USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 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 Single : A 5 THR OG1 : rot -61:sc= 0.729 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 93:sc= -1.83 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.348 USER MOD Single : A 41 SER OG : rot 35:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.5) USER MOD Single : A 47 THR OG1 : rot -56:sc= -1 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 76 MET CE :methyl 169:sc= -0.0433 (180deg=-0.232) USER MOD Single : A 77 THR OG1 : rot 101:sc= 0.271 USER MOD Single : A 78 ASN : amide:sc= -7.25! C(o=-7.3!,f=-10!) USER MOD Single : A 80 SER OG : rot -76:sc= -0.516 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 66.082 11.363 0.638 1.00 0.00 N ATOM 35 CA LEU A 3 65.861 10.082 -0.030 1.00 0.00 C ATOM 36 C LEU A 3 67.123 9.224 0.057 1.00 0.00 C ATOM 37 O LEU A 3 68.006 9.495 0.870 1.00 0.00 O ATOM 38 CB LEU A 3 65.460 10.299 -1.491 1.00 0.00 C ATOM 39 CG LEU A 3 66.559 10.837 -2.410 1.00 0.00 C ATOM 40 CD1 LEU A 3 66.279 10.395 -3.847 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.569 12.364 -2.345 1.00 0.00 C ATOM 0 HA LEU A 3 65.046 9.561 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 3 65.106 9.351 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.618 10.991 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 3 67.526 10.450 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 3 67.060 10.777 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.264 9.306 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.313 10.786 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.351 12.751 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.602 12.748 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.761 12.683 -1.321 1.00 0.00 H new ATOM 53 N LEU A 4 67.199 8.177 -0.765 1.00 0.00 N ATOM 54 CA LEU A 4 68.365 7.290 -0.723 1.00 0.00 C ATOM 55 C LEU A 4 69.007 7.145 -2.100 1.00 0.00 C ATOM 56 O LEU A 4 68.461 7.595 -3.108 1.00 0.00 O ATOM 57 CB LEU A 4 67.946 5.907 -0.218 1.00 0.00 C ATOM 58 CG LEU A 4 69.004 5.162 0.609 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.351 4.531 1.841 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.638 4.057 -0.242 1.00 0.00 C ATOM 0 H LEU A 4 66.488 7.925 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 4 69.096 7.733 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.046 6.017 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.679 5.290 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 4 69.770 5.870 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.107 4.004 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.900 5.312 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.581 3.827 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.389 3.530 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.867 3.355 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.110 4.499 -1.119 1.00 0.00 H new ATOM 72 N THR A 5 70.174 6.505 -2.127 1.00 0.00 N ATOM 73 CA THR A 5 70.888 6.295 -3.383 1.00 0.00 C ATOM 74 C THR A 5 71.716 5.015 -3.328 1.00 0.00 C ATOM 75 O THR A 5 71.765 4.328 -2.308 1.00 0.00 O ATOM 76 CB THR A 5 71.818 7.471 -3.676 1.00 0.00 C ATOM 77 OG1 THR A 5 72.547 7.804 -2.502 1.00 0.00 O ATOM 78 CG2 THR A 5 70.988 8.669 -4.122 1.00 0.00 C ATOM 0 H THR A 5 70.641 6.127 -1.303 1.00 0.00 H new ATOM 0 HA THR A 5 70.144 6.211 -4.175 1.00 0.00 H new ATOM 0 HB THR A 5 72.517 7.198 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.924 8.074 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.648 9.511 -4.332 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.431 8.411 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.291 8.943 -3.330 1.00 0.00 H new ATOM 86 N LEU A 6 72.369 4.711 -4.445 1.00 0.00 N ATOM 87 CA LEU A 6 73.203 3.514 -4.532 1.00 0.00 C ATOM 88 C LEU A 6 74.427 3.654 -3.638 1.00 0.00 C ATOM 89 O LEU A 6 74.841 2.706 -2.972 1.00 0.00 O ATOM 90 CB LEU A 6 73.658 3.281 -5.974 1.00 0.00 C ATOM 91 CG LEU A 6 74.486 4.415 -6.586 1.00 0.00 C ATOM 92 CD1 LEU A 6 75.977 4.143 -6.358 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.209 4.497 -8.089 1.00 0.00 C ATOM 0 H LEU A 6 72.339 5.271 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 6 72.608 2.663 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 6 74.245 2.363 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 6 72.777 3.120 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 6 74.212 5.358 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 6 76.565 4.951 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 6 76.177 4.085 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 6 76.251 3.199 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 6 74.798 5.304 -8.524 1.00 0.00 H new ATOM 0 HD22 LEU A 6 74.482 3.553 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 6 73.149 4.692 -8.254 1.00 0.00 H new ATOM 105 N SER A 7 74.996 4.852 -3.625 1.00 0.00 N ATOM 106 CA SER A 7 76.175 5.117 -2.803 1.00 0.00 C ATOM 107 C SER A 7 75.849 4.909 -1.326 1.00 0.00 C ATOM 108 O SER A 7 76.702 4.502 -0.536 1.00 0.00 O ATOM 109 CB SER A 7 76.661 6.553 -3.016 1.00 0.00 C ATOM 110 OG SER A 7 78.077 6.555 -3.140 1.00 0.00 O ATOM 0 H SER A 7 74.666 5.650 -4.168 1.00 0.00 H new ATOM 0 HA SER A 7 76.961 4.423 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 7 76.205 6.974 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.357 7.180 -2.178 1.00 0.00 H new ATOM 0 HG SER A 7 78.392 7.473 -3.278 1.00 0.00 H new ATOM 116 N ASP A 8 74.602 5.197 -0.964 1.00 0.00 N ATOM 117 CA ASP A 8 74.162 5.047 0.415 1.00 0.00 C ATOM 118 C ASP A 8 74.103 3.575 0.803 1.00 0.00 C ATOM 119 O ASP A 8 74.822 3.124 1.689 1.00 0.00 O ATOM 120 CB ASP A 8 72.773 5.661 0.594 1.00 0.00 C ATOM 121 CG ASP A 8 72.834 7.165 0.346 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.864 7.755 0.629 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.845 7.706 -0.122 1.00 0.00 O ATOM 0 H ASP A 8 73.883 5.534 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 8 74.879 5.560 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.069 5.198 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.406 5.464 1.601 1.00 0.00 H new ATOM 128 N LEU A 9 73.231 2.828 0.133 1.00 0.00 N ATOM 129 CA LEU A 9 73.076 1.398 0.422 1.00 0.00 C ATOM 130 C LEU A 9 74.419 0.671 0.366 1.00 0.00 C ATOM 131 O LEU A 9 74.654 -0.288 1.101 1.00 0.00 O ATOM 132 CB LEU A 9 72.129 0.754 -0.588 1.00 0.00 C ATOM 133 CG LEU A 9 71.829 -0.726 -0.344 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.898 -0.866 0.862 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.153 -1.319 -1.581 1.00 0.00 C ATOM 0 H LEU A 9 72.624 3.180 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 9 72.666 1.311 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.189 1.305 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.557 0.862 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 9 72.760 -1.258 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.684 -1.921 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 9 71.379 -0.443 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.967 -0.334 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 9 70.939 -2.374 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.222 -0.787 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.816 -1.220 -2.441 1.00 0.00 H new ATOM 147 N LEU A 10 75.289 1.134 -0.522 1.00 0.00 N ATOM 148 CA LEU A 10 76.603 0.519 -0.683 1.00 0.00 C ATOM 149 C LEU A 10 77.435 0.635 0.596 1.00 0.00 C ATOM 150 O LEU A 10 77.743 -0.366 1.237 1.00 0.00 O ATOM 151 CB LEU A 10 77.356 1.175 -1.842 1.00 0.00 C ATOM 152 CG LEU A 10 77.297 0.412 -3.170 1.00 0.00 C ATOM 153 CD1 LEU A 10 77.955 -0.964 -3.007 1.00 0.00 C ATOM 154 CD2 LEU A 10 75.835 0.234 -3.594 1.00 0.00 C ATOM 0 H LEU A 10 75.112 1.927 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 10 76.448 -0.538 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.952 2.175 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.401 1.294 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 10 77.831 0.978 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 10 77.911 -1.503 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 10 78.996 -0.837 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.426 -1.532 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.794 -0.309 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.300 -0.328 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.370 1.212 -3.717 1.00 0.00 H new ATOM 166 N THR A 11 77.805 1.868 0.948 1.00 0.00 N ATOM 167 CA THR A 11 78.623 2.120 2.149 1.00 0.00 C ATOM 168 C THR A 11 78.086 1.344 3.353 1.00 0.00 C ATOM 169 O THR A 11 78.842 0.773 4.136 1.00 0.00 O ATOM 170 CB THR A 11 78.684 3.638 2.443 1.00 0.00 C ATOM 171 OG1 THR A 11 79.893 3.935 3.124 1.00 0.00 O ATOM 172 CG2 THR A 11 77.495 4.118 3.294 1.00 0.00 C ATOM 0 H THR A 11 77.556 2.708 0.425 1.00 0.00 H new ATOM 0 HA THR A 11 79.636 1.766 1.959 1.00 0.00 H new ATOM 0 HB THR A 11 78.639 4.160 1.487 1.00 0.00 H new ATOM 0 HG1 THR A 11 79.936 4.896 3.310 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.584 5.190 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.564 3.915 2.765 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.494 3.590 4.248 1.00 0.00 H new ATOM 180 N LEU A 12 76.765 1.319 3.470 1.00 0.00 N ATOM 181 CA LEU A 12 76.122 0.589 4.563 1.00 0.00 C ATOM 182 C LEU A 12 76.453 -0.885 4.432 1.00 0.00 C ATOM 183 O LEU A 12 76.854 -1.541 5.394 1.00 0.00 O ATOM 184 CB LEU A 12 74.608 0.770 4.528 1.00 0.00 C ATOM 185 CG LEU A 12 74.138 2.217 4.615 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.630 2.282 4.367 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.449 2.765 6.008 1.00 0.00 C ATOM 0 H LEU A 12 76.122 1.788 2.832 1.00 0.00 H new ATOM 0 HA LEU A 12 76.492 0.981 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.225 0.332 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.169 0.209 5.354 1.00 0.00 H new ATOM 0 HG LEU A 12 74.654 2.814 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.295 3.317 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.407 1.888 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.112 1.687 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.114 3.800 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.931 2.167 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.523 2.719 6.186 1.00 0.00 H new ATOM 199 N LEU A 13 76.314 -1.387 3.212 1.00 0.00 N ATOM 200 CA LEU A 13 76.642 -2.782 2.938 1.00 0.00 C ATOM 201 C LEU A 13 78.131 -2.991 3.200 1.00 0.00 C ATOM 202 O LEU A 13 78.550 -4.027 3.712 1.00 0.00 O ATOM 203 CB LEU A 13 76.300 -3.159 1.492 1.00 0.00 C ATOM 204 CG LEU A 13 74.943 -3.852 1.315 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.655 -4.060 -0.175 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.968 -5.210 2.024 1.00 0.00 C ATOM 0 H LEU A 13 75.981 -0.859 2.406 1.00 0.00 H new ATOM 0 HA LEU A 13 76.051 -3.424 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 13 76.314 -2.256 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 13 77.081 -3.815 1.107 1.00 0.00 H new ATOM 0 HG LEU A 13 74.162 -3.227 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.690 -4.553 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.634 -3.094 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.436 -4.682 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.004 -5.704 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.753 -5.831 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.165 -5.062 3.086 1.00 0.00 H new ATOM 218 N ARG A 14 78.918 -1.965 2.874 1.00 0.00 N ATOM 219 CA ARG A 14 80.352 -2.012 3.111 1.00 0.00 C ATOM 220 C ARG A 14 80.611 -2.050 4.618 1.00 0.00 C ATOM 221 O ARG A 14 81.473 -2.775 5.100 1.00 0.00 O ATOM 222 CB ARG A 14 81.026 -0.771 2.508 1.00 0.00 C ATOM 223 CG ARG A 14 82.540 -0.813 2.748 1.00 0.00 C ATOM 224 CD ARG A 14 83.074 0.610 2.929 1.00 0.00 C ATOM 225 NE ARG A 14 84.126 0.640 3.947 1.00 0.00 N ATOM 226 CZ ARG A 14 83.851 0.581 5.259 1.00 0.00 C ATOM 227 NH1 ARG A 14 82.616 0.494 5.692 1.00 0.00 N ATOM 228 NH2 ARG A 14 84.832 0.610 6.120 1.00 0.00 N ATOM 0 H ARG A 14 78.585 -1.100 2.449 1.00 0.00 H new ATOM 0 HA ARG A 14 80.765 -2.904 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.822 -0.723 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.606 0.131 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.761 -1.410 3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 14 83.038 -1.294 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 14 83.466 0.980 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.261 1.275 3.219 1.00 0.00 H new ATOM 0 HE ARG A 14 85.099 0.708 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 14 81.843 0.470 5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 14 82.429 0.450 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 14 85.796 0.677 5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 14 84.635 0.566 7.120 1.00 0.00 H new ATOM 242 N GLU A 15 79.850 -1.252 5.354 1.00 0.00 N ATOM 243 CA GLU A 15 80.001 -1.195 6.803 1.00 0.00 C ATOM 244 C GLU A 15 79.679 -2.555 7.420 1.00 0.00 C ATOM 245 O GLU A 15 80.348 -3.011 8.347 1.00 0.00 O ATOM 246 CB GLU A 15 79.058 -0.131 7.386 1.00 0.00 C ATOM 247 CG GLU A 15 79.201 -0.070 8.916 1.00 0.00 C ATOM 248 CD GLU A 15 79.688 1.313 9.341 1.00 0.00 C ATOM 249 OE1 GLU A 15 79.067 2.285 8.947 1.00 0.00 O ATOM 250 OE2 GLU A 15 80.676 1.376 10.054 1.00 0.00 O ATOM 0 H GLU A 15 79.127 -0.639 4.976 1.00 0.00 H new ATOM 0 HA GLU A 15 81.032 -0.932 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.287 0.843 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.027 -0.364 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.243 -0.288 9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 15 79.903 -0.832 9.254 1.00 0.00 H new ATOM 257 N CYS A 16 78.632 -3.180 6.901 1.00 0.00 N ATOM 258 CA CYS A 16 78.199 -4.482 7.410 1.00 0.00 C ATOM 259 C CYS A 16 79.081 -5.614 6.886 1.00 0.00 C ATOM 260 O CYS A 16 79.635 -6.395 7.658 1.00 0.00 O ATOM 261 CB CYS A 16 76.753 -4.753 7.001 1.00 0.00 C ATOM 262 SG CYS A 16 76.003 -5.897 8.184 1.00 0.00 S ATOM 0 H CYS A 16 78.068 -2.814 6.134 1.00 0.00 H new ATOM 0 HA CYS A 16 78.283 -4.449 8.496 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.190 -3.820 6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.720 -5.176 5.997 1.00 0.00 H new ATOM 0 HG CYS A 16 75.400 -5.222 9.117 1.00 0.00 H new ATOM 268 N ALA A 17 79.190 -5.703 5.565 1.00 0.00 N ATOM 269 CA ALA A 17 79.990 -6.759 4.943 1.00 0.00 C ATOM 270 C ALA A 17 81.470 -6.408 4.947 1.00 0.00 C ATOM 271 O ALA A 17 82.309 -7.191 5.394 1.00 0.00 O ATOM 272 CB ALA A 17 79.556 -6.976 3.493 1.00 0.00 C ATOM 0 H ALA A 17 78.741 -5.065 4.908 1.00 0.00 H new ATOM 0 HA ALA A 17 79.830 -7.666 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.161 -7.765 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 17 78.506 -7.266 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 17 79.691 -6.052 2.931 1.00 0.00 H new ATOM 417 N VAL A 29 76.794 -2.851 -10.690 1.00 0.00 N ATOM 418 CA VAL A 29 76.039 -4.033 -10.286 1.00 0.00 C ATOM 419 C VAL A 29 74.755 -3.631 -9.564 1.00 0.00 C ATOM 420 O VAL A 29 74.245 -4.369 -8.721 1.00 0.00 O ATOM 421 CB VAL A 29 76.879 -4.913 -9.359 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.088 -5.454 -10.125 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.363 -4.084 -8.167 1.00 0.00 C ATOM 0 HA VAL A 29 75.786 -4.592 -11.187 1.00 0.00 H new ATOM 0 HB VAL A 29 76.272 -5.745 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.687 -6.081 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 77.746 -6.045 -10.974 1.00 0.00 H new ATOM 0 HG13 VAL A 29 78.694 -4.622 -10.483 1.00 0.00 H new ATOM 0 HG21 VAL A 29 77.962 -4.711 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 29 77.969 -3.252 -8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.503 -3.698 -7.620 1.00 0.00 H new ATOM 433 N GLU A 30 74.236 -2.454 -9.906 1.00 0.00 N ATOM 434 CA GLU A 30 73.011 -1.966 -9.288 1.00 0.00 C ATOM 435 C GLU A 30 71.829 -2.867 -9.648 1.00 0.00 C ATOM 436 O GLU A 30 70.868 -2.988 -8.890 1.00 0.00 O ATOM 437 CB GLU A 30 72.722 -0.539 -9.756 1.00 0.00 C ATOM 438 CG GLU A 30 72.588 -0.506 -11.283 1.00 0.00 C ATOM 439 CD GLU A 30 73.153 0.804 -11.819 1.00 0.00 C ATOM 440 OE1 GLU A 30 74.246 1.166 -11.414 1.00 0.00 O ATOM 441 OE2 GLU A 30 72.486 1.428 -12.628 1.00 0.00 O ATOM 0 H GLU A 30 74.642 -1.828 -10.601 1.00 0.00 H new ATOM 0 HA GLU A 30 73.146 -1.976 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 30 71.804 -0.175 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 30 73.525 0.126 -9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.120 -1.350 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.541 -0.605 -11.568 1.00 0.00 H new ATOM 448 N ASP A 31 71.918 -3.495 -10.818 1.00 0.00 N ATOM 449 CA ASP A 31 70.861 -4.387 -11.282 1.00 0.00 C ATOM 450 C ASP A 31 71.302 -5.851 -11.178 1.00 0.00 C ATOM 451 O ASP A 31 70.776 -6.719 -11.874 1.00 0.00 O ATOM 452 CB ASP A 31 70.508 -4.072 -12.738 1.00 0.00 C ATOM 453 CG ASP A 31 69.586 -2.859 -12.787 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.453 -2.984 -12.353 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.026 -1.824 -13.257 1.00 0.00 O ATOM 0 H ASP A 31 72.707 -3.403 -11.458 1.00 0.00 H new ATOM 0 HA ASP A 31 69.987 -4.233 -10.650 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.415 -3.876 -13.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.021 -4.931 -13.199 1.00 0.00 H new ATOM 460 N VAL A 32 72.271 -6.116 -10.297 1.00 0.00 N ATOM 461 CA VAL A 32 72.772 -7.475 -10.107 1.00 0.00 C ATOM 462 C VAL A 32 72.393 -7.980 -8.716 1.00 0.00 C ATOM 463 O VAL A 32 72.789 -7.402 -7.704 1.00 0.00 O ATOM 464 CB VAL A 32 74.296 -7.502 -10.256 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.798 -8.946 -10.191 1.00 0.00 C ATOM 466 CG2 VAL A 32 74.683 -6.886 -11.603 1.00 0.00 C ATOM 0 H VAL A 32 72.719 -5.412 -9.710 1.00 0.00 H new ATOM 0 HA VAL A 32 72.325 -8.120 -10.864 1.00 0.00 H new ATOM 0 HB VAL A 32 74.749 -6.929 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.883 -8.959 -10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.522 -9.384 -9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.347 -9.525 -10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 32 75.767 -6.903 -11.713 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.227 -7.460 -12.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.330 -5.856 -11.647 1.00 0.00 H new ATOM 476 N ALA A 33 71.608 -9.062 -8.680 1.00 0.00 N ATOM 477 CA ALA A 33 71.149 -9.649 -7.412 1.00 0.00 C ATOM 478 C ALA A 33 72.270 -9.731 -6.373 1.00 0.00 C ATOM 479 O ALA A 33 73.443 -9.880 -6.710 1.00 0.00 O ATOM 480 CB ALA A 33 70.594 -11.056 -7.642 1.00 0.00 C ATOM 0 H ALA A 33 71.276 -9.550 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 33 70.368 -8.991 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.259 -11.475 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.753 -11.007 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.374 -11.690 -8.063 1.00 0.00 H new ATOM 486 N PHE A 34 71.881 -9.625 -5.102 1.00 0.00 N ATOM 487 CA PHE A 34 72.842 -9.678 -3.996 1.00 0.00 C ATOM 488 C PHE A 34 73.685 -10.951 -4.058 1.00 0.00 C ATOM 489 O PHE A 34 74.865 -10.948 -3.705 1.00 0.00 O ATOM 490 CB PHE A 34 72.109 -9.645 -2.653 1.00 0.00 C ATOM 491 CG PHE A 34 71.385 -8.329 -2.496 1.00 0.00 C ATOM 492 CD1 PHE A 34 72.106 -7.129 -2.473 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.992 -8.310 -2.367 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.433 -5.911 -2.320 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.319 -7.091 -2.215 1.00 0.00 C ATOM 496 CZ PHE A 34 70.039 -5.892 -2.191 1.00 0.00 C ATOM 0 H PHE A 34 70.911 -9.502 -4.812 1.00 0.00 H new ATOM 0 HA PHE A 34 73.495 -8.810 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.399 -10.470 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.820 -9.779 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.181 -7.143 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.435 -9.235 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.989 -4.986 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.244 -7.077 -2.116 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.520 -4.952 -2.073 1.00 0.00 H new ATOM 506 N ASP A 35 73.065 -12.040 -4.506 1.00 0.00 N ATOM 507 CA ASP A 35 73.758 -13.319 -4.607 1.00 0.00 C ATOM 508 C ASP A 35 74.985 -13.206 -5.509 1.00 0.00 C ATOM 509 O ASP A 35 75.987 -13.891 -5.307 1.00 0.00 O ATOM 510 CB ASP A 35 72.818 -14.382 -5.176 1.00 0.00 C ATOM 511 CG ASP A 35 72.237 -13.894 -6.499 1.00 0.00 C ATOM 512 OD1 ASP A 35 72.985 -13.821 -7.462 1.00 0.00 O ATOM 513 OD2 ASP A 35 71.054 -13.600 -6.532 1.00 0.00 O ATOM 0 H ASP A 35 72.089 -12.062 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 35 74.079 -13.606 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 35 73.358 -15.317 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.015 -14.589 -4.468 1.00 0.00 H new ATOM 518 N ALA A 36 74.892 -12.335 -6.510 1.00 0.00 N ATOM 519 CA ALA A 36 75.996 -12.140 -7.439 1.00 0.00 C ATOM 520 C ALA A 36 77.024 -11.171 -6.859 1.00 0.00 C ATOM 521 O ALA A 36 78.227 -11.326 -7.065 1.00 0.00 O ATOM 522 CB ALA A 36 75.484 -11.590 -8.771 1.00 0.00 C ATOM 0 H ALA A 36 74.071 -11.759 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 36 76.469 -13.108 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.322 -11.450 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.775 -12.294 -9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.989 -10.633 -8.604 1.00 0.00 H new ATOM 528 N LEU A 37 76.537 -10.170 -6.129 1.00 0.00 N ATOM 529 CA LEU A 37 77.427 -9.180 -5.522 1.00 0.00 C ATOM 530 C LEU A 37 78.372 -9.853 -4.532 1.00 0.00 C ATOM 531 O LEU A 37 79.524 -9.447 -4.376 1.00 0.00 O ATOM 532 CB LEU A 37 76.623 -8.106 -4.787 1.00 0.00 C ATOM 533 CG LEU A 37 75.416 -7.554 -5.550 1.00 0.00 C ATOM 534 CD1 LEU A 37 74.800 -6.398 -4.761 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.866 -7.047 -6.923 1.00 0.00 C ATOM 0 H LEU A 37 75.545 -10.023 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 37 78.003 -8.715 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.275 -8.520 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.290 -7.278 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 37 74.677 -8.345 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 37 73.941 -6.004 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.479 -6.756 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 37 75.541 -5.609 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.006 -6.654 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.606 -6.257 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.307 -7.869 -7.488 1.00 0.00 H new ATOM 547 N GLY A 38 77.871 -10.890 -3.868 1.00 0.00 N ATOM 548 CA GLY A 38 78.676 -11.622 -2.895 1.00 0.00 C ATOM 549 C GLY A 38 78.128 -11.462 -1.476 1.00 0.00 C ATOM 550 O GLY A 38 78.852 -11.653 -0.498 1.00 0.00 O ATOM 0 H GLY A 38 76.920 -11.240 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.697 -12.679 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.705 -11.264 -2.931 1.00 0.00 H new ATOM 554 N TYR A 39 76.844 -11.119 -1.366 1.00 0.00 N ATOM 555 CA TYR A 39 76.229 -10.950 -0.052 1.00 0.00 C ATOM 556 C TYR A 39 75.485 -12.220 0.345 1.00 0.00 C ATOM 557 O TYR A 39 75.170 -13.059 -0.498 1.00 0.00 O ATOM 558 CB TYR A 39 75.243 -9.780 -0.065 1.00 0.00 C ATOM 559 CG TYR A 39 75.998 -8.486 -0.245 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.830 -8.013 0.775 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.865 -7.758 -1.434 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.529 -6.811 0.609 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.565 -6.557 -1.602 1.00 0.00 C ATOM 564 CZ TYR A 39 77.396 -6.083 -0.580 1.00 0.00 C ATOM 565 OH TYR A 39 78.086 -4.900 -0.745 1.00 0.00 O ATOM 0 H TYR A 39 76.220 -10.956 -2.156 1.00 0.00 H new ATOM 0 HA TYR A 39 77.021 -10.745 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.522 -9.908 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.678 -9.757 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.933 -8.575 1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 39 75.222 -8.123 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.170 -6.446 1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.464 -5.997 -2.520 1.00 0.00 H new ATOM 0 HH TYR A 39 77.883 -4.523 -1.626 1.00 0.00 H new ATOM 575 N ASP A 40 75.206 -12.355 1.639 1.00 0.00 N ATOM 576 CA ASP A 40 74.495 -13.530 2.131 1.00 0.00 C ATOM 577 C ASP A 40 73.034 -13.188 2.392 1.00 0.00 C ATOM 578 O ASP A 40 72.141 -13.583 1.642 1.00 0.00 O ATOM 579 CB ASP A 40 75.135 -14.044 3.423 1.00 0.00 C ATOM 580 CG ASP A 40 76.495 -14.659 3.109 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.524 -15.814 2.717 1.00 0.00 O ATOM 582 OD2 ASP A 40 77.486 -13.966 3.264 1.00 0.00 O ATOM 0 H ASP A 40 75.458 -11.675 2.357 1.00 0.00 H new ATOM 0 HA ASP A 40 74.555 -14.308 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.250 -13.226 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.488 -14.786 3.891 1.00 0.00 H new ATOM 587 N SER A 41 72.805 -12.443 3.467 1.00 0.00 N ATOM 588 CA SER A 41 71.456 -12.030 3.850 1.00 0.00 C ATOM 589 C SER A 41 71.503 -11.368 5.217 1.00 0.00 C ATOM 590 O SER A 41 70.889 -10.326 5.446 1.00 0.00 O ATOM 591 CB SER A 41 70.501 -13.230 3.912 1.00 0.00 C ATOM 592 OG SER A 41 69.870 -13.393 2.649 1.00 0.00 O ATOM 0 H SER A 41 73.538 -12.110 4.093 1.00 0.00 H new ATOM 0 HA SER A 41 71.088 -11.332 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 41 71.050 -14.134 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.752 -13.074 4.688 1.00 0.00 H new ATOM 0 HG SER A 41 70.499 -13.155 1.936 1.00 0.00 H new ATOM 598 N LEU A 42 72.255 -11.990 6.121 1.00 0.00 N ATOM 599 CA LEU A 42 72.401 -11.469 7.480 1.00 0.00 C ATOM 600 C LEU A 42 72.928 -10.037 7.451 1.00 0.00 C ATOM 601 O LEU A 42 72.511 -9.191 8.244 1.00 0.00 O ATOM 602 CB LEU A 42 73.366 -12.340 8.287 1.00 0.00 C ATOM 603 CG LEU A 42 74.791 -12.421 7.730 1.00 0.00 C ATOM 604 CD1 LEU A 42 75.666 -11.355 8.397 1.00 0.00 C ATOM 605 CD2 LEU A 42 75.374 -13.809 8.016 1.00 0.00 C ATOM 0 H LEU A 42 72.771 -12.851 5.940 1.00 0.00 H new ATOM 0 HA LEU A 42 71.418 -11.483 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.412 -11.955 9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 42 72.958 -13.349 8.345 1.00 0.00 H new ATOM 0 HG LEU A 42 74.767 -12.250 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.679 -11.415 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.254 -10.367 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 42 75.688 -11.524 9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.388 -13.867 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.395 -13.980 9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 74.755 -14.569 7.540 1.00 0.00 H new ATOM 617 N ALA A 43 73.842 -9.773 6.522 1.00 0.00 N ATOM 618 CA ALA A 43 74.409 -8.435 6.398 1.00 0.00 C ATOM 619 C ALA A 43 73.376 -7.487 5.818 1.00 0.00 C ATOM 620 O ALA A 43 73.237 -6.354 6.272 1.00 0.00 O ATOM 621 CB ALA A 43 75.642 -8.452 5.493 1.00 0.00 C ATOM 0 H ALA A 43 74.201 -10.455 5.854 1.00 0.00 H new ATOM 0 HA ALA A 43 74.703 -8.096 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 43 76.049 -7.444 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.395 -9.116 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.361 -8.808 4.502 1.00 0.00 H new ATOM 627 N LEU A 44 72.639 -7.969 4.823 1.00 0.00 N ATOM 628 CA LEU A 44 71.603 -7.156 4.194 1.00 0.00 C ATOM 629 C LEU A 44 70.528 -6.820 5.217 1.00 0.00 C ATOM 630 O LEU A 44 70.041 -5.692 5.290 1.00 0.00 O ATOM 631 CB LEU A 44 70.975 -7.908 3.021 1.00 0.00 C ATOM 632 CG LEU A 44 71.630 -7.638 1.669 1.00 0.00 C ATOM 633 CD1 LEU A 44 71.057 -8.593 0.623 1.00 0.00 C ATOM 634 CD2 LEU A 44 71.345 -6.194 1.255 1.00 0.00 C ATOM 0 H LEU A 44 72.737 -8.908 4.438 1.00 0.00 H new ATOM 0 HA LEU A 44 72.055 -6.237 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 44 71.022 -8.978 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.920 -7.641 2.959 1.00 0.00 H new ATOM 0 HG LEU A 44 72.706 -7.793 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.525 -8.399 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 44 71.255 -9.622 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.981 -8.440 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 44 71.810 -5.994 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 44 70.268 -6.044 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 44 71.753 -5.514 2.002 1.00 0.00 H new ATOM 646 N LEU A 45 70.181 -7.823 6.018 1.00 0.00 N ATOM 647 CA LEU A 45 69.173 -7.654 7.067 1.00 0.00 C ATOM 648 C LEU A 45 69.566 -6.499 7.990 1.00 0.00 C ATOM 649 O LEU A 45 68.736 -5.671 8.365 1.00 0.00 O ATOM 650 CB LEU A 45 69.043 -8.951 7.882 1.00 0.00 C ATOM 651 CG LEU A 45 68.267 -8.845 9.203 1.00 0.00 C ATOM 652 CD1 LEU A 45 66.915 -8.172 8.956 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.040 -10.246 9.773 1.00 0.00 C ATOM 0 H LEU A 45 70.580 -8.760 5.963 1.00 0.00 H new ATOM 0 HA LEU A 45 68.214 -7.427 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.557 -9.701 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.045 -9.320 8.101 1.00 0.00 H new ATOM 0 HG LEU A 45 68.842 -8.249 9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.368 -8.099 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.075 -7.173 8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.338 -8.764 8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.489 -10.172 10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.467 -10.840 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.002 -10.725 9.954 1.00 0.00 H new ATOM 665 N ASN A 46 70.847 -6.456 8.340 1.00 0.00 N ATOM 666 CA ASN A 46 71.352 -5.400 9.208 1.00 0.00 C ATOM 667 C ASN A 46 71.292 -4.057 8.491 1.00 0.00 C ATOM 668 O ASN A 46 70.796 -3.068 9.032 1.00 0.00 O ATOM 669 CB ASN A 46 72.799 -5.682 9.614 1.00 0.00 C ATOM 670 CG ASN A 46 72.843 -6.890 10.540 1.00 0.00 C ATOM 671 OD1 ASN A 46 72.182 -6.912 11.579 1.00 0.00 O ATOM 672 ND2 ASN A 46 73.591 -7.910 10.223 1.00 0.00 N ATOM 0 H ASN A 46 71.548 -7.133 8.039 1.00 0.00 H new ATOM 0 HA ASN A 46 70.727 -5.369 10.101 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.406 -5.868 8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.223 -4.812 10.115 1.00 0.00 H new ATOM 0 HD21 ASN A 46 73.628 -8.725 10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.139 -7.893 9.363 1.00 0.00 H new ATOM 679 N THR A 47 71.804 -4.033 7.258 1.00 0.00 N ATOM 680 CA THR A 47 71.805 -2.797 6.465 1.00 0.00 C ATOM 681 C THR A 47 70.387 -2.242 6.334 1.00 0.00 C ATOM 682 O THR A 47 70.129 -1.079 6.642 1.00 0.00 O ATOM 683 CB THR A 47 72.382 -3.034 5.052 1.00 0.00 C ATOM 684 OG1 THR A 47 72.743 -4.398 4.898 1.00 0.00 O ATOM 685 CG2 THR A 47 73.619 -2.156 4.830 1.00 0.00 C ATOM 0 H THR A 47 72.217 -4.840 6.791 1.00 0.00 H new ATOM 0 HA THR A 47 72.436 -2.079 6.989 1.00 0.00 H new ATOM 0 HB THR A 47 71.619 -2.773 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.375 -4.651 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.016 -2.333 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.343 -1.106 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.379 -2.404 5.571 1.00 0.00 H new ATOM 693 N VAL A 48 69.475 -3.093 5.873 1.00 0.00 N ATOM 694 CA VAL A 48 68.075 -2.691 5.695 1.00 0.00 C ATOM 695 C VAL A 48 67.504 -2.121 6.991 1.00 0.00 C ATOM 696 O VAL A 48 66.683 -1.204 6.974 1.00 0.00 O ATOM 697 CB VAL A 48 67.223 -3.888 5.258 1.00 0.00 C ATOM 698 CG1 VAL A 48 65.813 -3.409 4.891 1.00 0.00 C ATOM 699 CG2 VAL A 48 67.871 -4.570 4.041 1.00 0.00 C ATOM 0 H VAL A 48 69.674 -4.060 5.616 1.00 0.00 H new ATOM 0 HA VAL A 48 68.048 -1.923 4.922 1.00 0.00 H new ATOM 0 HB VAL A 48 67.159 -4.603 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.209 -4.261 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.353 -2.934 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 48 65.874 -2.691 4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.262 -5.420 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 48 67.941 -3.858 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 48 68.870 -4.916 4.307 1.00 0.00 H new ATOM 709 N GLY A 49 67.957 -2.668 8.115 1.00 0.00 N ATOM 710 CA GLY A 49 67.491 -2.196 9.416 1.00 0.00 C ATOM 711 C GLY A 49 67.878 -0.736 9.615 1.00 0.00 C ATOM 712 O GLY A 49 67.107 0.063 10.151 1.00 0.00 O ATOM 0 H GLY A 49 68.637 -3.428 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.409 -2.306 9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.924 -2.806 10.209 1.00 0.00 H new ATOM 716 N ARG A 50 69.083 -0.394 9.166 1.00 0.00 N ATOM 717 CA ARG A 50 69.566 0.973 9.288 1.00 0.00 C ATOM 718 C ARG A 50 68.734 1.898 8.412 1.00 0.00 C ATOM 719 O ARG A 50 68.459 3.038 8.775 1.00 0.00 O ATOM 720 CB ARG A 50 71.034 1.066 8.867 1.00 0.00 C ATOM 721 CG ARG A 50 71.655 2.335 9.457 1.00 0.00 C ATOM 722 CD ARG A 50 72.313 2.012 10.802 1.00 0.00 C ATOM 723 NE ARG A 50 72.050 3.077 11.772 1.00 0.00 N ATOM 724 CZ ARG A 50 72.532 3.036 13.024 1.00 0.00 C ATOM 725 NH1 ARG A 50 73.270 2.033 13.435 1.00 0.00 N ATOM 726 NH2 ARG A 50 72.263 4.013 13.846 1.00 0.00 N ATOM 0 H ARG A 50 69.735 -1.039 8.719 1.00 0.00 H new ATOM 0 HA ARG A 50 69.476 1.275 10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.579 0.187 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.111 1.082 7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 50 72.395 2.743 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 50 70.888 3.098 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 50 71.931 1.064 11.182 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.388 1.892 10.668 1.00 0.00 H new ATOM 0 HE ARG A 50 71.483 3.875 11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 50 73.487 1.265 12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 50 73.627 2.020 14.390 1.00 0.00 H new ATOM 0 HH21 ARG A 50 71.691 4.798 13.535 1.00 0.00 H new ATOM 0 HH22 ARG A 50 72.624 3.991 14.800 1.00 0.00 H new ATOM 740 N ILE A 51 68.332 1.386 7.253 1.00 0.00 N ATOM 741 CA ILE A 51 67.523 2.174 6.328 1.00 0.00 C ATOM 742 C ILE A 51 66.174 2.497 6.953 1.00 0.00 C ATOM 743 O ILE A 51 65.785 3.658 7.067 1.00 0.00 O ATOM 744 CB ILE A 51 67.278 1.414 5.016 1.00 0.00 C ATOM 745 CG1 ILE A 51 68.593 0.838 4.465 1.00 0.00 C ATOM 746 CG2 ILE A 51 66.675 2.370 3.984 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.633 1.950 4.297 1.00 0.00 C ATOM 0 H ILE A 51 68.549 0.442 6.934 1.00 0.00 H new ATOM 0 HA ILE A 51 68.072 3.091 6.116 1.00 0.00 H new ATOM 0 HB ILE A 51 66.592 0.590 5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 51 68.975 0.073 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 51 68.412 0.353 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.499 1.835 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 51 65.730 2.763 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.365 3.194 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.558 1.527 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.255 2.700 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.827 2.416 5.263 1.00 0.00 H new ATOM 759 N GLU A 52 65.458 1.450 7.346 1.00 0.00 N ATOM 760 CA GLU A 52 64.139 1.620 7.950 1.00 0.00 C ATOM 761 C GLU A 52 64.202 2.492 9.203 1.00 0.00 C ATOM 762 O GLU A 52 63.196 3.068 9.613 1.00 0.00 O ATOM 763 CB GLU A 52 63.538 0.261 8.316 1.00 0.00 C ATOM 764 CG GLU A 52 64.487 -0.486 9.257 1.00 0.00 C ATOM 765 CD GLU A 52 63.861 -1.816 9.661 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.818 -2.706 8.826 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.433 -1.927 10.798 1.00 0.00 O ATOM 0 H GLU A 52 65.764 0.481 7.259 1.00 0.00 H new ATOM 0 HA GLU A 52 63.509 2.116 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.569 0.398 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.367 -0.327 7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.444 -0.657 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.688 0.117 10.142 1.00 0.00 H new ATOM 774 N ARG A 53 65.380 2.582 9.816 1.00 0.00 N ATOM 775 CA ARG A 53 65.522 3.390 11.026 1.00 0.00 C ATOM 776 C ARG A 53 65.991 4.802 10.691 1.00 0.00 C ATOM 777 O ARG A 53 65.418 5.788 11.155 1.00 0.00 O ATOM 778 CB ARG A 53 66.523 2.745 11.987 1.00 0.00 C ATOM 779 CG ARG A 53 66.151 3.101 13.428 1.00 0.00 C ATOM 780 CD ARG A 53 66.979 2.252 14.394 1.00 0.00 C ATOM 781 NE ARG A 53 66.600 2.529 15.782 1.00 0.00 N ATOM 782 CZ ARG A 53 66.975 3.651 16.413 1.00 0.00 C ATOM 783 NH1 ARG A 53 67.703 4.560 15.811 1.00 0.00 N ATOM 784 NH2 ARG A 53 66.607 3.843 17.651 1.00 0.00 N ATOM 0 H ARG A 53 66.233 2.117 9.504 1.00 0.00 H new ATOM 0 HA ARG A 53 64.543 3.445 11.501 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.522 1.663 11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.532 3.092 11.765 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.333 4.160 13.611 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.088 2.927 13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 53 66.831 1.194 14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 53 68.039 2.461 14.253 1.00 0.00 H new ATOM 0 HE ARG A 53 66.033 1.846 16.284 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.995 4.421 14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.977 5.406 16.310 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.040 3.143 18.129 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.887 4.693 18.140 1.00 0.00 H new ATOM 798 N ASP A 54 67.044 4.887 9.890 1.00 0.00 N ATOM 799 CA ASP A 54 67.596 6.179 9.503 1.00 0.00 C ATOM 800 C ASP A 54 66.658 6.917 8.554 1.00 0.00 C ATOM 801 O ASP A 54 66.569 8.145 8.579 1.00 0.00 O ATOM 802 CB ASP A 54 68.945 5.994 8.810 1.00 0.00 C ATOM 803 CG ASP A 54 70.034 5.788 9.857 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.767 5.109 10.834 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.118 6.313 9.665 1.00 0.00 O ATOM 0 H ASP A 54 67.531 4.082 9.497 1.00 0.00 H new ATOM 0 HA ASP A 54 67.721 6.767 10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 54 68.906 5.137 8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.174 6.867 8.199 1.00 0.00 H new ATOM 810 N TYR A 55 65.970 6.160 7.706 1.00 0.00 N ATOM 811 CA TYR A 55 65.055 6.763 6.741 1.00 0.00 C ATOM 812 C TYR A 55 63.605 6.665 7.216 1.00 0.00 C ATOM 813 O TYR A 55 62.755 7.455 6.804 1.00 0.00 O ATOM 814 CB TYR A 55 65.191 6.080 5.378 1.00 0.00 C ATOM 815 CG TYR A 55 66.597 6.274 4.858 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.667 5.622 5.481 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.832 7.105 3.754 1.00 0.00 C ATOM 818 CE1 TYR A 55 68.971 5.797 5.002 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.137 7.281 3.276 1.00 0.00 C ATOM 820 CZ TYR A 55 69.205 6.627 3.899 1.00 0.00 C ATOM 821 OH TYR A 55 70.490 6.800 3.427 1.00 0.00 O ATOM 0 H TYR A 55 66.026 5.142 7.666 1.00 0.00 H new ATOM 0 HA TYR A 55 65.321 7.816 6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 55 64.968 5.017 5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.470 6.499 4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.487 4.983 6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.007 7.609 3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.796 5.292 5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.319 7.922 2.426 1.00 0.00 H new ATOM 0 HH TYR A 55 70.477 7.406 2.657 1.00 0.00 H new ATOM 831 N GLY A 56 63.324 5.698 8.089 1.00 0.00 N ATOM 832 CA GLY A 56 61.964 5.532 8.602 1.00 0.00 C ATOM 833 C GLY A 56 61.066 4.856 7.570 1.00 0.00 C ATOM 834 O GLY A 56 59.859 5.096 7.528 1.00 0.00 O ATOM 0 H GLY A 56 64.005 5.030 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 56 61.987 4.936 9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.551 6.505 8.867 1.00 0.00 H new ATOM 838 N VAL A 57 61.665 4.007 6.740 1.00 0.00 N ATOM 839 CA VAL A 57 60.905 3.298 5.711 1.00 0.00 C ATOM 840 C VAL A 57 59.861 2.392 6.357 1.00 0.00 C ATOM 841 O VAL A 57 60.092 1.821 7.423 1.00 0.00 O ATOM 842 CB VAL A 57 61.837 2.447 4.844 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.055 1.873 3.662 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.984 3.315 4.321 1.00 0.00 C ATOM 0 H VAL A 57 62.662 3.794 6.757 1.00 0.00 H new ATOM 0 HA VAL A 57 60.409 4.040 5.085 1.00 0.00 H new ATOM 0 HB VAL A 57 62.242 1.631 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.720 1.268 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.239 1.253 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.649 2.689 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.647 2.709 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.579 4.132 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.544 3.723 5.162 1.00 0.00 H new ATOM 854 N GLN A 58 58.709 2.266 5.704 1.00 0.00 N ATOM 855 CA GLN A 58 57.640 1.423 6.233 1.00 0.00 C ATOM 856 C GLN A 58 56.560 1.177 5.178 1.00 0.00 C ATOM 857 O GLN A 58 55.365 1.336 5.435 1.00 0.00 O ATOM 858 CB GLN A 58 57.007 2.075 7.464 1.00 0.00 C ATOM 859 CG GLN A 58 56.052 1.081 8.125 1.00 0.00 C ATOM 860 CD GLN A 58 55.916 1.413 9.607 1.00 0.00 C ATOM 861 OE1 GLN A 58 56.065 2.567 10.008 1.00 0.00 O ATOM 862 NE2 GLN A 58 55.636 0.460 10.454 1.00 0.00 N ATOM 0 H GLN A 58 58.493 2.729 4.821 1.00 0.00 H new ATOM 0 HA GLN A 58 58.080 0.466 6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 58 57.782 2.377 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 58 56.469 2.978 7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 58 55.076 1.122 7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 58 56.426 0.065 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 58 55.512 -0.497 10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 58 55.541 0.672 11.447 1.00 0.00 H new ATOM 871 N LEU A 59 56.993 0.779 3.987 1.00 0.00 N ATOM 872 CA LEU A 59 56.053 0.501 2.902 1.00 0.00 C ATOM 873 C LEU A 59 55.522 -0.922 3.015 1.00 0.00 C ATOM 874 O LEU A 59 54.321 -1.166 2.899 1.00 0.00 O ATOM 875 CB LEU A 59 56.733 0.661 1.541 1.00 0.00 C ATOM 876 CG LEU A 59 57.409 2.011 1.305 1.00 0.00 C ATOM 877 CD1 LEU A 59 57.918 2.075 -0.137 1.00 0.00 C ATOM 878 CD2 LEU A 59 56.403 3.147 1.550 1.00 0.00 C ATOM 0 H LEU A 59 57.975 0.642 3.748 1.00 0.00 H new ATOM 0 HA LEU A 59 55.231 1.212 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.480 -0.125 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.989 0.504 0.760 1.00 0.00 H new ATOM 0 HG LEU A 59 58.247 2.123 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.401 3.037 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.636 1.273 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.080 1.961 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.890 4.107 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.561 3.041 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.043 3.099 2.578 1.00 0.00 H new ATOM 890 N GLY A 60 56.437 -1.859 3.245 1.00 0.00 N ATOM 891 CA GLY A 60 56.062 -3.261 3.374 1.00 0.00 C ATOM 892 C GLY A 60 57.214 -4.076 3.951 1.00 0.00 C ATOM 893 O GLY A 60 58.336 -4.037 3.448 1.00 0.00 O ATOM 0 H GLY A 60 57.435 -1.674 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.188 -3.351 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.781 -3.659 2.399 1.00 0.00 H new ATOM 897 N ASP A 61 56.920 -4.813 5.017 1.00 0.00 N ATOM 898 CA ASP A 61 57.934 -5.639 5.670 1.00 0.00 C ATOM 899 C ASP A 61 58.517 -6.662 4.695 1.00 0.00 C ATOM 900 O ASP A 61 59.666 -7.083 4.831 1.00 0.00 O ATOM 901 CB ASP A 61 57.330 -6.381 6.864 1.00 0.00 C ATOM 902 CG ASP A 61 56.652 -5.383 7.795 1.00 0.00 C ATOM 903 OD1 ASP A 61 57.356 -4.579 8.383 1.00 0.00 O ATOM 904 OD2 ASP A 61 55.438 -5.437 7.906 1.00 0.00 O ATOM 0 H ASP A 61 55.996 -4.857 5.446 1.00 0.00 H new ATOM 0 HA ASP A 61 58.729 -4.977 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.607 -7.120 6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 61 58.109 -6.923 7.400 1.00 0.00 H new ATOM 909 N ASP A 62 57.717 -7.057 3.707 1.00 0.00 N ATOM 910 CA ASP A 62 58.173 -8.034 2.724 1.00 0.00 C ATOM 911 C ASP A 62 59.072 -7.397 1.661 1.00 0.00 C ATOM 912 O ASP A 62 59.555 -8.083 0.761 1.00 0.00 O ATOM 913 CB ASP A 62 56.982 -8.695 2.030 1.00 0.00 C ATOM 914 CG ASP A 62 56.069 -7.622 1.447 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.503 -6.933 0.538 1.00 0.00 O ATOM 916 OD2 ASP A 62 54.950 -7.505 1.919 1.00 0.00 O ATOM 0 H ASP A 62 56.764 -6.721 3.567 1.00 0.00 H new ATOM 0 HA ASP A 62 58.750 -8.782 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.332 -9.358 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.430 -9.310 2.741 1.00 0.00 H new ATOM 921 N ALA A 63 59.315 -6.087 1.773 1.00 0.00 N ATOM 922 CA ALA A 63 60.180 -5.402 0.815 1.00 0.00 C ATOM 923 C ALA A 63 61.562 -6.043 0.809 1.00 0.00 C ATOM 924 O ALA A 63 62.236 -6.098 -0.220 1.00 0.00 O ATOM 925 CB ALA A 63 60.324 -3.930 1.192 1.00 0.00 C ATOM 0 H ALA A 63 58.931 -5.490 2.506 1.00 0.00 H new ATOM 0 HA ALA A 63 59.729 -5.484 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.971 -3.431 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.343 -3.456 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.762 -3.850 2.187 1.00 0.00 H new ATOM 931 N VAL A 64 61.968 -6.536 1.975 1.00 0.00 N ATOM 932 CA VAL A 64 63.269 -7.185 2.101 1.00 0.00 C ATOM 933 C VAL A 64 63.271 -8.522 1.362 1.00 0.00 C ATOM 934 O VAL A 64 64.315 -8.993 0.910 1.00 0.00 O ATOM 935 CB VAL A 64 63.618 -7.423 3.573 1.00 0.00 C ATOM 936 CG1 VAL A 64 63.844 -6.078 4.268 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.472 -8.172 4.263 1.00 0.00 C ATOM 0 H VAL A 64 61.423 -6.500 2.836 1.00 0.00 H new ATOM 0 HA VAL A 64 64.016 -6.525 1.660 1.00 0.00 H new ATOM 0 HB VAL A 64 64.527 -8.022 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.092 -6.247 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.664 -5.550 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 64 62.937 -5.478 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.725 -8.339 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 64 61.560 -7.579 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.316 -9.131 3.770 1.00 0.00 H new ATOM 947 N GLU A 65 62.090 -9.129 1.238 1.00 0.00 N ATOM 948 CA GLU A 65 61.977 -10.409 0.549 1.00 0.00 C ATOM 949 C GLU A 65 62.185 -10.221 -0.950 1.00 0.00 C ATOM 950 O GLU A 65 62.964 -10.938 -1.579 1.00 0.00 O ATOM 951 CB GLU A 65 60.597 -11.026 0.787 1.00 0.00 C ATOM 952 CG GLU A 65 60.656 -12.530 0.511 1.00 0.00 C ATOM 953 CD GLU A 65 60.255 -12.800 -0.936 1.00 0.00 C ATOM 954 OE1 GLU A 65 59.077 -12.686 -1.233 1.00 0.00 O ATOM 955 OE2 GLU A 65 61.131 -13.115 -1.723 1.00 0.00 O ATOM 0 H GLU A 65 61.211 -8.759 1.601 1.00 0.00 H new ATOM 0 HA GLU A 65 62.744 -11.075 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.279 -10.846 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.859 -10.555 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.663 -12.905 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 65 59.988 -13.061 1.189 1.00 0.00 H new ATOM 962 N LYS A 66 61.476 -9.247 -1.514 1.00 0.00 N ATOM 963 CA LYS A 66 61.583 -8.965 -2.941 1.00 0.00 C ATOM 964 C LYS A 66 62.922 -8.306 -3.265 1.00 0.00 C ATOM 965 O LYS A 66 63.452 -8.457 -4.366 1.00 0.00 O ATOM 966 CB LYS A 66 60.450 -8.038 -3.388 1.00 0.00 C ATOM 967 CG LYS A 66 59.105 -8.645 -2.987 1.00 0.00 C ATOM 968 CD LYS A 66 58.023 -7.564 -3.037 1.00 0.00 C ATOM 969 CE LYS A 66 57.387 -7.541 -4.427 1.00 0.00 C ATOM 970 NZ LYS A 66 56.040 -6.908 -4.347 1.00 0.00 N ATOM 0 H LYS A 66 60.826 -8.644 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 66 61.512 -9.913 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.568 -7.056 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.488 -7.894 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 66 58.848 -9.463 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 59.168 -9.065 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.263 -7.761 -2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.456 -6.590 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 66 58.021 -6.987 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 66 57.301 -8.556 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 55.607 -6.892 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 55.437 -7.455 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 56.134 -5.935 -3.993 1.00 0.00 H new ATOM 984 N ALA A 67 63.463 -7.567 -2.295 1.00 0.00 N ATOM 985 CA ALA A 67 64.741 -6.881 -2.493 1.00 0.00 C ATOM 986 C ALA A 67 65.841 -7.869 -2.872 1.00 0.00 C ATOM 987 O ALA A 67 66.490 -8.462 -2.010 1.00 0.00 O ATOM 988 CB ALA A 67 65.161 -6.146 -1.220 1.00 0.00 C ATOM 0 H ALA A 67 63.043 -7.429 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 67 64.603 -6.166 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.113 -5.643 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.402 -5.409 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.268 -6.862 -0.405 1.00 0.00 H new ATOM 994 N THR A 68 66.052 -8.026 -4.175 1.00 0.00 N ATOM 995 CA THR A 68 67.088 -8.930 -4.670 1.00 0.00 C ATOM 996 C THR A 68 68.318 -8.130 -5.098 1.00 0.00 C ATOM 997 O THR A 68 69.447 -8.612 -5.023 1.00 0.00 O ATOM 998 CB THR A 68 66.574 -9.745 -5.860 1.00 0.00 C ATOM 999 OG1 THR A 68 67.619 -10.571 -6.352 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.103 -8.802 -6.971 1.00 0.00 C ATOM 0 H THR A 68 65.525 -7.544 -4.903 1.00 0.00 H new ATOM 0 HA THR A 68 67.357 -9.614 -3.865 1.00 0.00 H new ATOM 0 HB THR A 68 65.738 -10.365 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.291 -11.095 -7.113 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.738 -9.388 -7.815 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.300 -8.169 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 68 66.935 -8.177 -7.295 1.00 0.00 H new ATOM 1008 N THR A 69 68.080 -6.896 -5.540 1.00 0.00 N ATOM 1009 CA THR A 69 69.165 -6.018 -5.972 1.00 0.00 C ATOM 1010 C THR A 69 69.252 -4.824 -5.015 1.00 0.00 C ATOM 1011 O THR A 69 68.332 -4.596 -4.230 1.00 0.00 O ATOM 1012 CB THR A 69 68.916 -5.508 -7.408 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.678 -6.013 -7.893 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.044 -5.970 -8.334 1.00 0.00 C ATOM 0 H THR A 69 67.150 -6.483 -5.608 1.00 0.00 H new ATOM 0 HA THR A 69 70.100 -6.579 -5.961 1.00 0.00 H new ATOM 0 HB THR A 69 68.885 -4.419 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.525 -5.685 -8.804 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.858 -5.605 -9.344 1.00 0.00 H new ATOM 0 HG22 THR A 69 70.994 -5.575 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 69 70.084 -7.059 -8.344 1.00 0.00 H new ATOM 1022 N PRO A 70 70.334 -4.032 -5.068 1.00 0.00 N ATOM 1023 CA PRO A 70 70.462 -2.866 -4.179 1.00 0.00 C ATOM 1024 C PRO A 70 69.486 -1.767 -4.572 1.00 0.00 C ATOM 1025 O PRO A 70 69.005 -1.012 -3.730 1.00 0.00 O ATOM 1026 CB PRO A 70 71.914 -2.447 -4.374 1.00 0.00 C ATOM 1027 CG PRO A 70 72.350 -2.999 -5.721 1.00 0.00 C ATOM 1028 CD PRO A 70 71.468 -4.217 -6.004 1.00 0.00 C ATOM 0 HA PRO A 70 70.226 -3.082 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.010 -1.361 -4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.541 -2.840 -3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.235 -2.248 -6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.403 -3.280 -5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.135 -4.242 -7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 70 71.998 -5.151 -5.817 1.00 0.00 H new ATOM 1036 N ARG A 71 69.171 -1.712 -5.864 1.00 0.00 N ATOM 1037 CA ARG A 71 68.219 -0.730 -6.357 1.00 0.00 C ATOM 1038 C ARG A 71 66.843 -0.986 -5.743 1.00 0.00 C ATOM 1039 O ARG A 71 66.042 -0.066 -5.575 1.00 0.00 O ATOM 1040 CB ARG A 71 68.106 -0.808 -7.881 1.00 0.00 C ATOM 1041 CG ARG A 71 69.451 -0.441 -8.510 1.00 0.00 C ATOM 1042 CD ARG A 71 69.659 1.074 -8.436 1.00 0.00 C ATOM 1043 NE ARG A 71 70.295 1.563 -9.659 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.548 2.864 -9.861 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.235 3.766 -8.960 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.116 3.241 -10.975 1.00 0.00 N ATOM 0 H ARG A 71 69.558 -2.329 -6.578 1.00 0.00 H new ATOM 0 HA ARG A 71 68.573 0.261 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.813 -1.813 -8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.330 -0.129 -8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.259 -0.955 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.480 -0.772 -9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.700 1.572 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.278 1.321 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 71 70.555 0.892 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.791 3.482 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.436 4.751 -9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.363 2.548 -11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.313 4.228 -11.138 1.00 0.00 H new ATOM 1060 N ALA A 72 66.580 -2.252 -5.398 1.00 0.00 N ATOM 1061 CA ALA A 72 65.302 -2.614 -4.793 1.00 0.00 C ATOM 1062 C ALA A 72 65.157 -1.920 -3.447 1.00 0.00 C ATOM 1063 O ALA A 72 64.215 -1.161 -3.216 1.00 0.00 O ATOM 1064 CB ALA A 72 65.214 -4.125 -4.592 1.00 0.00 C ATOM 0 H ALA A 72 67.227 -3.030 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 72 64.501 -2.297 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.255 -4.377 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.304 -4.626 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.021 -4.452 -3.936 1.00 0.00 H new ATOM 1070 N LEU A 73 66.116 -2.182 -2.561 1.00 0.00 N ATOM 1071 CA LEU A 73 66.113 -1.573 -1.227 1.00 0.00 C ATOM 1072 C LEU A 73 66.053 -0.051 -1.338 1.00 0.00 C ATOM 1073 O LEU A 73 65.314 0.613 -0.612 1.00 0.00 O ATOM 1074 CB LEU A 73 67.377 -1.956 -0.456 1.00 0.00 C ATOM 1075 CG LEU A 73 67.659 -3.456 -0.378 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.034 -3.684 0.253 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.586 -4.129 0.481 1.00 0.00 C ATOM 0 H LEU A 73 66.902 -2.808 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 73 65.235 -1.941 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.231 -1.465 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.298 -1.564 0.558 1.00 0.00 H new ATOM 0 HG LEU A 73 67.645 -3.883 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.236 -4.754 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.798 -3.202 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.049 -3.259 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.784 -5.199 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.602 -3.702 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.606 -3.965 0.033 1.00 0.00 H new ATOM 1089 N ILE A 74 66.836 0.487 -2.264 1.00 0.00 N ATOM 1090 CA ILE A 74 66.860 1.930 -2.477 1.00 0.00 C ATOM 1091 C ILE A 74 65.509 2.391 -3.019 1.00 0.00 C ATOM 1092 O ILE A 74 65.038 3.484 -2.709 1.00 0.00 O ATOM 1093 CB ILE A 74 67.965 2.313 -3.475 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.318 1.826 -2.947 1.00 0.00 C ATOM 1095 CG2 ILE A 74 68.011 3.835 -3.650 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.331 1.786 -4.095 1.00 0.00 C ATOM 0 H ILE A 74 67.456 -0.046 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 74 67.063 2.417 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 74 67.752 1.847 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.673 2.490 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.213 0.835 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.797 4.096 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 74 67.051 4.187 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.218 4.306 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.294 1.439 -3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.977 1.105 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.444 2.785 -4.515 1.00 0.00 H new ATOM 1108 N GLU A 75 64.896 1.544 -3.840 1.00 0.00 N ATOM 1109 CA GLU A 75 63.604 1.874 -4.430 1.00 0.00 C ATOM 1110 C GLU A 75 62.506 1.883 -3.375 1.00 0.00 C ATOM 1111 O GLU A 75 61.719 2.825 -3.292 1.00 0.00 O ATOM 1112 CB GLU A 75 63.242 0.870 -5.525 1.00 0.00 C ATOM 1113 CG GLU A 75 63.804 1.349 -6.865 1.00 0.00 C ATOM 1114 CD GLU A 75 62.812 2.303 -7.521 1.00 0.00 C ATOM 1115 OE1 GLU A 75 62.309 3.172 -6.827 1.00 0.00 O ATOM 1116 OE2 GLU A 75 62.569 2.152 -8.707 1.00 0.00 O ATOM 0 H GLU A 75 65.268 0.633 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 75 63.686 2.871 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.646 -0.112 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.159 0.762 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.760 1.850 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.992 0.497 -7.518 1.00 0.00 H new ATOM 1123 N MET A 76 62.457 0.827 -2.567 1.00 0.00 N ATOM 1124 CA MET A 76 61.443 0.742 -1.522 1.00 0.00 C ATOM 1125 C MET A 76 61.606 1.899 -0.542 1.00 0.00 C ATOM 1126 O MET A 76 60.630 2.429 -0.011 1.00 0.00 O ATOM 1127 CB MET A 76 61.555 -0.585 -0.768 1.00 0.00 C ATOM 1128 CG MET A 76 62.968 -0.750 -0.211 1.00 0.00 C ATOM 1129 SD MET A 76 63.046 -2.247 0.803 1.00 0.00 S ATOM 1130 CE MET A 76 63.886 -1.512 2.228 1.00 0.00 C ATOM 0 H MET A 76 63.095 0.032 -2.614 1.00 0.00 H new ATOM 0 HA MET A 76 60.461 0.798 -1.992 1.00 0.00 H new ATOM 0 HB2 MET A 76 60.829 -0.614 0.045 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.319 -1.414 -1.436 1.00 0.00 H new ATOM 0 HG2 MET A 76 63.687 -0.813 -1.028 1.00 0.00 H new ATOM 0 HG3 MET A 76 63.239 0.121 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 76 63.866 -2.212 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 76 64.920 -1.290 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 76 63.378 -0.591 2.514 1.00 0.00 H new ATOM 1140 N THR A 77 62.856 2.297 -0.324 1.00 0.00 N ATOM 1141 CA THR A 77 63.138 3.403 0.576 1.00 0.00 C ATOM 1142 C THR A 77 62.682 4.712 -0.056 1.00 0.00 C ATOM 1143 O THR A 77 61.850 5.428 0.498 1.00 0.00 O ATOM 1144 CB THR A 77 64.639 3.484 0.874 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.096 2.220 1.334 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.897 4.543 1.948 1.00 0.00 C ATOM 0 H THR A 77 63.679 1.874 -0.754 1.00 0.00 H new ATOM 0 HA THR A 77 62.598 3.235 1.508 1.00 0.00 H new ATOM 0 HB THR A 77 65.174 3.758 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.547 1.749 0.602 1.00 0.00 H new ATOM 0 HG21 THR A 77 65.966 4.597 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.547 5.513 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.363 4.275 2.859 1.00 0.00 H new ATOM 1154 N ASN A 78 63.229 5.011 -1.236 1.00 0.00 N ATOM 1155 CA ASN A 78 62.875 6.241 -1.949 1.00 0.00 C ATOM 1156 C ASN A 78 61.368 6.344 -2.128 1.00 0.00 C ATOM 1157 O ASN A 78 60.789 7.423 -2.028 1.00 0.00 O ATOM 1158 CB ASN A 78 63.544 6.275 -3.322 1.00 0.00 C ATOM 1159 CG ASN A 78 64.986 6.736 -3.167 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.327 7.864 -3.509 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.864 5.926 -2.657 1.00 0.00 N ATOM 0 H ASN A 78 63.913 4.425 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 78 63.225 7.084 -1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.513 5.286 -3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.004 6.950 -3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.831 6.229 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.586 4.987 -2.371 1.00 0.00 H new ATOM 1168 N ALA A 79 60.742 5.199 -2.370 1.00 0.00 N ATOM 1169 CA ALA A 79 59.298 5.150 -2.539 1.00 0.00 C ATOM 1170 C ALA A 79 58.620 5.565 -1.242 1.00 0.00 C ATOM 1171 O ALA A 79 57.565 6.200 -1.243 1.00 0.00 O ATOM 1172 CB ALA A 79 58.848 3.735 -2.901 1.00 0.00 C ATOM 0 H ALA A 79 61.210 4.297 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 79 59.020 5.831 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.765 3.718 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.323 3.429 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.134 3.047 -2.105 1.00 0.00 H new ATOM 1178 N SER A 80 59.252 5.199 -0.131 1.00 0.00 N ATOM 1179 CA SER A 80 58.725 5.534 1.177 1.00 0.00 C ATOM 1180 C SER A 80 58.992 7.003 1.482 1.00 0.00 C ATOM 1181 O SER A 80 58.112 7.725 1.952 1.00 0.00 O ATOM 1182 CB SER A 80 59.362 4.641 2.249 1.00 0.00 C ATOM 1183 OG SER A 80 60.603 5.195 2.671 1.00 0.00 O ATOM 0 H SER A 80 60.126 4.673 -0.115 1.00 0.00 H new ATOM 0 HA SER A 80 57.648 5.364 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.689 4.545 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.519 3.638 1.852 1.00 0.00 H new ATOM 0 HG SER A 80 61.286 5.025 1.989 1.00 0.00 H new ATOM 1189 N LEU A 81 60.216 7.442 1.199 1.00 0.00 N ATOM 1190 CA LEU A 81 60.580 8.831 1.436 1.00 0.00 C ATOM 1191 C LEU A 81 59.758 9.750 0.539 1.00 0.00 C ATOM 1192 O LEU A 81 59.145 10.707 1.009 1.00 0.00 O ATOM 1193 CB LEU A 81 62.072 9.061 1.154 1.00 0.00 C ATOM 1194 CG LEU A 81 63.057 8.576 2.234 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.528 8.897 3.634 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.262 7.068 2.108 1.00 0.00 C ATOM 0 H LEU A 81 60.961 6.863 0.811 1.00 0.00 H new ATOM 0 HA LEU A 81 60.376 9.057 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.323 8.565 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.230 10.129 1.002 1.00 0.00 H new ATOM 0 HG LEU A 81 64.006 9.092 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.240 8.546 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 81 62.398 9.974 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.570 8.400 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.960 6.730 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.307 6.559 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.666 6.837 1.122 1.00 0.00 H new ATOM 1208 N THR A 82 59.750 9.451 -0.760 1.00 0.00 N ATOM 1209 CA THR A 82 58.992 10.271 -1.707 1.00 0.00 C ATOM 1210 C THR A 82 57.504 10.275 -1.348 1.00 0.00 C ATOM 1211 O THR A 82 56.797 11.254 -1.586 1.00 0.00 O ATOM 1212 CB THR A 82 59.174 9.758 -3.147 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.521 10.645 -4.045 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.576 8.353 -3.299 1.00 0.00 C ATOM 0 H THR A 82 60.249 8.664 -1.175 1.00 0.00 H new ATOM 0 HA THR A 82 59.376 11.289 -1.645 1.00 0.00 H new ATOM 0 HB THR A 82 60.239 9.712 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.635 10.323 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.714 8.008 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.077 7.668 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.511 8.384 -3.067 1.00 0.00 H new ATOM 1222 N GLY A 83 57.041 9.165 -0.777 1.00 0.00 N ATOM 1223 CA GLY A 83 55.636 9.048 -0.392 1.00 0.00 C ATOM 1224 C GLY A 83 55.370 9.760 0.930 1.00 0.00 C ATOM 1225 O GLY A 83 54.566 10.689 0.999 1.00 0.00 O ATOM 0 H GLY A 83 57.610 8.343 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.005 9.474 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.366 7.996 -0.303 1.00 0.00 H new