USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 GLN : amide:sc=-0.000885 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 8 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.6) USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.242 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 24 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.48) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00694 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= -2.17 (180deg=-2.24) USER MOD Single : A 47 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.53) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 27.385 -4.623 -3.675 1.00 9.76 N ATOM 2 CA TYR A 1 26.077 -4.175 -4.234 1.00 9.14 C ATOM 3 C TYR A 1 25.124 -3.827 -3.087 1.00 8.63 C ATOM 4 O TYR A 1 24.524 -4.697 -2.488 1.00 9.26 O ATOM 5 CB TYR A 1 25.453 -5.278 -5.090 1.00 10.06 C ATOM 6 CG TYR A 1 24.352 -4.676 -5.966 1.00 9.70 C ATOM 7 CD1 TYR A 1 23.108 -4.399 -5.437 1.00 9.31 C ATOM 8 CD2 TYR A 1 24.588 -4.402 -7.297 1.00 10.06 C ATOM 9 CE1 TYR A 1 22.115 -3.857 -6.227 1.00 9.39 C ATOM 10 CE2 TYR A 1 23.596 -3.859 -8.088 1.00 10.00 C ATOM 11 CZ TYR A 1 22.351 -3.582 -7.559 1.00 9.71 C ATOM 12 OH TYR A 1 21.359 -3.040 -8.350 1.00 10.05 O ATOM 0 H1 TYR A 1 28.033 -4.859 -4.454 1.00 9.76 H new ATOM 0 H2 TYR A 1 27.797 -3.860 -3.102 1.00 9.76 H new ATOM 0 H3 TYR A 1 27.239 -5.463 -3.079 1.00 9.76 H new ATOM 0 HA TYR A 1 26.246 -3.297 -4.857 1.00 9.14 H new ATOM 0 HB2 TYR A 1 26.215 -5.745 -5.714 1.00 10.06 H new ATOM 0 HB3 TYR A 1 25.040 -6.059 -4.452 1.00 10.06 H new ATOM 0 HD1 TYR A 1 22.910 -4.608 -4.396 1.00 9.31 H new ATOM 0 HD2 TYR A 1 25.557 -4.614 -7.724 1.00 10.06 H new ATOM 0 HE1 TYR A 1 21.146 -3.646 -5.800 1.00 9.39 H new ATOM 0 HE2 TYR A 1 23.795 -3.649 -9.129 1.00 10.00 H new ATOM 0 HH TYR A 1 21.700 -2.911 -9.260 1.00 10.05 H new ATOM 24 N ALA A 2 25.005 -2.557 -2.807 1.00 7.60 N ATOM 25 CA ALA A 2 24.096 -2.133 -1.702 1.00 7.22 C ATOM 26 C ALA A 2 23.711 -0.659 -1.868 1.00 5.76 C ATOM 27 O ALA A 2 24.318 0.060 -2.636 1.00 5.04 O ATOM 28 CB ALA A 2 24.811 -2.326 -0.366 1.00 8.17 C ATOM 0 H ALA A 2 25.492 -1.802 -3.289 1.00 7.60 H new ATOM 0 HA ALA A 2 23.190 -2.738 -1.730 1.00 7.22 H new ATOM 0 HB1 ALA A 2 24.153 -2.018 0.447 1.00 8.17 H new ATOM 0 HB2 ALA A 2 25.073 -3.377 -0.242 1.00 8.17 H new ATOM 0 HB3 ALA A 2 25.717 -1.721 -0.348 1.00 8.17 H new ATOM 34 N SER A 3 22.710 -0.243 -1.141 1.00 5.52 N ATOM 35 CA SER A 3 22.271 1.180 -1.243 1.00 4.26 C ATOM 36 C SER A 3 21.464 1.573 -0.002 1.00 4.84 C ATOM 37 O SER A 3 21.987 1.614 1.095 1.00 5.78 O ATOM 38 CB SER A 3 21.404 1.348 -2.489 1.00 3.34 C ATOM 39 OG SER A 3 21.057 2.725 -2.488 1.00 2.11 O ATOM 0 H SER A 3 22.181 -0.819 -0.487 1.00 5.52 H new ATOM 0 HA SER A 3 23.148 1.823 -1.312 1.00 4.26 H new ATOM 0 HB2 SER A 3 21.948 1.075 -3.393 1.00 3.34 H new ATOM 0 HB3 SER A 3 20.518 0.714 -2.447 1.00 3.34 H new ATOM 0 HG SER A 3 20.495 2.921 -3.266 1.00 2.11 H new ATOM 45 N LEU A 4 20.203 1.855 -0.205 1.00 4.58 N ATOM 46 CA LEU A 4 19.335 2.246 0.948 1.00 5.36 C ATOM 47 C LEU A 4 17.976 1.543 0.845 1.00 5.57 C ATOM 48 O LEU A 4 17.106 1.745 1.668 1.00 6.13 O ATOM 49 CB LEU A 4 19.128 3.763 0.925 1.00 5.12 C ATOM 50 CG LEU A 4 19.693 4.370 2.216 1.00 6.46 C ATOM 51 CD1 LEU A 4 19.565 5.894 2.151 1.00 6.71 C ATOM 52 CD2 LEU A 4 18.903 3.850 3.423 1.00 8.01 C ATOM 0 H LEU A 4 19.738 1.832 -1.113 1.00 4.58 H new ATOM 0 HA LEU A 4 19.817 1.950 1.880 1.00 5.36 H new ATOM 0 HB2 LEU A 4 19.625 4.197 0.057 1.00 5.12 H new ATOM 0 HB3 LEU A 4 18.067 3.996 0.834 1.00 5.12 H new ATOM 0 HG LEU A 4 20.741 4.087 2.321 1.00 6.46 H new ATOM 0 HD11 LEU A 4 19.965 6.332 3.066 1.00 6.71 H new ATOM 0 HD12 LEU A 4 20.124 6.270 1.294 1.00 6.71 H new ATOM 0 HD13 LEU A 4 18.515 6.167 2.047 1.00 6.71 H new ATOM 0 HD21 LEU A 4 19.308 4.284 4.337 1.00 8.01 H new ATOM 0 HD22 LEU A 4 17.855 4.132 3.321 1.00 8.01 H new ATOM 0 HD23 LEU A 4 18.984 2.764 3.470 1.00 8.01 H new ATOM 64 N GLU A 5 17.829 0.729 -0.167 1.00 5.40 N ATOM 65 CA GLU A 5 16.537 0.000 -0.344 1.00 5.99 C ATOM 66 C GLU A 5 16.666 -1.436 0.177 1.00 7.22 C ATOM 67 O GLU A 5 15.994 -1.822 1.112 1.00 7.89 O ATOM 68 CB GLU A 5 16.180 -0.026 -1.829 1.00 5.70 C ATOM 69 CG GLU A 5 15.813 1.390 -2.278 1.00 4.80 C ATOM 70 CD GLU A 5 16.515 1.698 -3.602 1.00 4.25 C ATOM 71 OE1 GLU A 5 17.692 2.008 -3.532 1.00 3.46 O ATOM 72 OE2 GLU A 5 15.833 1.606 -4.611 1.00 5.03 O ATOM 0 H GLU A 5 18.540 0.538 -0.873 1.00 5.40 H new ATOM 0 HA GLU A 5 15.754 0.510 0.218 1.00 5.99 H new ATOM 0 HB2 GLU A 5 17.022 -0.400 -2.412 1.00 5.70 H new ATOM 0 HB3 GLU A 5 15.345 -0.705 -2.004 1.00 5.70 H new ATOM 0 HG2 GLU A 5 14.733 1.478 -2.397 1.00 4.80 H new ATOM 0 HG3 GLU A 5 16.110 2.113 -1.519 1.00 4.80 H new ATOM 79 N GLU A 6 17.530 -2.195 -0.440 1.00 7.74 N ATOM 80 CA GLU A 6 17.717 -3.606 0.007 1.00 9.15 C ATOM 81 C GLU A 6 18.523 -3.641 1.310 1.00 9.81 C ATOM 82 O GLU A 6 19.342 -4.516 1.512 1.00 10.91 O ATOM 83 CB GLU A 6 18.464 -4.381 -1.076 1.00 9.80 C ATOM 84 CG GLU A 6 18.146 -5.871 -0.935 1.00 11.12 C ATOM 85 CD GLU A 6 18.933 -6.659 -1.985 1.00 11.90 C ATOM 86 OE1 GLU A 6 20.139 -6.481 -2.003 1.00 11.89 O ATOM 87 OE2 GLU A 6 18.283 -7.393 -2.710 1.00 12.59 O ATOM 0 H GLU A 6 18.110 -1.904 -1.227 1.00 7.74 H new ATOM 0 HA GLU A 6 16.742 -4.061 0.181 1.00 9.15 H new ATOM 0 HB2 GLU A 6 18.170 -4.026 -2.063 1.00 9.80 H new ATOM 0 HB3 GLU A 6 19.537 -4.215 -0.984 1.00 9.80 H new ATOM 0 HG2 GLU A 6 18.406 -6.217 0.066 1.00 11.12 H new ATOM 0 HG3 GLU A 6 17.077 -6.040 -1.063 1.00 11.12 H new ATOM 94 N GLN A 7 18.272 -2.688 2.164 1.00 9.38 N ATOM 95 CA GLN A 7 19.015 -2.649 3.458 1.00 10.42 C ATOM 96 C GLN A 7 18.417 -3.668 4.439 1.00 11.51 C ATOM 97 O GLN A 7 18.260 -4.827 4.110 1.00 12.30 O ATOM 98 CB GLN A 7 18.919 -1.237 4.043 1.00 9.84 C ATOM 99 CG GLN A 7 20.032 -1.041 5.076 1.00 10.62 C ATOM 100 CD GLN A 7 19.694 0.159 5.964 1.00 10.34 C ATOM 101 OE1 GLN A 7 19.281 1.199 5.490 1.00 9.28 O ATOM 102 NE2 GLN A 7 19.857 0.058 7.255 1.00 11.40 N ATOM 0 H GLN A 7 17.592 -1.941 2.026 1.00 9.38 H new ATOM 0 HA GLN A 7 20.061 -2.905 3.289 1.00 10.42 H new ATOM 0 HB2 GLN A 7 19.009 -0.495 3.249 1.00 9.84 H new ATOM 0 HB3 GLN A 7 17.945 -1.089 4.509 1.00 9.84 H new ATOM 0 HG2 GLN A 7 20.141 -1.939 5.684 1.00 10.62 H new ATOM 0 HG3 GLN A 7 20.986 -0.879 4.573 1.00 10.62 H new ATOM 0 HE21 GLN A 7 20.203 -0.812 7.659 1.00 11.40 H new ATOM 0 HE22 GLN A 7 19.638 0.849 7.860 1.00 11.40 H new ATOM 111 N ASN A 8 18.097 -3.218 5.621 1.00 11.62 N ATOM 112 CA ASN A 8 17.510 -4.151 6.627 1.00 12.67 C ATOM 113 C ASN A 8 16.259 -4.832 6.057 1.00 12.50 C ATOM 114 O ASN A 8 16.354 -5.700 5.213 1.00 12.90 O ATOM 115 CB ASN A 8 17.137 -3.362 7.882 1.00 12.72 C ATOM 116 CG ASN A 8 18.397 -2.722 8.472 1.00 13.13 C ATOM 117 OD1 ASN A 8 18.344 -1.678 9.090 1.00 12.84 O ATOM 118 ND2 ASN A 8 19.548 -3.317 8.308 1.00 13.95 N ATOM 0 H ASN A 8 18.215 -2.254 5.933 1.00 11.62 H new ATOM 0 HA ASN A 8 18.243 -4.919 6.874 1.00 12.67 H new ATOM 0 HB2 ASN A 8 16.405 -2.592 7.637 1.00 12.72 H new ATOM 0 HB3 ASN A 8 16.673 -4.022 8.615 1.00 12.72 H new ATOM 0 HD21 ASN A 8 20.395 -2.905 8.698 1.00 13.95 H new ATOM 0 HD22 ASN A 8 19.599 -4.194 7.790 1.00 13.95 H new ATOM 125 N ASN A 9 15.114 -4.422 6.531 1.00 12.02 N ATOM 126 CA ASN A 9 13.851 -5.039 6.028 1.00 11.90 C ATOM 127 C ASN A 9 13.254 -4.189 4.900 1.00 10.60 C ATOM 128 O ASN A 9 13.847 -3.218 4.471 1.00 9.69 O ATOM 129 CB ASN A 9 12.849 -5.132 7.179 1.00 12.35 C ATOM 130 CG ASN A 9 12.333 -6.569 7.284 1.00 13.56 C ATOM 131 OD1 ASN A 9 13.090 -7.500 7.471 1.00 14.63 O ATOM 132 ND2 ASN A 9 11.052 -6.792 7.169 1.00 13.53 N ATOM 0 H ASN A 9 14.997 -3.695 7.237 1.00 12.02 H new ATOM 0 HA ASN A 9 14.069 -6.034 5.639 1.00 11.90 H new ATOM 0 HB2 ASN A 9 13.323 -4.834 8.114 1.00 12.35 H new ATOM 0 HB3 ASN A 9 12.019 -4.446 7.010 1.00 12.35 H new ATOM 0 HD21 ASN A 9 10.692 -7.744 7.236 1.00 13.53 H new ATOM 0 HD22 ASN A 9 10.411 -6.014 7.012 1.00 13.53 H new ATOM 139 N ASP A 10 12.092 -4.574 4.444 1.00 10.67 N ATOM 140 CA ASP A 10 11.442 -3.800 3.345 1.00 9.52 C ATOM 141 C ASP A 10 10.550 -2.698 3.927 1.00 8.55 C ATOM 142 O ASP A 10 10.860 -2.121 4.949 1.00 8.53 O ATOM 143 CB ASP A 10 10.593 -4.751 2.501 1.00 10.15 C ATOM 144 CG ASP A 10 10.389 -4.147 1.110 1.00 9.41 C ATOM 145 OD1 ASP A 10 11.396 -3.971 0.444 1.00 9.55 O ATOM 146 OD2 ASP A 10 9.239 -3.895 0.793 1.00 8.91 O ATOM 0 H ASP A 10 11.569 -5.382 4.780 1.00 10.67 H new ATOM 0 HA ASP A 10 12.212 -3.338 2.727 1.00 9.52 H new ATOM 0 HB2 ASP A 10 11.084 -5.721 2.421 1.00 10.15 H new ATOM 0 HB3 ASP A 10 9.629 -4.920 2.981 1.00 10.15 H new ATOM 151 N ALA A 11 9.460 -2.430 3.260 1.00 7.87 N ATOM 152 CA ALA A 11 8.538 -1.369 3.761 1.00 6.99 C ATOM 153 C ALA A 11 7.307 -1.258 2.853 1.00 5.76 C ATOM 154 O ALA A 11 6.273 -1.833 3.131 1.00 5.39 O ATOM 155 CB ALA A 11 9.279 -0.033 3.779 1.00 6.70 C ATOM 0 H ALA A 11 9.170 -2.894 2.399 1.00 7.87 H new ATOM 0 HA ALA A 11 8.208 -1.628 4.767 1.00 6.99 H new ATOM 0 HB1 ALA A 11 8.612 0.748 4.144 1.00 6.70 H new ATOM 0 HB2 ALA A 11 10.146 -0.106 4.436 1.00 6.70 H new ATOM 0 HB3 ALA A 11 9.609 0.214 2.770 1.00 6.70 H new ATOM 161 N LEU A 12 7.447 -0.518 1.787 1.00 5.33 N ATOM 162 CA LEU A 12 6.295 -0.356 0.851 1.00 4.15 C ATOM 163 C LEU A 12 6.092 -1.632 0.026 1.00 4.00 C ATOM 164 O LEU A 12 6.631 -2.673 0.346 1.00 5.07 O ATOM 165 CB LEU A 12 6.575 0.820 -0.084 1.00 4.29 C ATOM 166 CG LEU A 12 6.518 2.122 0.716 1.00 4.62 C ATOM 167 CD1 LEU A 12 7.512 3.122 0.121 1.00 5.81 C ATOM 168 CD2 LEU A 12 5.106 2.705 0.630 1.00 3.55 C ATOM 0 H LEU A 12 8.299 -0.023 1.524 1.00 5.33 H new ATOM 0 HA LEU A 12 5.389 -0.167 1.427 1.00 4.15 H new ATOM 0 HB2 LEU A 12 7.555 0.706 -0.547 1.00 4.29 H new ATOM 0 HB3 LEU A 12 5.842 0.842 -0.890 1.00 4.29 H new ATOM 0 HG LEU A 12 6.772 1.925 1.758 1.00 4.62 H new ATOM 0 HD11 LEU A 12 7.475 4.052 0.688 1.00 5.81 H new ATOM 0 HD12 LEU A 12 8.519 2.707 0.169 1.00 5.81 H new ATOM 0 HD13 LEU A 12 7.251 3.320 -0.919 1.00 5.81 H new ATOM 0 HD21 LEU A 12 5.060 3.634 1.199 1.00 3.55 H new ATOM 0 HD22 LEU A 12 4.858 2.906 -0.412 1.00 3.55 H new ATOM 0 HD23 LEU A 12 4.392 1.992 1.042 1.00 3.55 H new ATOM 180 N SER A 13 5.316 -1.519 -1.021 1.00 2.83 N ATOM 181 CA SER A 13 5.058 -2.710 -1.885 1.00 2.79 C ATOM 182 C SER A 13 5.007 -2.276 -3.383 1.00 2.29 C ATOM 183 O SER A 13 4.110 -1.554 -3.768 1.00 1.86 O ATOM 184 CB SER A 13 3.704 -3.305 -1.497 1.00 2.41 C ATOM 185 OG SER A 13 4.014 -4.618 -1.056 1.00 3.22 O ATOM 0 H SER A 13 4.852 -0.659 -1.314 1.00 2.83 H new ATOM 0 HA SER A 13 5.854 -3.442 -1.749 1.00 2.79 H new ATOM 0 HB2 SER A 13 3.224 -2.723 -0.710 1.00 2.41 H new ATOM 0 HB3 SER A 13 3.018 -3.321 -2.344 1.00 2.41 H new ATOM 0 HG SER A 13 3.191 -5.074 -0.784 1.00 3.22 H new ATOM 191 N PRO A 14 5.966 -2.716 -4.212 1.00 2.39 N ATOM 192 CA PRO A 14 5.966 -2.330 -5.633 1.00 2.00 C ATOM 193 C PRO A 14 4.690 -2.816 -6.332 1.00 1.39 C ATOM 194 O PRO A 14 4.411 -2.436 -7.453 1.00 1.36 O ATOM 195 CB PRO A 14 7.200 -3.004 -6.243 1.00 2.24 C ATOM 196 CG PRO A 14 7.922 -3.777 -5.101 1.00 2.75 C ATOM 197 CD PRO A 14 7.086 -3.599 -3.821 1.00 2.93 C ATOM 0 HA PRO A 14 5.994 -1.247 -5.751 1.00 2.00 H new ATOM 0 HB2 PRO A 14 6.909 -3.685 -7.043 1.00 2.24 H new ATOM 0 HB3 PRO A 14 7.865 -2.261 -6.683 1.00 2.24 H new ATOM 0 HG2 PRO A 14 8.017 -4.833 -5.353 1.00 2.75 H new ATOM 0 HG3 PRO A 14 8.931 -3.392 -4.956 1.00 2.75 H new ATOM 0 HD2 PRO A 14 6.722 -4.558 -3.452 1.00 2.93 H new ATOM 0 HD3 PRO A 14 7.679 -3.154 -3.022 1.00 2.93 H new ATOM 205 N ALA A 15 3.943 -3.646 -5.655 1.00 1.19 N ATOM 206 CA ALA A 15 2.681 -4.164 -6.264 1.00 0.87 C ATOM 207 C ALA A 15 1.480 -3.356 -5.763 1.00 0.54 C ATOM 208 O ALA A 15 0.369 -3.546 -6.216 1.00 0.67 O ATOM 209 CB ALA A 15 2.506 -5.631 -5.875 1.00 1.56 C ATOM 0 H ALA A 15 4.148 -3.986 -4.715 1.00 1.19 H new ATOM 0 HA ALA A 15 2.740 -4.070 -7.348 1.00 0.87 H new ATOM 0 HB1 ALA A 15 1.587 -6.017 -6.316 1.00 1.56 H new ATOM 0 HB2 ALA A 15 3.355 -6.208 -6.242 1.00 1.56 H new ATOM 0 HB3 ALA A 15 2.452 -5.716 -4.790 1.00 1.56 H new ATOM 215 N ILE A 16 1.731 -2.470 -4.838 1.00 0.67 N ATOM 216 CA ILE A 16 0.617 -1.641 -4.291 1.00 0.54 C ATOM 217 C ILE A 16 -0.256 -1.105 -5.431 1.00 0.44 C ATOM 218 O ILE A 16 -1.404 -0.762 -5.228 1.00 0.61 O ATOM 219 CB ILE A 16 1.206 -0.469 -3.507 1.00 0.96 C ATOM 220 CG1 ILE A 16 0.071 0.299 -2.822 1.00 0.86 C ATOM 221 CG2 ILE A 16 1.940 0.465 -4.469 1.00 1.34 C ATOM 222 CD1 ILE A 16 0.667 1.431 -1.983 1.00 1.38 C ATOM 0 H ILE A 16 2.651 -2.284 -4.439 1.00 0.67 H new ATOM 0 HA ILE A 16 0.000 -2.256 -3.636 1.00 0.54 H new ATOM 0 HB ILE A 16 1.903 -0.842 -2.757 1.00 0.96 H new ATOM 0 HG12 ILE A 16 -0.613 0.704 -3.568 1.00 0.86 H new ATOM 0 HG13 ILE A 16 -0.509 -0.373 -2.189 1.00 0.86 H new ATOM 0 HG21 ILE A 16 2.361 1.302 -3.913 1.00 1.34 H new ATOM 0 HG22 ILE A 16 2.742 -0.081 -4.965 1.00 1.34 H new ATOM 0 HG23 ILE A 16 1.241 0.841 -5.216 1.00 1.34 H new ATOM 0 HD11 ILE A 16 -0.136 1.982 -1.493 1.00 1.38 H new ATOM 0 HD12 ILE A 16 1.334 1.013 -1.229 1.00 1.38 H new ATOM 0 HD13 ILE A 16 1.228 2.106 -2.629 1.00 1.38 H new ATOM 234 N ARG A 17 0.308 -1.043 -6.605 1.00 0.43 N ATOM 235 CA ARG A 17 -0.476 -0.530 -7.767 1.00 0.69 C ATOM 236 C ARG A 17 -1.343 -1.646 -8.357 1.00 0.75 C ATOM 237 O ARG A 17 -2.508 -1.447 -8.642 1.00 1.10 O ATOM 238 CB ARG A 17 0.490 -0.017 -8.833 1.00 0.76 C ATOM 239 CG ARG A 17 1.474 0.960 -8.188 1.00 1.30 C ATOM 240 CD ARG A 17 2.448 1.467 -9.255 1.00 1.89 C ATOM 241 NE ARG A 17 1.686 2.223 -10.287 1.00 1.09 N ATOM 242 CZ ARG A 17 1.793 1.882 -11.541 1.00 1.74 C ATOM 243 NH1 ARG A 17 2.983 1.803 -12.073 1.00 2.80 N ATOM 244 NH2 ARG A 17 0.709 1.630 -12.223 1.00 2.16 N ATOM 0 H ARG A 17 1.267 -1.322 -6.811 1.00 0.43 H new ATOM 0 HA ARG A 17 -1.126 0.279 -7.432 1.00 0.69 H new ATOM 0 HB2 ARG A 17 1.029 -0.850 -9.284 1.00 0.76 H new ATOM 0 HB3 ARG A 17 -0.061 0.477 -9.633 1.00 0.76 H new ATOM 0 HG2 ARG A 17 0.936 1.796 -7.742 1.00 1.30 H new ATOM 0 HG3 ARG A 17 2.020 0.467 -7.384 1.00 1.30 H new ATOM 0 HD2 ARG A 17 3.204 2.108 -8.801 1.00 1.89 H new ATOM 0 HD3 ARG A 17 2.974 0.629 -9.713 1.00 1.89 H new ATOM 0 HE ARG A 17 1.085 3.001 -10.015 1.00 1.09 H new ATOM 0 HH11 ARG A 17 3.808 2.006 -11.509 1.00 2.80 H new ATOM 0 HH12 ARG A 17 3.087 1.538 -13.052 1.00 2.80 H new ATOM 0 HH21 ARG A 17 -0.204 1.701 -11.774 1.00 2.16 H new ATOM 0 HH22 ARG A 17 0.775 1.362 -13.205 1.00 2.16 H new ATOM 258 N ARG A 18 -0.757 -2.799 -8.528 1.00 0.59 N ATOM 259 CA ARG A 18 -1.534 -3.937 -9.100 1.00 0.98 C ATOM 260 C ARG A 18 -2.144 -4.780 -7.976 1.00 0.78 C ATOM 261 O ARG A 18 -2.785 -5.782 -8.226 1.00 1.00 O ATOM 262 CB ARG A 18 -0.601 -4.807 -9.941 1.00 1.32 C ATOM 263 CG ARG A 18 -0.507 -4.222 -11.351 1.00 1.83 C ATOM 264 CD ARG A 18 0.829 -4.628 -11.976 1.00 1.41 C ATOM 265 NE ARG A 18 0.908 -6.115 -12.027 1.00 1.10 N ATOM 266 CZ ARG A 18 1.902 -6.724 -11.442 1.00 0.85 C ATOM 267 NH1 ARG A 18 3.088 -6.181 -11.488 1.00 0.95 N ATOM 268 NH2 ARG A 18 1.679 -7.854 -10.831 1.00 2.29 N ATOM 0 H ARG A 18 0.216 -3.002 -8.299 1.00 0.59 H new ATOM 0 HA ARG A 18 -2.339 -3.545 -9.722 1.00 0.98 H new ATOM 0 HB2 ARG A 18 0.388 -4.848 -9.484 1.00 1.32 H new ATOM 0 HB3 ARG A 18 -0.976 -5.830 -9.982 1.00 1.32 H new ATOM 0 HG2 ARG A 18 -1.333 -4.583 -11.963 1.00 1.83 H new ATOM 0 HG3 ARG A 18 -0.589 -3.136 -11.313 1.00 1.83 H new ATOM 0 HD2 ARG A 18 0.917 -4.212 -12.979 1.00 1.41 H new ATOM 0 HD3 ARG A 18 1.656 -4.227 -11.390 1.00 1.41 H new ATOM 0 HE ARG A 18 0.191 -6.652 -12.515 1.00 1.10 H new ATOM 0 HH11 ARG A 18 3.225 -5.296 -11.975 1.00 0.95 H new ATOM 0 HH12 ARG A 18 3.878 -6.642 -11.036 1.00 0.95 H new ATOM 0 HH21 ARG A 18 0.739 -8.249 -10.816 1.00 2.29 H new ATOM 0 HH22 ARG A 18 2.445 -8.343 -10.368 1.00 2.29 H new ATOM 282 N LEU A 19 -1.934 -4.355 -6.760 1.00 0.39 N ATOM 283 CA LEU A 19 -2.498 -5.121 -5.610 1.00 0.25 C ATOM 284 C LEU A 19 -4.029 -5.076 -5.648 1.00 0.23 C ATOM 285 O LEU A 19 -4.689 -6.047 -5.334 1.00 0.18 O ATOM 286 CB LEU A 19 -2.003 -4.502 -4.303 1.00 0.30 C ATOM 287 CG LEU A 19 -2.173 -5.517 -3.172 1.00 0.64 C ATOM 288 CD1 LEU A 19 -0.868 -6.296 -2.993 1.00 0.91 C ATOM 289 CD2 LEU A 19 -2.499 -4.775 -1.874 1.00 0.87 C ATOM 0 H LEU A 19 -1.403 -3.520 -6.513 1.00 0.39 H new ATOM 0 HA LEU A 19 -2.172 -6.159 -5.675 1.00 0.25 H new ATOM 0 HB2 LEU A 19 -0.956 -4.215 -4.396 1.00 0.30 H new ATOM 0 HB3 LEU A 19 -2.564 -3.594 -4.081 1.00 0.30 H new ATOM 0 HG LEU A 19 -2.982 -6.206 -3.415 1.00 0.64 H new ATOM 0 HD11 LEU A 19 -0.985 -7.021 -2.187 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -0.626 -6.818 -3.919 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -0.063 -5.605 -2.745 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -2.621 -5.495 -1.064 1.00 0.87 H new ATOM 0 HD22 LEU A 19 -1.686 -4.091 -1.632 1.00 0.87 H new ATOM 0 HD23 LEU A 19 -3.423 -4.210 -2.000 1.00 0.87 H new ATOM 301 N LEU A 20 -4.559 -3.948 -6.033 1.00 0.44 N ATOM 302 CA LEU A 20 -6.044 -3.822 -6.099 1.00 0.66 C ATOM 303 C LEU A 20 -6.592 -4.649 -7.266 1.00 0.80 C ATOM 304 O LEU A 20 -7.718 -5.108 -7.231 1.00 0.91 O ATOM 305 CB LEU A 20 -6.411 -2.351 -6.301 1.00 0.95 C ATOM 306 CG LEU A 20 -6.257 -1.609 -4.971 1.00 1.03 C ATOM 307 CD1 LEU A 20 -5.776 -0.183 -5.245 1.00 1.28 C ATOM 308 CD2 LEU A 20 -7.612 -1.557 -4.264 1.00 1.07 C ATOM 0 H LEU A 20 -4.035 -3.115 -6.302 1.00 0.44 H new ATOM 0 HA LEU A 20 -6.479 -4.191 -5.170 1.00 0.66 H new ATOM 0 HB2 LEU A 20 -5.767 -1.903 -7.058 1.00 0.95 H new ATOM 0 HB3 LEU A 20 -7.436 -2.265 -6.663 1.00 0.95 H new ATOM 0 HG LEU A 20 -5.534 -2.127 -4.341 1.00 1.03 H new ATOM 0 HD11 LEU A 20 -5.664 0.351 -4.301 1.00 1.28 H new ATOM 0 HD12 LEU A 20 -4.816 -0.216 -5.759 1.00 1.28 H new ATOM 0 HD13 LEU A 20 -6.505 0.333 -5.870 1.00 1.28 H new ATOM 0 HD21 LEU A 20 -7.508 -1.029 -3.316 1.00 1.07 H new ATOM 0 HD22 LEU A 20 -8.331 -1.033 -4.894 1.00 1.07 H new ATOM 0 HD23 LEU A 20 -7.964 -2.572 -4.078 1.00 1.07 H new ATOM 320 N ALA A 21 -5.784 -4.822 -8.276 1.00 0.86 N ATOM 321 CA ALA A 21 -6.240 -5.618 -9.453 1.00 1.10 C ATOM 322 C ALA A 21 -5.798 -7.077 -9.307 1.00 1.00 C ATOM 323 O ALA A 21 -6.300 -7.951 -9.986 1.00 1.13 O ATOM 324 CB ALA A 21 -5.632 -5.025 -10.723 1.00 1.55 C ATOM 0 H ALA A 21 -4.836 -4.451 -8.339 1.00 0.86 H new ATOM 0 HA ALA A 21 -7.328 -5.584 -9.511 1.00 1.10 H new ATOM 0 HB1 ALA A 21 -5.961 -5.602 -11.587 1.00 1.55 H new ATOM 0 HB2 ALA A 21 -5.956 -3.990 -10.833 1.00 1.55 H new ATOM 0 HB3 ALA A 21 -4.545 -5.060 -10.656 1.00 1.55 H new ATOM 330 N GLU A 22 -4.866 -7.308 -8.424 1.00 0.89 N ATOM 331 CA GLU A 22 -4.378 -8.703 -8.219 1.00 1.08 C ATOM 332 C GLU A 22 -5.423 -9.521 -7.454 1.00 0.95 C ATOM 333 O GLU A 22 -5.702 -10.654 -7.796 1.00 1.25 O ATOM 334 CB GLU A 22 -3.075 -8.665 -7.422 1.00 1.16 C ATOM 335 CG GLU A 22 -2.561 -10.094 -7.232 1.00 1.26 C ATOM 336 CD GLU A 22 -1.093 -10.165 -7.658 1.00 1.99 C ATOM 337 OE1 GLU A 22 -0.854 -9.892 -8.823 1.00 3.18 O ATOM 338 OE2 GLU A 22 -0.295 -10.487 -6.794 1.00 1.59 O ATOM 0 H GLU A 22 -4.424 -6.599 -7.840 1.00 0.89 H new ATOM 0 HA GLU A 22 -4.206 -9.170 -9.189 1.00 1.08 H new ATOM 0 HB2 GLU A 22 -2.331 -8.065 -7.946 1.00 1.16 H new ATOM 0 HB3 GLU A 22 -3.241 -8.193 -6.453 1.00 1.16 H new ATOM 0 HG2 GLU A 22 -2.664 -10.394 -6.189 1.00 1.26 H new ATOM 0 HG3 GLU A 22 -3.157 -10.789 -7.824 1.00 1.26 H new ATOM 345 N HIS A 23 -5.980 -8.928 -6.432 1.00 0.61 N ATOM 346 CA HIS A 23 -7.008 -9.655 -5.630 1.00 0.74 C ATOM 347 C HIS A 23 -8.416 -9.252 -6.084 1.00 0.52 C ATOM 348 O HIS A 23 -9.389 -9.524 -5.411 1.00 0.58 O ATOM 349 CB HIS A 23 -6.832 -9.305 -4.154 1.00 0.91 C ATOM 350 CG HIS A 23 -5.407 -9.651 -3.720 1.00 1.09 C ATOM 351 ND1 HIS A 23 -4.868 -10.775 -3.849 1.00 1.28 N ATOM 352 CD2 HIS A 23 -4.449 -8.856 -3.120 1.00 1.14 C ATOM 353 CE1 HIS A 23 -3.680 -10.774 -3.397 1.00 1.41 C ATOM 354 NE2 HIS A 23 -3.326 -9.588 -2.910 1.00 1.31 N ATOM 0 H HIS A 23 -5.771 -7.980 -6.119 1.00 0.61 H new ATOM 0 HA HIS A 23 -6.883 -10.728 -5.776 1.00 0.74 H new ATOM 0 HB2 HIS A 23 -7.026 -8.244 -3.994 1.00 0.91 H new ATOM 0 HB3 HIS A 23 -7.553 -9.856 -3.549 1.00 0.91 H new ATOM 0 HD2 HIS A 23 -4.574 -7.815 -2.859 1.00 1.14 H new ATOM 0 HE1 HIS A 23 -3.032 -11.638 -3.407 1.00 1.41 H new ATOM 0 HE2 HIS A 23 -2.442 -9.303 -2.489 1.00 1.31 H new ATOM 362 N ASN A 24 -8.492 -8.610 -7.218 1.00 0.45 N ATOM 363 CA ASN A 24 -9.827 -8.181 -7.727 1.00 0.35 C ATOM 364 C ASN A 24 -10.627 -7.511 -6.605 1.00 0.50 C ATOM 365 O ASN A 24 -11.440 -8.144 -5.960 1.00 0.98 O ATOM 366 CB ASN A 24 -10.585 -9.408 -8.233 1.00 0.41 C ATOM 367 CG ASN A 24 -9.628 -10.305 -9.021 1.00 1.39 C ATOM 368 OD1 ASN A 24 -9.833 -11.496 -9.140 1.00 2.34 O ATOM 369 ND2 ASN A 24 -8.573 -9.773 -9.574 1.00 1.72 N ATOM 0 H ASN A 24 -7.697 -8.366 -7.809 1.00 0.45 H new ATOM 0 HA ASN A 24 -9.692 -7.467 -8.539 1.00 0.35 H new ATOM 0 HB2 ASN A 24 -11.010 -9.959 -7.394 1.00 0.41 H new ATOM 0 HB3 ASN A 24 -11.417 -9.100 -8.866 1.00 0.41 H new ATOM 0 HD21 ASN A 24 -7.925 -10.357 -10.103 1.00 1.72 H new ATOM 0 HD22 ASN A 24 -8.396 -8.773 -9.477 1.00 1.72 H new ATOM 376 N LEU A 25 -10.374 -6.242 -6.402 1.00 0.26 N ATOM 377 CA LEU A 25 -11.102 -5.497 -5.325 1.00 0.37 C ATOM 378 C LEU A 25 -11.860 -4.307 -5.924 1.00 0.47 C ATOM 379 O LEU A 25 -11.494 -3.794 -6.962 1.00 0.98 O ATOM 380 CB LEU A 25 -10.088 -4.988 -4.303 1.00 0.69 C ATOM 381 CG LEU A 25 -9.556 -6.171 -3.490 1.00 1.37 C ATOM 382 CD1 LEU A 25 -8.091 -5.914 -3.129 1.00 2.09 C ATOM 383 CD2 LEU A 25 -10.375 -6.309 -2.206 1.00 1.89 C ATOM 0 H LEU A 25 -9.699 -5.691 -6.932 1.00 0.26 H new ATOM 0 HA LEU A 25 -11.817 -6.165 -4.845 1.00 0.37 H new ATOM 0 HB2 LEU A 25 -9.267 -4.481 -4.809 1.00 0.69 H new ATOM 0 HB3 LEU A 25 -10.555 -4.258 -3.642 1.00 0.69 H new ATOM 0 HG LEU A 25 -9.636 -7.087 -4.076 1.00 1.37 H new ATOM 0 HD11 LEU A 25 -7.706 -6.753 -2.550 1.00 2.09 H new ATOM 0 HD12 LEU A 25 -7.505 -5.804 -4.042 1.00 2.09 H new ATOM 0 HD13 LEU A 25 -8.017 -5.001 -2.538 1.00 2.09 H new ATOM 0 HD21 LEU A 25 -10.000 -7.150 -1.624 1.00 1.89 H new ATOM 0 HD22 LEU A 25 -10.289 -5.394 -1.619 1.00 1.89 H new ATOM 0 HD23 LEU A 25 -11.421 -6.481 -2.459 1.00 1.89 H new ATOM 395 N ASP A 26 -12.901 -3.897 -5.251 1.00 0.80 N ATOM 396 CA ASP A 26 -13.697 -2.741 -5.762 1.00 1.07 C ATOM 397 C ASP A 26 -13.273 -1.453 -5.050 1.00 0.66 C ATOM 398 O ASP A 26 -13.886 -1.043 -4.084 1.00 0.49 O ATOM 399 CB ASP A 26 -15.180 -3.002 -5.501 1.00 1.70 C ATOM 400 CG ASP A 26 -15.577 -4.338 -6.133 1.00 2.38 C ATOM 401 OD1 ASP A 26 -15.209 -4.524 -7.281 1.00 1.85 O ATOM 402 OD2 ASP A 26 -16.225 -5.096 -5.432 1.00 3.60 O ATOM 0 H ASP A 26 -13.233 -4.307 -4.378 1.00 0.80 H new ATOM 0 HA ASP A 26 -13.521 -2.628 -6.832 1.00 1.07 H new ATOM 0 HB2 ASP A 26 -15.374 -3.022 -4.429 1.00 1.70 H new ATOM 0 HB3 ASP A 26 -15.782 -2.195 -5.919 1.00 1.70 H new ATOM 407 N ALA A 27 -12.230 -0.843 -5.542 1.00 0.68 N ATOM 408 CA ALA A 27 -11.749 0.420 -4.905 1.00 0.49 C ATOM 409 C ALA A 27 -12.900 1.424 -4.786 1.00 0.42 C ATOM 410 O ALA A 27 -13.017 2.124 -3.800 1.00 0.44 O ATOM 411 CB ALA A 27 -10.636 1.020 -5.762 1.00 0.84 C ATOM 0 H ALA A 27 -11.693 -1.159 -6.350 1.00 0.68 H new ATOM 0 HA ALA A 27 -11.371 0.198 -3.907 1.00 0.49 H new ATOM 0 HB1 ALA A 27 -10.280 1.942 -5.303 1.00 0.84 H new ATOM 0 HB2 ALA A 27 -9.812 0.311 -5.837 1.00 0.84 H new ATOM 0 HB3 ALA A 27 -11.021 1.236 -6.759 1.00 0.84 H new ATOM 417 N SER A 28 -13.726 1.473 -5.796 1.00 0.36 N ATOM 418 CA SER A 28 -14.873 2.427 -5.757 1.00 0.31 C ATOM 419 C SER A 28 -15.626 2.299 -4.429 1.00 0.23 C ATOM 420 O SER A 28 -16.431 3.142 -4.084 1.00 0.38 O ATOM 421 CB SER A 28 -15.823 2.111 -6.912 1.00 0.29 C ATOM 422 OG SER A 28 -15.846 0.692 -6.965 1.00 1.60 O ATOM 0 H SER A 28 -13.659 0.901 -6.638 1.00 0.36 H new ATOM 0 HA SER A 28 -14.496 3.445 -5.850 1.00 0.31 H new ATOM 0 HB2 SER A 28 -16.818 2.519 -6.733 1.00 0.29 H new ATOM 0 HB3 SER A 28 -15.467 2.539 -7.849 1.00 0.29 H new ATOM 0 HG SER A 28 -16.441 0.401 -7.687 1.00 1.60 H new ATOM 428 N ALA A 29 -15.347 1.246 -3.710 1.00 0.22 N ATOM 429 CA ALA A 29 -16.038 1.048 -2.402 1.00 0.25 C ATOM 430 C ALA A 29 -15.174 1.591 -1.260 1.00 0.32 C ATOM 431 O ALA A 29 -15.684 2.115 -0.288 1.00 0.46 O ATOM 432 CB ALA A 29 -16.284 -0.445 -2.189 1.00 0.32 C ATOM 0 H ALA A 29 -14.678 0.520 -3.967 1.00 0.22 H new ATOM 0 HA ALA A 29 -16.987 1.585 -2.412 1.00 0.25 H new ATOM 0 HB1 ALA A 29 -16.789 -0.598 -1.235 1.00 0.32 H new ATOM 0 HB2 ALA A 29 -16.908 -0.830 -2.996 1.00 0.32 H new ATOM 0 HB3 ALA A 29 -15.331 -0.974 -2.184 1.00 0.32 H new ATOM 438 N ILE A 30 -13.884 1.456 -1.400 1.00 0.31 N ATOM 439 CA ILE A 30 -12.973 1.960 -0.329 1.00 0.36 C ATOM 440 C ILE A 30 -12.920 3.492 -0.363 1.00 0.29 C ATOM 441 O ILE A 30 -12.587 4.081 -1.372 1.00 0.50 O ATOM 442 CB ILE A 30 -11.564 1.395 -0.561 1.00 0.43 C ATOM 443 CG1 ILE A 30 -11.646 -0.135 -0.739 1.00 0.48 C ATOM 444 CG2 ILE A 30 -10.658 1.740 0.637 1.00 0.53 C ATOM 445 CD1 ILE A 30 -12.413 -0.762 0.434 1.00 0.47 C ATOM 0 H ILE A 30 -13.423 1.023 -2.200 1.00 0.31 H new ATOM 0 HA ILE A 30 -13.347 1.639 0.643 1.00 0.36 H new ATOM 0 HB ILE A 30 -11.140 1.838 -1.462 1.00 0.43 H new ATOM 0 HG12 ILE A 30 -12.144 -0.373 -1.679 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -10.642 -0.557 -0.795 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -9.660 1.336 0.466 1.00 0.53 H new ATOM 0 HG22 ILE A 30 -10.598 2.823 0.748 1.00 0.53 H new ATOM 0 HG23 ILE A 30 -11.075 1.305 1.545 1.00 0.53 H new ATOM 0 HD11 ILE A 30 -12.465 -1.842 0.299 1.00 0.47 H new ATOM 0 HD12 ILE A 30 -11.897 -0.538 1.368 1.00 0.47 H new ATOM 0 HD13 ILE A 30 -13.422 -0.352 0.470 1.00 0.47 H new ATOM 457 N LYS A 31 -13.250 4.102 0.742 1.00 0.18 N ATOM 458 CA LYS A 31 -13.225 5.592 0.793 1.00 0.27 C ATOM 459 C LYS A 31 -11.781 6.094 0.901 1.00 0.34 C ATOM 460 O LYS A 31 -11.023 5.635 1.732 1.00 0.25 O ATOM 461 CB LYS A 31 -14.020 6.065 2.008 1.00 0.29 C ATOM 462 CG LYS A 31 -13.990 4.974 3.081 1.00 1.42 C ATOM 463 CD LYS A 31 -14.378 5.586 4.429 1.00 1.87 C ATOM 464 CE LYS A 31 -14.876 4.476 5.357 1.00 3.06 C ATOM 465 NZ LYS A 31 -16.354 4.327 5.246 1.00 2.97 N ATOM 0 H LYS A 31 -13.534 3.639 1.605 1.00 0.18 H new ATOM 0 HA LYS A 31 -13.669 5.989 -0.120 1.00 0.27 H new ATOM 0 HB2 LYS A 31 -13.595 6.989 2.399 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -15.049 6.284 1.722 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -14.680 4.171 2.820 1.00 1.42 H new ATOM 0 HG3 LYS A 31 -12.995 4.533 3.141 1.00 1.42 H new ATOM 0 HD2 LYS A 31 -13.521 6.091 4.873 1.00 1.87 H new ATOM 0 HD3 LYS A 31 -15.155 6.338 4.291 1.00 1.87 H new ATOM 0 HE2 LYS A 31 -14.389 3.535 5.101 1.00 3.06 H new ATOM 0 HE3 LYS A 31 -14.604 4.706 6.387 1.00 3.06 H new ATOM 0 HZ1 LYS A 31 -16.675 3.570 5.882 1.00 2.97 H new ATOM 0 HZ2 LYS A 31 -16.814 5.221 5.512 1.00 2.97 H new ATOM 0 HZ3 LYS A 31 -16.606 4.086 4.266 1.00 2.97 H new ATOM 479 N GLY A 32 -11.432 7.026 0.058 1.00 0.57 N ATOM 480 CA GLY A 32 -10.045 7.567 0.098 1.00 0.66 C ATOM 481 C GLY A 32 -9.963 8.750 1.064 1.00 0.56 C ATOM 482 O GLY A 32 -10.506 9.806 0.805 1.00 0.80 O ATOM 0 H GLY A 32 -12.041 7.433 -0.651 1.00 0.57 H new ATOM 0 HA2 GLY A 32 -9.352 6.786 0.410 1.00 0.66 H new ATOM 0 HA3 GLY A 32 -9.742 7.882 -0.900 1.00 0.66 H new ATOM 486 N THR A 33 -9.284 8.548 2.161 1.00 0.25 N ATOM 487 CA THR A 33 -9.157 9.653 3.157 1.00 0.26 C ATOM 488 C THR A 33 -7.844 10.413 2.938 1.00 0.42 C ATOM 489 O THR A 33 -7.559 11.375 3.623 1.00 0.76 O ATOM 490 CB THR A 33 -9.174 9.060 4.568 1.00 0.39 C ATOM 491 OG1 THR A 33 -8.100 8.125 4.582 1.00 0.66 O ATOM 492 CG2 THR A 33 -10.433 8.232 4.812 1.00 0.74 C ATOM 0 H THR A 33 -8.816 7.676 2.410 1.00 0.25 H new ATOM 0 HA THR A 33 -9.990 10.345 3.034 1.00 0.26 H new ATOM 0 HB THR A 33 -9.116 9.858 5.308 1.00 0.39 H new ATOM 0 HG1 THR A 33 -8.047 7.701 5.464 1.00 0.66 H new ATOM 0 HG21 THR A 33 -10.411 7.826 5.823 1.00 0.74 H new ATOM 0 HG22 THR A 33 -11.313 8.864 4.693 1.00 0.74 H new ATOM 0 HG23 THR A 33 -10.475 7.413 4.094 1.00 0.74 H new ATOM 500 N GLY A 34 -7.074 9.965 1.984 1.00 0.58 N ATOM 501 CA GLY A 34 -5.780 10.649 1.708 1.00 0.87 C ATOM 502 C GLY A 34 -6.022 12.106 1.309 1.00 1.36 C ATOM 503 O GLY A 34 -7.108 12.625 1.472 1.00 1.38 O ATOM 0 H GLY A 34 -7.282 9.163 1.389 1.00 0.58 H new ATOM 0 HA2 GLY A 34 -5.144 10.608 2.592 1.00 0.87 H new ATOM 0 HA3 GLY A 34 -5.250 10.130 0.910 1.00 0.87 H new ATOM 507 N VAL A 35 -5.002 12.736 0.793 1.00 1.76 N ATOM 508 CA VAL A 35 -5.156 14.161 0.376 1.00 2.27 C ATOM 509 C VAL A 35 -5.872 14.243 -0.976 1.00 2.47 C ATOM 510 O VAL A 35 -5.295 13.951 -2.005 1.00 3.01 O ATOM 511 CB VAL A 35 -3.773 14.800 0.261 1.00 2.38 C ATOM 512 CG1 VAL A 35 -3.928 16.318 0.147 1.00 2.67 C ATOM 513 CG2 VAL A 35 -2.959 14.470 1.514 1.00 2.26 C ATOM 0 H VAL A 35 -4.078 12.332 0.643 1.00 1.76 H new ATOM 0 HA VAL A 35 -5.750 14.691 1.121 1.00 2.27 H new ATOM 0 HB VAL A 35 -3.262 14.414 -0.621 1.00 2.38 H new ATOM 0 HG11 VAL A 35 -2.944 16.779 0.065 1.00 2.67 H new ATOM 0 HG12 VAL A 35 -4.516 16.558 -0.739 1.00 2.67 H new ATOM 0 HG13 VAL A 35 -4.434 16.700 1.034 1.00 2.67 H new ATOM 0 HG21 VAL A 35 -1.971 14.924 1.436 1.00 2.26 H new ATOM 0 HG22 VAL A 35 -3.470 14.862 2.394 1.00 2.26 H new ATOM 0 HG23 VAL A 35 -2.855 13.389 1.606 1.00 2.26 H new ATOM 523 N GLY A 36 -7.115 14.639 -0.944 1.00 2.31 N ATOM 524 CA GLY A 36 -7.881 14.745 -2.216 1.00 2.51 C ATOM 525 C GLY A 36 -8.370 13.366 -2.661 1.00 2.21 C ATOM 526 O GLY A 36 -8.138 12.952 -3.779 1.00 2.50 O ATOM 0 H GLY A 36 -7.629 14.891 -0.100 1.00 2.31 H new ATOM 0 HA2 GLY A 36 -8.731 15.413 -2.081 1.00 2.51 H new ATOM 0 HA3 GLY A 36 -7.252 15.182 -2.991 1.00 2.51 H new ATOM 530 N GLY A 37 -9.039 12.680 -1.773 1.00 2.06 N ATOM 531 CA GLY A 37 -9.549 11.326 -2.127 1.00 1.78 C ATOM 532 C GLY A 37 -8.433 10.478 -2.737 1.00 1.36 C ATOM 533 O GLY A 37 -8.655 9.734 -3.672 1.00 1.45 O ATOM 0 H GLY A 37 -9.252 12.996 -0.827 1.00 2.06 H new ATOM 0 HA2 GLY A 37 -9.942 10.835 -1.237 1.00 1.78 H new ATOM 0 HA3 GLY A 37 -10.374 11.415 -2.833 1.00 1.78 H new ATOM 537 N ARG A 38 -7.253 10.605 -2.194 1.00 1.02 N ATOM 538 CA ARG A 38 -6.108 9.812 -2.731 1.00 0.66 C ATOM 539 C ARG A 38 -6.061 8.433 -2.065 1.00 0.57 C ATOM 540 O ARG A 38 -5.583 8.292 -0.957 1.00 0.81 O ATOM 541 CB ARG A 38 -4.806 10.559 -2.450 1.00 0.61 C ATOM 542 CG ARG A 38 -3.630 9.734 -2.975 1.00 1.04 C ATOM 543 CD ARG A 38 -2.407 10.641 -3.126 1.00 0.81 C ATOM 544 NE ARG A 38 -2.329 11.117 -4.536 1.00 1.48 N ATOM 545 CZ ARG A 38 -1.198 11.583 -4.992 1.00 1.93 C ATOM 546 NH1 ARG A 38 -0.086 10.992 -4.646 1.00 2.26 N ATOM 547 NH2 ARG A 38 -1.216 12.622 -5.780 1.00 2.70 N ATOM 0 H ARG A 38 -7.032 11.217 -1.409 1.00 1.02 H new ATOM 0 HA ARG A 38 -6.236 9.680 -3.805 1.00 0.66 H new ATOM 0 HB2 ARG A 38 -4.823 11.537 -2.931 1.00 0.61 H new ATOM 0 HB3 ARG A 38 -4.696 10.732 -1.379 1.00 0.61 H new ATOM 0 HG2 ARG A 38 -3.409 8.916 -2.289 1.00 1.04 H new ATOM 0 HG3 ARG A 38 -3.885 9.285 -3.935 1.00 1.04 H new ATOM 0 HD2 ARG A 38 -2.481 11.489 -2.446 1.00 0.81 H new ATOM 0 HD3 ARG A 38 -1.500 10.098 -2.861 1.00 0.81 H new ATOM 0 HE ARG A 38 -3.151 11.079 -5.139 1.00 1.48 H new ATOM 0 HH11 ARG A 38 -0.111 10.180 -4.029 1.00 2.26 H new ATOM 0 HH12 ARG A 38 0.807 11.342 -4.993 1.00 2.26 H new ATOM 0 HH21 ARG A 38 -2.104 13.057 -6.030 1.00 2.70 H new ATOM 0 HH22 ARG A 38 -0.342 13.000 -6.146 1.00 2.70 H new ATOM 561 N LEU A 39 -6.557 7.445 -2.758 1.00 0.64 N ATOM 562 CA LEU A 39 -6.549 6.067 -2.182 1.00 0.50 C ATOM 563 C LEU A 39 -5.107 5.622 -1.909 1.00 0.65 C ATOM 564 O LEU A 39 -4.234 5.803 -2.737 1.00 0.83 O ATOM 565 CB LEU A 39 -7.213 5.108 -3.183 1.00 0.52 C ATOM 566 CG LEU A 39 -7.118 3.658 -2.675 1.00 0.41 C ATOM 567 CD1 LEU A 39 -7.739 3.559 -1.280 1.00 0.49 C ATOM 568 CD2 LEU A 39 -7.890 2.745 -3.629 1.00 0.54 C ATOM 0 H LEU A 39 -6.964 7.529 -3.689 1.00 0.64 H new ATOM 0 HA LEU A 39 -7.100 6.058 -1.241 1.00 0.50 H new ATOM 0 HB2 LEU A 39 -8.258 5.384 -3.323 1.00 0.52 H new ATOM 0 HB3 LEU A 39 -6.728 5.193 -4.155 1.00 0.52 H new ATOM 0 HG LEU A 39 -6.072 3.356 -2.630 1.00 0.41 H new ATOM 0 HD11 LEU A 39 -7.670 2.531 -0.923 1.00 0.49 H new ATOM 0 HD12 LEU A 39 -7.204 4.217 -0.596 1.00 0.49 H new ATOM 0 HD13 LEU A 39 -8.786 3.858 -1.326 1.00 0.49 H new ATOM 0 HD21 LEU A 39 -7.828 1.715 -3.277 1.00 0.54 H new ATOM 0 HD22 LEU A 39 -8.935 3.055 -3.663 1.00 0.54 H new ATOM 0 HD23 LEU A 39 -7.458 2.814 -4.627 1.00 0.54 H new ATOM 580 N THR A 40 -4.893 5.051 -0.749 1.00 0.67 N ATOM 581 CA THR A 40 -3.518 4.581 -0.390 1.00 0.84 C ATOM 582 C THR A 40 -3.559 3.110 0.041 1.00 0.66 C ATOM 583 O THR A 40 -4.086 2.272 -0.664 1.00 1.09 O ATOM 584 CB THR A 40 -2.984 5.434 0.764 1.00 1.01 C ATOM 585 OG1 THR A 40 -3.906 5.223 1.829 1.00 0.87 O ATOM 586 CG2 THR A 40 -3.070 6.924 0.445 1.00 1.27 C ATOM 0 H THR A 40 -5.607 4.890 -0.038 1.00 0.67 H new ATOM 0 HA THR A 40 -2.866 4.677 -1.258 1.00 0.84 H new ATOM 0 HB THR A 40 -1.949 5.167 0.976 1.00 1.01 H new ATOM 0 HG1 THR A 40 -3.626 5.742 2.612 1.00 0.87 H new ATOM 0 HG21 THR A 40 -2.683 7.499 1.286 1.00 1.27 H new ATOM 0 HG22 THR A 40 -2.479 7.140 -0.445 1.00 1.27 H new ATOM 0 HG23 THR A 40 -4.110 7.198 0.266 1.00 1.27 H new ATOM 594 N ARG A 41 -2.998 2.835 1.193 1.00 0.31 N ATOM 595 CA ARG A 41 -2.986 1.425 1.700 1.00 0.26 C ATOM 596 C ARG A 41 -3.603 1.362 3.102 1.00 0.44 C ATOM 597 O ARG A 41 -4.002 0.309 3.560 1.00 0.53 O ATOM 598 CB ARG A 41 -1.541 0.932 1.760 1.00 0.25 C ATOM 599 CG ARG A 41 -1.518 -0.585 1.555 1.00 0.25 C ATOM 600 CD ARG A 41 -0.125 -1.117 1.896 1.00 0.21 C ATOM 601 NE ARG A 41 0.895 -0.140 1.425 1.00 2.03 N ATOM 602 CZ ARG A 41 1.485 0.637 2.291 1.00 3.04 C ATOM 603 NH1 ARG A 41 2.268 0.103 3.189 1.00 2.98 N ATOM 604 NH2 ARG A 41 1.274 1.924 2.232 1.00 4.43 N ATOM 0 H ARG A 41 -2.550 3.520 1.802 1.00 0.31 H new ATOM 0 HA ARG A 41 -3.570 0.795 1.029 1.00 0.26 H new ATOM 0 HB2 ARG A 41 -0.944 1.424 0.992 1.00 0.25 H new ATOM 0 HB3 ARG A 41 -1.096 1.188 2.722 1.00 0.25 H new ATOM 0 HG2 ARG A 41 -2.267 -1.061 2.188 1.00 0.25 H new ATOM 0 HG3 ARG A 41 -1.771 -0.829 0.523 1.00 0.25 H new ATOM 0 HD2 ARG A 41 -0.033 -1.269 2.971 1.00 0.21 H new ATOM 0 HD3 ARG A 41 0.035 -2.086 1.422 1.00 0.21 H new ATOM 0 HE ARG A 41 1.130 -0.079 0.434 1.00 2.03 H new ATOM 0 HH11 ARG A 41 2.410 -0.907 3.206 1.00 2.98 H new ATOM 0 HH12 ARG A 41 2.737 0.696 3.874 1.00 2.98 H new ATOM 0 HH21 ARG A 41 0.656 2.307 1.517 1.00 4.43 H new ATOM 0 HH22 ARG A 41 1.727 2.546 2.901 1.00 4.43 H new ATOM 618 N GLU A 42 -3.669 2.491 3.751 1.00 0.60 N ATOM 619 CA GLU A 42 -4.256 2.514 5.123 1.00 0.80 C ATOM 620 C GLU A 42 -5.786 2.546 5.044 1.00 0.81 C ATOM 621 O GLU A 42 -6.447 2.985 5.966 1.00 1.32 O ATOM 622 CB GLU A 42 -3.756 3.757 5.859 1.00 0.94 C ATOM 623 CG GLU A 42 -2.302 3.538 6.282 1.00 1.09 C ATOM 624 CD GLU A 42 -2.267 2.994 7.711 1.00 0.52 C ATOM 625 OE1 GLU A 42 -2.918 1.984 7.922 1.00 1.31 O ATOM 626 OE2 GLU A 42 -1.590 3.619 8.512 1.00 1.30 O ATOM 0 H GLU A 42 -3.346 3.391 3.397 1.00 0.60 H new ATOM 0 HA GLU A 42 -3.951 1.616 5.660 1.00 0.80 H new ATOM 0 HB2 GLU A 42 -3.832 4.632 5.214 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -4.377 3.951 6.734 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -1.815 2.839 5.602 1.00 1.09 H new ATOM 0 HG3 GLU A 42 -1.749 4.476 6.224 1.00 1.09 H new ATOM 633 N ASP A 43 -6.313 2.079 3.938 1.00 0.30 N ATOM 634 CA ASP A 43 -7.802 2.069 3.768 1.00 0.31 C ATOM 635 C ASP A 43 -8.272 0.683 3.310 1.00 0.34 C ATOM 636 O ASP A 43 -9.351 0.246 3.656 1.00 0.40 O ATOM 637 CB ASP A 43 -8.190 3.110 2.719 1.00 0.31 C ATOM 638 CG ASP A 43 -7.862 4.507 3.247 1.00 0.24 C ATOM 639 OD1 ASP A 43 -8.051 4.693 4.438 1.00 1.10 O ATOM 640 OD2 ASP A 43 -7.444 5.311 2.430 1.00 1.44 O ATOM 0 H ASP A 43 -5.782 1.707 3.151 1.00 0.30 H new ATOM 0 HA ASP A 43 -8.275 2.305 4.721 1.00 0.31 H new ATOM 0 HB2 ASP A 43 -7.652 2.924 1.790 1.00 0.31 H new ATOM 0 HB3 ASP A 43 -9.253 3.035 2.492 1.00 0.31 H new ATOM 645 N VAL A 44 -7.450 0.024 2.538 1.00 0.40 N ATOM 646 CA VAL A 44 -7.835 -1.333 2.049 1.00 0.52 C ATOM 647 C VAL A 44 -7.422 -2.402 3.067 1.00 0.60 C ATOM 648 O VAL A 44 -7.823 -3.544 2.971 1.00 0.58 O ATOM 649 CB VAL A 44 -7.133 -1.600 0.718 1.00 0.53 C ATOM 650 CG1 VAL A 44 -7.524 -2.990 0.212 1.00 0.77 C ATOM 651 CG2 VAL A 44 -7.574 -0.551 -0.305 1.00 0.56 C ATOM 0 H VAL A 44 -6.539 0.361 2.227 1.00 0.40 H new ATOM 0 HA VAL A 44 -8.916 -1.373 1.917 1.00 0.52 H new ATOM 0 HB VAL A 44 -6.053 -1.548 0.856 1.00 0.53 H new ATOM 0 HG11 VAL A 44 -7.026 -3.185 -0.738 1.00 0.77 H new ATOM 0 HG12 VAL A 44 -7.222 -3.741 0.942 1.00 0.77 H new ATOM 0 HG13 VAL A 44 -8.604 -3.035 0.071 1.00 0.77 H new ATOM 0 HG21 VAL A 44 -7.075 -0.738 -1.256 1.00 0.56 H new ATOM 0 HG22 VAL A 44 -8.654 -0.609 -0.444 1.00 0.56 H new ATOM 0 HG23 VAL A 44 -7.308 0.443 0.055 1.00 0.56 H new ATOM 661 N GLU A 45 -6.629 -2.005 4.025 1.00 0.80 N ATOM 662 CA GLU A 45 -6.176 -2.983 5.057 1.00 0.91 C ATOM 663 C GLU A 45 -7.383 -3.615 5.760 1.00 0.69 C ATOM 664 O GLU A 45 -7.565 -4.815 5.729 1.00 0.45 O ATOM 665 CB GLU A 45 -5.311 -2.258 6.087 1.00 1.28 C ATOM 666 CG GLU A 45 -3.979 -2.997 6.232 1.00 0.89 C ATOM 667 CD GLU A 45 -3.108 -2.271 7.260 1.00 1.68 C ATOM 668 OE1 GLU A 45 -3.399 -2.443 8.432 1.00 2.27 O ATOM 669 OE2 GLU A 45 -2.201 -1.586 6.816 1.00 2.14 O ATOM 0 H GLU A 45 -6.277 -1.054 4.138 1.00 0.80 H new ATOM 0 HA GLU A 45 -5.600 -3.771 4.573 1.00 0.91 H new ATOM 0 HB2 GLU A 45 -5.138 -1.228 5.774 1.00 1.28 H new ATOM 0 HB3 GLU A 45 -5.825 -2.217 7.047 1.00 1.28 H new ATOM 0 HG2 GLU A 45 -4.153 -4.026 6.547 1.00 0.89 H new ATOM 0 HG3 GLU A 45 -3.467 -3.041 5.271 1.00 0.89 H new ATOM 676 N LYS A 46 -8.183 -2.789 6.379 1.00 0.85 N ATOM 677 CA LYS A 46 -9.380 -3.324 7.093 1.00 0.82 C ATOM 678 C LYS A 46 -10.314 -4.038 6.109 1.00 0.63 C ATOM 679 O LYS A 46 -11.334 -4.572 6.498 1.00 0.90 O ATOM 680 CB LYS A 46 -10.126 -2.165 7.752 1.00 1.09 C ATOM 681 CG LYS A 46 -9.186 -1.455 8.729 1.00 0.60 C ATOM 682 CD LYS A 46 -10.017 -0.692 9.762 1.00 1.13 C ATOM 683 CE LYS A 46 -10.206 -1.570 11.001 1.00 1.93 C ATOM 684 NZ LYS A 46 -10.492 -2.977 10.605 1.00 2.79 N ATOM 0 H LYS A 46 -8.062 -1.777 6.422 1.00 0.85 H new ATOM 0 HA LYS A 46 -9.055 -4.039 7.849 1.00 0.82 H new ATOM 0 HB2 LYS A 46 -10.479 -1.466 6.994 1.00 1.09 H new ATOM 0 HB3 LYS A 46 -11.006 -2.535 8.278 1.00 1.09 H new ATOM 0 HG2 LYS A 46 -8.543 -2.181 9.226 1.00 0.60 H new ATOM 0 HG3 LYS A 46 -8.534 -0.768 8.190 1.00 0.60 H new ATOM 0 HD2 LYS A 46 -9.518 0.238 10.033 1.00 1.13 H new ATOM 0 HD3 LYS A 46 -10.986 -0.423 9.341 1.00 1.13 H new ATOM 0 HE2 LYS A 46 -9.309 -1.535 11.619 1.00 1.93 H new ATOM 0 HE3 LYS A 46 -11.025 -1.183 11.607 1.00 1.93 H new ATOM 0 HZ1 LYS A 46 -10.668 -3.548 11.456 1.00 2.79 H new ATOM 0 HZ2 LYS A 46 -11.332 -3.001 9.992 1.00 2.79 H new ATOM 0 HZ3 LYS A 46 -9.676 -3.365 10.090 1.00 2.79 H new ATOM 698 N HIS A 47 -9.943 -4.032 4.857 1.00 0.29 N ATOM 699 CA HIS A 47 -10.799 -4.705 3.834 1.00 0.33 C ATOM 700 C HIS A 47 -10.247 -6.098 3.510 1.00 0.48 C ATOM 701 O HIS A 47 -10.966 -7.077 3.545 1.00 0.72 O ATOM 702 CB HIS A 47 -10.817 -3.858 2.563 1.00 0.37 C ATOM 703 CG HIS A 47 -12.150 -4.062 1.840 1.00 0.35 C ATOM 704 ND1 HIS A 47 -13.244 -3.567 2.199 1.00 0.30 N ATOM 705 CD2 HIS A 47 -12.434 -4.790 0.700 1.00 0.42 C ATOM 706 CE1 HIS A 47 -14.184 -3.906 1.411 1.00 0.34 C ATOM 707 NE2 HIS A 47 -13.757 -4.688 0.423 1.00 0.43 N ATOM 0 H HIS A 47 -9.093 -3.595 4.499 1.00 0.29 H new ATOM 0 HA HIS A 47 -11.810 -4.811 4.228 1.00 0.33 H new ATOM 0 HB2 HIS A 47 -10.682 -2.805 2.811 1.00 0.37 H new ATOM 0 HB3 HIS A 47 -9.990 -4.140 1.912 1.00 0.37 H new ATOM 0 HD2 HIS A 47 -11.715 -5.351 0.121 1.00 0.42 H new ATOM 0 HE1 HIS A 47 -15.211 -3.594 1.531 1.00 0.34 H new ATOM 0 HE2 HIS A 47 -14.287 -5.103 -0.343 1.00 0.43 H new ATOM 715 N LEU A 48 -8.981 -6.157 3.202 1.00 0.52 N ATOM 716 CA LEU A 48 -8.367 -7.477 2.871 1.00 0.75 C ATOM 717 C LEU A 48 -8.672 -8.495 3.975 1.00 0.73 C ATOM 718 O LEU A 48 -9.608 -9.262 3.874 1.00 0.94 O ATOM 719 CB LEU A 48 -6.855 -7.307 2.738 1.00 0.86 C ATOM 720 CG LEU A 48 -6.514 -6.966 1.285 1.00 0.95 C ATOM 721 CD1 LEU A 48 -5.179 -6.220 1.243 1.00 1.03 C ATOM 722 CD2 LEU A 48 -6.391 -8.262 0.480 1.00 1.22 C ATOM 0 H LEU A 48 -8.349 -5.358 3.165 1.00 0.52 H new ATOM 0 HA LEU A 48 -8.784 -7.841 1.932 1.00 0.75 H new ATOM 0 HB2 LEU A 48 -6.506 -6.516 3.402 1.00 0.86 H new ATOM 0 HB3 LEU A 48 -6.346 -8.223 3.039 1.00 0.86 H new ATOM 0 HG LEU A 48 -7.299 -6.341 0.860 1.00 0.95 H new ATOM 0 HD11 LEU A 48 -4.932 -5.975 0.210 1.00 1.03 H new ATOM 0 HD12 LEU A 48 -5.257 -5.302 1.825 1.00 1.03 H new ATOM 0 HD13 LEU A 48 -4.396 -6.851 1.664 1.00 1.03 H new ATOM 0 HD21 LEU A 48 -6.148 -8.025 -0.556 1.00 1.22 H new ATOM 0 HD22 LEU A 48 -5.601 -8.881 0.905 1.00 1.22 H new ATOM 0 HD23 LEU A 48 -7.336 -8.804 0.516 1.00 1.22 H new ATOM 734 N ALA A 49 -7.872 -8.479 5.007 1.00 1.64 N ATOM 735 CA ALA A 49 -8.100 -9.440 6.125 1.00 1.67 C ATOM 736 C ALA A 49 -9.535 -9.318 6.648 1.00 0.76 C ATOM 737 O ALA A 49 -10.268 -8.432 6.253 1.00 1.46 O ATOM 738 CB ALA A 49 -7.119 -9.132 7.255 1.00 3.09 C ATOM 0 H ALA A 49 -7.078 -7.849 5.124 1.00 1.64 H new ATOM 0 HA ALA A 49 -7.945 -10.456 5.761 1.00 1.67 H new ATOM 0 HB1 ALA A 49 -7.279 -9.830 8.076 1.00 3.09 H new ATOM 0 HB2 ALA A 49 -6.098 -9.232 6.888 1.00 3.09 H new ATOM 0 HB3 ALA A 49 -7.279 -8.113 7.608 1.00 3.09 H new ATOM 744 N LYS A 50 -9.904 -10.210 7.524 1.00 0.74 N ATOM 745 CA LYS A 50 -11.287 -10.161 8.084 1.00 1.80 C ATOM 746 C LYS A 50 -11.300 -10.721 9.511 1.00 2.53 C ATOM 747 O LYS A 50 -12.088 -10.305 10.337 1.00 3.59 O ATOM 748 CB LYS A 50 -12.213 -10.995 7.201 1.00 2.35 C ATOM 749 CG LYS A 50 -13.665 -10.713 7.590 1.00 3.88 C ATOM 750 CD LYS A 50 -14.592 -11.572 6.727 1.00 5.07 C ATOM 751 CE LYS A 50 -16.006 -11.529 7.311 1.00 6.47 C ATOM 752 NZ LYS A 50 -17.021 -11.583 6.223 1.00 7.68 N ATOM 0 H LYS A 50 -9.315 -10.965 7.875 1.00 0.74 H new ATOM 0 HA LYS A 50 -11.629 -9.126 8.109 1.00 1.80 H new ATOM 0 HB2 LYS A 50 -12.051 -10.751 6.151 1.00 2.35 H new ATOM 0 HB3 LYS A 50 -11.991 -12.056 7.320 1.00 2.35 H new ATOM 0 HG2 LYS A 50 -13.821 -10.935 8.646 1.00 3.88 H new ATOM 0 HG3 LYS A 50 -13.893 -9.656 7.450 1.00 3.88 H new ATOM 0 HD2 LYS A 50 -14.598 -11.204 5.701 1.00 5.07 H new ATOM 0 HD3 LYS A 50 -14.230 -12.600 6.695 1.00 5.07 H new ATOM 0 HE2 LYS A 50 -16.150 -12.367 7.993 1.00 6.47 H new ATOM 0 HE3 LYS A 50 -16.137 -10.618 7.894 1.00 6.47 H new ATOM 0 HZ1 LYS A 50 -17.975 -11.553 6.636 1.00 7.68 H new ATOM 0 HZ2 LYS A 50 -16.893 -10.769 5.588 1.00 7.68 H new ATOM 0 HZ3 LYS A 50 -16.905 -12.465 5.684 1.00 7.68 H new ATOM 766 N ALA A 51 -10.425 -11.654 9.768 1.00 2.45 N ATOM 767 CA ALA A 51 -10.371 -12.252 11.135 1.00 3.63 C ATOM 768 C ALA A 51 -8.960 -12.773 11.430 1.00 3.99 C ATOM 769 O ALA A 51 -8.522 -12.546 12.546 1.00 4.91 O ATOM 770 CB ALA A 51 -11.367 -13.408 11.214 1.00 4.43 C ATOM 771 OXT ALA A 51 -8.403 -13.368 10.523 1.00 3.62 O ATOM 0 H ALA A 51 -9.751 -12.026 9.099 1.00 2.45 H new ATOM 0 HA ALA A 51 -10.626 -11.489 11.871 1.00 3.63 H new ATOM 0 HB1 ALA A 51 -11.333 -13.850 12.210 1.00 4.43 H new ATOM 0 HB2 ALA A 51 -12.372 -13.036 11.016 1.00 4.43 H new ATOM 0 HB3 ALA A 51 -11.107 -14.164 10.473 1.00 4.43 H new TER 777 ALA A 51