USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 623 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 142 SER OG : rot -158:sc= -1.07! USER MOD Set 1.2: A 145 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.1: A 137 MET CE :methyl 152:sc= -0.373 (180deg=-1.21) USER MOD Set 2.2: A 138 SER OG : rot 180:sc= 0.00483 USER MOD Set 3.1: A 87 THR OG1 : rot -52:sc= 0.681 USER MOD Set 3.2: A 90 GLN :FLIP amide:sc= -0.657 F(o=-1.1,f=0.024) USER MOD Set 4.1: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 91 GLN : amide:sc= -1.49! X(o=-3.6!,f=-4.1) USER MOD Set 4.3: A 127 ASN : amide:sc= -2.12! C(o=-3.6!,f=-4.1!) USER MOD Set 5.1: A 79 MET CE :methyl -163:sc= -0.0489 (180deg=-0.401) USER MOD Set 5.2: A 80 SER OG : rot 48:sc= 1.27 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= 0 USER MOD Single : A 92 TYR OH : rot -124:sc= 0.68 USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.13) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00365 USER MOD Single : A 105 ASN : amide:sc= -4.98! C(o=-5!,f=-6.7!) USER MOD Single : A 107 GLN : amide:sc= 0.481 K(o=0.48,f=-0.49) USER MOD Single : A 108 LYS NZ :NH3+ -156:sc= 0.862 (180deg=-3.05!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.982) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.21 F(o=-7.2!,f=-1.2) USER MOD Single : A 118 HIS : no HE2:sc= -2.81! C(o=-2.8!,f=-5.8!) USER MOD Single : A 121 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0179) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN :FLIP amide:sc= -0.112 F(o=-1.3,f=-0.11) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.21 F(o=-1.9,f=-0.21) USER MOD Single : A 133 THR OG1 : rot 160:sc= -6.68! USER MOD Single : A 140 SER OG : rot 80:sc= -0.159 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot -46:sc= 0.374 USER MOD Single : A 150 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 77 45.003 7.266 -3.052 1.00 0.00 N ATOM 2 CA GLY A 77 45.329 7.892 -4.327 1.00 0.00 C ATOM 3 C GLY A 77 46.306 7.049 -5.080 1.00 0.00 C ATOM 4 O GLY A 77 47.406 6.809 -4.585 1.00 0.00 O ATOM 0 HA2 GLY A 77 44.422 8.026 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 77 45.748 8.884 -4.157 1.00 0.00 H new ATOM 10 N ALA A 78 45.894 6.575 -6.265 1.00 0.00 N ATOM 11 CA ALA A 78 46.715 5.725 -7.137 1.00 0.00 C ATOM 12 C ALA A 78 47.086 4.396 -6.457 1.00 0.00 C ATOM 13 O ALA A 78 46.482 4.002 -5.438 1.00 0.00 O ATOM 14 CB ALA A 78 47.973 6.472 -7.602 1.00 0.00 C ATOM 0 H ALA A 78 44.970 6.774 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 78 46.115 5.484 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 78 48.565 5.822 -8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 78 47.682 7.365 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 78 48.566 6.760 -6.734 1.00 0.00 H new ATOM 20 N MET A 79 47.990 3.678 -7.063 1.00 0.00 N ATOM 21 CA MET A 79 48.533 2.463 -6.525 1.00 0.00 C ATOM 22 C MET A 79 49.918 2.342 -7.134 1.00 0.00 C ATOM 23 O MET A 79 50.066 2.515 -8.344 1.00 0.00 O ATOM 24 CB MET A 79 47.629 1.256 -6.874 1.00 0.00 C ATOM 25 CG MET A 79 47.879 -0.009 -6.036 1.00 0.00 C ATOM 26 SD MET A 79 49.446 -0.840 -6.367 1.00 0.00 S ATOM 27 CE MET A 79 49.151 -1.430 -8.034 1.00 0.00 C ATOM 0 H MET A 79 48.380 3.930 -7.971 1.00 0.00 H new ATOM 0 HA MET A 79 48.587 2.477 -5.436 1.00 0.00 H new ATOM 0 HB2 MET A 79 46.588 1.554 -6.752 1.00 0.00 H new ATOM 0 HB3 MET A 79 47.769 1.009 -7.927 1.00 0.00 H new ATOM 0 HG2 MET A 79 47.842 0.259 -4.980 1.00 0.00 H new ATOM 0 HG3 MET A 79 47.066 -0.713 -6.215 1.00 0.00 H new ATOM 0 HE1 MET A 79 49.876 -2.207 -8.279 1.00 0.00 H new ATOM 0 HE2 MET A 79 48.143 -1.840 -8.102 1.00 0.00 H new ATOM 0 HE3 MET A 79 49.255 -0.603 -8.736 1.00 0.00 H new ATOM 37 N SER A 80 50.912 2.089 -6.292 1.00 0.00 N ATOM 38 CA SER A 80 52.325 2.094 -6.652 1.00 0.00 C ATOM 39 C SER A 80 52.787 3.512 -6.995 1.00 0.00 C ATOM 40 O SER A 80 52.590 4.008 -8.114 1.00 0.00 O ATOM 41 CB SER A 80 52.639 1.155 -7.786 1.00 0.00 C ATOM 42 OG SER A 80 52.165 -0.167 -7.526 1.00 0.00 O ATOM 0 H SER A 80 50.752 1.868 -5.309 1.00 0.00 H new ATOM 0 HA SER A 80 52.872 1.737 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 80 52.186 1.530 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 80 53.716 1.129 -7.949 1.00 0.00 H new ATOM 0 HG SER A 80 51.238 -0.126 -7.212 1.00 0.00 H new ATOM 48 N TYR A 81 53.377 4.150 -6.038 1.00 0.00 N ATOM 49 CA TYR A 81 53.782 5.532 -6.131 1.00 0.00 C ATOM 50 C TYR A 81 54.900 5.751 -5.168 1.00 0.00 C ATOM 51 O TYR A 81 55.235 4.846 -4.442 1.00 0.00 O ATOM 52 CB TYR A 81 52.597 6.442 -5.773 1.00 0.00 C ATOM 53 CG TYR A 81 51.769 5.915 -4.610 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.207 5.996 -3.283 1.00 0.00 C ATOM 55 CD2 TYR A 81 50.559 5.299 -4.858 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.444 5.483 -2.258 1.00 0.00 C ATOM 57 CE2 TYR A 81 49.797 4.789 -3.848 1.00 0.00 C ATOM 58 CZ TYR A 81 50.234 4.876 -2.550 1.00 0.00 C ATOM 59 OH TYR A 81 49.448 4.372 -1.536 1.00 0.00 O ATOM 0 H TYR A 81 53.601 3.720 -5.140 1.00 0.00 H new ATOM 0 HA TYR A 81 54.107 5.767 -7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 81 52.972 7.435 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 81 51.955 6.553 -6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 81 53.154 6.466 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.207 5.219 -5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 81 51.786 5.553 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 81 48.851 4.317 -4.070 1.00 0.00 H new ATOM 0 HH TYR A 81 48.634 3.981 -1.917 1.00 0.00 H new ATOM 69 N SER A 82 55.462 6.911 -5.133 1.00 0.00 N ATOM 70 CA SER A 82 56.490 7.160 -4.175 1.00 0.00 C ATOM 71 C SER A 82 55.854 7.725 -2.905 1.00 0.00 C ATOM 72 O SER A 82 54.898 8.503 -2.986 1.00 0.00 O ATOM 73 CB SER A 82 57.510 8.128 -4.726 1.00 0.00 C ATOM 74 OG SER A 82 58.018 7.681 -5.980 1.00 0.00 O ATOM 0 H SER A 82 55.233 7.693 -5.746 1.00 0.00 H new ATOM 0 HA SER A 82 57.005 6.227 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.055 9.112 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 82 58.330 8.239 -4.017 1.00 0.00 H new ATOM 0 HG SER A 82 58.675 8.326 -6.316 1.00 0.00 H new ATOM 80 N LEU A 83 56.360 7.360 -1.754 1.00 0.00 N ATOM 81 CA LEU A 83 55.761 7.813 -0.513 1.00 0.00 C ATOM 82 C LEU A 83 56.824 7.954 0.552 1.00 0.00 C ATOM 83 O LEU A 83 57.973 7.495 0.390 1.00 0.00 O ATOM 84 CB LEU A 83 54.727 6.777 -0.026 1.00 0.00 C ATOM 85 CG LEU A 83 53.712 7.223 1.059 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.659 8.148 0.499 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.081 6.034 1.709 1.00 0.00 C ATOM 0 H LEU A 83 57.176 6.758 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 83 55.279 8.775 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.162 6.435 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.272 5.915 0.359 1.00 0.00 H new ATOM 0 HG LEU A 83 54.265 7.782 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 83 51.969 8.436 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.137 9.039 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.110 7.638 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.372 6.367 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.557 5.443 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 83 53.853 5.423 2.177 1.00 0.00 H new ATOM 99 N TYR A 84 56.453 8.604 1.611 1.00 0.00 N ATOM 100 CA TYR A 84 57.232 8.662 2.796 1.00 0.00 C ATOM 101 C TYR A 84 57.033 7.406 3.547 1.00 0.00 C ATOM 102 O TYR A 84 55.920 7.113 4.010 1.00 0.00 O ATOM 103 CB TYR A 84 56.842 9.841 3.634 1.00 0.00 C ATOM 104 CG TYR A 84 57.719 11.018 3.457 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.926 11.027 4.067 1.00 0.00 C ATOM 106 CD2 TYR A 84 57.329 12.124 2.746 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.772 12.106 3.994 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.161 13.225 2.639 1.00 0.00 C ATOM 109 CZ TYR A 84 59.386 13.212 3.270 1.00 0.00 C ATOM 110 OH TYR A 84 60.220 14.303 3.172 1.00 0.00 O ATOM 0 H TYR A 84 55.576 9.121 1.671 1.00 0.00 H new ATOM 0 HA TYR A 84 58.284 8.778 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.818 10.124 3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.852 9.547 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 84 59.234 10.158 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 84 56.362 12.136 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 84 60.727 12.088 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 84 57.853 14.087 2.066 1.00 0.00 H new ATOM 0 HH TYR A 84 59.792 14.994 2.624 1.00 0.00 H new ATOM 120 N GLY A 85 58.115 6.669 3.679 1.00 0.00 N ATOM 121 CA GLY A 85 58.088 5.388 4.282 1.00 0.00 C ATOM 122 C GLY A 85 57.498 5.355 5.591 1.00 0.00 C ATOM 123 O GLY A 85 56.758 4.450 5.900 1.00 0.00 O ATOM 0 H GLY A 85 59.039 6.961 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.538 4.707 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.108 5.011 4.348 1.00 0.00 H new ATOM 127 N THR A 86 57.847 6.319 6.343 1.00 0.00 N ATOM 128 CA THR A 86 57.365 6.570 7.693 1.00 0.00 C ATOM 129 C THR A 86 55.809 6.251 7.857 1.00 0.00 C ATOM 130 O THR A 86 55.376 5.855 8.935 1.00 0.00 O ATOM 131 CB THR A 86 57.672 8.069 8.033 1.00 0.00 C ATOM 132 OG1 THR A 86 57.374 8.366 9.397 1.00 0.00 O ATOM 133 CG2 THR A 86 56.830 8.944 7.142 1.00 0.00 C ATOM 0 H THR A 86 58.523 7.019 6.037 1.00 0.00 H new ATOM 0 HA THR A 86 57.876 5.903 8.387 1.00 0.00 H new ATOM 0 HB THR A 86 58.734 8.253 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 86 57.856 9.175 9.668 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.031 9.992 7.366 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.073 8.742 6.099 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.775 8.732 7.316 1.00 0.00 H new ATOM 141 N THR A 87 55.004 6.427 6.767 1.00 0.00 N ATOM 142 CA THR A 87 53.561 6.158 6.782 1.00 0.00 C ATOM 143 C THR A 87 53.180 4.741 6.263 1.00 0.00 C ATOM 144 O THR A 87 52.059 4.335 6.387 1.00 0.00 O ATOM 145 CB THR A 87 52.772 7.210 5.967 1.00 0.00 C ATOM 146 OG1 THR A 87 53.231 7.227 4.609 1.00 0.00 O ATOM 147 CG2 THR A 87 52.942 8.590 6.548 1.00 0.00 C ATOM 0 H THR A 87 55.350 6.758 5.866 1.00 0.00 H new ATOM 0 HA THR A 87 53.285 6.215 7.835 1.00 0.00 H new ATOM 0 HB THR A 87 51.718 6.933 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 87 54.206 7.326 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.376 9.307 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.576 8.600 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 87 53.997 8.862 6.536 1.00 0.00 H new ATOM 155 N LEU A 88 54.112 4.032 5.656 1.00 0.00 N ATOM 156 CA LEU A 88 53.862 2.726 4.975 1.00 0.00 C ATOM 157 C LEU A 88 53.022 1.686 5.708 1.00 0.00 C ATOM 158 O LEU A 88 52.303 0.911 5.056 1.00 0.00 O ATOM 159 CB LEU A 88 55.156 2.112 4.558 1.00 0.00 C ATOM 160 CG LEU A 88 55.465 2.137 3.093 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.627 1.148 2.411 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.180 3.485 2.514 1.00 0.00 C ATOM 0 H LEU A 88 55.086 4.330 5.608 1.00 0.00 H new ATOM 0 HA LEU A 88 53.238 3.009 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.962 2.622 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.164 1.074 4.891 1.00 0.00 H new ATOM 0 HG LEU A 88 56.522 1.908 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.846 1.160 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.834 0.156 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.576 1.391 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.412 3.480 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.126 3.726 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.794 4.233 3.015 1.00 0.00 H new ATOM 174 N GLU A 89 53.084 1.656 7.013 1.00 0.00 N ATOM 175 CA GLU A 89 52.334 0.670 7.781 1.00 0.00 C ATOM 176 C GLU A 89 50.821 0.901 7.580 1.00 0.00 C ATOM 177 O GLU A 89 50.019 -0.035 7.561 1.00 0.00 O ATOM 178 CB GLU A 89 52.751 0.754 9.240 1.00 0.00 C ATOM 179 CG GLU A 89 54.266 0.594 9.436 1.00 0.00 C ATOM 180 CD GLU A 89 54.711 0.944 10.818 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.521 2.117 11.239 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.288 0.079 11.503 1.00 0.00 O ATOM 0 H GLU A 89 53.643 2.298 7.575 1.00 0.00 H new ATOM 0 HA GLU A 89 52.553 -0.340 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.436 1.714 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.232 -0.019 9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.549 -0.436 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.789 1.227 8.719 1.00 0.00 H new ATOM 189 N GLN A 90 50.489 2.156 7.339 1.00 0.00 N ATOM 190 CA GLN A 90 49.145 2.631 7.007 1.00 0.00 C ATOM 191 C GLN A 90 48.648 2.041 5.668 1.00 0.00 C ATOM 192 O GLN A 90 47.453 1.766 5.498 1.00 0.00 O ATOM 193 CB GLN A 90 49.231 4.176 6.875 1.00 0.00 C ATOM 194 CG GLN A 90 48.286 4.810 5.858 1.00 0.00 C ATOM 195 CD GLN A 90 48.938 5.869 4.946 1.00 0.00 C ATOM 196 OE1 GLN A 90 50.237 5.739 4.635 1.00 0.00 O flip ATOM 197 NE2 GLN A 90 48.265 6.793 4.509 1.00 0.00 N flip ATOM 0 H GLN A 90 51.174 2.911 7.369 1.00 0.00 H new ATOM 0 HA GLN A 90 48.446 2.322 7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 90 49.032 4.617 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.254 4.442 6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 90 47.864 4.022 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 90 47.456 5.272 6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 90 47.279 6.870 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 90 48.690 7.487 3.893 1.00 0.00 H new ATOM 206 N GLN A 91 49.566 1.821 4.758 1.00 0.00 N ATOM 207 CA GLN A 91 49.217 1.523 3.386 1.00 0.00 C ATOM 208 C GLN A 91 48.911 0.051 3.104 1.00 0.00 C ATOM 209 O GLN A 91 47.773 -0.301 2.838 1.00 0.00 O ATOM 210 CB GLN A 91 50.302 2.040 2.450 1.00 0.00 C ATOM 211 CG GLN A 91 50.011 1.813 0.975 1.00 0.00 C ATOM 212 CD GLN A 91 51.120 2.296 0.082 1.00 0.00 C ATOM 213 OE1 GLN A 91 51.352 1.747 -0.986 1.00 0.00 O ATOM 214 NE2 GLN A 91 51.777 3.338 0.474 1.00 0.00 N ATOM 0 H GLN A 91 50.569 1.843 4.943 1.00 0.00 H new ATOM 0 HA GLN A 91 48.277 2.043 3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 91 50.437 3.108 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.245 1.555 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 91 49.847 0.749 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 91 49.087 2.325 0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 91 51.558 3.771 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 91 52.515 3.727 -0.114 1.00 0.00 H new ATOM 223 N TYR A 92 49.916 -0.794 3.180 1.00 0.00 N ATOM 224 CA TYR A 92 49.783 -2.180 2.737 1.00 0.00 C ATOM 225 C TYR A 92 48.989 -3.051 3.679 1.00 0.00 C ATOM 226 O TYR A 92 48.424 -4.051 3.250 1.00 0.00 O ATOM 227 CB TYR A 92 51.139 -2.830 2.583 1.00 0.00 C ATOM 228 CG TYR A 92 51.950 -2.342 1.441 1.00 0.00 C ATOM 229 CD1 TYR A 92 52.319 -1.044 1.365 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.362 -3.196 0.438 1.00 0.00 C ATOM 231 CE1 TYR A 92 53.067 -0.586 0.348 1.00 0.00 C ATOM 232 CE2 TYR A 92 53.136 -2.735 -0.584 1.00 0.00 C ATOM 233 CZ TYR A 92 53.481 -1.409 -0.613 1.00 0.00 C ATOM 234 OH TYR A 92 54.274 -0.924 -1.600 1.00 0.00 O ATOM 0 H TYR A 92 50.838 -0.553 3.543 1.00 0.00 H new ATOM 0 HA TYR A 92 49.252 -2.112 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.705 -2.674 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.998 -3.905 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 92 52.005 -0.360 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 92 52.069 -4.235 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 92 53.335 0.459 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.473 -3.405 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 92 53.864 -1.110 -2.470 1.00 0.00 H new ATOM 244 N ASN A 93 49.011 -2.683 4.992 1.00 0.00 N ATOM 245 CA ASN A 93 48.472 -3.524 6.148 1.00 0.00 C ATOM 246 C ASN A 93 49.505 -4.585 6.496 1.00 0.00 C ATOM 247 O ASN A 93 49.416 -5.315 7.485 1.00 0.00 O ATOM 248 CB ASN A 93 47.123 -4.199 5.848 1.00 0.00 C ATOM 249 CG ASN A 93 45.954 -3.230 5.718 1.00 0.00 C ATOM 250 OD1 ASN A 93 46.110 -2.083 5.308 1.00 0.00 O ATOM 251 ND2 ASN A 93 44.776 -3.686 6.062 1.00 0.00 N ATOM 0 H ASN A 93 49.402 -1.793 5.300 1.00 0.00 H new ATOM 0 HA ASN A 93 48.293 -2.847 6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 93 47.212 -4.769 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.902 -4.913 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 93 43.956 -3.084 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 93 44.678 -4.644 6.399 1.00 0.00 H new ATOM 258 N LYS A 94 50.455 -4.624 5.643 1.00 0.00 N ATOM 259 CA LYS A 94 51.612 -5.432 5.632 1.00 0.00 C ATOM 260 C LYS A 94 52.739 -4.412 5.683 1.00 0.00 C ATOM 261 O LYS A 94 53.128 -3.847 4.669 1.00 0.00 O ATOM 262 CB LYS A 94 51.576 -6.148 4.293 1.00 0.00 C ATOM 263 CG LYS A 94 52.824 -6.843 3.767 1.00 0.00 C ATOM 264 CD LYS A 94 53.094 -8.133 4.468 1.00 0.00 C ATOM 265 CE LYS A 94 53.871 -9.113 3.610 1.00 0.00 C ATOM 266 NZ LYS A 94 54.097 -10.389 4.319 1.00 0.00 N ATOM 0 H LYS A 94 50.436 -4.009 4.830 1.00 0.00 H new ATOM 0 HA LYS A 94 51.710 -6.166 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 94 50.786 -6.897 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 94 51.271 -5.418 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 94 52.710 -7.030 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 94 53.682 -6.182 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 94 53.653 -7.935 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 94 52.148 -8.586 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 94 53.326 -9.301 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.830 -8.675 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 54.702 -11.005 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 54.563 -10.202 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 53.185 -10.859 4.487 1.00 0.00 H new ATOM 280 N PRO A 95 53.167 -4.059 6.871 1.00 0.00 N ATOM 281 CA PRO A 95 54.131 -2.993 7.062 1.00 0.00 C ATOM 282 C PRO A 95 55.509 -3.405 6.652 1.00 0.00 C ATOM 283 O PRO A 95 55.718 -4.517 6.304 1.00 0.00 O ATOM 284 CB PRO A 95 54.090 -2.747 8.558 1.00 0.00 C ATOM 285 CG PRO A 95 53.707 -4.063 9.136 1.00 0.00 C ATOM 286 CD PRO A 95 52.763 -4.676 8.137 1.00 0.00 C ATOM 0 HA PRO A 95 53.894 -2.115 6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.058 -2.414 8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.366 -1.974 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 95 54.582 -4.695 9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.227 -3.941 10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 95 52.860 -5.761 8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 95 51.723 -4.456 8.378 1.00 0.00 H new ATOM 294 N LEU A 96 56.446 -2.504 6.756 1.00 0.00 N ATOM 295 CA LEU A 96 57.842 -2.761 6.442 1.00 0.00 C ATOM 296 C LEU A 96 58.354 -3.935 7.234 1.00 0.00 C ATOM 297 O LEU A 96 59.024 -4.775 6.709 1.00 0.00 O ATOM 298 CB LEU A 96 58.640 -1.528 6.751 1.00 0.00 C ATOM 299 CG LEU A 96 58.366 -0.363 5.846 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.387 0.545 6.443 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.613 0.342 5.486 1.00 0.00 C ATOM 0 H LEU A 96 56.267 -1.549 7.067 1.00 0.00 H new ATOM 0 HA LEU A 96 57.941 -3.005 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.437 -1.228 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.700 -1.774 6.694 1.00 0.00 H new ATOM 0 HG LEU A 96 57.936 -0.750 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.206 1.381 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.453 0.010 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.771 0.922 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.380 1.181 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.096 0.712 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.284 -0.346 4.972 1.00 0.00 H new ATOM 313 N SER A 97 57.939 -4.031 8.468 1.00 0.00 N ATOM 314 CA SER A 97 58.303 -5.130 9.350 1.00 0.00 C ATOM 315 C SER A 97 57.810 -6.504 8.806 1.00 0.00 C ATOM 316 O SER A 97 58.276 -7.576 9.229 1.00 0.00 O ATOM 317 CB SER A 97 57.667 -4.852 10.699 1.00 0.00 C ATOM 318 OG SER A 97 58.003 -3.537 11.133 1.00 0.00 O ATOM 0 H SER A 97 57.328 -3.341 8.905 1.00 0.00 H new ATOM 0 HA SER A 97 59.389 -5.192 9.423 1.00 0.00 H new ATOM 0 HB2 SER A 97 56.584 -4.955 10.628 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.010 -5.584 11.430 1.00 0.00 H new ATOM 0 HG SER A 97 57.588 -3.364 12.004 1.00 0.00 H new ATOM 324 N ASP A 98 56.891 -6.460 7.860 1.00 0.00 N ATOM 325 CA ASP A 98 56.273 -7.649 7.335 1.00 0.00 C ATOM 326 C ASP A 98 56.499 -7.756 5.817 1.00 0.00 C ATOM 327 O ASP A 98 56.548 -8.846 5.264 1.00 0.00 O ATOM 328 CB ASP A 98 54.766 -7.558 7.605 1.00 0.00 C ATOM 329 CG ASP A 98 54.041 -8.895 7.604 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.473 -9.851 6.925 1.00 0.00 O ATOM 331 OD2 ASP A 98 53.033 -9.017 8.324 1.00 0.00 O ATOM 0 H ASP A 98 56.556 -5.594 7.437 1.00 0.00 H new ATOM 0 HA ASP A 98 56.709 -8.525 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.612 -7.077 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.313 -6.913 6.851 1.00 0.00 H new ATOM 336 N LEU A 99 56.677 -6.629 5.159 1.00 0.00 N ATOM 337 CA LEU A 99 56.689 -6.564 3.725 1.00 0.00 C ATOM 338 C LEU A 99 58.081 -6.880 3.196 1.00 0.00 C ATOM 339 O LEU A 99 59.085 -6.472 3.815 1.00 0.00 O ATOM 340 CB LEU A 99 56.305 -5.131 3.309 1.00 0.00 C ATOM 341 CG LEU A 99 56.189 -4.826 1.811 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.959 -5.477 1.230 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.168 -3.327 1.576 1.00 0.00 C ATOM 0 H LEU A 99 56.818 -5.728 5.615 1.00 0.00 H new ATOM 0 HA LEU A 99 55.985 -7.289 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.348 -4.893 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.044 -4.450 3.733 1.00 0.00 H new ATOM 0 HG LEU A 99 57.062 -5.239 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.895 -5.249 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 99 55.020 -6.557 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 99 54.072 -5.097 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 99 56.085 -3.127 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.315 -2.889 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.089 -2.886 1.957 1.00 0.00 H new ATOM 355 N LEU A 100 58.159 -7.617 2.090 1.00 0.00 N ATOM 356 CA LEU A 100 59.430 -7.821 1.444 1.00 0.00 C ATOM 357 C LEU A 100 59.737 -6.506 0.785 1.00 0.00 C ATOM 358 O LEU A 100 58.970 -5.996 -0.020 1.00 0.00 O ATOM 359 CB LEU A 100 59.395 -8.918 0.392 1.00 0.00 C ATOM 360 CG LEU A 100 60.741 -9.643 0.044 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.561 -10.537 -1.154 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.894 -8.689 -0.209 1.00 0.00 C ATOM 0 H LEU A 100 57.366 -8.071 1.637 1.00 0.00 H new ATOM 0 HA LEU A 100 60.178 -8.136 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.683 -9.675 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.000 -8.487 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 100 61.000 -10.233 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.504 -11.033 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.800 -11.287 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.248 -9.939 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.793 -9.259 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.649 -8.036 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.069 -8.086 0.682 1.00 0.00 H new ATOM 374 N ILE A 101 60.795 -5.963 1.142 1.00 0.00 N ATOM 375 CA ILE A 101 61.153 -4.677 0.744 1.00 0.00 C ATOM 376 C ILE A 101 62.600 -4.700 0.275 1.00 0.00 C ATOM 377 O ILE A 101 63.383 -5.439 0.830 1.00 0.00 O ATOM 378 CB ILE A 101 60.936 -3.829 1.983 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.688 -2.990 1.801 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.159 -2.992 2.336 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.135 -2.356 3.002 1.00 0.00 C ATOM 0 H ILE A 101 61.479 -6.413 1.750 1.00 0.00 H new ATOM 0 HA ILE A 101 60.575 -4.279 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 101 60.788 -4.489 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.908 -2.207 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.915 -3.622 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.952 -2.404 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 101 63.008 -3.649 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.394 -2.323 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.245 -1.786 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.870 -3.123 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.878 -1.687 3.435 1.00 0.00 H new ATOM 393 N ARG A 102 62.964 -3.932 -0.751 1.00 0.00 N ATOM 394 CA ARG A 102 64.337 -4.020 -1.286 1.00 0.00 C ATOM 395 C ARG A 102 64.860 -2.699 -1.766 1.00 0.00 C ATOM 396 O ARG A 102 64.098 -1.803 -2.046 1.00 0.00 O ATOM 397 CB ARG A 102 64.422 -5.012 -2.456 1.00 0.00 C ATOM 398 CG ARG A 102 63.987 -6.429 -2.161 1.00 0.00 C ATOM 399 CD ARG A 102 63.774 -7.255 -3.406 1.00 0.00 C ATOM 400 NE ARG A 102 63.556 -8.667 -3.080 1.00 0.00 N ATOM 401 CZ ARG A 102 63.330 -9.637 -3.969 1.00 0.00 C ATOM 402 NH1 ARG A 102 63.223 -9.349 -5.265 1.00 0.00 N ATOM 403 NH2 ARG A 102 63.211 -10.892 -3.552 1.00 0.00 N ATOM 0 H ARG A 102 62.356 -3.261 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 102 64.948 -4.362 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.812 -4.630 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.452 -5.036 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.739 -6.911 -1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.062 -6.406 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 102 62.916 -6.871 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.641 -7.161 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 102 63.579 -8.930 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 102 63.314 -8.384 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 102 63.050 -10.094 -5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 102 63.292 -11.109 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 102 63.038 -11.639 -4.225 1.00 0.00 H new ATOM 417 N CYS A 103 66.196 -2.610 -1.832 1.00 0.00 N ATOM 418 CA CYS A 103 66.884 -1.493 -2.388 1.00 0.00 C ATOM 419 C CYS A 103 66.367 -1.236 -3.838 1.00 0.00 C ATOM 420 O CYS A 103 65.935 -2.173 -4.524 1.00 0.00 O ATOM 421 CB CYS A 103 68.363 -1.800 -2.460 1.00 0.00 C ATOM 422 SG CYS A 103 69.364 -0.282 -2.704 1.00 0.00 S ATOM 0 H CYS A 103 66.819 -3.340 -1.487 1.00 0.00 H new ATOM 0 HA CYS A 103 66.709 -0.617 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.676 -2.298 -1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.550 -2.494 -3.279 1.00 0.00 H new ATOM 427 N ILE A 104 66.434 -0.019 -4.306 1.00 0.00 N ATOM 428 CA ILE A 104 65.913 0.315 -5.623 1.00 0.00 C ATOM 429 C ILE A 104 66.910 0.049 -6.691 1.00 0.00 C ATOM 430 O ILE A 104 66.585 -0.337 -7.812 1.00 0.00 O ATOM 431 CB ILE A 104 65.375 1.772 -5.684 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.445 1.942 -6.844 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.495 2.767 -5.822 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.521 3.065 -6.634 1.00 0.00 C ATOM 0 H ILE A 104 66.844 0.766 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 104 65.063 -0.343 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 104 64.845 1.955 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.023 2.110 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.876 1.024 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 104 66.083 3.775 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 104 67.165 2.682 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 104 67.050 2.565 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.861 3.159 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.926 2.884 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 104 64.090 3.986 -6.511 1.00 0.00 H new ATOM 446 N ASN A 105 68.111 0.188 -6.315 1.00 0.00 N ATOM 447 CA ASN A 105 69.202 0.028 -7.183 1.00 0.00 C ATOM 448 C ASN A 105 69.865 -1.305 -6.977 1.00 0.00 C ATOM 449 O ASN A 105 70.452 -1.851 -7.900 1.00 0.00 O ATOM 450 CB ASN A 105 70.167 1.190 -7.020 1.00 0.00 C ATOM 451 CG ASN A 105 70.362 1.607 -5.677 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.683 2.484 -5.157 1.00 0.00 O ATOM 453 ND2 ASN A 105 71.283 0.993 -5.078 1.00 0.00 N ATOM 0 H ASN A 105 68.376 0.425 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 105 68.845 0.038 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.131 0.908 -7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 105 69.799 2.036 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 105 71.497 1.217 -4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 105 71.815 0.271 -5.564 1.00 0.00 H new ATOM 460 N CYS A 106 69.737 -1.869 -5.786 1.00 0.00 N ATOM 461 CA CYS A 106 70.329 -3.198 -5.552 1.00 0.00 C ATOM 462 C CYS A 106 69.312 -4.316 -5.736 1.00 0.00 C ATOM 463 O CYS A 106 69.651 -5.372 -6.259 1.00 0.00 O ATOM 464 CB CYS A 106 70.954 -3.386 -4.146 1.00 0.00 C ATOM 465 SG CYS A 106 72.342 -2.320 -3.659 1.00 0.00 S ATOM 0 H CYS A 106 69.251 -1.457 -4.989 1.00 0.00 H new ATOM 0 HA CYS A 106 71.122 -3.253 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.160 -3.252 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.289 -4.420 -4.069 1.00 0.00 H new ATOM 470 N GLN A 107 68.064 -4.074 -5.286 1.00 0.00 N ATOM 471 CA GLN A 107 67.018 -5.082 -5.200 1.00 0.00 C ATOM 472 C GLN A 107 67.341 -6.081 -4.128 1.00 0.00 C ATOM 473 O GLN A 107 66.839 -7.209 -4.085 1.00 0.00 O ATOM 474 CB GLN A 107 66.711 -5.726 -6.495 1.00 0.00 C ATOM 475 CG GLN A 107 66.108 -4.749 -7.434 1.00 0.00 C ATOM 476 CD GLN A 107 67.065 -4.367 -8.514 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.121 -4.996 -9.563 1.00 0.00 O ATOM 478 NE2 GLN A 107 67.817 -3.344 -8.264 1.00 0.00 N ATOM 0 H GLN A 107 67.762 -3.153 -4.970 1.00 0.00 H new ATOM 0 HA GLN A 107 66.100 -4.565 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 107 67.623 -6.139 -6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.026 -6.560 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.209 -5.176 -7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 107 65.801 -3.858 -6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 107 67.731 -2.854 -7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.495 -3.028 -8.957 1.00 0.00 H new ATOM 487 N LYS A 108 68.175 -5.616 -3.248 1.00 0.00 N ATOM 488 CA LYS A 108 68.558 -6.281 -2.061 1.00 0.00 C ATOM 489 C LYS A 108 67.510 -5.994 -1.063 1.00 0.00 C ATOM 490 O LYS A 108 67.211 -4.842 -0.829 1.00 0.00 O ATOM 491 CB LYS A 108 69.809 -5.650 -1.562 1.00 0.00 C ATOM 492 CG LYS A 108 70.232 -6.175 -0.239 1.00 0.00 C ATOM 493 CD LYS A 108 71.195 -5.259 0.430 1.00 0.00 C ATOM 494 CE LYS A 108 70.465 -4.119 1.087 1.00 0.00 C ATOM 495 NZ LYS A 108 71.403 -3.265 1.844 1.00 0.00 N ATOM 0 H LYS A 108 68.627 -4.708 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 108 68.695 -7.349 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.607 -5.816 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.663 -4.572 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.357 -6.311 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.690 -7.156 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.771 -5.808 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.905 -4.872 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.954 -3.524 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.699 -4.509 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.886 -2.759 2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.142 -3.857 2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.843 -2.577 1.200 1.00 0.00 H new ATOM 509 N PRO A 109 66.943 -6.989 -0.478 1.00 0.00 N ATOM 510 CA PRO A 109 65.923 -6.795 0.491 1.00 0.00 C ATOM 511 C PRO A 109 66.445 -6.132 1.766 1.00 0.00 C ATOM 512 O PRO A 109 67.361 -6.624 2.416 1.00 0.00 O ATOM 513 CB PRO A 109 65.333 -8.168 0.726 1.00 0.00 C ATOM 514 CG PRO A 109 66.104 -9.109 -0.157 1.00 0.00 C ATOM 515 CD PRO A 109 67.265 -8.382 -0.695 1.00 0.00 C ATOM 0 HA PRO A 109 65.160 -6.099 0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.421 -8.456 1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.271 -8.184 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.430 -9.981 0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.473 -9.473 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.184 -8.663 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.414 -8.596 -1.753 1.00 0.00 H new ATOM 523 N LEU A 110 65.849 -5.011 2.080 1.00 0.00 N ATOM 524 CA LEU A 110 66.241 -4.173 3.183 1.00 0.00 C ATOM 525 C LEU A 110 65.530 -4.624 4.408 1.00 0.00 C ATOM 526 O LEU A 110 64.364 -5.022 4.355 1.00 0.00 O ATOM 527 CB LEU A 110 65.900 -2.715 2.866 1.00 0.00 C ATOM 528 CG LEU A 110 66.221 -2.198 1.491 1.00 0.00 C ATOM 529 CD1 LEU A 110 65.915 -0.726 1.422 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.648 -2.435 1.179 1.00 0.00 C ATOM 0 H LEU A 110 65.052 -4.645 1.559 1.00 0.00 H new ATOM 0 HA LEU A 110 67.316 -4.247 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.832 -2.578 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.419 -2.086 3.589 1.00 0.00 H new ATOM 0 HG LEU A 110 65.611 -2.726 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.148 -0.352 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.858 -0.564 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.517 -0.194 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.870 -2.057 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.271 -1.919 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.856 -3.504 1.216 1.00 0.00 H new ATOM 542 N SER A 111 66.215 -4.587 5.484 1.00 0.00 N ATOM 543 CA SER A 111 65.711 -5.031 6.737 1.00 0.00 C ATOM 544 C SER A 111 65.280 -3.768 7.514 1.00 0.00 C ATOM 545 O SER A 111 65.380 -2.666 6.940 1.00 0.00 O ATOM 546 CB SER A 111 66.836 -5.812 7.430 1.00 0.00 C ATOM 547 OG SER A 111 67.332 -6.845 6.576 1.00 0.00 O ATOM 0 H SER A 111 67.172 -4.237 5.526 1.00 0.00 H new ATOM 0 HA SER A 111 64.849 -5.694 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 111 67.646 -5.133 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.466 -6.247 8.358 1.00 0.00 H new ATOM 0 HG SER A 111 68.050 -7.331 7.033 1.00 0.00 H new ATOM 553 N PRO A 112 64.757 -3.861 8.791 1.00 0.00 N ATOM 554 CA PRO A 112 64.351 -2.676 9.572 1.00 0.00 C ATOM 555 C PRO A 112 65.424 -1.595 9.594 1.00 0.00 C ATOM 556 O PRO A 112 65.116 -0.436 9.661 1.00 0.00 O ATOM 557 CB PRO A 112 64.113 -3.226 10.971 1.00 0.00 C ATOM 558 CG PRO A 112 63.682 -4.619 10.731 1.00 0.00 C ATOM 559 CD PRO A 112 64.487 -5.099 9.553 1.00 0.00 C ATOM 0 HA PRO A 112 63.475 -2.192 9.141 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.018 -3.186 11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.350 -2.656 11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 112 63.863 -5.241 11.608 1.00 0.00 H new ATOM 0 HG3 PRO A 112 62.614 -4.667 10.521 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.410 -5.585 9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 112 63.933 -5.824 8.957 1.00 0.00 H new ATOM 567 N GLU A 113 66.671 -2.007 9.471 1.00 0.00 N ATOM 568 CA GLU A 113 67.800 -1.110 9.412 1.00 0.00 C ATOM 569 C GLU A 113 67.675 -0.078 8.277 1.00 0.00 C ATOM 570 O GLU A 113 67.788 1.119 8.520 1.00 0.00 O ATOM 571 CB GLU A 113 69.110 -1.903 9.335 1.00 0.00 C ATOM 572 CG GLU A 113 69.104 -3.052 8.328 1.00 0.00 C ATOM 573 CD GLU A 113 70.402 -3.804 8.300 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.388 -3.298 7.734 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.469 -4.913 8.870 1.00 0.00 O ATOM 0 H GLU A 113 66.928 -2.992 9.409 1.00 0.00 H new ATOM 0 HA GLU A 113 67.811 -0.531 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 113 69.919 -1.218 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.334 -2.305 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.295 -3.740 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 113 68.896 -2.657 7.334 1.00 0.00 H new ATOM 582 N GLU A 114 67.414 -0.518 7.055 1.00 0.00 N ATOM 583 CA GLU A 114 67.263 0.426 5.965 1.00 0.00 C ATOM 584 C GLU A 114 65.846 0.958 5.897 1.00 0.00 C ATOM 585 O GLU A 114 65.607 2.064 5.454 1.00 0.00 O ATOM 586 CB GLU A 114 67.587 -0.229 4.699 1.00 0.00 C ATOM 587 CG GLU A 114 68.978 -0.768 4.637 1.00 0.00 C ATOM 588 CD GLU A 114 69.040 -2.272 4.671 1.00 0.00 C ATOM 589 OE1 GLU A 114 68.273 -2.903 5.409 1.00 0.00 O ATOM 590 OE2 GLU A 114 69.855 -2.851 3.934 1.00 0.00 O ATOM 0 H GLU A 114 67.305 -1.499 6.799 1.00 0.00 H new ATOM 0 HA GLU A 114 67.942 1.260 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 114 66.884 -1.045 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.447 0.483 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.457 -0.413 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.552 -0.369 5.474 1.00 0.00 H new ATOM 597 N LYS A 115 64.912 0.156 6.331 1.00 0.00 N ATOM 598 CA LYS A 115 63.503 0.551 6.420 1.00 0.00 C ATOM 599 C LYS A 115 63.356 1.750 7.320 1.00 0.00 C ATOM 600 O LYS A 115 62.658 2.694 6.998 1.00 0.00 O ATOM 601 CB LYS A 115 62.723 -0.610 6.970 1.00 0.00 C ATOM 602 CG LYS A 115 62.504 -1.728 5.955 1.00 0.00 C ATOM 603 CD LYS A 115 61.966 -3.033 6.558 1.00 0.00 C ATOM 604 CE LYS A 115 61.610 -3.996 5.445 1.00 0.00 C ATOM 605 NZ LYS A 115 61.421 -5.404 5.884 1.00 0.00 N ATOM 0 H LYS A 115 65.092 -0.800 6.639 1.00 0.00 H new ATOM 0 HA LYS A 115 63.126 0.820 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.248 -1.013 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.755 -0.254 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.807 -1.379 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.448 -1.936 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.714 -3.479 7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.088 -2.828 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.694 -3.653 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.396 -3.966 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.434 -6.031 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.189 -5.672 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.508 -5.496 6.373 1.00 0.00 H new ATOM 619 N GLN A 116 64.072 1.734 8.417 1.00 0.00 N ATOM 620 CA GLN A 116 64.105 2.829 9.376 1.00 0.00 C ATOM 621 C GLN A 116 64.751 4.031 8.787 1.00 0.00 C ATOM 622 O GLN A 116 64.585 5.123 9.261 1.00 0.00 O ATOM 623 CB GLN A 116 64.825 2.392 10.638 1.00 0.00 C ATOM 624 CG GLN A 116 63.935 1.968 11.840 1.00 0.00 C ATOM 625 CD GLN A 116 62.856 0.868 11.588 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.283 0.813 10.414 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 62.539 0.090 12.487 1.00 0.00 N flip ATOM 0 H GLN A 116 64.663 0.946 8.681 1.00 0.00 H new ATOM 0 HA GLN A 116 63.080 3.096 9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.476 1.555 10.385 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.468 3.210 10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.591 1.619 12.637 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.427 2.858 12.212 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.997 0.148 13.397 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.818 -0.613 12.323 1.00 0.00 H new ATOM 636 N ARG A 117 65.417 3.849 7.713 1.00 0.00 N ATOM 637 CA ARG A 117 66.032 4.977 7.064 1.00 0.00 C ATOM 638 C ARG A 117 64.922 5.751 6.337 1.00 0.00 C ATOM 639 O ARG A 117 64.952 6.972 6.216 1.00 0.00 O ATOM 640 CB ARG A 117 67.130 4.543 6.081 1.00 0.00 C ATOM 641 CG ARG A 117 68.023 5.655 5.651 1.00 0.00 C ATOM 642 CD ARG A 117 69.267 5.141 4.995 1.00 0.00 C ATOM 643 NE ARG A 117 70.182 4.574 5.990 1.00 0.00 N ATOM 644 CZ ARG A 117 71.357 5.114 6.370 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.823 6.222 5.775 1.00 0.00 N ATOM 646 NH2 ARG A 117 72.053 4.540 7.346 1.00 0.00 N ATOM 0 H ARG A 117 65.559 2.948 7.256 1.00 0.00 H new ATOM 0 HA ARG A 117 66.520 5.608 7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.734 3.763 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.663 4.102 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 117 67.488 6.305 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 117 68.291 6.262 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 117 69.008 4.381 4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 117 69.762 5.950 4.458 1.00 0.00 H new ATOM 0 HE ARG A 117 69.906 3.697 6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 117 71.287 6.664 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 117 72.713 6.623 6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 117 71.697 3.699 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 117 72.943 4.941 7.641 1.00 0.00 H new ATOM 660 N HIS A 118 63.928 5.021 5.905 1.00 0.00 N ATOM 661 CA HIS A 118 62.790 5.579 5.206 1.00 0.00 C ATOM 662 C HIS A 118 61.672 5.940 6.171 1.00 0.00 C ATOM 663 O HIS A 118 60.747 6.687 5.817 1.00 0.00 O ATOM 664 CB HIS A 118 62.295 4.599 4.161 1.00 0.00 C ATOM 665 CG HIS A 118 63.381 4.242 3.154 1.00 0.00 C ATOM 666 ND1 HIS A 118 64.043 5.173 2.390 1.00 0.00 N ATOM 667 CD2 HIS A 118 64.006 3.075 2.909 1.00 0.00 C ATOM 668 CE1 HIS A 118 65.042 4.551 1.760 1.00 0.00 C ATOM 669 NE2 HIS A 118 65.052 3.280 2.031 1.00 0.00 N ATOM 0 H HIS A 118 63.881 4.010 6.028 1.00 0.00 H new ATOM 0 HA HIS A 118 63.108 6.497 4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.944 3.692 4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.441 5.028 3.637 1.00 0.00 H new ATOM 0 HD1 HIS A 118 63.812 6.164 2.317 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.731 2.122 3.335 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.751 5.041 1.109 1.00 0.00 H new ATOM 677 N LEU A 119 61.749 5.395 7.369 1.00 0.00 N ATOM 678 CA LEU A 119 60.756 5.652 8.406 1.00 0.00 C ATOM 679 C LEU A 119 61.211 6.750 9.338 1.00 0.00 C ATOM 680 O LEU A 119 60.550 7.763 9.468 1.00 0.00 O ATOM 681 CB LEU A 119 60.465 4.405 9.235 1.00 0.00 C ATOM 682 CG LEU A 119 60.104 3.134 8.490 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.529 2.104 9.435 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.159 3.422 7.380 1.00 0.00 C ATOM 0 H LEU A 119 62.497 4.763 7.655 1.00 0.00 H new ATOM 0 HA LEU A 119 59.847 5.959 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.342 4.197 9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.647 4.638 9.917 1.00 0.00 H new ATOM 0 HG LEU A 119 61.016 2.723 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.277 1.201 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.264 1.864 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.630 2.503 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.915 2.495 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.247 3.863 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.621 4.119 6.681 1.00 0.00 H new ATOM 696 N ASP A 120 62.332 6.513 9.990 1.00 0.00 N ATOM 697 CA ASP A 120 62.937 7.461 10.948 1.00 0.00 C ATOM 698 C ASP A 120 63.420 8.701 10.242 1.00 0.00 C ATOM 699 O ASP A 120 62.965 9.804 10.516 1.00 0.00 O ATOM 700 CB ASP A 120 64.144 6.815 11.618 1.00 0.00 C ATOM 701 CG ASP A 120 64.743 7.650 12.725 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.235 7.616 13.862 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.763 8.319 12.485 1.00 0.00 O ATOM 0 H ASP A 120 62.866 5.651 9.879 1.00 0.00 H new ATOM 0 HA ASP A 120 62.175 7.724 11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 120 63.849 5.848 12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.908 6.625 10.864 1.00 0.00 H new ATOM 708 N LYS A 121 64.348 8.502 9.313 1.00 0.00 N ATOM 709 CA LYS A 121 64.956 9.612 8.594 1.00 0.00 C ATOM 710 C LYS A 121 64.075 10.040 7.456 1.00 0.00 C ATOM 711 O LYS A 121 64.247 11.111 6.896 1.00 0.00 O ATOM 712 CB LYS A 121 66.310 9.240 8.055 1.00 0.00 C ATOM 713 CG LYS A 121 67.242 8.633 9.064 1.00 0.00 C ATOM 714 CD LYS A 121 68.628 8.483 8.474 1.00 0.00 C ATOM 715 CE LYS A 121 69.500 7.604 9.324 1.00 0.00 C ATOM 716 NZ LYS A 121 69.684 8.118 10.702 1.00 0.00 N ATOM 0 H LYS A 121 64.695 7.582 9.041 1.00 0.00 H new ATOM 0 HA LYS A 121 65.074 10.434 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 121 66.178 8.536 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.778 10.132 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 121 67.284 9.261 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.865 7.659 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.553 8.062 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 121 69.089 9.465 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 121 69.063 6.607 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.475 7.502 8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.374 7.524 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 70.033 9.097 10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.774 8.094 11.206 1.00 0.00 H new ATOM 730 N LYS A 122 63.150 9.151 7.106 1.00 0.00 N ATOM 731 CA LYS A 122 62.113 9.387 6.116 1.00 0.00 C ATOM 732 C LYS A 122 62.704 9.687 4.723 1.00 0.00 C ATOM 733 O LYS A 122 62.215 10.534 4.024 1.00 0.00 O ATOM 734 CB LYS A 122 61.220 10.537 6.584 1.00 0.00 C ATOM 735 CG LYS A 122 60.853 10.463 8.028 1.00 0.00 C ATOM 736 CD LYS A 122 60.123 11.692 8.479 1.00 0.00 C ATOM 737 CE LYS A 122 58.706 11.731 7.974 1.00 0.00 C ATOM 738 NZ LYS A 122 57.996 12.944 8.399 1.00 0.00 N ATOM 0 H LYS A 122 63.103 8.219 7.518 1.00 0.00 H new ATOM 0 HA LYS A 122 61.519 8.479 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.731 11.481 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 122 60.308 10.543 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 122 60.229 9.586 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.755 10.335 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 122 60.120 11.731 9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 122 60.655 12.577 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.709 11.677 6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.170 10.853 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 57.025 12.926 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 57.969 12.984 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 58.491 13.782 8.033 1.00 0.00 H new ATOM 752 N GLN A 123 63.721 8.924 4.305 1.00 0.00 N ATOM 753 CA GLN A 123 64.398 9.147 2.979 1.00 0.00 C ATOM 754 C GLN A 123 63.450 9.052 1.757 1.00 0.00 C ATOM 755 O GLN A 123 63.849 9.394 0.661 1.00 0.00 O ATOM 756 CB GLN A 123 65.506 8.124 2.721 1.00 0.00 C ATOM 757 CG GLN A 123 66.586 8.003 3.753 1.00 0.00 C ATOM 758 CD GLN A 123 67.332 9.267 4.092 1.00 0.00 C ATOM 759 OE1 GLN A 123 67.847 9.292 5.293 1.00 0.00 O flip ATOM 760 NE2 GLN A 123 67.477 10.176 3.281 1.00 0.00 N flip ATOM 0 H GLN A 123 64.105 8.149 4.845 1.00 0.00 H new ATOM 0 HA GLN A 123 64.788 10.161 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.040 7.145 2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.976 8.369 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 123 66.142 7.612 4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 123 67.307 7.263 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 123 67.053 10.106 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 123 68.021 11.001 3.532 1.00 0.00 H new ATOM 769 N ARG A 124 62.233 8.550 1.964 1.00 0.00 N ATOM 770 CA ARG A 124 61.242 8.284 0.889 1.00 0.00 C ATOM 771 C ARG A 124 61.681 7.115 0.017 1.00 0.00 C ATOM 772 O ARG A 124 62.851 6.710 0.022 1.00 0.00 O ATOM 773 CB ARG A 124 60.948 9.494 -0.035 1.00 0.00 C ATOM 774 CG ARG A 124 60.452 10.749 0.643 1.00 0.00 C ATOM 775 CD ARG A 124 60.056 11.797 -0.392 1.00 0.00 C ATOM 776 NE ARG A 124 58.830 11.421 -1.131 1.00 0.00 N ATOM 777 CZ ARG A 124 58.643 11.511 -2.466 1.00 0.00 C ATOM 778 NH1 ARG A 124 59.653 11.817 -3.277 1.00 0.00 N ATOM 779 NH2 ARG A 124 57.429 11.275 -2.975 1.00 0.00 N ATOM 0 H ARG A 124 61.890 8.308 2.894 1.00 0.00 H new ATOM 0 HA ARG A 124 60.321 8.053 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 124 61.860 9.737 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.207 9.188 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 124 59.596 10.513 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 124 61.229 11.149 1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 124 59.899 12.754 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 124 60.875 11.935 -1.098 1.00 0.00 H new ATOM 0 HE ARG A 124 58.052 11.059 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 124 60.582 11.987 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 124 59.498 11.882 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 124 56.656 11.030 -2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 124 57.276 11.340 -3.981 1.00 0.00 H new ATOM 793 N PHE A 125 60.733 6.559 -0.674 1.00 0.00 N ATOM 794 CA PHE A 125 60.972 5.463 -1.646 1.00 0.00 C ATOM 795 C PHE A 125 59.768 5.314 -2.579 1.00 0.00 C ATOM 796 O PHE A 125 58.877 6.166 -2.579 1.00 0.00 O ATOM 797 CB PHE A 125 61.247 4.114 -0.913 1.00 0.00 C ATOM 798 CG PHE A 125 60.273 3.799 0.177 1.00 0.00 C ATOM 799 CD1 PHE A 125 58.976 4.220 0.096 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.669 3.160 1.313 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.116 3.998 1.065 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.776 2.954 2.315 1.00 0.00 C ATOM 803 CZ PHE A 125 58.516 3.364 2.177 1.00 0.00 C ATOM 0 H PHE A 125 59.754 6.834 -0.600 1.00 0.00 H new ATOM 0 HA PHE A 125 61.853 5.719 -2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.230 3.306 -1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.252 4.141 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.649 4.749 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.688 2.819 1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.091 4.325 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 125 60.087 2.458 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.807 3.183 2.971 1.00 0.00 H new ATOM 813 N HIS A 126 59.727 4.219 -3.300 1.00 0.00 N ATOM 814 CA HIS A 126 58.646 3.892 -4.181 1.00 0.00 C ATOM 815 C HIS A 126 57.848 2.729 -3.545 1.00 0.00 C ATOM 816 O HIS A 126 58.426 1.934 -2.840 1.00 0.00 O ATOM 817 CB HIS A 126 59.240 3.457 -5.520 1.00 0.00 C ATOM 818 CG HIS A 126 58.241 3.408 -6.606 1.00 0.00 C ATOM 819 ND1 HIS A 126 57.104 2.711 -6.687 1.00 0.00 N flip ATOM 820 CD2 HIS A 126 58.326 4.140 -7.749 1.00 0.00 C flip ATOM 821 CE1 HIS A 126 56.470 3.005 -7.884 1.00 0.00 C flip ATOM 822 NE2 HIS A 126 57.257 3.880 -8.480 1.00 0.00 N flip ATOM 0 H HIS A 126 60.467 3.517 -3.285 1.00 0.00 H new ATOM 0 HA HIS A 126 57.984 4.744 -4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 126 60.037 4.146 -5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.694 2.473 -5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 126 59.127 4.815 -8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 126 55.536 2.605 -8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 126 57.065 4.302 -9.389 1.00 0.00 H new ATOM 830 N ASN A 127 56.534 2.668 -3.774 1.00 0.00 N ATOM 831 CA ASN A 127 55.644 1.593 -3.257 1.00 0.00 C ATOM 832 C ASN A 127 55.191 0.713 -4.392 1.00 0.00 C ATOM 833 O ASN A 127 54.752 1.211 -5.399 1.00 0.00 O ATOM 834 CB ASN A 127 54.393 2.174 -2.579 1.00 0.00 C ATOM 835 CG ASN A 127 54.707 3.092 -1.438 1.00 0.00 C ATOM 836 OD1 ASN A 127 53.935 3.970 -1.103 1.00 0.00 O ATOM 837 ND2 ASN A 127 55.844 2.926 -0.869 1.00 0.00 N ATOM 0 H ASN A 127 56.040 3.366 -4.329 1.00 0.00 H new ATOM 0 HA ASN A 127 56.216 1.022 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 127 53.805 2.716 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.772 1.355 -2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.128 3.542 -0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.465 2.178 -1.178 1.00 0.00 H new ATOM 844 N ILE A 128 55.317 -0.593 -4.238 1.00 0.00 N ATOM 845 CA ILE A 128 54.982 -1.535 -5.272 1.00 0.00 C ATOM 846 C ILE A 128 53.905 -2.486 -4.723 1.00 0.00 C ATOM 847 O ILE A 128 53.556 -2.395 -3.572 1.00 0.00 O ATOM 848 CB ILE A 128 56.305 -2.278 -5.755 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.242 -1.246 -6.377 1.00 0.00 C ATOM 850 CG2 ILE A 128 56.033 -3.393 -6.759 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.060 -0.409 -5.449 1.00 0.00 C ATOM 0 H ILE A 128 55.659 -1.026 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 128 54.567 -1.045 -6.153 1.00 0.00 H new ATOM 0 HB ILE A 128 56.757 -2.749 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.924 -1.771 -7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.643 -0.576 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.975 -3.860 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.382 -4.140 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.548 -2.977 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.677 0.278 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.400 0.160 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.701 -1.053 -4.847 1.00 0.00 H new ATOM 863 N ARG A 129 53.330 -3.324 -5.510 1.00 0.00 N ATOM 864 CA ARG A 129 52.326 -4.198 -4.994 1.00 0.00 C ATOM 865 C ARG A 129 52.973 -5.474 -4.501 1.00 0.00 C ATOM 866 O ARG A 129 53.473 -6.271 -5.290 1.00 0.00 O ATOM 867 CB ARG A 129 51.270 -4.479 -6.055 1.00 0.00 C ATOM 868 CG ARG A 129 49.942 -4.948 -5.492 1.00 0.00 C ATOM 869 CD ARG A 129 49.444 -3.930 -4.480 1.00 0.00 C ATOM 870 NE ARG A 129 48.049 -4.117 -4.079 1.00 0.00 N ATOM 871 CZ ARG A 129 47.375 -3.294 -3.249 1.00 0.00 C ATOM 872 NH1 ARG A 129 47.984 -2.240 -2.712 1.00 0.00 N ATOM 873 NH2 ARG A 129 46.111 -3.549 -2.942 1.00 0.00 N ATOM 0 H ARG A 129 53.531 -3.427 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 129 51.823 -3.721 -4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.106 -3.573 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 129 51.650 -5.236 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 129 49.214 -5.067 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 129 50.057 -5.923 -5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 129 50.075 -3.978 -3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.559 -2.931 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 129 47.552 -4.925 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 129 48.963 -2.052 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 129 47.472 -1.620 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.646 -4.368 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 129 45.603 -2.926 -2.314 1.00 0.00 H new ATOM 887 N GLY A 130 53.042 -5.611 -3.200 1.00 0.00 N ATOM 888 CA GLY A 130 53.581 -6.811 -2.604 1.00 0.00 C ATOM 889 C GLY A 130 54.983 -6.614 -2.080 1.00 0.00 C ATOM 890 O GLY A 130 55.468 -7.412 -1.264 1.00 0.00 O ATOM 0 H GLY A 130 52.731 -4.906 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.933 -7.131 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.582 -7.612 -3.343 1.00 0.00 H new ATOM 894 N ARG A 131 55.663 -5.607 -2.594 1.00 0.00 N ATOM 895 CA ARG A 131 57.002 -5.268 -2.160 1.00 0.00 C ATOM 896 C ARG A 131 57.210 -3.822 -2.420 1.00 0.00 C ATOM 897 O ARG A 131 56.303 -3.162 -2.902 1.00 0.00 O ATOM 898 CB ARG A 131 58.037 -6.030 -2.982 1.00 0.00 C ATOM 899 CG ARG A 131 58.074 -5.630 -4.454 1.00 0.00 C ATOM 900 CD ARG A 131 59.469 -5.210 -4.852 1.00 0.00 C ATOM 901 NE ARG A 131 59.594 -4.916 -6.283 1.00 0.00 N ATOM 902 CZ ARG A 131 60.564 -4.178 -6.842 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.495 -3.610 -6.087 1.00 0.00 N ATOM 904 NH2 ARG A 131 60.606 -4.013 -8.160 1.00 0.00 N ATOM 0 H ARG A 131 55.299 -4.999 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 131 57.113 -5.519 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 131 59.023 -5.868 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.829 -7.098 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.749 -6.466 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.376 -4.812 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.754 -4.327 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 131 60.170 -6.002 -4.587 1.00 0.00 H new ATOM 0 HE ARG A 131 58.885 -5.305 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.476 -3.733 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 131 62.230 -3.050 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 131 59.898 -4.449 -8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 131 61.346 -3.451 -8.580 1.00 0.00 H new ATOM 918 N TRP A 132 58.378 -3.306 -2.104 1.00 0.00 N ATOM 919 CA TRP A 132 58.756 -2.095 -2.712 1.00 0.00 C ATOM 920 C TRP A 132 60.228 -2.012 -3.091 1.00 0.00 C ATOM 921 O TRP A 132 60.957 -3.018 -3.057 1.00 0.00 O ATOM 922 CB TRP A 132 58.255 -0.867 -2.013 1.00 0.00 C ATOM 923 CG TRP A 132 58.626 -0.529 -0.651 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.811 -0.189 0.299 1.00 0.00 C ATOM 925 CD2 TRP A 132 59.954 -0.403 -0.119 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.517 0.153 1.413 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.863 0.007 1.152 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.171 -0.630 -0.615 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.020 0.210 1.956 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.279 -0.454 0.120 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.214 -0.035 1.385 1.00 0.00 C ATOM 0 H TRP A 132 59.049 -3.707 -1.448 1.00 0.00 H new ATOM 0 HA TRP A 132 58.223 -2.114 -3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.544 -0.018 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.167 -0.921 -2.033 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.734 -0.179 0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.115 0.466 2.297 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.267 -0.965 -1.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 60.943 0.546 2.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.244 -0.656 -0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.122 0.108 1.952 1.00 0.00 H new ATOM 942 N THR A 133 60.664 -0.811 -3.461 1.00 0.00 N ATOM 943 CA THR A 133 61.990 -0.553 -3.789 1.00 0.00 C ATOM 944 C THR A 133 62.364 0.834 -3.131 1.00 0.00 C ATOM 945 O THR A 133 61.669 1.852 -3.283 1.00 0.00 O ATOM 946 CB THR A 133 62.085 -0.592 -5.317 1.00 0.00 C ATOM 947 OG1 THR A 133 63.373 -0.680 -5.775 1.00 0.00 O ATOM 948 CG2 THR A 133 61.315 0.521 -5.946 1.00 0.00 C ATOM 0 H THR A 133 60.058 0.006 -3.531 1.00 0.00 H new ATOM 0 HA THR A 133 62.707 -1.282 -3.411 1.00 0.00 H new ATOM 0 HB THR A 133 61.609 -1.520 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.371 -1.018 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.407 0.459 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.265 0.441 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.710 1.477 -5.602 1.00 0.00 H new ATOM 956 N GLY A 134 63.382 0.769 -2.319 1.00 0.00 N ATOM 957 CA GLY A 134 63.867 1.840 -1.492 1.00 0.00 C ATOM 958 C GLY A 134 65.269 2.116 -1.823 1.00 0.00 C ATOM 959 O GLY A 134 65.600 2.069 -2.929 1.00 0.00 O ATOM 0 H GLY A 134 63.929 -0.085 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.263 2.734 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.777 1.571 -0.440 1.00 0.00 H new ATOM 963 N ARG A 135 66.098 2.346 -0.873 1.00 0.00 N ATOM 964 CA ARG A 135 67.527 2.575 -1.114 1.00 0.00 C ATOM 965 C ARG A 135 68.231 2.215 0.091 1.00 0.00 C ATOM 966 O ARG A 135 68.021 2.843 1.137 1.00 0.00 O ATOM 967 CB ARG A 135 67.811 4.045 -1.524 1.00 0.00 C ATOM 968 CG ARG A 135 67.360 4.330 -2.937 1.00 0.00 C ATOM 969 CD ARG A 135 67.307 5.764 -3.311 1.00 0.00 C ATOM 970 NE ARG A 135 68.628 6.376 -3.418 1.00 0.00 N ATOM 971 CZ ARG A 135 68.879 7.499 -4.070 1.00 0.00 C ATOM 972 NH1 ARG A 135 67.886 8.158 -4.678 1.00 0.00 N ATOM 973 NH2 ARG A 135 70.126 7.963 -4.131 1.00 0.00 N ATOM 0 H ARG A 135 65.831 2.387 0.111 1.00 0.00 H new ATOM 0 HA ARG A 135 67.870 1.962 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.300 4.719 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 135 68.878 4.247 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.032 3.817 -3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 135 66.369 3.898 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 135 66.787 5.866 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 135 66.721 6.306 -2.569 1.00 0.00 H new ATOM 0 HE ARG A 135 69.409 5.907 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 135 66.934 7.794 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 135 68.081 9.024 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 135 70.883 7.453 -3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 135 70.324 8.829 -4.633 1.00 0.00 H new ATOM 987 N CYS A 136 69.030 1.152 0.010 1.00 0.00 N ATOM 988 CA CYS A 136 69.763 0.764 1.165 1.00 0.00 C ATOM 989 C CYS A 136 70.700 1.849 1.589 1.00 0.00 C ATOM 990 O CYS A 136 70.898 2.797 0.877 1.00 0.00 O ATOM 991 CB CYS A 136 70.442 -0.603 1.030 1.00 0.00 C ATOM 992 SG CYS A 136 71.923 -0.932 -0.017 1.00 0.00 S ATOM 0 H CYS A 136 69.169 0.576 -0.821 1.00 0.00 H new ATOM 0 HA CYS A 136 69.040 0.625 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.713 -0.907 2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.670 -1.291 0.686 1.00 0.00 H new ATOM 997 N MET A 137 71.235 1.721 2.740 1.00 0.00 N ATOM 998 CA MET A 137 72.106 2.739 3.357 1.00 0.00 C ATOM 999 C MET A 137 73.146 3.238 2.407 1.00 0.00 C ATOM 1000 O MET A 137 73.356 4.431 2.272 1.00 0.00 O ATOM 1001 CB MET A 137 72.804 2.166 4.542 1.00 0.00 C ATOM 1002 CG MET A 137 71.996 1.151 5.295 1.00 0.00 C ATOM 1003 SD MET A 137 72.187 -0.524 4.622 1.00 0.00 S ATOM 1004 CE MET A 137 73.952 -0.819 4.805 1.00 0.00 C ATOM 0 H MET A 137 71.099 0.897 3.325 1.00 0.00 H new ATOM 0 HA MET A 137 71.463 3.570 3.647 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.735 1.703 4.214 1.00 0.00 H new ATOM 0 HB3 MET A 137 73.073 2.977 5.220 1.00 0.00 H new ATOM 0 HG2 MET A 137 72.298 1.155 6.342 1.00 0.00 H new ATOM 0 HG3 MET A 137 70.944 1.434 5.265 1.00 0.00 H new ATOM 0 HE1 MET A 137 74.133 -1.888 4.916 1.00 0.00 H new ATOM 0 HE2 MET A 137 74.476 -0.452 3.922 1.00 0.00 H new ATOM 0 HE3 MET A 137 74.319 -0.296 5.688 1.00 0.00 H new ATOM 1014 N SER A 138 73.733 2.333 1.742 1.00 0.00 N ATOM 1015 CA SER A 138 74.754 2.630 0.786 1.00 0.00 C ATOM 1016 C SER A 138 74.192 3.472 -0.383 1.00 0.00 C ATOM 1017 O SER A 138 74.802 4.436 -0.805 1.00 0.00 O ATOM 1018 CB SER A 138 75.322 1.314 0.285 1.00 0.00 C ATOM 1019 OG SER A 138 75.635 0.471 1.399 1.00 0.00 O ATOM 0 H SER A 138 73.526 1.339 1.836 1.00 0.00 H new ATOM 0 HA SER A 138 75.541 3.223 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.601 0.820 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.217 1.496 -0.310 1.00 0.00 H new ATOM 0 HG SER A 138 76.000 -0.379 1.074 1.00 0.00 H new ATOM 1025 N CYS A 139 72.983 3.156 -0.797 1.00 0.00 N ATOM 1026 CA CYS A 139 72.381 3.696 -1.941 1.00 0.00 C ATOM 1027 C CYS A 139 71.503 4.905 -1.676 1.00 0.00 C ATOM 1028 O CYS A 139 71.194 5.674 -2.575 1.00 0.00 O ATOM 1029 CB CYS A 139 71.668 2.566 -2.565 1.00 0.00 C ATOM 1030 SG CYS A 139 72.765 1.192 -2.767 1.00 0.00 S ATOM 0 H CYS A 139 72.390 2.486 -0.307 1.00 0.00 H new ATOM 0 HA CYS A 139 73.129 4.116 -2.613 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.819 2.276 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 139 71.269 2.868 -3.533 1.00 0.00 H new ATOM 1035 N SER A 140 71.115 5.063 -0.469 1.00 0.00 N ATOM 1036 CA SER A 140 70.342 6.164 -0.059 1.00 0.00 C ATOM 1037 C SER A 140 71.264 7.379 0.135 1.00 0.00 C ATOM 1038 O SER A 140 70.885 8.520 -0.123 1.00 0.00 O ATOM 1039 CB SER A 140 69.621 5.761 1.221 1.00 0.00 C ATOM 1040 OG SER A 140 70.539 5.266 2.165 1.00 0.00 O ATOM 0 H SER A 140 71.334 4.409 0.282 1.00 0.00 H new ATOM 0 HA SER A 140 69.597 6.447 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.092 6.620 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 140 68.871 5.001 1.000 1.00 0.00 H new ATOM 0 HG SER A 140 70.988 6.016 2.609 1.00 0.00 H new ATOM 1046 N ARG A 141 72.490 7.103 0.563 1.00 0.00 N ATOM 1047 CA ARG A 141 73.495 8.128 0.768 1.00 0.00 C ATOM 1048 C ARG A 141 74.205 8.427 -0.539 1.00 0.00 C ATOM 1049 O ARG A 141 74.628 9.556 -0.793 1.00 0.00 O ATOM 1050 CB ARG A 141 74.529 7.648 1.773 1.00 0.00 C ATOM 1051 CG ARG A 141 73.979 7.307 3.141 1.00 0.00 C ATOM 1052 CD ARG A 141 75.072 6.767 4.032 1.00 0.00 C ATOM 1053 NE ARG A 141 76.121 7.756 4.297 1.00 0.00 N ATOM 1054 CZ ARG A 141 77.376 7.468 4.665 1.00 0.00 C ATOM 1055 NH1 ARG A 141 77.773 6.208 4.762 1.00 0.00 N ATOM 1056 NH2 ARG A 141 78.233 8.455 4.911 1.00 0.00 N ATOM 0 H ARG A 141 72.812 6.159 0.777 1.00 0.00 H new ATOM 0 HA ARG A 141 73.000 9.025 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 141 75.026 6.767 1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 141 75.290 8.420 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 141 73.538 8.195 3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 141 73.182 6.569 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 141 74.638 6.441 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 141 75.516 5.888 3.565 1.00 0.00 H new ATOM 0 HE ARG A 141 75.876 8.741 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 141 77.122 5.451 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 141 78.730 5.995 5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 141 77.933 9.426 4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 141 79.190 8.241 5.192 1.00 0.00 H new ATOM 1070 N SER A 142 74.355 7.414 -1.346 1.00 0.00 N ATOM 1071 CA SER A 142 75.035 7.533 -2.586 1.00 0.00 C ATOM 1072 C SER A 142 74.161 8.187 -3.629 1.00 0.00 C ATOM 1073 O SER A 142 73.007 7.802 -3.848 1.00 0.00 O ATOM 1074 CB SER A 142 75.486 6.175 -3.062 1.00 0.00 C ATOM 1075 OG SER A 142 76.251 6.247 -4.249 1.00 0.00 O ATOM 0 H SER A 142 74.002 6.477 -1.151 1.00 0.00 H new ATOM 0 HA SER A 142 75.908 8.167 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 142 76.077 5.697 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 142 74.613 5.545 -3.233 1.00 0.00 H new ATOM 0 HG SER A 142 76.229 5.380 -4.705 1.00 0.00 H new ATOM 1081 N SER A 143 74.695 9.188 -4.239 1.00 0.00 N ATOM 1082 CA SER A 143 74.050 9.854 -5.310 1.00 0.00 C ATOM 1083 C SER A 143 74.653 9.376 -6.635 1.00 0.00 C ATOM 1084 O SER A 143 74.172 9.719 -7.711 1.00 0.00 O ATOM 1085 CB SER A 143 74.224 11.349 -5.132 1.00 0.00 C ATOM 1086 OG SER A 143 73.732 11.746 -3.847 1.00 0.00 O ATOM 0 H SER A 143 75.610 9.572 -4.001 1.00 0.00 H new ATOM 0 HA SER A 143 72.984 9.628 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 143 75.277 11.615 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 143 73.688 11.883 -5.917 1.00 0.00 H new ATOM 0 HG SER A 143 73.848 12.713 -3.737 1.00 0.00 H new ATOM 1092 N ARG A 144 75.712 8.569 -6.540 1.00 0.00 N ATOM 1093 CA ARG A 144 76.383 8.060 -7.729 1.00 0.00 C ATOM 1094 C ARG A 144 75.754 6.742 -8.154 1.00 0.00 C ATOM 1095 O ARG A 144 75.869 6.332 -9.300 1.00 0.00 O ATOM 1096 CB ARG A 144 77.893 7.862 -7.474 1.00 0.00 C ATOM 1097 CG ARG A 144 78.233 6.699 -6.546 1.00 0.00 C ATOM 1098 CD ARG A 144 79.708 6.635 -6.220 1.00 0.00 C ATOM 1099 NE ARG A 144 80.560 6.475 -7.402 1.00 0.00 N ATOM 1100 CZ ARG A 144 81.873 6.775 -7.428 1.00 0.00 C ATOM 1101 NH1 ARG A 144 82.477 7.254 -6.332 1.00 0.00 N ATOM 1102 NH2 ARG A 144 82.572 6.603 -8.537 1.00 0.00 N ATOM 0 H ARG A 144 76.118 8.258 -5.657 1.00 0.00 H new ATOM 0 HA ARG A 144 76.265 8.794 -8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 144 78.392 7.705 -8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 144 78.300 8.780 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 144 77.663 6.796 -5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 144 77.926 5.763 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 144 79.996 7.545 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 144 79.886 5.804 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 144 80.133 6.115 -8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 144 81.942 7.393 -5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 144 83.471 7.480 -6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 144 82.117 6.242 -9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 144 83.566 6.831 -8.554 1.00 0.00 H new ATOM 1116 N THR A 145 75.097 6.085 -7.224 1.00 0.00 N ATOM 1117 CA THR A 145 74.481 4.826 -7.501 1.00 0.00 C ATOM 1118 C THR A 145 73.192 5.058 -8.276 1.00 0.00 C ATOM 1119 O THR A 145 72.189 5.545 -7.727 1.00 0.00 O ATOM 1120 CB THR A 145 74.205 4.050 -6.207 1.00 0.00 C ATOM 1121 OG1 THR A 145 75.415 4.023 -5.423 1.00 0.00 O ATOM 1122 CG2 THR A 145 73.799 2.622 -6.525 1.00 0.00 C ATOM 0 H THR A 145 74.981 6.413 -6.265 1.00 0.00 H new ATOM 0 HA THR A 145 75.161 4.224 -8.104 1.00 0.00 H new ATOM 0 HB THR A 145 73.398 4.537 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 145 75.255 3.531 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 145 73.606 2.083 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 145 72.896 2.628 -7.135 1.00 0.00 H new ATOM 0 HG23 THR A 145 74.603 2.128 -7.071 1.00 0.00 H new ATOM 1130 N ARG A 146 73.237 4.770 -9.546 1.00 0.00 N ATOM 1131 CA ARG A 146 72.122 5.016 -10.406 1.00 0.00 C ATOM 1132 C ARG A 146 71.937 3.841 -11.375 1.00 0.00 C ATOM 1133 O ARG A 146 71.346 3.972 -12.447 1.00 0.00 O ATOM 1134 CB ARG A 146 72.344 6.376 -11.119 1.00 0.00 C ATOM 1135 CG ARG A 146 71.183 6.922 -11.972 1.00 0.00 C ATOM 1136 CD ARG A 146 69.841 6.908 -11.236 1.00 0.00 C ATOM 1137 NE ARG A 146 69.205 5.571 -11.269 1.00 0.00 N ATOM 1138 CZ ARG A 146 68.252 5.136 -10.441 1.00 0.00 C ATOM 1139 NH1 ARG A 146 67.941 5.839 -9.356 1.00 0.00 N ATOM 1140 NH2 ARG A 146 67.653 3.968 -10.679 1.00 0.00 N ATOM 0 H ARG A 146 74.047 4.359 -10.010 1.00 0.00 H new ATOM 0 HA ARG A 146 71.193 5.087 -9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 146 72.584 7.120 -10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 146 73.220 6.282 -11.761 1.00 0.00 H new ATOM 0 HG2 ARG A 146 71.413 7.943 -12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 146 71.098 6.328 -12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 146 69.992 7.212 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 146 69.171 7.639 -11.689 1.00 0.00 H new ATOM 0 HE ARG A 146 69.524 4.924 -11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 146 68.431 6.711 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 146 67.213 5.506 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 146 67.924 3.412 -11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 146 66.924 3.631 -10.050 1.00 0.00 H new ATOM 1154 N ARG A 147 72.422 2.688 -10.983 1.00 0.00 N ATOM 1155 CA ARG A 147 72.209 1.502 -11.746 1.00 0.00 C ATOM 1156 C ARG A 147 70.875 0.882 -11.437 1.00 0.00 C ATOM 1157 O ARG A 147 70.254 1.197 -10.425 1.00 0.00 O ATOM 1158 CB ARG A 147 73.312 0.499 -11.529 1.00 0.00 C ATOM 1159 CG ARG A 147 74.518 0.664 -12.436 1.00 0.00 C ATOM 1160 CD ARG A 147 74.139 0.506 -13.903 1.00 0.00 C ATOM 1161 NE ARG A 147 73.535 1.718 -14.495 1.00 0.00 N ATOM 1162 CZ ARG A 147 72.378 1.777 -15.183 1.00 0.00 C ATOM 1163 NH1 ARG A 147 71.611 0.700 -15.318 1.00 0.00 N ATOM 1164 NH2 ARG A 147 72.012 2.920 -15.744 1.00 0.00 N ATOM 0 H ARG A 147 72.969 2.555 -10.133 1.00 0.00 H new ATOM 0 HA ARG A 147 72.216 1.795 -12.796 1.00 0.00 H new ATOM 0 HB2 ARG A 147 73.644 0.565 -10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 147 72.905 -0.502 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 147 74.962 1.647 -12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 147 75.276 -0.074 -12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 147 75.029 0.240 -14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 147 73.438 -0.323 -14.001 1.00 0.00 H new ATOM 0 HE ARG A 147 74.043 2.594 -14.371 1.00 0.00 H new ATOM 0 HH11 ARG A 147 71.896 -0.185 -14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 147 70.737 0.758 -15.841 1.00 0.00 H new ATOM 0 HH21 ARG A 147 72.604 3.745 -15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 147 71.138 2.975 -16.267 1.00 0.00 H new ATOM 1178 N GLU A 148 70.451 -0.017 -12.290 1.00 0.00 N ATOM 1179 CA GLU A 148 69.195 -0.654 -12.140 1.00 0.00 C ATOM 1180 C GLU A 148 69.353 -1.978 -11.459 1.00 0.00 C ATOM 1181 O GLU A 148 68.521 -2.369 -10.674 1.00 0.00 O ATOM 1182 CB GLU A 148 68.557 -0.839 -13.504 1.00 0.00 C ATOM 1183 CG GLU A 148 67.548 0.234 -13.885 1.00 0.00 C ATOM 1184 CD GLU A 148 68.100 1.635 -13.832 1.00 0.00 C ATOM 1185 OE1 GLU A 148 68.735 2.069 -14.817 1.00 0.00 O ATOM 1186 OE2 GLU A 148 67.896 2.333 -12.805 1.00 0.00 O ATOM 0 H GLU A 148 70.981 -0.319 -13.108 1.00 0.00 H new ATOM 0 HA GLU A 148 68.552 -0.028 -11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 148 69.344 -0.863 -14.258 1.00 0.00 H new ATOM 0 HB3 GLU A 148 68.062 -1.810 -13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 148 67.183 0.035 -14.893 1.00 0.00 H new ATOM 0 HG3 GLU A 148 66.690 0.166 -13.216 1.00 0.00 H new ATOM 1193 N THR A 149 70.429 -2.653 -11.765 1.00 0.00 N ATOM 1194 CA THR A 149 70.678 -3.985 -11.237 1.00 0.00 C ATOM 1195 C THR A 149 72.170 -4.266 -11.330 1.00 0.00 C ATOM 1196 O THR A 149 72.623 -5.380 -11.592 1.00 0.00 O ATOM 1197 CB THR A 149 69.839 -4.988 -12.068 1.00 0.00 C ATOM 1198 OG1 THR A 149 69.972 -6.337 -11.593 1.00 0.00 O ATOM 1199 CG2 THR A 149 70.203 -4.901 -13.544 1.00 0.00 C ATOM 0 H THR A 149 71.160 -2.304 -12.384 1.00 0.00 H new ATOM 0 HA THR A 149 70.386 -4.076 -10.191 1.00 0.00 H new ATOM 0 HB THR A 149 68.793 -4.707 -11.945 1.00 0.00 H new ATOM 0 HG1 THR A 149 70.918 -6.534 -11.428 1.00 0.00 H new ATOM 0 HG21 THR A 149 69.602 -5.613 -14.109 1.00 0.00 H new ATOM 0 HG22 THR A 149 70.008 -3.892 -13.908 1.00 0.00 H new ATOM 0 HG23 THR A 149 71.260 -5.135 -13.673 1.00 0.00 H new ATOM 1207 N GLN A 150 72.923 -3.210 -11.064 1.00 0.00 N ATOM 1208 CA GLN A 150 74.408 -3.207 -11.106 1.00 0.00 C ATOM 1209 C GLN A 150 74.881 -3.279 -12.534 1.00 0.00 C ATOM 1210 O GLN A 150 76.051 -3.517 -12.838 1.00 0.00 O ATOM 1211 CB GLN A 150 75.029 -4.307 -10.228 1.00 0.00 C ATOM 1212 CG GLN A 150 74.907 -4.083 -8.721 1.00 0.00 C ATOM 1213 CD GLN A 150 73.493 -4.019 -8.205 1.00 0.00 C ATOM 1214 OE1 GLN A 150 72.905 -5.027 -7.830 1.00 0.00 O ATOM 1215 NE2 GLN A 150 72.944 -2.842 -8.172 1.00 0.00 N ATOM 0 H GLN A 150 72.528 -2.306 -10.806 1.00 0.00 H new ATOM 0 HA GLN A 150 74.754 -2.267 -10.677 1.00 0.00 H new ATOM 0 HB2 GLN A 150 74.558 -5.258 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 150 76.085 -4.399 -10.481 1.00 0.00 H new ATOM 0 HG2 GLN A 150 75.431 -4.887 -8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 150 75.415 -3.154 -8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 150 73.466 -2.027 -8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 150 71.991 -2.733 -7.825 1.00 0.00 H new ATOM 1224 N LEU A 151 73.954 -2.982 -13.366 1.00 0.00 N ATOM 1225 CA LEU A 151 74.032 -2.937 -14.759 1.00 0.00 C ATOM 1226 C LEU A 151 72.602 -2.553 -15.067 1.00 0.00 C ATOM 1227 O LEU A 151 72.039 -1.750 -14.247 1.00 0.00 O ATOM 1228 CB LEU A 151 74.378 -4.342 -15.330 1.00 0.00 C ATOM 1229 CG LEU A 151 75.174 -4.408 -16.654 1.00 0.00 C ATOM 1230 CD1 LEU A 151 75.402 -5.847 -17.059 1.00 0.00 C ATOM 1231 CD2 LEU A 151 74.504 -3.641 -17.782 1.00 0.00 C ATOM 1232 OXT LEU A 151 72.008 -3.040 -16.024 1.00 0.00 O ATOM 0 H LEU A 151 73.019 -2.738 -13.038 1.00 0.00 H new ATOM 0 HA LEU A 151 74.790 -2.274 -15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 151 74.945 -4.881 -14.571 1.00 0.00 H new ATOM 0 HB3 LEU A 151 73.443 -4.884 -15.474 1.00 0.00 H new ATOM 0 HG LEU A 151 76.134 -3.926 -16.471 1.00 0.00 H new ATOM 0 HD11 LEU A 151 75.964 -5.878 -17.993 1.00 0.00 H new ATOM 0 HD12 LEU A 151 75.966 -6.359 -16.280 1.00 0.00 H new ATOM 0 HD13 LEU A 151 74.441 -6.343 -17.197 1.00 0.00 H new ATOM 0 HD21 LEU A 151 75.107 -3.723 -18.686 1.00 0.00 H new ATOM 0 HD22 LEU A 151 73.514 -4.058 -17.968 1.00 0.00 H new ATOM 0 HD23 LEU A 151 74.409 -2.592 -17.502 1.00 0.00 H new TER 1244 LEU A 151 HETATM 1245 ZN ZN A 201 71.591 -0.643 -2.267 1.00 0.00 ZN