USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 127 TYR OH : rot -161:sc= 0.655 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.422 K(o=0.23,f=-3.5!) USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 90 GLN : amide:sc= 0 X(o=0.017,f=0.015) USER MOD Set 3.2: A 139 SER OG : rot -31:sc= 0.0167 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.909 USER MOD Single : A 99 SER OG : rot 87:sc= 1.08 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 55:sc= 0.124 USER MOD Single : A 109 TYR OH : rot 48:sc= 1.09 USER MOD Single : A 115 SER OG : rot -15:sc= 0.82 USER MOD Single : A 119 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0774) USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00062 USER MOD Single : A 123 CYS SG : rot 118:sc= -4.92! USER MOD Single : A 130 TYR OH : rot -121:sc= 0.0395 USER MOD Single : A 132 ASN : amide:sc= -3.01! X(o=-3!,f=-2.6) USER MOD Single : A 137 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.15) USER MOD Single : A 143 SER OG : rot -60:sc= 0.382 USER MOD Single : A 146 CYS SG : rot -35:sc= -0.0596 USER MOD Single : A1148 2MR OXT : rot 175:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -1.294 -13.563 -3.165 1.00 0.00 N ATOM 2 CA ASN A 84 -2.116 -12.358 -3.145 1.00 0.00 C ATOM 3 C ASN A 84 -3.570 -12.728 -2.943 1.00 0.00 C ATOM 4 O ASN A 84 -3.973 -13.853 -3.253 1.00 0.00 O ATOM 5 CB ASN A 84 -1.957 -11.542 -4.450 1.00 0.00 C ATOM 6 CG ASN A 84 -2.453 -12.268 -5.697 1.00 0.00 C ATOM 7 OD1 ASN A 84 -3.629 -12.185 -6.048 1.00 0.00 O ATOM 8 ND2 ASN A 84 -1.565 -12.936 -6.394 1.00 0.00 N ATOM 0 HA ASN A 84 -1.779 -11.736 -2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -2.500 -10.603 -4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.905 -11.289 -4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.842 -13.407 -7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.598 -12.985 -6.074 1.00 0.00 H new ATOM 17 N THR A 85 -4.343 -11.813 -2.395 1.00 0.00 N ATOM 18 CA THR A 85 -5.762 -11.999 -2.222 1.00 0.00 C ATOM 19 C THR A 85 -6.477 -11.151 -3.283 1.00 0.00 C ATOM 20 O THR A 85 -6.722 -9.972 -3.075 1.00 0.00 O ATOM 21 CB THR A 85 -6.204 -11.545 -0.813 1.00 0.00 C ATOM 22 OG1 THR A 85 -5.306 -12.102 0.176 1.00 0.00 O ATOM 23 CG2 THR A 85 -7.620 -12.021 -0.516 1.00 0.00 C ATOM 0 H THR A 85 -3.998 -10.915 -2.056 1.00 0.00 H new ATOM 0 HA THR A 85 -6.013 -13.054 -2.331 1.00 0.00 H new ATOM 0 HB THR A 85 -6.179 -10.456 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.584 -11.813 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.913 -11.691 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.306 -11.603 -1.253 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.655 -13.109 -0.563 1.00 0.00 H new ATOM 31 N ALA A 86 -6.761 -11.754 -4.418 1.00 0.00 N ATOM 32 CA ALA A 86 -7.301 -11.041 -5.582 1.00 0.00 C ATOM 33 C ALA A 86 -8.714 -10.494 -5.369 1.00 0.00 C ATOM 34 O ALA A 86 -9.037 -9.382 -5.802 1.00 0.00 O ATOM 35 CB ALA A 86 -7.261 -11.938 -6.807 1.00 0.00 C ATOM 0 H ALA A 86 -6.628 -12.754 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.661 -10.172 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.664 -11.400 -7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.231 -12.229 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.860 -12.830 -6.624 1.00 0.00 H new ATOM 41 N ALA A 87 -9.533 -11.252 -4.684 1.00 0.00 N ATOM 42 CA ALA A 87 -10.942 -10.911 -4.489 1.00 0.00 C ATOM 43 C ALA A 87 -11.131 -9.716 -3.578 1.00 0.00 C ATOM 44 O ALA A 87 -12.088 -8.959 -3.717 1.00 0.00 O ATOM 45 CB ALA A 87 -11.679 -12.087 -3.914 1.00 0.00 C ATOM 0 H ALA A 87 -9.253 -12.127 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.342 -10.650 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.727 -11.825 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.606 -12.932 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.239 -12.358 -2.954 1.00 0.00 H new ATOM 51 N SER A 88 -10.225 -9.537 -2.673 1.00 0.00 N ATOM 52 CA SER A 88 -10.339 -8.485 -1.701 1.00 0.00 C ATOM 53 C SER A 88 -9.302 -7.413 -1.961 1.00 0.00 C ATOM 54 O SER A 88 -9.008 -6.585 -1.101 1.00 0.00 O ATOM 55 CB SER A 88 -10.179 -9.087 -0.316 1.00 0.00 C ATOM 56 OG SER A 88 -11.124 -10.137 -0.137 1.00 0.00 O ATOM 0 H SER A 88 -9.386 -10.110 -2.582 1.00 0.00 H new ATOM 0 HA SER A 88 -11.318 -8.012 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.167 -9.471 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.326 -8.319 0.444 1.00 0.00 H new ATOM 0 HG SER A 88 -11.017 -10.524 0.757 1.00 0.00 H new ATOM 62 N LEU A 89 -8.820 -7.374 -3.186 1.00 0.00 N ATOM 63 CA LEU A 89 -7.756 -6.474 -3.553 1.00 0.00 C ATOM 64 C LEU A 89 -8.222 -5.055 -3.874 1.00 0.00 C ATOM 65 O LEU A 89 -7.487 -4.273 -4.492 1.00 0.00 O ATOM 66 CB LEU A 89 -6.937 -7.046 -4.690 1.00 0.00 C ATOM 67 CG LEU A 89 -5.486 -7.376 -4.342 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.746 -7.864 -5.558 1.00 0.00 C ATOM 69 CD2 LEU A 89 -4.792 -6.170 -3.743 1.00 0.00 C ATOM 0 H LEU A 89 -9.155 -7.963 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.127 -6.382 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.424 -7.953 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.943 -6.334 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.486 -8.174 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.715 -8.093 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.229 -8.762 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.757 -7.090 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.760 -6.426 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.804 -5.350 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.311 -5.865 -2.834 1.00 0.00 H new ATOM 81 N GLN A 90 -9.415 -4.716 -3.479 1.00 0.00 N ATOM 82 CA GLN A 90 -9.863 -3.353 -3.632 1.00 0.00 C ATOM 83 C GLN A 90 -10.249 -2.761 -2.285 1.00 0.00 C ATOM 84 O GLN A 90 -10.366 -1.546 -2.145 1.00 0.00 O ATOM 85 CB GLN A 90 -11.032 -3.216 -4.603 1.00 0.00 C ATOM 86 CG GLN A 90 -10.786 -3.747 -5.998 1.00 0.00 C ATOM 87 CD GLN A 90 -11.948 -3.456 -6.918 1.00 0.00 C ATOM 88 OE1 GLN A 90 -12.899 -4.243 -7.014 1.00 0.00 O ATOM 89 NE2 GLN A 90 -11.892 -2.337 -7.594 1.00 0.00 N ATOM 0 H GLN A 90 -10.091 -5.351 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.022 -2.801 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.894 -3.735 -4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.299 -2.162 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.879 -3.299 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.617 -4.823 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.090 -1.716 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.650 -2.086 -8.229 1.00 0.00 H new ATOM 98 N GLN A 91 -10.443 -3.605 -1.293 1.00 0.00 N ATOM 99 CA GLN A 91 -10.861 -3.127 0.004 1.00 0.00 C ATOM 100 C GLN A 91 -9.814 -3.414 1.051 1.00 0.00 C ATOM 101 O GLN A 91 -9.302 -4.535 1.152 1.00 0.00 O ATOM 102 CB GLN A 91 -12.217 -3.696 0.423 1.00 0.00 C ATOM 103 CG GLN A 91 -12.262 -5.199 0.563 1.00 0.00 C ATOM 104 CD GLN A 91 -13.585 -5.670 1.094 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.507 -5.968 0.337 1.00 0.00 O ATOM 106 NE2 GLN A 91 -13.698 -5.735 2.390 1.00 0.00 N ATOM 0 H GLN A 91 -10.319 -4.615 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.978 -2.047 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.504 -3.249 1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.964 -3.392 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.075 -5.660 -0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.465 -5.526 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.909 -5.479 2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -14.575 -6.042 2.811 1.00 0.00 H new ATOM 115 N TRP A 92 -9.481 -2.401 1.794 1.00 0.00 N ATOM 116 CA TRP A 92 -8.491 -2.475 2.833 1.00 0.00 C ATOM 117 C TRP A 92 -8.989 -1.690 4.015 1.00 0.00 C ATOM 118 O TRP A 92 -9.948 -0.917 3.879 1.00 0.00 O ATOM 119 CB TRP A 92 -7.166 -1.890 2.357 1.00 0.00 C ATOM 120 CG TRP A 92 -6.553 -2.604 1.195 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.823 -2.403 -0.123 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.557 -3.620 1.251 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.064 -3.237 -0.890 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.271 -3.992 -0.072 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.875 -4.251 2.288 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.334 -4.965 -0.380 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.948 -5.214 1.972 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.686 -5.558 0.652 1.00 0.00 C ATOM 0 H TRP A 92 -9.899 -1.476 1.694 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.327 -3.518 3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.322 -0.846 2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.460 -1.901 3.187 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.535 -1.687 -0.506 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.085 -3.289 -1.908 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.070 -3.989 3.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.128 -5.240 -1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.412 -5.714 2.766 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.947 -6.317 0.443 1.00 0.00 H new ATOM 139 N LYS A 93 -8.396 -1.896 5.163 1.00 0.00 N ATOM 140 CA LYS A 93 -8.773 -1.154 6.344 1.00 0.00 C ATOM 141 C LYS A 93 -7.524 -0.559 6.965 1.00 0.00 C ATOM 142 O LYS A 93 -6.417 -1.060 6.742 1.00 0.00 O ATOM 143 CB LYS A 93 -9.502 -2.050 7.353 1.00 0.00 C ATOM 144 CG LYS A 93 -8.629 -3.109 7.991 1.00 0.00 C ATOM 145 CD LYS A 93 -9.476 -4.072 8.833 1.00 0.00 C ATOM 146 CE LYS A 93 -8.656 -5.210 9.444 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.227 -6.213 8.442 1.00 0.00 N ATOM 0 H LYS A 93 -7.647 -2.573 5.308 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.461 -0.357 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.925 -1.423 8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.337 -2.538 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.098 -3.664 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.874 -2.636 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.965 -3.514 9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.265 -4.494 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.776 -4.794 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.247 -5.704 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.889 -7.067 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.031 -6.459 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.459 -5.818 7.862 1.00 0.00 H new ATOM 161 N VAL A 94 -7.686 0.511 7.692 1.00 0.00 N ATOM 162 CA VAL A 94 -6.574 1.165 8.349 1.00 0.00 C ATOM 163 C VAL A 94 -5.975 0.231 9.391 1.00 0.00 C ATOM 164 O VAL A 94 -6.689 -0.283 10.255 1.00 0.00 O ATOM 165 CB VAL A 94 -7.011 2.493 9.025 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.853 3.135 9.763 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.574 3.459 8.000 1.00 0.00 C ATOM 0 H VAL A 94 -8.589 0.959 7.850 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.828 1.404 7.591 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.792 2.255 9.748 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.187 4.063 10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.490 2.454 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.048 3.350 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.874 4.382 8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.813 3.680 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.441 3.010 7.515 1.00 0.00 H new ATOM 177 N GLY A 95 -4.686 0.021 9.315 1.00 0.00 N ATOM 178 CA GLY A 95 -4.033 -0.841 10.253 1.00 0.00 C ATOM 179 C GLY A 95 -3.775 -2.200 9.666 1.00 0.00 C ATOM 180 O GLY A 95 -3.387 -3.123 10.372 1.00 0.00 O ATOM 0 H GLY A 95 -4.073 0.436 8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.089 -0.393 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.649 -0.941 11.147 1.00 0.00 H new ATOM 184 N ASP A 96 -4.001 -2.335 8.383 1.00 0.00 N ATOM 185 CA ASP A 96 -3.757 -3.589 7.704 1.00 0.00 C ATOM 186 C ASP A 96 -2.413 -3.506 7.052 1.00 0.00 C ATOM 187 O ASP A 96 -1.966 -2.411 6.677 1.00 0.00 O ATOM 188 CB ASP A 96 -4.780 -3.831 6.613 1.00 0.00 C ATOM 189 CG ASP A 96 -5.382 -5.206 6.648 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.643 -6.205 6.703 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.619 -5.317 6.593 1.00 0.00 O ATOM 0 H ASP A 96 -4.355 -1.590 7.783 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.815 -4.398 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.576 -3.092 6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.308 -3.675 5.643 1.00 0.00 H new ATOM 196 N LYS A 97 -1.749 -4.606 6.944 1.00 0.00 N ATOM 197 CA LYS A 97 -0.486 -4.643 6.284 1.00 0.00 C ATOM 198 C LYS A 97 -0.690 -4.965 4.829 1.00 0.00 C ATOM 199 O LYS A 97 -1.646 -5.662 4.467 1.00 0.00 O ATOM 200 CB LYS A 97 0.338 -5.697 6.913 1.00 0.00 C ATOM 201 CG LYS A 97 0.453 -5.525 8.409 1.00 0.00 C ATOM 202 CD LYS A 97 1.072 -6.725 9.018 1.00 0.00 C ATOM 203 CE LYS A 97 2.535 -6.826 8.631 1.00 0.00 C ATOM 204 NZ LYS A 97 3.199 -8.030 9.165 1.00 0.00 N ATOM 0 H LYS A 97 -2.064 -5.504 7.310 1.00 0.00 H new ATOM 0 HA LYS A 97 0.012 -3.677 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.097 -6.672 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.335 -5.687 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.053 -4.643 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.534 -5.358 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.980 -6.677 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.541 -7.620 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.617 -6.827 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.060 -5.941 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.195 -8.039 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.150 -8.021 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.721 -8.880 8.803 1.00 0.00 H new ATOM 218 N CYS A 98 0.194 -4.494 4.008 1.00 0.00 N ATOM 219 CA CYS A 98 0.087 -4.696 2.607 1.00 0.00 C ATOM 220 C CYS A 98 1.455 -4.538 1.951 1.00 0.00 C ATOM 221 O CYS A 98 2.493 -4.481 2.625 1.00 0.00 O ATOM 222 CB CYS A 98 -0.898 -3.664 2.033 1.00 0.00 C ATOM 223 SG CYS A 98 -0.420 -1.954 2.345 1.00 0.00 S ATOM 0 H CYS A 98 1.012 -3.957 4.296 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.277 -5.703 2.405 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.985 -3.817 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.885 -3.840 2.461 1.00 0.00 H new ATOM 0 HG CYS A 98 0.559 -1.926 3.199 1.00 0.00 H new ATOM 229 N SER A 99 1.440 -4.493 0.675 1.00 0.00 N ATOM 230 CA SER A 99 2.589 -4.221 -0.124 1.00 0.00 C ATOM 231 C SER A 99 2.228 -3.079 -1.056 1.00 0.00 C ATOM 232 O SER A 99 1.071 -2.970 -1.480 1.00 0.00 O ATOM 233 CB SER A 99 2.988 -5.466 -0.910 1.00 0.00 C ATOM 234 OG SER A 99 3.375 -6.523 -0.054 1.00 0.00 O ATOM 0 H SER A 99 0.594 -4.650 0.127 1.00 0.00 H new ATOM 0 HA SER A 99 3.441 -3.944 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.152 -5.788 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.810 -5.223 -1.583 1.00 0.00 H new ATOM 0 HG SER A 99 2.584 -7.038 0.208 1.00 0.00 H new ATOM 240 N ALA A 100 3.161 -2.219 -1.328 1.00 0.00 N ATOM 241 CA ALA A 100 2.914 -1.089 -2.179 1.00 0.00 C ATOM 242 C ALA A 100 4.041 -0.922 -3.165 1.00 0.00 C ATOM 243 O ALA A 100 5.141 -1.470 -2.970 1.00 0.00 O ATOM 244 CB ALA A 100 2.740 0.166 -1.347 1.00 0.00 C ATOM 0 H ALA A 100 4.114 -2.278 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 100 1.993 -1.263 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.553 1.015 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.896 0.039 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.646 0.347 -0.768 1.00 0.00 H new ATOM 250 N ILE A 101 3.763 -0.213 -4.226 1.00 0.00 N ATOM 251 CA ILE A 101 4.732 0.079 -5.242 1.00 0.00 C ATOM 252 C ILE A 101 5.368 1.408 -4.946 1.00 0.00 C ATOM 253 O ILE A 101 4.719 2.465 -5.054 1.00 0.00 O ATOM 254 CB ILE A 101 4.082 0.094 -6.653 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.694 -1.322 -7.074 1.00 0.00 C ATOM 256 CG2 ILE A 101 4.994 0.746 -7.705 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.848 -2.188 -7.526 1.00 0.00 C ATOM 0 H ILE A 101 2.841 0.183 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 101 5.492 -0.703 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 101 3.181 0.704 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.197 -1.812 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.967 -1.259 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.497 0.733 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.202 1.776 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.930 0.191 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.476 -3.174 -7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.334 -1.727 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.568 -2.288 -6.713 1.00 0.00 H new ATOM 269 N TRP A 102 6.613 1.359 -4.558 1.00 0.00 N ATOM 270 CA TRP A 102 7.342 2.548 -4.231 1.00 0.00 C ATOM 271 C TRP A 102 7.555 3.314 -5.472 1.00 0.00 C ATOM 272 O TRP A 102 8.142 2.811 -6.405 1.00 0.00 O ATOM 273 CB TRP A 102 8.677 2.213 -3.616 1.00 0.00 C ATOM 274 CG TRP A 102 9.294 3.352 -2.882 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.646 4.351 -2.224 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.675 3.598 -2.709 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.550 5.186 -1.642 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.805 4.748 -1.924 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.808 2.960 -3.135 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.043 5.262 -1.566 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.025 3.472 -2.786 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.132 4.611 -2.009 1.00 0.00 C ATOM 0 H TRP A 102 7.147 0.495 -4.461 1.00 0.00 H new ATOM 0 HA TRP A 102 6.772 3.130 -3.507 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.553 1.374 -2.931 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.358 1.885 -4.401 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.573 4.465 -2.171 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.322 6.009 -1.084 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.741 2.066 -3.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.128 6.149 -0.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.923 2.977 -3.124 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.112 4.985 -1.753 1.00 0.00 H new ATOM 293 N SER A 103 7.123 4.522 -5.468 1.00 0.00 N ATOM 294 CA SER A 103 7.183 5.376 -6.609 1.00 0.00 C ATOM 295 C SER A 103 8.607 5.669 -7.055 1.00 0.00 C ATOM 296 O SER A 103 8.856 6.038 -8.194 1.00 0.00 O ATOM 297 CB SER A 103 6.493 6.634 -6.241 1.00 0.00 C ATOM 298 OG SER A 103 5.120 6.392 -6.007 1.00 0.00 O ATOM 0 H SER A 103 6.704 4.962 -4.649 1.00 0.00 H new ATOM 0 HA SER A 103 6.704 4.880 -7.453 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.951 7.060 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.609 7.367 -7.039 1.00 0.00 H new ATOM 0 HG SER A 103 4.677 7.231 -5.763 1.00 0.00 H new ATOM 304 N GLU A 104 9.521 5.473 -6.164 1.00 0.00 N ATOM 305 CA GLU A 104 10.897 5.789 -6.406 1.00 0.00 C ATOM 306 C GLU A 104 11.636 4.667 -7.146 1.00 0.00 C ATOM 307 O GLU A 104 12.463 4.940 -8.013 1.00 0.00 O ATOM 308 CB GLU A 104 11.517 6.077 -5.093 1.00 0.00 C ATOM 309 CG GLU A 104 10.748 7.146 -4.338 1.00 0.00 C ATOM 310 CD GLU A 104 11.151 8.553 -4.672 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.732 9.075 -5.729 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.871 9.183 -3.874 1.00 0.00 O ATOM 0 H GLU A 104 9.337 5.086 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 104 10.966 6.656 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.553 5.164 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.547 6.403 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.685 7.027 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.883 6.987 -3.268 1.00 0.00 H new ATOM 319 N ASP A 105 11.354 3.405 -6.801 1.00 0.00 N ATOM 320 CA ASP A 105 12.007 2.273 -7.515 1.00 0.00 C ATOM 321 C ASP A 105 11.040 1.552 -8.413 1.00 0.00 C ATOM 322 O ASP A 105 11.435 0.743 -9.246 1.00 0.00 O ATOM 323 CB ASP A 105 12.614 1.224 -6.561 1.00 0.00 C ATOM 324 CG ASP A 105 13.909 1.629 -5.913 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.806 2.159 -6.609 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.069 1.412 -4.702 1.00 0.00 O ATOM 0 H ASP A 105 10.705 3.135 -6.062 1.00 0.00 H new ATOM 0 HA ASP A 105 12.805 2.736 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.888 1.002 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.776 0.300 -7.117 1.00 0.00 H new ATOM 331 N GLY A 106 9.767 1.797 -8.204 1.00 0.00 N ATOM 332 CA GLY A 106 8.715 1.143 -8.985 1.00 0.00 C ATOM 333 C GLY A 106 8.507 -0.294 -8.532 1.00 0.00 C ATOM 334 O GLY A 106 7.714 -1.037 -9.097 1.00 0.00 O ATOM 0 H GLY A 106 9.422 2.447 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.783 1.698 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.980 1.159 -10.042 1.00 0.00 H new ATOM 338 N CYS A 107 9.261 -0.674 -7.536 1.00 0.00 N ATOM 339 CA CYS A 107 9.281 -1.977 -7.010 1.00 0.00 C ATOM 340 C CYS A 107 8.276 -2.160 -5.876 1.00 0.00 C ATOM 341 O CYS A 107 7.782 -1.177 -5.301 1.00 0.00 O ATOM 342 CB CYS A 107 10.682 -2.249 -6.557 1.00 0.00 C ATOM 343 SG CYS A 107 11.909 -2.253 -7.880 1.00 0.00 S ATOM 0 H CYS A 107 9.902 -0.040 -7.059 1.00 0.00 H new ATOM 0 HA CYS A 107 8.981 -2.691 -7.776 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.964 -1.498 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.706 -3.215 -6.053 1.00 0.00 H new ATOM 0 HG CYS A 107 11.852 -1.127 -8.528 1.00 0.00 H new ATOM 349 N ILE A 108 8.002 -3.412 -5.553 1.00 0.00 N ATOM 350 CA ILE A 108 7.072 -3.769 -4.502 1.00 0.00 C ATOM 351 C ILE A 108 7.794 -3.876 -3.173 1.00 0.00 C ATOM 352 O ILE A 108 8.802 -4.575 -3.057 1.00 0.00 O ATOM 353 CB ILE A 108 6.416 -5.130 -4.763 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.890 -5.203 -6.193 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.298 -5.343 -3.755 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.181 -6.502 -6.543 1.00 0.00 C ATOM 0 H ILE A 108 8.424 -4.215 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 108 6.313 -2.987 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 108 7.155 -5.923 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.201 -4.374 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.724 -5.064 -6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.826 -6.309 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.709 -5.321 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.556 -4.552 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.841 -6.464 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.870 -7.338 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.323 -6.637 -5.885 1.00 0.00 H new ATOM 368 N TYR A 109 7.273 -3.221 -2.197 1.00 0.00 N ATOM 369 CA TYR A 109 7.832 -3.219 -0.869 1.00 0.00 C ATOM 370 C TYR A 109 6.717 -3.347 0.160 1.00 0.00 C ATOM 371 O TYR A 109 5.576 -2.960 -0.124 1.00 0.00 O ATOM 372 CB TYR A 109 8.589 -1.935 -0.624 1.00 0.00 C ATOM 373 CG TYR A 109 9.840 -1.730 -1.452 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.790 -1.111 -2.693 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.077 -2.096 -0.955 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.940 -0.867 -3.414 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.234 -1.847 -1.662 1.00 0.00 C ATOM 378 CZ TYR A 109 12.165 -1.231 -2.890 1.00 0.00 C ATOM 379 OH TYR A 109 13.332 -0.976 -3.593 1.00 0.00 O ATOM 0 H TYR A 109 6.429 -2.656 -2.289 1.00 0.00 H new ATOM 0 HA TYR A 109 8.515 -4.063 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.915 -1.099 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.865 -1.895 0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.835 -0.815 -3.101 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.138 -2.586 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.883 -0.394 -4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.191 -2.135 -1.253 1.00 0.00 H new ATOM 0 HH TYR A 109 13.328 -0.048 -3.907 1.00 0.00 H new ATOM 389 N PRO A 110 7.009 -3.911 1.346 1.00 0.00 N ATOM 390 CA PRO A 110 6.019 -4.063 2.412 1.00 0.00 C ATOM 391 C PRO A 110 5.659 -2.713 3.043 1.00 0.00 C ATOM 392 O PRO A 110 6.538 -1.904 3.375 1.00 0.00 O ATOM 393 CB PRO A 110 6.720 -4.961 3.437 1.00 0.00 C ATOM 394 CG PRO A 110 8.171 -4.717 3.220 1.00 0.00 C ATOM 395 CD PRO A 110 8.334 -4.430 1.754 1.00 0.00 C ATOM 0 HA PRO A 110 5.081 -4.479 2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.423 -4.707 4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.467 -6.010 3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.519 -3.877 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.760 -5.586 3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.122 -3.699 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.600 -5.329 1.198 1.00 0.00 H new ATOM 403 N ALA A 111 4.389 -2.476 3.211 1.00 0.00 N ATOM 404 CA ALA A 111 3.917 -1.241 3.765 1.00 0.00 C ATOM 405 C ALA A 111 2.677 -1.480 4.597 1.00 0.00 C ATOM 406 O ALA A 111 1.941 -2.424 4.359 1.00 0.00 O ATOM 407 CB ALA A 111 3.630 -0.255 2.657 1.00 0.00 C ATOM 0 H ALA A 111 3.651 -3.136 2.967 1.00 0.00 H new ATOM 0 HA ALA A 111 4.689 -0.825 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.272 0.681 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.542 -0.069 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.868 -0.665 1.994 1.00 0.00 H new ATOM 413 N THR A 112 2.437 -0.640 5.543 1.00 0.00 N ATOM 414 CA THR A 112 1.290 -0.797 6.391 1.00 0.00 C ATOM 415 C THR A 112 0.381 0.409 6.231 1.00 0.00 C ATOM 416 O THR A 112 0.857 1.545 6.194 1.00 0.00 O ATOM 417 CB THR A 112 1.706 -0.937 7.867 1.00 0.00 C ATOM 418 OG1 THR A 112 2.818 -1.850 7.953 1.00 0.00 O ATOM 419 CG2 THR A 112 0.547 -1.504 8.681 1.00 0.00 C ATOM 0 H THR A 112 3.019 0.170 5.756 1.00 0.00 H new ATOM 0 HA THR A 112 0.764 -1.705 6.098 1.00 0.00 H new ATOM 0 HB THR A 112 1.983 0.042 8.258 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.092 -1.945 8.889 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.848 -1.601 9.724 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.309 -0.833 8.611 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.273 -2.484 8.290 1.00 0.00 H new ATOM 427 N ILE A 113 -0.899 0.165 6.122 1.00 0.00 N ATOM 428 CA ILE A 113 -1.879 1.213 5.931 1.00 0.00 C ATOM 429 C ILE A 113 -2.000 2.067 7.184 1.00 0.00 C ATOM 430 O ILE A 113 -2.332 1.563 8.273 1.00 0.00 O ATOM 431 CB ILE A 113 -3.242 0.609 5.606 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.109 -0.318 4.413 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.248 1.715 5.308 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.285 -1.211 4.237 1.00 0.00 C ATOM 0 H ILE A 113 -1.298 -0.773 6.163 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.548 1.837 5.101 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.600 0.040 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.974 0.278 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.212 -0.926 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.217 1.273 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.343 2.364 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.904 2.300 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.130 -1.850 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.407 -1.831 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.181 -0.608 4.089 1.00 0.00 H new ATOM 446 N ALA A 114 -1.733 3.333 7.031 1.00 0.00 N ATOM 447 CA ALA A 114 -1.796 4.259 8.126 1.00 0.00 C ATOM 448 C ALA A 114 -3.128 4.982 8.149 1.00 0.00 C ATOM 449 O ALA A 114 -3.673 5.238 9.214 1.00 0.00 O ATOM 450 CB ALA A 114 -0.655 5.255 8.054 1.00 0.00 C ATOM 0 H ALA A 114 -1.465 3.753 6.141 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.700 3.690 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.723 5.947 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.295 4.723 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.717 5.812 7.119 1.00 0.00 H new ATOM 456 N SER A 115 -3.648 5.326 6.986 1.00 0.00 N ATOM 457 CA SER A 115 -4.932 6.022 6.871 1.00 0.00 C ATOM 458 C SER A 115 -5.482 5.817 5.466 1.00 0.00 C ATOM 459 O SER A 115 -4.704 5.616 4.540 1.00 0.00 O ATOM 460 CB SER A 115 -4.758 7.525 7.156 1.00 0.00 C ATOM 461 OG SER A 115 -4.225 7.744 8.455 1.00 0.00 O ATOM 0 H SER A 115 -3.199 5.135 6.090 1.00 0.00 H new ATOM 0 HA SER A 115 -5.630 5.615 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.096 7.965 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.720 8.029 7.065 1.00 0.00 H new ATOM 0 HG SER A 115 -4.304 6.923 8.984 1.00 0.00 H new ATOM 467 N ILE A 116 -6.798 5.853 5.313 1.00 0.00 N ATOM 468 CA ILE A 116 -7.444 5.637 4.030 1.00 0.00 C ATOM 469 C ILE A 116 -8.426 6.762 3.736 1.00 0.00 C ATOM 470 O ILE A 116 -9.165 7.198 4.624 1.00 0.00 O ATOM 471 CB ILE A 116 -8.246 4.302 4.010 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.350 3.107 4.334 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.929 4.103 2.657 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.078 1.793 4.369 1.00 0.00 C ATOM 0 H ILE A 116 -7.448 6.033 6.078 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.653 5.603 3.281 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.012 4.366 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.554 3.051 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.874 3.274 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.484 3.165 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.615 4.929 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.175 4.073 1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.375 0.994 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.856 1.829 5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.531 1.602 3.396 1.00 0.00 H new ATOM 486 N ASP A 117 -8.405 7.233 2.521 1.00 0.00 N ATOM 487 CA ASP A 117 -9.374 8.180 2.025 1.00 0.00 C ATOM 488 C ASP A 117 -10.226 7.421 1.047 1.00 0.00 C ATOM 489 O ASP A 117 -9.818 7.180 -0.093 1.00 0.00 O ATOM 490 CB ASP A 117 -8.700 9.360 1.334 1.00 0.00 C ATOM 491 CG ASP A 117 -9.665 10.471 0.927 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.478 10.286 0.005 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.615 11.577 1.544 1.00 0.00 O ATOM 0 H ASP A 117 -7.702 6.967 1.831 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.962 8.597 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.944 9.775 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.180 9.000 0.446 1.00 0.00 H new ATOM 498 N PHE A 118 -11.372 7.002 1.492 1.00 0.00 N ATOM 499 CA PHE A 118 -12.250 6.158 0.710 1.00 0.00 C ATOM 500 C PHE A 118 -12.887 6.909 -0.437 1.00 0.00 C ATOM 501 O PHE A 118 -13.359 6.300 -1.396 1.00 0.00 O ATOM 502 CB PHE A 118 -13.319 5.515 1.589 1.00 0.00 C ATOM 503 CG PHE A 118 -12.782 4.529 2.595 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.612 3.196 2.252 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.459 4.929 3.884 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.129 2.283 3.172 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.976 4.019 4.808 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.813 2.695 4.451 1.00 0.00 C ATOM 0 H PHE A 118 -11.735 7.234 2.416 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.632 5.369 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.858 6.300 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.042 5.008 0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.860 2.867 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.586 5.963 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.999 1.249 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.727 4.344 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.439 1.983 5.172 1.00 0.00 H new ATOM 518 N LYS A 119 -12.883 8.221 -0.357 1.00 0.00 N ATOM 519 CA LYS A 119 -13.464 9.029 -1.407 1.00 0.00 C ATOM 520 C LYS A 119 -12.565 9.021 -2.635 1.00 0.00 C ATOM 521 O LYS A 119 -13.045 8.888 -3.770 1.00 0.00 O ATOM 522 CB LYS A 119 -13.742 10.458 -0.929 1.00 0.00 C ATOM 523 CG LYS A 119 -14.763 10.557 0.202 1.00 0.00 C ATOM 524 CD LYS A 119 -16.130 10.033 -0.218 1.00 0.00 C ATOM 525 CE LYS A 119 -17.134 10.081 0.925 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.391 11.454 1.410 1.00 0.00 N ATOM 0 H LYS A 119 -12.486 8.750 0.420 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.424 8.592 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.805 10.906 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.096 11.049 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.407 9.992 1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.854 11.596 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.504 10.624 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.032 9.007 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.073 9.636 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.765 9.473 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.154 11.436 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.527 11.836 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.673 12.057 0.611 1.00 0.00 H new ATOM 540 N ARG A 120 -11.257 9.099 -2.416 1.00 0.00 N ATOM 541 CA ARG A 120 -10.308 9.056 -3.521 1.00 0.00 C ATOM 542 C ARG A 120 -9.898 7.629 -3.779 1.00 0.00 C ATOM 543 O ARG A 120 -9.198 7.336 -4.761 1.00 0.00 O ATOM 544 CB ARG A 120 -9.064 9.875 -3.200 1.00 0.00 C ATOM 545 CG ARG A 120 -9.323 11.337 -2.924 1.00 0.00 C ATOM 546 CD ARG A 120 -9.923 12.039 -4.124 1.00 0.00 C ATOM 547 NE ARG A 120 -10.152 13.453 -3.850 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.661 14.348 -4.699 1.00 0.00 C ATOM 549 NH1 ARG A 120 -11.104 13.978 -5.893 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.750 15.613 -4.327 1.00 0.00 N ATOM 0 H ARG A 120 -10.833 9.191 -1.493 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.791 9.476 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.572 9.437 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.368 9.795 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.997 11.432 -2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.389 11.825 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.256 11.935 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.865 11.561 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.899 13.790 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.058 12.998 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.491 14.673 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.431 15.896 -3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.137 16.307 -4.967 1.00 0.00 H new ATOM 564 N GLU A 121 -10.343 6.751 -2.883 1.00 0.00 N ATOM 565 CA GLU A 121 -10.048 5.326 -2.911 1.00 0.00 C ATOM 566 C GLU A 121 -8.544 5.107 -2.775 1.00 0.00 C ATOM 567 O GLU A 121 -7.974 4.137 -3.295 1.00 0.00 O ATOM 568 CB GLU A 121 -10.611 4.670 -4.176 1.00 0.00 C ATOM 569 CG GLU A 121 -12.119 4.793 -4.307 1.00 0.00 C ATOM 570 CD GLU A 121 -12.645 4.148 -5.557 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.530 4.754 -6.648 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.197 3.034 -5.479 1.00 0.00 O ATOM 0 H GLU A 121 -10.935 7.022 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.538 4.845 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.141 5.122 -5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.340 3.614 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.594 4.335 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.396 5.847 -4.303 1.00 0.00 H new ATOM 579 N THR A 122 -7.914 5.985 -2.035 1.00 0.00 N ATOM 580 CA THR A 122 -6.503 5.909 -1.823 1.00 0.00 C ATOM 581 C THR A 122 -6.200 5.828 -0.335 1.00 0.00 C ATOM 582 O THR A 122 -7.063 6.087 0.492 1.00 0.00 O ATOM 583 CB THR A 122 -5.770 7.115 -2.444 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.304 8.341 -1.913 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.902 7.132 -3.960 1.00 0.00 C ATOM 0 H THR A 122 -8.370 6.768 -1.567 1.00 0.00 H new ATOM 0 HA THR A 122 -6.142 5.006 -2.316 1.00 0.00 H new ATOM 0 HB THR A 122 -4.714 7.023 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.832 9.103 -2.311 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.373 7.996 -4.362 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.472 6.219 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.956 7.193 -4.233 1.00 0.00 H new ATOM 593 N CYS A 123 -5.012 5.439 -0.004 1.00 0.00 N ATOM 594 CA CYS A 123 -4.596 5.351 1.358 1.00 0.00 C ATOM 595 C CYS A 123 -3.125 5.637 1.476 1.00 0.00 C ATOM 596 O CYS A 123 -2.371 5.458 0.521 1.00 0.00 O ATOM 597 CB CYS A 123 -4.893 3.967 1.891 1.00 0.00 C ATOM 598 SG CYS A 123 -4.196 2.653 0.885 1.00 0.00 S ATOM 0 H CYS A 123 -4.295 5.171 -0.678 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.143 6.091 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.503 3.884 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.973 3.833 1.953 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.338 1.977 1.589 1.00 0.00 H new ATOM 604 N VAL A 124 -2.719 6.061 2.624 1.00 0.00 N ATOM 605 CA VAL A 124 -1.341 6.297 2.894 1.00 0.00 C ATOM 606 C VAL A 124 -0.794 5.084 3.609 1.00 0.00 C ATOM 607 O VAL A 124 -1.391 4.610 4.596 1.00 0.00 O ATOM 608 CB VAL A 124 -1.120 7.563 3.759 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.360 7.758 4.048 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.688 8.793 3.062 1.00 0.00 C ATOM 0 H VAL A 124 -3.340 6.256 3.409 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.822 6.467 1.951 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.644 7.427 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.497 8.652 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.743 6.891 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.902 7.872 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.523 9.672 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.190 8.930 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.757 8.658 2.900 1.00 0.00 H new ATOM 620 N VAL A 125 0.308 4.583 3.133 1.00 0.00 N ATOM 621 CA VAL A 125 0.921 3.428 3.704 1.00 0.00 C ATOM 622 C VAL A 125 2.342 3.762 4.102 1.00 0.00 C ATOM 623 O VAL A 125 2.993 4.605 3.477 1.00 0.00 O ATOM 624 CB VAL A 125 0.939 2.212 2.717 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.458 1.804 2.281 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.818 2.492 1.503 1.00 0.00 C ATOM 0 H VAL A 125 0.807 4.970 2.332 1.00 0.00 H new ATOM 0 HA VAL A 125 0.330 3.140 4.574 1.00 0.00 H new ATOM 0 HB VAL A 125 1.369 1.374 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.393 0.957 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.044 1.521 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.941 2.641 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.808 1.628 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.436 3.363 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.839 2.686 1.830 1.00 0.00 H new ATOM 636 N VAL A 126 2.787 3.145 5.144 1.00 0.00 N ATOM 637 CA VAL A 126 4.114 3.323 5.649 1.00 0.00 C ATOM 638 C VAL A 126 4.943 2.123 5.291 1.00 0.00 C ATOM 639 O VAL A 126 4.587 1.005 5.635 1.00 0.00 O ATOM 640 CB VAL A 126 4.122 3.517 7.186 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.552 3.511 7.728 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.406 4.812 7.561 1.00 0.00 C ATOM 0 H VAL A 126 2.227 2.486 5.684 1.00 0.00 H new ATOM 0 HA VAL A 126 4.531 4.223 5.197 1.00 0.00 H new ATOM 0 HB VAL A 126 3.587 2.683 7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.532 3.649 8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.026 2.558 7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.118 4.322 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.420 4.935 8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.913 5.656 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.374 4.771 7.213 1.00 0.00 H new ATOM 652 N TYR A 127 6.018 2.355 4.598 1.00 0.00 N ATOM 653 CA TYR A 127 6.916 1.311 4.192 1.00 0.00 C ATOM 654 C TYR A 127 7.652 0.770 5.381 1.00 0.00 C ATOM 655 O TYR A 127 8.456 1.479 6.024 1.00 0.00 O ATOM 656 CB TYR A 127 7.885 1.800 3.139 1.00 0.00 C ATOM 657 CG TYR A 127 7.216 2.140 1.843 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.837 1.133 0.971 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.959 3.454 1.484 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.217 1.418 -0.212 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.341 3.746 0.294 1.00 0.00 C ATOM 662 CZ TYR A 127 5.971 2.722 -0.551 1.00 0.00 C ATOM 663 OH TYR A 127 5.301 2.995 -1.722 1.00 0.00 O ATOM 0 H TYR A 127 6.301 3.287 4.294 1.00 0.00 H new ATOM 0 HA TYR A 127 6.327 0.508 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.407 2.680 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.639 1.033 2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.035 0.104 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.248 4.256 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.922 0.619 -0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.146 4.773 0.021 1.00 0.00 H new ATOM 0 HH TYR A 127 5.461 3.927 -1.981 1.00 0.00 H new ATOM 673 N THR A 128 7.383 -0.466 5.659 1.00 0.00 N ATOM 674 CA THR A 128 7.911 -1.150 6.781 1.00 0.00 C ATOM 675 C THR A 128 9.407 -1.344 6.616 1.00 0.00 C ATOM 676 O THR A 128 9.876 -1.706 5.539 1.00 0.00 O ATOM 677 CB THR A 128 7.220 -2.505 6.891 1.00 0.00 C ATOM 678 OG1 THR A 128 5.795 -2.295 6.932 1.00 0.00 O ATOM 679 CG2 THR A 128 7.675 -3.260 8.129 1.00 0.00 C ATOM 0 H THR A 128 6.766 -1.042 5.086 1.00 0.00 H new ATOM 0 HA THR A 128 7.736 -0.568 7.686 1.00 0.00 H new ATOM 0 HB THR A 128 7.486 -3.110 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.339 -3.160 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.164 -4.221 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.752 -3.424 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.437 -2.677 9.019 1.00 0.00 H new ATOM 687 N GLY A 129 10.148 -1.019 7.643 1.00 0.00 N ATOM 688 CA GLY A 129 11.567 -1.211 7.608 1.00 0.00 C ATOM 689 C GLY A 129 12.287 0.023 7.143 1.00 0.00 C ATOM 690 O GLY A 129 13.504 0.152 7.323 1.00 0.00 O ATOM 0 H GLY A 129 9.790 -0.621 8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.921 -1.485 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.805 -2.042 6.944 1.00 0.00 H new ATOM 694 N TYR A 130 11.554 0.940 6.557 1.00 0.00 N ATOM 695 CA TYR A 130 12.146 2.136 6.036 1.00 0.00 C ATOM 696 C TYR A 130 11.622 3.348 6.758 1.00 0.00 C ATOM 697 O TYR A 130 12.389 4.201 7.181 1.00 0.00 O ATOM 698 CB TYR A 130 11.883 2.246 4.553 1.00 0.00 C ATOM 699 CG TYR A 130 12.389 1.070 3.760 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.726 0.969 3.431 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.529 0.067 3.334 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.195 -0.094 2.698 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.994 -1.003 2.601 1.00 0.00 C ATOM 704 CZ TYR A 130 13.330 -1.077 2.287 1.00 0.00 C ATOM 705 OH TYR A 130 13.812 -2.144 1.555 1.00 0.00 O ATOM 0 H TYR A 130 10.544 0.875 6.432 1.00 0.00 H new ATOM 0 HA TYR A 130 13.223 2.086 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.810 2.349 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.351 3.155 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.413 1.737 3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.479 0.126 3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.243 -0.156 2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.314 -1.777 2.276 1.00 0.00 H new ATOM 0 HH TYR A 130 13.350 -2.184 0.692 1.00 0.00 H new ATOM 715 N GLY A 131 10.322 3.421 6.906 1.00 0.00 N ATOM 716 CA GLY A 131 9.743 4.522 7.624 1.00 0.00 C ATOM 717 C GLY A 131 9.219 5.629 6.738 1.00 0.00 C ATOM 718 O GLY A 131 8.962 6.729 7.216 1.00 0.00 O ATOM 0 H GLY A 131 9.655 2.740 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.927 4.149 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.492 4.935 8.299 1.00 0.00 H new ATOM 722 N ASN A 132 9.072 5.370 5.458 1.00 0.00 N ATOM 723 CA ASN A 132 8.469 6.377 4.580 1.00 0.00 C ATOM 724 C ASN A 132 7.021 6.103 4.457 1.00 0.00 C ATOM 725 O ASN A 132 6.573 4.996 4.728 1.00 0.00 O ATOM 726 CB ASN A 132 9.055 6.448 3.160 1.00 0.00 C ATOM 727 CG ASN A 132 10.446 7.029 3.064 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.878 7.800 3.923 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.128 6.727 1.980 1.00 0.00 N ATOM 0 H ASN A 132 9.349 4.501 5.001 1.00 0.00 H new ATOM 0 HA ASN A 132 8.686 7.335 5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.069 5.442 2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.387 7.044 2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.050 7.136 1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.735 6.084 1.293 1.00 0.00 H new ATOM 736 N ARG A 133 6.300 7.064 4.019 1.00 0.00 N ATOM 737 CA ARG A 133 4.898 6.928 3.858 1.00 0.00 C ATOM 738 C ARG A 133 4.516 7.483 2.503 1.00 0.00 C ATOM 739 O ARG A 133 5.022 8.522 2.086 1.00 0.00 O ATOM 740 CB ARG A 133 4.148 7.576 5.050 1.00 0.00 C ATOM 741 CG ARG A 133 4.319 9.075 5.197 1.00 0.00 C ATOM 742 CD ARG A 133 3.264 9.831 4.434 1.00 0.00 C ATOM 743 NE ARG A 133 3.541 11.263 4.381 1.00 0.00 N ATOM 744 CZ ARG A 133 2.713 12.194 3.906 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.443 11.891 3.629 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.148 13.437 3.754 1.00 0.00 N ATOM 0 H ARG A 133 6.668 7.979 3.758 1.00 0.00 H new ATOM 0 HA ARG A 133 4.597 5.880 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.085 7.358 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.484 7.098 5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.270 9.346 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.306 9.366 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.200 9.437 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.293 9.668 4.901 1.00 0.00 H new ATOM 0 HE ARG A 133 4.443 11.578 4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.100 10.942 3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.815 12.608 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.109 13.675 4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.522 14.156 3.391 1.00 0.00 H new ATOM 760 N GLU A 134 3.677 6.781 1.821 1.00 0.00 N ATOM 761 CA GLU A 134 3.295 7.107 0.491 1.00 0.00 C ATOM 762 C GLU A 134 1.820 6.815 0.299 1.00 0.00 C ATOM 763 O GLU A 134 1.271 5.947 0.970 1.00 0.00 O ATOM 764 CB GLU A 134 4.201 6.336 -0.481 1.00 0.00 C ATOM 765 CG GLU A 134 3.784 6.360 -1.918 1.00 0.00 C ATOM 766 CD GLU A 134 4.958 6.259 -2.860 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.496 7.313 -3.230 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.350 5.155 -3.267 1.00 0.00 O ATOM 0 H GLU A 134 3.226 5.941 2.184 1.00 0.00 H new ATOM 0 HA GLU A 134 3.427 8.170 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.210 6.743 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.252 5.297 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.097 5.535 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.238 7.282 -2.120 1.00 0.00 H new ATOM 775 N GLU A 135 1.187 7.538 -0.591 1.00 0.00 N ATOM 776 CA GLU A 135 -0.225 7.404 -0.818 1.00 0.00 C ATOM 777 C GLU A 135 -0.451 6.590 -2.068 1.00 0.00 C ATOM 778 O GLU A 135 -0.012 6.954 -3.163 1.00 0.00 O ATOM 779 CB GLU A 135 -0.873 8.772 -0.951 1.00 0.00 C ATOM 780 CG GLU A 135 -2.361 8.729 -1.230 1.00 0.00 C ATOM 781 CD GLU A 135 -2.941 10.093 -1.408 1.00 0.00 C ATOM 782 OE1 GLU A 135 -2.755 10.687 -2.492 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.600 10.594 -0.479 1.00 0.00 O ATOM 0 H GLU A 135 1.641 8.237 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.681 6.895 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.703 9.333 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.380 9.319 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.544 8.138 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.869 8.225 -0.408 1.00 0.00 H new ATOM 790 N GLN A 136 -1.129 5.506 -1.892 1.00 0.00 N ATOM 791 CA GLN A 136 -1.359 4.536 -2.918 1.00 0.00 C ATOM 792 C GLN A 136 -2.842 4.308 -3.027 1.00 0.00 C ATOM 793 O GLN A 136 -3.582 4.670 -2.133 1.00 0.00 O ATOM 794 CB GLN A 136 -0.688 3.235 -2.511 1.00 0.00 C ATOM 795 CG GLN A 136 0.777 3.392 -2.140 1.00 0.00 C ATOM 796 CD GLN A 136 1.681 3.593 -3.334 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.277 4.110 -4.377 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.909 3.268 -3.166 1.00 0.00 N ATOM 0 H GLN A 136 -1.555 5.259 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.958 4.881 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.225 2.810 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.771 2.522 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.884 4.242 -1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.102 2.507 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.208 2.842 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.587 3.436 -3.909 1.00 0.00 H new ATOM 807 N ASN A 137 -3.265 3.729 -4.093 1.00 0.00 N ATOM 808 CA ASN A 137 -4.673 3.438 -4.306 1.00 0.00 C ATOM 809 C ASN A 137 -4.981 2.124 -3.665 1.00 0.00 C ATOM 810 O ASN A 137 -4.166 1.215 -3.712 1.00 0.00 O ATOM 811 CB ASN A 137 -4.981 3.314 -5.792 1.00 0.00 C ATOM 812 CG ASN A 137 -4.578 4.509 -6.615 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.370 5.426 -6.842 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.347 4.523 -7.043 1.00 0.00 N ATOM 0 H ASN A 137 -2.657 3.435 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.268 4.246 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.474 2.432 -6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.051 3.148 -5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.006 5.314 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.725 3.743 -6.832 1.00 0.00 H new ATOM 821 N LEU A 138 -6.148 2.017 -3.099 1.00 0.00 N ATOM 822 CA LEU A 138 -6.615 0.781 -2.459 1.00 0.00 C ATOM 823 C LEU A 138 -6.624 -0.378 -3.462 1.00 0.00 C ATOM 824 O LEU A 138 -6.213 -1.486 -3.154 1.00 0.00 O ATOM 825 CB LEU A 138 -8.015 1.003 -1.907 1.00 0.00 C ATOM 826 CG LEU A 138 -8.134 2.071 -0.828 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.583 2.405 -0.593 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.493 1.603 0.461 1.00 0.00 C ATOM 0 H LEU A 138 -6.822 2.781 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.936 0.522 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.674 1.271 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.380 0.060 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.611 2.965 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.659 3.170 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.025 2.778 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.115 1.510 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.589 2.381 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.990 0.697 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.437 1.394 0.287 1.00 0.00 H new ATOM 840 N SER A 139 -7.032 -0.086 -4.676 1.00 0.00 N ATOM 841 CA SER A 139 -7.100 -1.091 -5.718 1.00 0.00 C ATOM 842 C SER A 139 -5.699 -1.321 -6.340 1.00 0.00 C ATOM 843 O SER A 139 -5.504 -2.221 -7.161 1.00 0.00 O ATOM 844 CB SER A 139 -8.137 -0.662 -6.779 1.00 0.00 C ATOM 845 OG SER A 139 -8.453 -1.694 -7.710 1.00 0.00 O ATOM 0 H SER A 139 -7.324 0.846 -4.970 1.00 0.00 H new ATOM 0 HA SER A 139 -7.422 -2.041 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.050 -0.344 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.755 0.202 -7.322 1.00 0.00 H new ATOM 0 HG SER A 139 -7.672 -2.273 -7.834 1.00 0.00 H new ATOM 851 N ASP A 140 -4.721 -0.524 -5.932 1.00 0.00 N ATOM 852 CA ASP A 140 -3.362 -0.643 -6.467 1.00 0.00 C ATOM 853 C ASP A 140 -2.451 -1.260 -5.419 1.00 0.00 C ATOM 854 O ASP A 140 -1.290 -1.600 -5.689 1.00 0.00 O ATOM 855 CB ASP A 140 -2.806 0.715 -6.906 1.00 0.00 C ATOM 856 CG ASP A 140 -1.491 0.595 -7.661 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.481 0.015 -8.772 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.449 1.053 -7.145 1.00 0.00 O ATOM 0 H ASP A 140 -4.838 0.211 -5.235 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.402 -1.286 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.539 1.216 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.660 1.344 -6.028 1.00 0.00 H new ATOM 863 N LEU A 141 -2.974 -1.402 -4.215 1.00 0.00 N ATOM 864 CA LEU A 141 -2.243 -2.038 -3.149 1.00 0.00 C ATOM 865 C LEU A 141 -2.041 -3.487 -3.465 1.00 0.00 C ATOM 866 O LEU A 141 -2.707 -4.046 -4.344 1.00 0.00 O ATOM 867 CB LEU A 141 -2.940 -1.906 -1.804 1.00 0.00 C ATOM 868 CG LEU A 141 -3.068 -0.512 -1.223 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.708 -0.583 0.141 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.710 0.156 -1.138 1.00 0.00 C ATOM 0 H LEU A 141 -3.907 -1.082 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.282 -1.529 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.942 -2.325 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.404 -2.524 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.700 0.086 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.797 0.422 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.699 -1.030 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.091 -1.193 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.822 1.156 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.054 -0.434 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.277 0.227 -2.136 1.00 0.00 H new ATOM 882 N LEU A 142 -1.130 -4.074 -2.789 1.00 0.00 N ATOM 883 CA LEU A 142 -0.778 -5.426 -3.013 1.00 0.00 C ATOM 884 C LEU A 142 -0.815 -6.147 -1.695 1.00 0.00 C ATOM 885 O LEU A 142 -0.739 -5.509 -0.640 1.00 0.00 O ATOM 886 CB LEU A 142 0.612 -5.451 -3.623 1.00 0.00 C ATOM 887 CG LEU A 142 0.758 -4.629 -4.898 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.196 -4.474 -5.287 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.039 -5.240 -6.022 1.00 0.00 C ATOM 0 H LEU A 142 -0.595 -3.621 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.469 -5.921 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.325 -5.084 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.881 -6.485 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 142 0.361 -3.634 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.264 -3.883 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.737 -3.969 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.635 -5.457 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.080 -4.637 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.318 -6.252 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.093 -5.274 -5.744 1.00 0.00 H new ATOM 901 N SER A 143 -0.918 -7.438 -1.748 1.00 0.00 N ATOM 902 CA SER A 143 -1.052 -8.257 -0.566 1.00 0.00 C ATOM 903 C SER A 143 0.225 -8.236 0.283 1.00 0.00 C ATOM 904 O SER A 143 1.324 -8.166 -0.260 1.00 0.00 O ATOM 905 CB SER A 143 -1.428 -9.661 -0.989 1.00 0.00 C ATOM 906 OG SER A 143 -2.617 -9.624 -1.782 1.00 0.00 O ATOM 0 H SER A 143 -0.912 -7.967 -2.620 1.00 0.00 H new ATOM 0 HA SER A 143 -1.841 -7.853 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.614 -10.110 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.585 -10.286 -0.110 1.00 0.00 H new ATOM 0 HG SER A 143 -3.349 -9.238 -1.257 1.00 0.00 H new ATOM 912 N PRO A 144 0.089 -8.277 1.625 1.00 0.00 N ATOM 913 CA PRO A 144 1.228 -8.199 2.548 1.00 0.00 C ATOM 914 C PRO A 144 2.210 -9.340 2.348 1.00 0.00 C ATOM 915 O PRO A 144 1.830 -10.445 1.928 1.00 0.00 O ATOM 916 CB PRO A 144 0.588 -8.294 3.937 1.00 0.00 C ATOM 917 CG PRO A 144 -0.739 -8.924 3.699 1.00 0.00 C ATOM 918 CD PRO A 144 -1.185 -8.426 2.358 1.00 0.00 C ATOM 0 HA PRO A 144 1.804 -7.286 2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.196 -8.895 4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 144 0.483 -7.309 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -0.664 -10.011 3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -1.450 -8.646 4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.855 -9.132 1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.720 -7.480 2.435 1.00 0.00 H new ATOM 926 N ILE A 145 3.450 -9.077 2.634 1.00 0.00 N ATOM 927 CA ILE A 145 4.484 -10.053 2.470 1.00 0.00 C ATOM 928 C ILE A 145 4.546 -10.915 3.717 1.00 0.00 C ATOM 929 O ILE A 145 4.361 -10.429 4.836 1.00 0.00 O ATOM 930 CB ILE A 145 5.867 -9.400 2.215 1.00 0.00 C ATOM 931 CG1 ILE A 145 5.782 -8.380 1.077 1.00 0.00 C ATOM 932 CG2 ILE A 145 6.919 -10.465 1.899 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.088 -7.683 0.763 1.00 0.00 C ATOM 0 H ILE A 145 3.773 -8.177 2.989 1.00 0.00 H new ATOM 0 HA ILE A 145 4.246 -10.659 1.596 1.00 0.00 H new ATOM 0 HB ILE A 145 6.168 -8.879 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.429 -8.885 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.036 -7.628 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.882 -9.985 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.005 -11.153 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.621 -11.017 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.937 -6.978 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.435 -7.146 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.834 -8.422 0.472 1.00 0.00 H new ATOM 945 N CYS A 146 4.759 -12.173 3.510 1.00 0.00 N ATOM 946 CA CYS A 146 4.830 -13.134 4.581 1.00 0.00 C ATOM 947 C CYS A 146 6.026 -14.054 4.348 1.00 0.00 C ATOM 948 O CYS A 146 6.247 -15.035 5.072 1.00 0.00 O ATOM 949 CB CYS A 146 3.518 -13.928 4.625 1.00 0.00 C ATOM 950 SG CYS A 146 3.326 -15.042 6.034 1.00 0.00 S ATOM 0 H CYS A 146 4.891 -12.576 2.582 1.00 0.00 H new ATOM 0 HA CYS A 146 4.964 -12.633 5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 146 2.687 -13.222 4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 146 3.437 -14.513 3.709 1.00 0.00 H new ATOM 0 HG CYS A 146 4.480 -15.555 6.342 1.00 0.00 H new ATOM 956 N GLU A 147 6.793 -13.727 3.355 1.00 0.00 N ATOM 957 CA GLU A 147 7.934 -14.498 2.994 1.00 0.00 C ATOM 958 C GLU A 147 9.140 -13.595 3.030 1.00 0.00 C ATOM 959 O GLU A 147 9.422 -12.910 2.022 1.00 0.00 O ATOM 960 CB GLU A 147 7.747 -15.125 1.609 1.00 0.00 C ATOM 961 CG GLU A 147 8.867 -16.065 1.203 1.00 0.00 C ATOM 962 CD GLU A 147 8.634 -16.688 -0.137 1.00 0.00 C ATOM 963 OE1 GLU A 147 7.896 -17.688 -0.216 1.00 0.00 O ATOM 964 OE2 GLU A 147 9.180 -16.196 -1.142 1.00 0.00 O ATOM 965 OXT GLU A 147 9.783 -13.515 4.092 1.00 0.00 O ATOM 0 H GLU A 147 6.640 -12.907 2.768 1.00 0.00 H new ATOM 0 HA GLU A 147 8.072 -15.319 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 147 6.804 -15.671 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 147 7.668 -14.329 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.809 -15.517 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 147 8.968 -16.850 1.953 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.298 2.572 -3.760 1.00 0.00 N HETATM 974 CA 2MR A1148 16.383 3.040 -2.383 1.00 0.00 C HETATM 975 CB 2MR A1148 16.016 1.905 -1.424 1.00 0.00 C HETATM 976 CG 2MR A1148 16.008 2.239 0.067 1.00 0.00 C HETATM 977 CD 2MR A1148 14.691 2.856 0.480 1.00 0.00 C HETATM 978 NE 2MR A1148 13.572 1.973 0.096 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.300 2.139 0.421 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.962 3.221 1.188 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.667 3.677 1.710 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.422 1.252 -0.076 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.987 1.152 0.084 1.00 0.00 C HETATM 984 C 2MR A1148 17.790 3.507 -2.146 1.00 0.00 C HETATM 985 O 2MR A1148 17.985 4.689 -1.816 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.720 2.708 -2.375 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.746 1.028 1.140 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.515 2.060 -0.292 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.618 0.293 -0.475 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.988 3.871 0.880 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.242 2.906 2.353 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.808 4.592 2.285 1.00 0.00 H new HETATM 0 HXT 2MR A1148 19.579 3.163 -2.254 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.836 0.528 -0.664 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.186 1.333 0.647 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.822 2.927 0.293 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.801 1.158 -0.473 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.680 3.021 1.557 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.573 3.831 0.007 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.026 1.538 -1.695 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.716 1.085 -1.585 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.686 3.860 -2.208 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.512 3.207 -4.529 1.00 0.00 H new HETATM 0 H 2MR A1148 16.024 1.609 -3.955 1.00 0.00 H new