ATOM 0 H LYS A 73 -52.529 -41.449 66.960 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.762 -40.766 67.970 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.881 -43.124 67.214 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.551 -42.597 65.682 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.525 -41.164 65.282 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -47.857 -41.669 66.822 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -47.924 -44.071 66.051 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -48.564 -43.550 64.505 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -45.878 -42.677 65.694 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -46.080 -43.846 64.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -45.622 -41.795 63.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -47.292 -42.021 63.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -46.721 -40.943 64.337 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.308 -38.732 66.512 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.480 -37.596 65.553 1.00 0.00 C ATOM 1149 C LEU A 74 -49.153 -37.243 64.883 1.00 0.00 C ATOM 1150 O LEU A 74 -48.089 -37.399 65.451 1.00 0.00 O ATOM 1151 CB LEU A 74 -50.990 -36.366 66.296 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.347 -36.630 67.011 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.172 -37.267 68.400 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.080 -35.312 67.201 1.00 0.00 C ATOM 0 H LEU A 74 -49.912 -38.484 67.419 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.197 -37.904 64.792 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.248 -36.055 67.032 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.107 -35.541 65.593 1.00 0.00 H new ATOM 0 HG LEU A 74 -52.906 -37.321 66.380 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.151 -37.429 68.852 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.656 -38.222 68.300 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -51.585 -36.602 69.034 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -54.031 -35.493 67.702 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -52.472 -34.642 67.809 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -53.263 -34.854 66.229 1.00 0.00 H new ATOM 1166 N THR A 75 -49.275 -36.769 63.671 1.00 0.00 N ATOM 1167 CA THR A 75 -48.088 -36.365 62.849 1.00 0.00 C ATOM 1168 C THR A 75 -48.275 -34.892 62.504 1.00 0.00 C ATOM 1169 O THR A 75 -49.070 -34.546 61.653 1.00 0.00 O ATOM 1170 CB THR A 75 -48.044 -37.203 61.572 1.00 0.00 C ATOM 1171 OG1 THR A 75 -47.979 -38.544 62.036 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.713 -36.999 60.845 1.00 0.00 C ATOM 0 H THR A 75 -50.171 -36.641 63.201 1.00 0.00 H new ATOM 0 HA THR A 75 -47.155 -36.521 63.390 1.00 0.00 H new ATOM 0 HB THR A 75 -48.883 -36.955 60.922 1.00 0.00 H new ATOM 0 HG1 THR A 75 -47.949 -39.154 61.270 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.698 -37.603 59.938 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.599 -35.947 60.583 1.00 0.00 H new ATOM 0 HG23 THR A 75 -45.893 -37.302 61.496 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.534 -34.047 63.174 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.626 -32.573 62.936 1.00 0.00 C ATOM 1182 C ILE A 76 -46.479 -32.137 62.036 1.00 0.00 C ATOM 1183 O ILE A 76 -45.352 -32.554 62.208 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.501 -31.815 64.270 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.429 -32.455 65.325 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.909 -30.348 63.992 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -48.083 -31.955 66.732 1.00 0.00 C ATOM 0 H ILE A 76 -46.858 -34.320 63.887 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.587 -32.352 62.471 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.484 -31.859 64.660 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.467 -32.216 65.095 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -48.336 -33.540 65.287 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.836 -29.769 64.913 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.244 -29.921 63.241 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.935 -30.319 63.626 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.750 -32.420 67.458 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.051 -32.217 66.968 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.201 -30.872 66.773 1.00 0.00 H new ATOM 1199 N SER A 77 -46.815 -31.292 61.099 1.00 0.00 N ATOM 1200 CA SER A 77 -45.822 -30.746 60.114 1.00 0.00 C ATOM 1201 C SER A 77 -45.728 -29.228 60.366 1.00 0.00 C ATOM 1202 O SER A 77 -46.664 -28.666 60.898 1.00 0.00 O ATOM 1203 CB SER A 77 -46.365 -31.072 58.715 1.00 0.00 C ATOM 1204 OG SER A 77 -47.690 -30.565 58.767 1.00 0.00 O ATOM 0 H SER A 77 -47.765 -30.944 60.968 1.00 0.00 H new ATOM 0 HA SER A 77 -44.824 -31.174 60.210 1.00 0.00 H new ATOM 0 HB2 SER A 77 -45.779 -30.592 57.931 1.00 0.00 H new ATOM 0 HB3 SER A 77 -46.349 -32.143 58.514 1.00 0.00 H new ATOM 0 HG SER A 77 -47.713 -29.768 59.337 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.643 -28.583 60.001 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.448 -27.141 60.300 1.00 0.00 C ATOM 1212 C PRO A 78 -45.735 -26.309 60.224 1.00 0.00 C ATOM 1213 O PRO A 78 -46.064 -25.591 61.147 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.341 -26.701 59.292 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.197 -27.914 58.332 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.483 -29.113 59.238 1.00 0.00 C ATOM 0 HA PRO A 78 -44.147 -26.972 61.334 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.629 -25.798 58.753 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.402 -26.482 59.801 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -43.903 -27.858 57.504 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.199 -27.967 57.897 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -43.730 -30.013 58.674 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.639 -29.361 59.881 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.428 -26.427 59.124 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.693 -25.672 58.928 1.00 0.00 C ATOM 1226 C ASP A 79 -48.512 -25.568 60.215 1.00 0.00 C ATOM 1227 O ASP A 79 -49.114 -24.553 60.503 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.479 -26.380 57.814 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.343 -27.899 57.967 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -48.546 -28.373 59.073 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -48.039 -28.502 56.950 1.00 0.00 O ATOM 0 H ASP A 79 -46.164 -27.026 58.341 1.00 0.00 H new ATOM 0 HA ASP A 79 -47.469 -24.644 58.644 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.530 -26.093 57.859 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -48.105 -26.069 56.839 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.507 -26.645 60.959 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.253 -26.731 62.249 1.00 0.00 C ATOM 1238 C TYR A 80 -48.306 -26.616 63.454 1.00 0.00 C ATOM 1239 O TYR A 80 -48.719 -26.164 64.504 1.00 0.00 O ATOM 1240 CB TYR A 80 -50.004 -28.078 62.260 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.334 -27.975 61.481 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.380 -27.492 60.185 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.518 -28.364 62.081 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.582 -27.400 59.510 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.718 -28.272 61.406 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.758 -27.789 60.116 1.00 0.00 C ATOM 1247 OH TYR A 80 -54.959 -27.696 59.443 1.00 0.00 O ATOM 0 H TYR A 80 -47.999 -27.495 60.716 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.956 -25.902 62.331 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.377 -28.852 61.816 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.203 -28.379 63.288 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.467 -27.184 59.696 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.503 -28.745 63.091 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.601 -27.020 58.499 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.632 -28.581 61.892 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.683 -28.015 60.021 1.00 0.00 H new ATOM 1457 N THR A 96 -40.593 -32.552 61.543 1.00 0.00 N ATOM 1458 CA THR A 96 -41.999 -33.007 61.802 1.00 0.00 C ATOM 1459 C THR A 96 -42.146 -33.548 63.236 1.00 0.00 C ATOM 1460 O THR A 96 -41.407 -34.435 63.617 1.00 0.00 O ATOM 1461 CB THR A 96 -42.302 -34.090 60.768 1.00 0.00 C ATOM 1462 OG1 THR A 96 -42.085 -33.429 59.530 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.784 -34.462 60.707 1.00 0.00 C ATOM 0 HA THR A 96 -42.702 -32.179 61.712 1.00 0.00 H new ATOM 0 HB THR A 96 -41.712 -34.979 60.992 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.313 -32.830 59.610 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.934 -35.236 59.954 1.00 0.00 H new ATOM 0 HG22 THR A 96 -44.106 -34.835 61.679 1.00 0.00 H new ATOM 0 HG23 THR A 96 -44.370 -33.581 60.444 1.00 0.00 H new ATOM 1471 N LEU A 97 -43.065 -33.043 64.022 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.201 -33.568 65.406 1.00 0.00 C ATOM 1473 C LEU A 97 -44.194 -34.734 65.352 1.00 0.00 C ATOM 1474 O LEU A 97 -45.119 -34.730 64.564 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.772 -32.476 66.321 1.00 0.00 C ATOM 1476 CG LEU A 97 -43.146 -31.099 66.162 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -43.761 -30.174 67.203 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.650 -31.091 66.425 1.00 0.00 C ATOM 0 H LEU A 97 -43.716 -32.301 63.766 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.232 -33.885 65.792 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.843 -32.393 66.135 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.652 -32.794 67.357 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.327 -30.786 65.134 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.326 -29.179 67.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -44.838 -30.116 67.047 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.559 -30.564 68.201 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.263 -30.080 66.295 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.458 -31.425 67.445 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -41.154 -31.762 65.724 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.980 -35.709 66.195 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.884 -36.900 66.240 1.00 0.00 C ATOM 1492 C VAL A 98 -45.258 -37.163 67.694 1.00 0.00 C ATOM 1493 O VAL A 98 -44.428 -37.583 68.476 1.00 0.00 O ATOM 1494 CB VAL A 98 -44.155 -38.110 65.667 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -45.111 -39.316 65.671 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.758 -37.805 64.222 1.00 0.00 C ATOM 0 H VAL A 98 -43.209 -35.733 66.863 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.783 -36.717 65.651 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.270 -38.331 66.264 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.599 -40.187 65.263 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.427 -39.526 66.693 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -45.985 -39.090 65.060 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -43.235 -38.663 63.799 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.653 -37.600 63.634 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -43.103 -36.934 64.201 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.492 -36.916 68.046 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.913 -37.161 69.462 1.00 0.00 C ATOM 1508 C PHE A 99 -47.723 -38.463 69.530 1.00 0.00 C ATOM 1509 O PHE A 99 -48.303 -38.915 68.562 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.820 -36.043 69.993 1.00 0.00 C ATOM 1511 CG PHE A 99 -47.046 -34.754 70.282 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.535 -34.029 69.243 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.873 -34.298 71.577 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.860 -32.851 69.485 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.200 -33.121 71.834 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.690 -32.392 70.772 1.00 0.00 C ATOM 0 H PHE A 99 -47.220 -36.560 67.426 1.00 0.00 H new ATOM 0 HA PHE A 99 -46.005 -37.209 70.064 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.604 -35.838 69.264 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.313 -36.380 70.905 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.660 -34.379 68.229 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -47.271 -34.873 72.400 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.461 -32.283 68.657 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -46.073 -32.773 72.848 1.00 0.00 H new ATOM 0 HZ PHE A 99 -45.161 -31.468 70.953 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.721 -39.017 70.708 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.455 -40.282 71.006 1.00 0.00 C ATOM 1528 C ASP A 100 -49.243 -39.788 72.208 1.00 0.00 C ATOM 1529 O ASP A 100 -48.750 -39.833 73.316 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.483 -41.380 71.406 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.472 -41.597 70.279 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -45.792 -40.632 69.970 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -46.440 -42.716 69.793 1.00 0.00 O ATOM 0 H ASP A 100 -47.221 -38.631 71.509 1.00 0.00 H new ATOM 0 HA ASP A 100 -49.039 -40.711 70.192 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -46.966 -41.106 72.326 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -48.024 -42.305 71.607 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.450 -39.324 71.992 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.268 -38.800 73.145 1.00 0.00 C ATOM 1540 C VAL A 101 -52.438 -39.668 73.568 1.00 0.00 C ATOM 1541 O VAL A 101 -52.988 -40.447 72.817 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.816 -37.413 72.765 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.418 -36.660 73.976 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.736 -36.600 72.068 1.00 0.00 C ATOM 0 H VAL A 101 -50.905 -39.283 71.080 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.588 -38.779 73.997 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.642 -37.559 72.069 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.790 -35.688 73.652 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.240 -37.242 74.394 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.649 -36.520 74.736 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.133 -35.620 71.803 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -49.884 -36.478 72.737 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.416 -37.119 71.164 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.758 -39.468 74.818 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.878 -40.184 75.486 1.00 0.00 C ATOM 1556 C GLU A 102 -54.769 -39.135 76.155 1.00 0.00 C ATOM 1557 O GLU A 102 -54.412 -38.631 77.200 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.303 -41.144 76.529 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.457 -41.939 77.146 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.887 -42.963 78.131 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -53.069 -43.746 77.678 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -54.303 -42.904 79.276 1.00 0.00 O ATOM 0 H GLU A 102 -52.268 -38.811 75.425 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.463 -40.761 74.769 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.583 -41.819 76.066 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.770 -40.589 77.301 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.146 -41.267 77.658 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -55.026 -42.444 76.365 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.896 -38.802 75.572 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.748 -37.774 76.262 1.00 0.00 C ATOM 1571 C LEU A 103 -57.304 -38.533 77.454 1.00 0.00 C ATOM 1572 O LEU A 103 -57.904 -39.580 77.301 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.894 -37.294 75.324 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.950 -36.395 76.063 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.326 -35.127 76.714 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.999 -35.933 75.030 1.00 0.00 C ATOM 0 H LEU A 103 -56.253 -39.174 74.692 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.199 -36.876 76.546 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.466 -36.735 74.492 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.397 -38.162 74.899 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.385 -36.995 76.862 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -59.107 -34.549 77.208 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.577 -35.426 77.448 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.856 -34.516 75.943 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.743 -35.307 75.522 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.507 -35.362 74.243 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.489 -36.804 74.594 1.00 0.00 H new ATOM 1588 N LEU A 104 -57.100 -37.983 78.626 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.588 -38.653 79.874 1.00 0.00 C ATOM 1590 C LEU A 104 -58.929 -38.139 80.357 1.00 0.00 C ATOM 1591 O LEU A 104 -59.854 -38.906 80.534 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.536 -38.455 80.981 1.00 0.00 C ATOM 1593 CG LEU A 104 -55.154 -38.953 80.486 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -54.054 -38.354 81.332 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -55.036 -40.484 80.601 1.00 0.00 C ATOM 0 H LEU A 104 -56.616 -37.097 78.773 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.731 -39.708 79.638 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.477 -37.402 81.255 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.830 -39.001 81.877 1.00 0.00 H new ATOM 0 HG LEU A 104 -55.059 -38.650 79.443 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -53.087 -38.710 80.977 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.090 -37.267 81.259 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.191 -38.653 82.371 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -54.055 -40.801 80.246 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -55.158 -40.781 81.643 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.811 -40.955 79.996 1.00 0.00 H new ATOM 1607 N LYS A 105 -59.026 -36.858 80.565 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.315 -36.301 81.041 1.00 0.00 C ATOM 1609 C LYS A 105 -60.352 -34.780 80.903 1.00 0.00 C ATOM 1610 O LYS A 105 -59.390 -34.162 80.491 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.487 -36.758 82.512 1.00 0.00 C ATOM 1612 CG LYS A 105 -61.895 -36.443 83.047 1.00 0.00 C ATOM 1613 CD LYS A 105 -62.085 -37.177 84.378 1.00 0.00 C ATOM 1614 CE LYS A 105 -63.494 -36.886 84.894 1.00 0.00 C ATOM 1615 NZ LYS A 105 -64.503 -37.360 83.906 1.00 0.00 N ATOM 0 H LYS A 105 -58.276 -36.180 80.427 1.00 0.00 H new ATOM 0 HA LYS A 105 -61.143 -36.668 80.434 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -60.302 -37.830 82.584 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -59.742 -36.264 83.136 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -62.016 -35.369 83.186 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -62.652 -36.758 82.329 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -61.945 -38.249 84.243 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -61.340 -36.847 85.102 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -63.650 -37.382 85.852 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -63.614 -35.816 85.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -65.426 -37.461 84.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -64.581 -36.670 83.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -64.207 -38.280 83.522 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.473 -34.198 81.247 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.634 -32.710 81.158 1.00 0.00 C ATOM 1631 C LEU A 106 -61.806 -32.176 82.586 1.00 0.00 C ATOM 1632 O LEU A 106 -62.306 -32.861 83.456 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.895 -32.357 80.360 1.00 0.00 C ATOM 1634 CG LEU A 106 -62.988 -33.173 79.078 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -64.306 -32.805 78.392 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.845 -32.850 78.120 1.00 0.00 C ATOM 0 H LEU A 106 -62.295 -34.695 81.590 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.765 -32.275 80.664 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.778 -32.538 80.973 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.888 -31.294 80.117 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.933 -34.232 79.329 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -64.406 -33.373 77.467 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -65.139 -33.041 79.054 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -64.313 -31.739 78.166 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -61.946 -33.452 77.217 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.879 -31.793 77.857 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.893 -33.074 78.601 1.00 0.00 H new ATOM 1648 N GLU A 107 -61.382 -30.958 82.787 1.00 0.00 N ATOM 1649 CA GLU A 107 -61.492 -30.302 84.137 1.00 0.00 C ATOM 1650 C GLU A 107 -62.083 -28.898 83.990 1.00 0.00 C ATOM 1651 O GLU A 107 -63.137 -28.694 84.571 1.00 0.00 O ATOM 1652 CB GLU A 107 -60.099 -30.220 84.770 1.00 0.00 C ATOM 1653 CG GLU A 107 -59.621 -31.640 85.078 1.00 0.00 C ATOM 1654 CD GLU A 107 -60.456 -32.228 86.221 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -60.394 -31.645 87.291 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -61.106 -33.225 85.955 1.00 0.00 O ATOM 1657 OXT GLU A 107 -61.448 -28.112 83.306 1.00 0.00 O ATOM 0 H GLU A 107 -60.956 -30.375 82.066 1.00 0.00 H new ATOM 0 HA GLU A 107 -62.149 -30.892 84.776 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -59.404 -29.725 84.092 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -60.132 -29.625 85.683 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.711 -32.265 84.190 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -58.567 -31.628 85.354 1.00 0.00 H new