USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 359 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 5 THR OG1 : rot 180:sc= -0.551 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -120:sc= -1.95! (180deg=-5.39!) USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.0811 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 124:sc= -1.18 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00848 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.14! F(o=-2.7,f=-1.1!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0493 F(o=-2.4,f=-0.049) USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= 0.873 (180deg=-1.38!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 110:sc= 0.82 USER MOD Single : A 53 ASN : amide:sc= -1.15 K(o=-1.1,f=-8.1!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.341 -14.090 -4.030 1.00 0.00 N ATOM 2 CA ALA A 1 3.523 -13.643 -2.874 1.00 0.00 C ATOM 3 C ALA A 1 2.101 -13.294 -3.310 1.00 0.00 C ATOM 4 O ALA A 1 1.823 -13.165 -4.502 1.00 0.00 O ATOM 5 CB ALA A 1 4.175 -12.443 -2.197 1.00 0.00 C ATOM 0 H1 ALA A 1 4.719 -15.040 -3.841 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.749 -14.117 -4.885 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.129 -13.427 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 1 3.468 -14.465 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.564 -12.126 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.168 -12.720 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.259 -11.624 -2.911 1.00 0.00 H new ATOM 13 N PRO A 2 1.184 -13.136 -2.341 1.00 0.00 N ATOM 14 CA PRO A 2 -0.216 -12.791 -2.622 1.00 0.00 C ATOM 15 C PRO A 2 -0.333 -11.441 -3.314 1.00 0.00 C ATOM 16 O PRO A 2 0.626 -10.686 -3.383 1.00 0.00 O ATOM 17 CB PRO A 2 -0.863 -12.814 -1.226 1.00 0.00 C ATOM 18 CG PRO A 2 0.258 -12.583 -0.279 1.00 0.00 C ATOM 19 CD PRO A 2 1.443 -13.264 -0.893 1.00 0.00 C ATOM 0 HA PRO A 2 -0.706 -13.476 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.625 -12.041 -1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.352 -13.769 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.444 -11.518 -0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.033 -12.996 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.378 -12.784 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.513 -14.307 -0.586 1.00 0.00 H new ATOM 24 N TRP A 3 -1.503 -11.156 -3.845 1.00 0.00 N ATOM 25 CA TRP A 3 -1.722 -9.915 -4.573 1.00 0.00 C ATOM 26 C TRP A 3 -3.038 -9.264 -4.180 1.00 0.00 C ATOM 27 O TRP A 3 -3.934 -9.913 -3.640 1.00 0.00 O ATOM 28 CB TRP A 3 -1.707 -10.220 -6.062 1.00 0.00 C ATOM 29 CG TRP A 3 -2.863 -11.040 -6.492 1.00 0.00 C ATOM 30 CD1 TRP A 3 -2.956 -12.396 -6.610 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.105 -10.516 -6.865 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.217 -12.733 -7.052 1.00 0.00 N ATOM 33 CE2 TRP A 3 -4.942 -11.579 -7.219 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.574 -9.227 -6.929 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.252 -11.369 -7.646 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.844 -9.013 -7.344 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.684 -10.066 -7.707 1.00 0.00 C ATOM 0 H TRP A 3 -2.320 -11.764 -3.789 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.928 -9.211 -4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.704 -9.284 -6.620 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.784 -10.743 -6.312 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.164 -13.097 -6.391 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.555 -13.680 -7.226 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.940 -8.398 -6.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -6.897 -12.192 -7.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.217 -8.001 -7.396 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.689 -9.854 -8.041 1.00 0.00 H new ATOM 47 N ALA A 4 -3.141 -7.959 -4.462 1.00 0.00 N ATOM 48 CA ALA A 4 -4.342 -7.222 -4.112 1.00 0.00 C ATOM 49 C ALA A 4 -4.706 -6.127 -5.107 1.00 0.00 C ATOM 50 O ALA A 4 -3.890 -5.705 -5.926 1.00 0.00 O ATOM 51 CB ALA A 4 -4.207 -6.601 -2.731 1.00 0.00 C ATOM 0 H ALA A 4 -2.417 -7.408 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.146 -7.958 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.117 -6.053 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.048 -7.387 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.358 -5.917 -2.721 1.00 0.00 H new ATOM 57 N THR A 5 -5.941 -5.686 -5.015 1.00 0.00 N ATOM 58 CA THR A 5 -6.456 -4.623 -5.858 1.00 0.00 C ATOM 59 C THR A 5 -6.827 -3.436 -5.004 1.00 0.00 C ATOM 60 O THR A 5 -7.235 -3.597 -3.854 1.00 0.00 O ATOM 61 CB THR A 5 -7.709 -5.062 -6.643 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.476 -6.315 -7.287 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.094 -4.024 -7.683 1.00 0.00 C ATOM 0 H THR A 5 -6.622 -6.055 -4.351 1.00 0.00 H new ATOM 0 HA THR A 5 -5.671 -4.366 -6.570 1.00 0.00 H new ATOM 0 HB THR A 5 -8.529 -5.165 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.279 -6.584 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.980 -4.360 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.307 -3.076 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.272 -3.891 -8.386 1.00 0.00 H new ATOM 71 N ALA A 6 -6.688 -2.239 -5.555 1.00 0.00 N ATOM 72 CA ALA A 6 -7.025 -1.024 -4.829 1.00 0.00 C ATOM 73 C ALA A 6 -8.522 -0.759 -4.891 1.00 0.00 C ATOM 74 O ALA A 6 -9.166 -0.968 -5.920 1.00 0.00 O ATOM 75 CB ALA A 6 -6.251 0.168 -5.382 1.00 0.00 C ATOM 0 H ALA A 6 -6.344 -2.083 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.742 -1.164 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.518 1.066 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.181 -0.015 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.500 0.307 -6.434 1.00 0.00 H new ATOM 81 N GLU A 7 -9.064 -0.299 -3.773 1.00 0.00 N ATOM 82 CA GLU A 7 -10.479 0.024 -3.673 1.00 0.00 C ATOM 83 C GLU A 7 -10.691 1.525 -3.466 1.00 0.00 C ATOM 84 O GLU A 7 -11.802 2.035 -3.606 1.00 0.00 O ATOM 85 CB GLU A 7 -11.126 -0.720 -2.504 1.00 0.00 C ATOM 86 CG GLU A 7 -10.873 -2.218 -2.522 1.00 0.00 C ATOM 87 CD GLU A 7 -11.828 -2.959 -3.439 1.00 0.00 C ATOM 88 OE1 GLU A 7 -11.932 -2.575 -4.622 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.472 -3.922 -2.971 1.00 0.00 O ATOM 0 H GLU A 7 -8.538 -0.140 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.943 -0.283 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.749 -0.307 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.201 -0.541 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.848 -2.406 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.968 -2.611 -1.510 1.00 0.00 H new ATOM 94 N TYR A 8 -9.603 2.223 -3.131 1.00 0.00 N ATOM 95 CA TYR A 8 -9.607 3.661 -2.897 1.00 0.00 C ATOM 96 C TYR A 8 -8.296 4.251 -3.376 1.00 0.00 C ATOM 97 O TYR A 8 -7.246 3.624 -3.238 1.00 0.00 O ATOM 98 CB TYR A 8 -9.760 3.917 -1.409 1.00 0.00 C ATOM 99 CG TYR A 8 -10.917 3.174 -0.828 1.00 0.00 C ATOM 100 CD1 TYR A 8 -12.182 3.728 -0.832 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.748 1.908 -0.298 1.00 0.00 C ATOM 102 CE1 TYR A 8 -13.255 3.043 -0.321 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.812 1.212 0.219 1.00 0.00 C ATOM 104 CZ TYR A 8 -13.071 1.780 0.207 1.00 0.00 C ATOM 105 OH TYR A 8 -14.142 1.087 0.721 1.00 0.00 O ATOM 0 H TYR A 8 -8.684 1.795 -3.014 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.432 4.123 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.845 3.622 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.892 4.985 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.329 4.716 -1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.765 1.461 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.239 3.489 -0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.666 0.225 0.633 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.840 0.215 1.051 1.00 0.00 H new ATOM 114 N ASP A 9 -8.340 5.444 -3.935 1.00 0.00 N ATOM 115 CA ASP A 9 -7.158 6.131 -4.443 1.00 0.00 C ATOM 116 C ASP A 9 -6.231 6.442 -3.275 1.00 0.00 C ATOM 117 O ASP A 9 -6.301 7.519 -2.687 1.00 0.00 O ATOM 118 CB ASP A 9 -7.628 7.411 -5.136 1.00 0.00 C ATOM 119 CG ASP A 9 -6.500 8.391 -5.404 1.00 0.00 C ATOM 120 OD1 ASP A 9 -5.325 7.970 -5.358 1.00 0.00 O ATOM 121 OD2 ASP A 9 -6.792 9.579 -5.657 1.00 0.00 O ATOM 0 H ASP A 9 -9.204 5.973 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.609 5.517 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.108 7.151 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.383 7.896 -4.517 1.00 0.00 H new ATOM 125 N TYR A 10 -5.348 5.496 -2.955 1.00 0.00 N ATOM 126 CA TYR A 10 -4.455 5.651 -1.807 1.00 0.00 C ATOM 127 C TYR A 10 -3.264 6.546 -2.108 1.00 0.00 C ATOM 128 O TYR A 10 -2.548 6.341 -3.088 1.00 0.00 O ATOM 129 CB TYR A 10 -3.968 4.296 -1.305 1.00 0.00 C ATOM 130 CG TYR A 10 -3.058 4.417 -0.113 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.362 5.297 0.915 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.893 3.671 -0.018 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.534 5.429 2.007 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.058 3.798 1.073 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.385 4.678 2.082 1.00 0.00 C ATOM 136 OH TYR A 10 -0.560 4.813 3.167 1.00 0.00 O ATOM 0 H TYR A 10 -5.232 4.623 -3.469 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.043 6.135 -1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.827 3.680 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.442 3.782 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.264 5.889 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.636 2.981 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.786 6.118 2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.153 3.211 1.136 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.432 3.939 3.592 1.00 0.00 H new ATOM 145 N ASP A 11 -3.063 7.547 -1.255 1.00 0.00 N ATOM 146 CA ASP A 11 -1.942 8.453 -1.442 1.00 0.00 C ATOM 147 C ASP A 11 -0.953 8.431 -0.251 1.00 0.00 C ATOM 148 O ASP A 11 -0.796 9.440 0.436 1.00 0.00 O ATOM 149 CB ASP A 11 -2.529 9.854 -1.620 1.00 0.00 C ATOM 150 CG ASP A 11 -1.495 10.965 -1.582 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.441 10.817 -2.236 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.739 11.980 -0.897 1.00 0.00 O ATOM 0 H ASP A 11 -3.650 7.746 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.366 8.142 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.059 9.897 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.266 10.030 -0.837 1.00 0.00 H new ATOM 156 N ALA A 12 -0.312 7.267 -0.013 1.00 0.00 N ATOM 157 CA ALA A 12 0.713 7.070 1.047 1.00 0.00 C ATOM 158 C ALA A 12 0.812 8.234 2.042 1.00 0.00 C ATOM 159 O ALA A 12 1.399 9.271 1.735 1.00 0.00 O ATOM 160 CB ALA A 12 2.061 6.853 0.386 1.00 0.00 C ATOM 0 H ALA A 12 -0.491 6.423 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 12 0.406 6.200 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.823 6.707 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.015 5.971 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.315 7.725 -0.217 1.00 0.00 H new ATOM 166 N ALA A 13 0.241 8.057 3.222 1.00 0.00 N ATOM 167 CA ALA A 13 0.241 9.074 4.275 1.00 0.00 C ATOM 168 C ALA A 13 1.611 9.293 4.979 1.00 0.00 C ATOM 169 O ALA A 13 1.851 10.394 5.476 1.00 0.00 O ATOM 170 CB ALA A 13 -0.779 8.679 5.312 1.00 0.00 C ATOM 0 H ALA A 13 -0.242 7.197 3.484 1.00 0.00 H new ATOM 0 HA ALA A 13 0.005 10.020 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.796 9.424 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.764 8.620 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.515 7.708 5.730 1.00 0.00 H new ATOM 176 N GLU A 14 2.509 8.304 5.039 1.00 0.00 N ATOM 177 CA GLU A 14 3.780 8.493 5.791 1.00 0.00 C ATOM 178 C GLU A 14 5.101 8.542 4.996 1.00 0.00 C ATOM 179 O GLU A 14 6.144 8.727 5.614 1.00 0.00 O ATOM 180 CB GLU A 14 3.959 7.371 6.816 1.00 0.00 C ATOM 181 CG GLU A 14 3.248 7.636 8.132 1.00 0.00 C ATOM 182 CD GLU A 14 3.747 8.893 8.819 1.00 0.00 C ATOM 183 OE1 GLU A 14 4.892 8.880 9.321 1.00 0.00 O ATOM 184 OE2 GLU A 14 2.996 9.889 8.854 1.00 0.00 O ATOM 0 H GLU A 14 2.399 7.391 4.597 1.00 0.00 H new ATOM 0 HA GLU A 14 3.636 9.488 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.586 6.439 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.023 7.231 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.177 7.726 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.389 6.783 8.796 1.00 0.00 H new ATOM 189 N ASP A 15 5.074 8.369 3.685 1.00 0.00 N ATOM 190 CA ASP A 15 6.289 8.418 2.831 1.00 0.00 C ATOM 191 C ASP A 15 6.685 6.991 2.476 1.00 0.00 C ATOM 192 O ASP A 15 6.628 6.636 1.296 1.00 0.00 O ATOM 193 CB ASP A 15 7.447 9.246 3.433 1.00 0.00 C ATOM 194 CG ASP A 15 8.436 8.435 4.251 1.00 0.00 C ATOM 195 OD1 ASP A 15 9.135 7.581 3.665 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.524 8.667 5.476 1.00 0.00 O ATOM 0 H ASP A 15 4.215 8.189 3.164 1.00 0.00 H new ATOM 0 HA ASP A 15 6.049 8.961 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.983 9.741 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.028 10.030 4.064 1.00 0.00 H new ATOM 200 N ASN A 16 7.088 6.147 3.450 1.00 0.00 N ATOM 201 CA ASN A 16 7.421 4.796 3.007 1.00 0.00 C ATOM 202 C ASN A 16 6.191 3.923 3.167 1.00 0.00 C ATOM 203 O ASN A 16 6.191 2.925 3.891 1.00 0.00 O ATOM 204 CB ASN A 16 8.424 4.318 4.065 1.00 0.00 C ATOM 205 CG ASN A 16 9.430 3.332 3.507 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.244 2.781 2.422 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.507 3.107 4.249 1.00 0.00 N ATOM 0 H ASN A 16 7.182 6.352 4.445 1.00 0.00 H new ATOM 0 HA ASN A 16 7.782 4.760 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.953 5.179 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.884 3.853 4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.222 2.455 3.926 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.620 3.586 5.142 1.00 0.00 H new ATOM 213 N GLU A 17 5.150 4.306 2.479 1.00 0.00 N ATOM 214 CA GLU A 17 3.987 3.522 2.254 1.00 0.00 C ATOM 215 C GLU A 17 3.927 3.294 0.755 1.00 0.00 C ATOM 216 O GLU A 17 4.704 3.907 0.023 1.00 0.00 O ATOM 217 CB GLU A 17 2.765 4.232 2.803 1.00 0.00 C ATOM 218 CG GLU A 17 2.761 4.206 4.327 1.00 0.00 C ATOM 219 CD GLU A 17 1.716 5.109 4.944 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.231 6.016 4.244 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.393 4.918 6.135 1.00 0.00 O ATOM 0 H GLU A 17 5.097 5.225 2.040 1.00 0.00 H new ATOM 0 HA GLU A 17 4.017 2.562 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.751 5.264 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.861 3.755 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.591 3.184 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.745 4.502 4.690 1.00 0.00 H new ATOM 226 N LEU A 18 3.052 2.456 0.268 1.00 0.00 N ATOM 227 CA LEU A 18 2.908 2.320 -1.166 1.00 0.00 C ATOM 228 C LEU A 18 1.809 3.298 -1.526 1.00 0.00 C ATOM 229 O LEU A 18 1.191 3.897 -0.646 1.00 0.00 O ATOM 230 CB LEU A 18 2.543 0.887 -1.569 1.00 0.00 C ATOM 231 CG LEU A 18 2.610 0.567 -3.070 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.765 1.286 -3.754 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.741 -0.932 -3.278 1.00 0.00 C ATOM 0 H LEU A 18 2.436 1.865 0.826 1.00 0.00 H new ATOM 0 HA LEU A 18 3.838 2.530 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.209 0.203 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.532 0.680 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 18 1.684 0.921 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.775 1.032 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.641 2.363 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.706 0.979 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.788 -1.149 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.651 -1.288 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.878 -1.436 -2.843 1.00 0.00 H new ATOM 244 N THR A 19 1.559 3.464 -2.808 1.00 0.00 N ATOM 245 CA THR A 19 0.599 4.451 -3.243 1.00 0.00 C ATOM 246 C THR A 19 -0.044 3.999 -4.524 1.00 0.00 C ATOM 247 O THR A 19 0.649 3.636 -5.475 1.00 0.00 O ATOM 248 CB THR A 19 1.278 5.810 -3.470 1.00 0.00 C ATOM 249 OG1 THR A 19 2.643 5.759 -3.036 1.00 0.00 O ATOM 250 CG2 THR A 19 0.541 6.890 -2.716 1.00 0.00 C ATOM 0 H THR A 19 2.003 2.934 -3.558 1.00 0.00 H new ATOM 0 HA THR A 19 -0.157 4.562 -2.465 1.00 0.00 H new ATOM 0 HB THR A 19 1.253 6.040 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.067 6.630 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.030 7.849 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.489 6.942 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.549 6.660 -1.651 1.00 0.00 H new ATOM 258 N PHE A 20 -1.353 4.011 -4.567 1.00 0.00 N ATOM 259 CA PHE A 20 -2.038 3.544 -5.750 1.00 0.00 C ATOM 260 C PHE A 20 -3.377 4.233 -5.939 1.00 0.00 C ATOM 261 O PHE A 20 -3.859 4.966 -5.075 1.00 0.00 O ATOM 262 CB PHE A 20 -2.198 2.018 -5.694 1.00 0.00 C ATOM 263 CG PHE A 20 -2.241 1.496 -4.288 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.374 1.673 -3.519 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.138 0.870 -3.727 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.415 1.236 -2.213 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.174 0.422 -2.420 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.314 0.608 -1.659 1.00 0.00 C ATOM 0 H PHE A 20 -1.958 4.333 -3.812 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.430 3.801 -6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.113 1.733 -6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.371 1.549 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.238 2.160 -3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.244 0.731 -4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.307 1.384 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.314 -0.072 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.344 0.264 -0.636 1.00 0.00 H new ATOM 277 N VAL A 21 -3.955 3.975 -7.089 1.00 0.00 N ATOM 278 CA VAL A 21 -5.247 4.530 -7.452 1.00 0.00 C ATOM 279 C VAL A 21 -6.200 3.414 -7.798 1.00 0.00 C ATOM 280 O VAL A 21 -5.822 2.497 -8.518 1.00 0.00 O ATOM 281 CB VAL A 21 -5.147 5.496 -8.634 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.731 6.872 -8.146 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.172 4.960 -9.663 1.00 0.00 C ATOM 0 H VAL A 21 -3.545 3.374 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.616 5.091 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.124 5.586 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.662 7.553 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.471 7.246 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.760 6.806 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.108 5.655 -10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.188 4.848 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.518 3.991 -10.022 1.00 0.00 H new ATOM 293 N GLU A 22 -7.428 3.478 -7.273 1.00 0.00 N ATOM 294 CA GLU A 22 -8.457 2.476 -7.486 1.00 0.00 C ATOM 295 C GLU A 22 -8.255 1.612 -8.714 1.00 0.00 C ATOM 296 O GLU A 22 -7.803 2.061 -9.768 1.00 0.00 O ATOM 297 CB GLU A 22 -9.814 3.142 -7.597 1.00 0.00 C ATOM 298 CG GLU A 22 -10.944 2.255 -7.137 1.00 0.00 C ATOM 299 CD GLU A 22 -12.207 2.434 -7.956 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.881 3.473 -7.787 1.00 0.00 O ATOM 301 OE2 GLU A 22 -12.523 1.537 -8.765 1.00 0.00 O ATOM 0 H GLU A 22 -7.733 4.247 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.394 1.818 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.813 4.057 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.986 3.433 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.627 1.214 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.163 2.467 -6.091 1.00 0.00 H new ATOM 306 N ASN A 23 -8.651 0.372 -8.550 1.00 0.00 N ATOM 307 CA ASN A 23 -8.499 -0.582 -9.628 1.00 0.00 C ATOM 308 C ASN A 23 -7.017 -0.829 -9.942 1.00 0.00 C ATOM 309 O ASN A 23 -6.698 -1.559 -10.880 1.00 0.00 O ATOM 310 CB ASN A 23 -9.226 -0.095 -10.879 1.00 0.00 C ATOM 311 CG ASN A 23 -10.551 0.568 -10.566 1.00 0.00 C ATOM 312 OD1 ASN A 23 -10.581 1.893 -10.647 1.00 0.00 O flip ATOM 313 ND2 ASN A 23 -11.537 -0.103 -10.258 1.00 0.00 N flip ATOM 0 H ASN A 23 -9.073 0.003 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.942 -1.524 -9.306 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.589 0.610 -11.413 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.396 -0.939 -11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.467 -1.119 -10.208 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.424 0.358 -10.053 1.00 0.00 H new ATOM 319 N ASP A 24 -6.103 -0.223 -9.160 1.00 0.00 N ATOM 320 CA ASP A 24 -4.677 -0.419 -9.386 1.00 0.00 C ATOM 321 C ASP A 24 -4.302 -1.765 -8.828 1.00 0.00 C ATOM 322 O ASP A 24 -4.658 -2.124 -7.706 1.00 0.00 O ATOM 323 CB ASP A 24 -3.828 0.677 -8.735 1.00 0.00 C ATOM 324 CG ASP A 24 -3.532 1.821 -9.686 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.240 1.942 -10.709 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.594 2.596 -9.407 1.00 0.00 O ATOM 0 H ASP A 24 -6.331 0.395 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.480 -0.369 -10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.348 1.063 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.890 0.246 -8.386 1.00 0.00 H new ATOM 330 N LYS A 25 -3.577 -2.504 -9.639 1.00 0.00 N ATOM 331 CA LYS A 25 -3.166 -3.834 -9.280 1.00 0.00 C ATOM 332 C LYS A 25 -1.976 -3.834 -8.321 1.00 0.00 C ATOM 333 O LYS A 25 -1.038 -3.053 -8.480 1.00 0.00 O ATOM 334 CB LYS A 25 -2.824 -4.584 -10.549 1.00 0.00 C ATOM 335 CG LYS A 25 -2.472 -6.006 -10.275 1.00 0.00 C ATOM 336 CD LYS A 25 -3.679 -6.904 -10.383 1.00 0.00 C ATOM 337 CE LYS A 25 -4.317 -7.118 -9.050 1.00 0.00 C ATOM 338 NZ LYS A 25 -5.379 -6.117 -8.762 1.00 0.00 N ATOM 0 H LYS A 25 -3.260 -2.198 -10.559 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.986 -4.324 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.671 -4.545 -11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.989 -4.093 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.708 -6.335 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.043 -6.090 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.403 -6.463 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.384 -7.864 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.746 -8.119 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.554 -7.068 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.132 -5.586 -7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.463 -5.459 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.286 -6.605 -8.619 1.00 0.00 H new ATOM 348 N ILE A 26 -2.022 -4.718 -7.320 1.00 0.00 N ATOM 349 CA ILE A 26 -0.935 -4.852 -6.354 1.00 0.00 C ATOM 350 C ILE A 26 -0.540 -6.323 -6.247 1.00 0.00 C ATOM 351 O ILE A 26 -1.406 -7.194 -6.270 1.00 0.00 O ATOM 352 CB ILE A 26 -1.350 -4.355 -4.955 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.844 -2.911 -5.025 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.184 -4.469 -3.986 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.828 -2.556 -3.932 1.00 0.00 C ATOM 0 H ILE A 26 -2.805 -5.352 -7.160 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.100 -4.245 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.165 -4.982 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.988 -2.239 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.313 -2.743 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.492 -4.114 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.129 -5.511 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.648 -3.864 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.136 -1.516 -4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.702 -3.203 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.356 -2.692 -2.959 1.00 0.00 H new ATOM 366 N ILE A 27 0.748 -6.606 -6.117 1.00 0.00 N ATOM 367 CA ILE A 27 1.199 -7.994 -6.035 1.00 0.00 C ATOM 368 C ILE A 27 2.407 -8.134 -5.130 1.00 0.00 C ATOM 369 O ILE A 27 2.944 -7.152 -4.628 1.00 0.00 O ATOM 370 CB ILE A 27 1.464 -8.576 -7.442 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.483 -7.758 -8.213 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.183 -8.703 -8.255 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.018 -8.508 -9.399 1.00 0.00 C ATOM 0 H ILE A 27 1.491 -5.909 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 27 0.396 -8.579 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 27 1.873 -9.574 -7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.024 -6.828 -8.548 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.307 -7.487 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.415 -9.116 -9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.512 -9.365 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.272 -7.720 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.744 -7.888 -9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.500 -9.425 -9.062 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.198 -8.756 -10.073 1.00 0.00 H new ATOM 384 N ASN A 28 2.816 -9.375 -4.920 1.00 0.00 N ATOM 385 CA ASN A 28 3.924 -9.679 -4.041 1.00 0.00 C ATOM 386 C ASN A 28 3.637 -9.120 -2.656 1.00 0.00 C ATOM 387 O ASN A 28 4.487 -8.497 -2.021 1.00 0.00 O ATOM 388 CB ASN A 28 5.247 -9.131 -4.574 1.00 0.00 C ATOM 389 CG ASN A 28 5.674 -9.783 -5.870 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.886 -9.582 -6.916 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.702 -10.458 -5.932 1.00 0.00 N flip ATOM 0 H ASN A 28 2.389 -10.193 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 28 4.027 -10.763 -3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.154 -8.056 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.024 -9.280 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.279 -10.586 -5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.977 -10.889 -6.815 1.00 0.00 H new ATOM 397 N ILE A 29 2.409 -9.367 -2.208 1.00 0.00 N ATOM 398 CA ILE A 29 1.921 -8.850 -0.941 1.00 0.00 C ATOM 399 C ILE A 29 2.505 -9.575 0.254 1.00 0.00 C ATOM 400 O ILE A 29 1.775 -10.255 0.977 1.00 0.00 O ATOM 401 CB ILE A 29 0.392 -8.883 -0.897 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.120 -7.961 -1.995 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.122 -8.454 0.477 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.595 -7.716 -1.943 1.00 0.00 C ATOM 0 H ILE A 29 1.728 -9.931 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 29 2.257 -7.815 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 29 0.027 -9.897 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.400 -7.005 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.133 -8.391 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.212 -8.485 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.265 -9.131 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.213 -7.439 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.882 -7.050 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.125 -8.663 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.854 -7.256 -0.989 1.00 0.00 H new ATOM 415 N GLU A 30 3.793 -9.457 0.482 1.00 0.00 N ATOM 416 CA GLU A 30 4.343 -10.111 1.657 1.00 0.00 C ATOM 417 C GLU A 30 3.700 -9.580 2.918 1.00 0.00 C ATOM 418 O GLU A 30 3.058 -8.542 2.888 1.00 0.00 O ATOM 419 CB GLU A 30 5.867 -10.030 1.690 1.00 0.00 C ATOM 420 CG GLU A 30 6.520 -10.672 0.481 1.00 0.00 C ATOM 421 CD GLU A 30 6.926 -12.111 0.729 1.00 0.00 C ATOM 422 OE1 GLU A 30 7.279 -12.437 1.882 1.00 0.00 O ATOM 423 OE2 GLU A 30 6.888 -12.912 -0.229 1.00 0.00 O ATOM 0 H GLU A 30 4.456 -8.941 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 30 4.101 -11.172 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.169 -8.984 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.232 -10.517 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.830 -10.634 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.400 -10.094 0.199 1.00 0.00 H new ATOM 428 N PHE A 31 3.906 -10.268 4.030 1.00 0.00 N ATOM 429 CA PHE A 31 3.283 -9.816 5.269 1.00 0.00 C ATOM 430 C PHE A 31 4.299 -9.301 6.269 1.00 0.00 C ATOM 431 O PHE A 31 4.402 -9.794 7.392 1.00 0.00 O ATOM 432 CB PHE A 31 2.429 -10.930 5.877 1.00 0.00 C ATOM 433 CG PHE A 31 1.293 -11.360 4.983 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.218 -10.513 4.722 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.304 -12.615 4.396 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.815 -10.916 3.896 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.272 -13.021 3.570 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.787 -12.171 3.320 1.00 0.00 C ATOM 0 H PHE A 31 4.477 -11.110 4.105 1.00 0.00 H new ATOM 0 HA PHE A 31 2.635 -8.976 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.063 -11.791 6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.024 -10.590 6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.191 -9.531 5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.129 -13.285 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.643 -10.250 3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.294 -14.003 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.593 -12.487 2.674 1.00 0.00 H new ATOM 447 N VAL A 32 5.043 -8.296 5.839 1.00 0.00 N ATOM 448 CA VAL A 32 6.032 -7.645 6.680 1.00 0.00 C ATOM 449 C VAL A 32 5.377 -7.231 8.001 1.00 0.00 C ATOM 450 O VAL A 32 6.012 -7.283 9.054 1.00 0.00 O ATOM 451 CB VAL A 32 6.578 -6.399 5.948 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.432 -6.811 4.760 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.425 -5.513 5.497 1.00 0.00 C ATOM 0 H VAL A 32 4.978 -7.909 4.898 1.00 0.00 H new ATOM 0 HA VAL A 32 6.854 -8.330 6.887 1.00 0.00 H new ATOM 0 HB VAL A 32 7.205 -5.833 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.808 -5.921 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.271 -7.414 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.830 -7.395 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.819 -4.637 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.780 -6.072 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.849 -5.194 6.366 1.00 0.00 H new ATOM 463 N ASP A 33 4.116 -6.821 7.946 1.00 0.00 N ATOM 464 CA ASP A 33 3.363 -6.460 9.146 1.00 0.00 C ATOM 465 C ASP A 33 1.961 -7.075 9.071 1.00 0.00 C ATOM 466 O ASP A 33 1.556 -7.569 8.024 1.00 0.00 O ATOM 467 CB ASP A 33 3.298 -4.936 9.297 1.00 0.00 C ATOM 468 CG ASP A 33 2.242 -4.482 10.281 1.00 0.00 C ATOM 469 OD1 ASP A 33 2.165 -5.060 11.386 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.500 -3.537 9.951 1.00 0.00 O ATOM 0 H ASP A 33 3.588 -6.729 7.078 1.00 0.00 H new ATOM 0 HA ASP A 33 3.868 -6.855 10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.271 -4.567 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.096 -4.489 8.324 1.00 0.00 H new ATOM 474 N ASP A 34 1.235 -7.064 10.187 1.00 0.00 N ATOM 475 CA ASP A 34 -0.131 -7.584 10.209 1.00 0.00 C ATOM 476 C ASP A 34 -1.045 -6.638 9.431 1.00 0.00 C ATOM 477 O ASP A 34 -1.826 -7.052 8.576 1.00 0.00 O ATOM 478 CB ASP A 34 -0.626 -7.730 11.650 1.00 0.00 C ATOM 479 CG ASP A 34 -0.703 -6.402 12.375 1.00 0.00 C ATOM 480 OD1 ASP A 34 -1.726 -5.702 12.227 1.00 0.00 O ATOM 481 OD2 ASP A 34 0.261 -6.061 13.094 1.00 0.00 O ATOM 0 H ASP A 34 1.566 -6.704 11.082 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.146 -8.569 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.611 -8.196 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.041 -8.399 12.194 1.00 0.00 H new ATOM 485 N ASP A 35 -0.918 -5.358 9.759 1.00 0.00 N ATOM 486 CA ASP A 35 -1.773 -4.312 9.197 1.00 0.00 C ATOM 487 C ASP A 35 -1.250 -3.680 7.909 1.00 0.00 C ATOM 488 O ASP A 35 -2.037 -3.363 7.018 1.00 0.00 O ATOM 489 CB ASP A 35 -2.002 -3.204 10.235 1.00 0.00 C ATOM 490 CG ASP A 35 -0.794 -2.913 11.103 1.00 0.00 C ATOM 491 OD1 ASP A 35 -0.217 -3.869 11.663 1.00 0.00 O ATOM 492 OD2 ASP A 35 -0.431 -1.725 11.229 1.00 0.00 O ATOM 0 H ASP A 35 -0.222 -5.013 10.420 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.704 -4.816 8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.293 -2.290 9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.837 -3.487 10.876 1.00 0.00 H new ATOM 496 N TRP A 36 0.060 -3.493 7.797 1.00 0.00 N ATOM 497 CA TRP A 36 0.616 -2.982 6.541 1.00 0.00 C ATOM 498 C TRP A 36 1.459 -4.056 5.880 1.00 0.00 C ATOM 499 O TRP A 36 2.549 -4.351 6.352 1.00 0.00 O ATOM 500 CB TRP A 36 1.483 -1.741 6.763 1.00 0.00 C ATOM 501 CG TRP A 36 0.704 -0.537 7.162 1.00 0.00 C ATOM 502 CD1 TRP A 36 0.107 -0.351 8.360 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.427 0.637 6.381 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.513 0.866 8.397 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.340 1.491 7.196 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.750 1.059 5.080 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.791 2.730 6.767 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.295 2.302 4.652 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.469 3.119 5.501 1.00 0.00 C ATOM 0 H TRP A 36 0.742 -3.679 8.532 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.222 -2.705 5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.223 -1.957 7.534 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.032 -1.522 5.847 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.118 -1.063 9.172 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.023 1.246 9.194 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.339 0.432 4.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.378 3.365 7.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.532 2.643 3.655 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.810 4.079 5.142 1.00 0.00 H new ATOM 519 N TRP A 37 1.011 -4.632 4.771 1.00 0.00 N ATOM 520 CA TRP A 37 1.755 -5.660 4.070 1.00 0.00 C ATOM 521 C TRP A 37 2.582 -4.977 3.015 1.00 0.00 C ATOM 522 O TRP A 37 2.368 -3.800 2.726 1.00 0.00 O ATOM 523 CB TRP A 37 0.779 -6.684 3.470 1.00 0.00 C ATOM 524 CG TRP A 37 -0.439 -6.927 4.301 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.468 -7.231 5.625 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.801 -6.899 3.862 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.762 -7.397 6.043 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.600 -7.199 4.979 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.424 -6.651 2.635 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -3.985 -7.259 4.908 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.802 -6.709 2.565 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.571 -7.011 3.696 1.00 0.00 C ATOM 0 H TRP A 37 0.119 -4.396 4.335 1.00 0.00 H new ATOM 0 HA TRP A 37 2.416 -6.208 4.741 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.469 -6.340 2.483 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.303 -7.629 3.328 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.403 -7.328 6.256 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.053 -7.630 6.992 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.838 -6.418 1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.580 -7.493 5.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.295 -6.518 1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.647 -7.049 3.610 1.00 0.00 H new ATOM 542 N LEU A 38 3.530 -5.687 2.436 1.00 0.00 N ATOM 543 CA LEU A 38 4.384 -5.096 1.441 1.00 0.00 C ATOM 544 C LEU A 38 3.996 -5.560 0.063 1.00 0.00 C ATOM 545 O LEU A 38 3.546 -6.672 -0.113 1.00 0.00 O ATOM 546 CB LEU A 38 5.848 -5.442 1.765 1.00 0.00 C ATOM 547 CG LEU A 38 6.502 -6.496 0.860 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.841 -5.871 -0.481 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.745 -7.078 1.516 1.00 0.00 C ATOM 0 H LEU A 38 3.723 -6.668 2.640 1.00 0.00 H new ATOM 0 HA LEU A 38 4.269 -4.012 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.438 -4.527 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.899 -5.793 2.796 1.00 0.00 H new ATOM 0 HG LEU A 38 5.799 -7.314 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.305 -6.619 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.929 -5.503 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.532 -5.041 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.190 -7.822 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.465 -6.281 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.472 -7.548 2.461 1.00 0.00 H new ATOM 560 N GLY A 39 4.250 -4.706 -0.907 1.00 0.00 N ATOM 561 CA GLY A 39 3.841 -5.082 -2.239 1.00 0.00 C ATOM 562 C GLY A 39 4.849 -4.941 -3.350 1.00 0.00 C ATOM 563 O GLY A 39 6.051 -4.764 -3.151 1.00 0.00 O ATOM 0 H GLY A 39 4.710 -3.801 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.519 -6.123 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.967 -4.486 -2.502 1.00 0.00 H new ATOM 567 N GLU A 40 4.270 -5.038 -4.534 1.00 0.00 N ATOM 568 CA GLU A 40 4.924 -4.909 -5.813 1.00 0.00 C ATOM 569 C GLU A 40 3.777 -4.710 -6.795 1.00 0.00 C ATOM 570 O GLU A 40 2.892 -5.550 -6.845 1.00 0.00 O ATOM 571 CB GLU A 40 5.753 -6.143 -6.151 1.00 0.00 C ATOM 572 CG GLU A 40 6.931 -5.829 -7.046 1.00 0.00 C ATOM 573 CD GLU A 40 8.049 -6.847 -6.921 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.945 -7.923 -7.545 1.00 0.00 O ATOM 575 OE2 GLU A 40 9.030 -6.566 -6.200 1.00 0.00 O ATOM 0 H GLU A 40 3.271 -5.220 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 40 5.636 -4.084 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.114 -6.597 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.117 -6.880 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.595 -5.790 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.316 -4.840 -6.799 1.00 0.00 H new ATOM 580 N LEU A 41 3.728 -3.624 -7.532 1.00 0.00 N ATOM 581 CA LEU A 41 2.592 -3.449 -8.431 1.00 0.00 C ATOM 582 C LEU A 41 2.778 -4.204 -9.732 1.00 0.00 C ATOM 583 O LEU A 41 3.768 -4.044 -10.419 1.00 0.00 O ATOM 584 CB LEU A 41 2.270 -1.974 -8.680 1.00 0.00 C ATOM 585 CG LEU A 41 2.137 -1.111 -7.424 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.184 0.365 -7.787 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.845 -1.434 -6.689 1.00 0.00 C ATOM 0 H LEU A 41 4.422 -2.876 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 41 1.729 -3.881 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.052 -1.550 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.339 -1.913 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 41 2.975 -1.333 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.088 0.965 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.133 0.590 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.364 0.599 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.767 -0.811 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.004 -1.239 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.845 -2.484 -6.398 1.00 0.00 H new ATOM 598 N GLU A 42 1.842 -5.085 -10.039 1.00 0.00 N ATOM 599 CA GLU A 42 1.918 -5.845 -11.271 1.00 0.00 C ATOM 600 C GLU A 42 1.978 -4.888 -12.463 1.00 0.00 C ATOM 601 O GLU A 42 2.690 -5.133 -13.436 1.00 0.00 O ATOM 602 CB GLU A 42 0.720 -6.814 -11.368 1.00 0.00 C ATOM 603 CG GLU A 42 -0.093 -6.741 -12.660 1.00 0.00 C ATOM 604 CD GLU A 42 0.659 -7.287 -13.857 1.00 0.00 C ATOM 605 OE1 GLU A 42 0.950 -8.501 -13.872 1.00 0.00 O ATOM 606 OE2 GLU A 42 0.961 -6.500 -14.779 1.00 0.00 O ATOM 0 H GLU A 42 1.029 -5.289 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 42 2.827 -6.446 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.091 -7.832 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.052 -6.620 -10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.020 -7.300 -12.533 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.370 -5.704 -12.852 1.00 0.00 H new ATOM 611 N LYS A 43 1.222 -3.794 -12.369 1.00 0.00 N ATOM 612 CA LYS A 43 1.157 -2.844 -13.469 1.00 0.00 C ATOM 613 C LYS A 43 2.465 -2.065 -13.682 1.00 0.00 C ATOM 614 O LYS A 43 2.885 -1.885 -14.824 1.00 0.00 O ATOM 615 CB LYS A 43 -0.045 -1.904 -13.331 1.00 0.00 C ATOM 616 CG LYS A 43 0.149 -0.765 -12.350 1.00 0.00 C ATOM 617 CD LYS A 43 -0.941 -0.766 -11.293 1.00 0.00 C ATOM 618 CE LYS A 43 -0.507 0.002 -10.062 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.507 1.473 -10.294 1.00 0.00 N ATOM 0 H LYS A 43 0.657 -3.550 -11.556 1.00 0.00 H new ATOM 0 HA LYS A 43 1.015 -3.440 -14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.276 -1.486 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.912 -2.488 -13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.124 -0.854 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.142 0.185 -12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.849 -0.322 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.184 -1.792 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.174 -0.234 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.492 -0.319 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.464 1.837 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.874 1.674 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.110 1.936 -9.585 1.00 0.00 H new ATOM 629 N ASP A 44 3.118 -1.598 -12.615 1.00 0.00 N ATOM 630 CA ASP A 44 4.353 -0.806 -12.782 1.00 0.00 C ATOM 631 C ASP A 44 5.542 -1.355 -11.985 1.00 0.00 C ATOM 632 O ASP A 44 6.663 -0.858 -12.106 1.00 0.00 O ATOM 633 CB ASP A 44 4.102 0.648 -12.379 1.00 0.00 C ATOM 634 CG ASP A 44 4.702 1.631 -13.365 1.00 0.00 C ATOM 635 OD1 ASP A 44 4.803 1.286 -14.561 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.073 2.746 -12.940 1.00 0.00 O ATOM 0 H ASP A 44 2.828 -1.745 -11.648 1.00 0.00 H new ATOM 0 HA ASP A 44 4.618 -0.872 -13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.029 0.822 -12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.523 0.826 -11.390 1.00 0.00 H new ATOM 640 N GLY A 45 5.292 -2.368 -11.182 1.00 0.00 N ATOM 641 CA GLY A 45 6.359 -2.958 -10.387 1.00 0.00 C ATOM 642 C GLY A 45 6.778 -2.116 -9.195 1.00 0.00 C ATOM 643 O GLY A 45 7.941 -2.159 -8.792 1.00 0.00 O ATOM 0 H GLY A 45 4.375 -2.798 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.035 -3.936 -10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.227 -3.122 -11.026 1.00 0.00 H new ATOM 647 N SER A 46 5.857 -1.351 -8.625 1.00 0.00 N ATOM 648 CA SER A 46 6.203 -0.523 -7.471 1.00 0.00 C ATOM 649 C SER A 46 6.039 -1.321 -6.187 1.00 0.00 C ATOM 650 O SER A 46 5.047 -2.021 -6.010 1.00 0.00 O ATOM 651 CB SER A 46 5.330 0.732 -7.422 1.00 0.00 C ATOM 652 OG SER A 46 6.101 1.900 -7.646 1.00 0.00 O ATOM 0 H SER A 46 4.886 -1.284 -8.931 1.00 0.00 H new ATOM 0 HA SER A 46 7.244 -0.215 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.544 0.662 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.837 0.798 -6.452 1.00 0.00 H new ATOM 0 HG SER A 46 5.519 2.688 -7.611 1.00 0.00 H new ATOM 657 N LYS A 47 6.992 -1.157 -5.264 1.00 0.00 N ATOM 658 CA LYS A 47 6.950 -1.869 -3.989 1.00 0.00 C ATOM 659 C LYS A 47 6.886 -0.895 -2.827 1.00 0.00 C ATOM 660 O LYS A 47 7.372 0.232 -2.924 1.00 0.00 O ATOM 661 CB LYS A 47 8.165 -2.776 -3.793 1.00 0.00 C ATOM 662 CG LYS A 47 8.716 -3.337 -5.093 1.00 0.00 C ATOM 663 CD LYS A 47 9.944 -2.568 -5.553 1.00 0.00 C ATOM 664 CE LYS A 47 11.071 -2.661 -4.540 1.00 0.00 C ATOM 665 NZ LYS A 47 12.407 -2.512 -5.180 1.00 0.00 N ATOM 0 H LYS A 47 7.797 -0.540 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 47 6.051 -2.485 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.950 -2.215 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.890 -3.602 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.972 -4.388 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.947 -3.293 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.282 -2.961 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.681 -1.522 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.943 -1.888 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.019 -3.621 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.149 -2.581 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.540 -3.265 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.466 -1.585 -5.648 1.00 0.00 H new ATOM 675 N GLY A 48 6.287 -1.329 -1.726 1.00 0.00 N ATOM 676 CA GLY A 48 6.189 -0.501 -0.543 1.00 0.00 C ATOM 677 C GLY A 48 5.174 -1.030 0.442 1.00 0.00 C ATOM 678 O GLY A 48 4.281 -1.790 0.067 1.00 0.00 O ATOM 0 H GLY A 48 5.863 -2.252 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.165 -0.443 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.916 0.514 -0.833 1.00 0.00 H new ATOM 682 N LEU A 49 5.299 -0.635 1.702 1.00 0.00 N ATOM 683 CA LEU A 49 4.361 -1.093 2.706 1.00 0.00 C ATOM 684 C LEU A 49 3.057 -0.387 2.441 1.00 0.00 C ATOM 685 O LEU A 49 3.054 0.811 2.178 1.00 0.00 O ATOM 686 CB LEU A 49 4.868 -0.779 4.111 1.00 0.00 C ATOM 687 CG LEU A 49 6.151 -1.497 4.507 1.00 0.00 C ATOM 688 CD1 LEU A 49 7.140 -0.516 5.115 1.00 0.00 C ATOM 689 CD2 LEU A 49 5.835 -2.622 5.474 1.00 0.00 C ATOM 0 H LEU A 49 6.028 -0.010 2.045 1.00 0.00 H new ATOM 0 HA LEU A 49 4.236 -2.174 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.031 0.296 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.089 -1.037 4.828 1.00 0.00 H new ATOM 0 HG LEU A 49 6.609 -1.927 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.052 -1.044 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.377 0.260 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.701 -0.059 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.757 -3.132 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.362 -2.212 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.158 -3.332 4.998 1.00 0.00 H new ATOM 700 N PHE A 50 1.943 -1.087 2.489 1.00 0.00 N ATOM 701 CA PHE A 50 0.679 -0.473 2.179 1.00 0.00 C ATOM 702 C PHE A 50 -0.405 -0.821 3.176 1.00 0.00 C ATOM 703 O PHE A 50 -0.332 -1.826 3.882 1.00 0.00 O ATOM 704 CB PHE A 50 0.238 -0.867 0.767 1.00 0.00 C ATOM 705 CG PHE A 50 -0.034 -2.336 0.594 1.00 0.00 C ATOM 706 CD1 PHE A 50 1.012 -3.240 0.492 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.333 -2.809 0.522 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.765 -4.590 0.325 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.585 -4.157 0.354 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.534 -5.047 0.255 1.00 0.00 C ATOM 0 H PHE A 50 1.891 -2.075 2.738 1.00 0.00 H new ATOM 0 HA PHE A 50 0.828 0.605 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.663 -0.309 0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.011 -0.566 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.031 -2.886 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.158 -2.117 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.588 -5.285 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.603 -4.514 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.729 -6.101 0.123 1.00 0.00 H new ATOM 719 N PRO A 51 -1.433 0.032 3.232 1.00 0.00 N ATOM 720 CA PRO A 51 -2.566 -0.143 4.114 1.00 0.00 C ATOM 721 C PRO A 51 -3.338 -1.412 3.825 1.00 0.00 C ATOM 722 O PRO A 51 -2.995 -2.217 2.958 1.00 0.00 O ATOM 723 CB PRO A 51 -3.474 1.064 3.854 1.00 0.00 C ATOM 724 CG PRO A 51 -2.629 2.048 3.130 1.00 0.00 C ATOM 725 CD PRO A 51 -1.580 1.252 2.408 1.00 0.00 C ATOM 0 HA PRO A 51 -2.226 -0.217 5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.343 0.781 3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.849 1.481 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.226 2.631 2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.173 2.754 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.889 1.013 1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.641 1.801 2.335 1.00 0.00 H new ATOM 730 N SER A 52 -4.388 -1.541 4.607 1.00 0.00 N ATOM 731 CA SER A 52 -5.225 -2.713 4.348 1.00 0.00 C ATOM 732 C SER A 52 -6.693 -2.416 4.188 1.00 0.00 C ATOM 733 O SER A 52 -7.443 -3.215 3.630 1.00 0.00 O ATOM 734 CB SER A 52 -4.945 -3.808 5.373 1.00 0.00 C ATOM 735 OG SER A 52 -6.030 -4.714 5.463 1.00 0.00 O ATOM 0 H SER A 52 -4.674 -0.918 5.363 1.00 0.00 H new ATOM 0 HA SER A 52 -4.935 -3.084 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.039 -4.347 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.761 -3.358 6.349 1.00 0.00 H new ATOM 0 HG SER A 52 -5.766 -5.579 5.086 1.00 0.00 H new ATOM 740 N ASN A 53 -7.103 -1.263 4.682 1.00 0.00 N ATOM 741 CA ASN A 53 -8.464 -0.814 4.548 1.00 0.00 C ATOM 742 C ASN A 53 -8.635 -0.036 3.239 1.00 0.00 C ATOM 743 O ASN A 53 -9.746 0.085 2.723 1.00 0.00 O ATOM 744 CB ASN A 53 -8.851 0.039 5.756 1.00 0.00 C ATOM 745 CG ASN A 53 -8.139 1.375 5.770 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.099 1.543 5.134 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.697 2.337 6.497 1.00 0.00 N ATOM 0 H ASN A 53 -6.497 -0.616 5.186 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.129 -1.677 4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.928 0.204 5.751 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.617 -0.504 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.262 3.259 6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.560 2.154 7.009 1.00 0.00 H new ATOM 753 N TYR A 54 -7.514 0.496 2.700 1.00 0.00 N ATOM 754 CA TYR A 54 -7.527 1.242 1.441 1.00 0.00 C ATOM 755 C TYR A 54 -7.513 0.268 0.241 1.00 0.00 C ATOM 756 O TYR A 54 -7.744 0.677 -0.897 1.00 0.00 O ATOM 757 CB TYR A 54 -6.313 2.199 1.323 1.00 0.00 C ATOM 758 CG TYR A 54 -6.556 3.643 1.693 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.782 3.992 3.011 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.497 4.665 0.745 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.957 5.305 3.378 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.662 5.980 1.109 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.895 6.301 2.421 1.00 0.00 C ATOM 764 OH TYR A 54 -7.058 7.622 2.779 1.00 0.00 O ATOM 0 H TYR A 54 -6.591 0.417 3.127 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.440 1.838 1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.513 1.815 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.951 2.166 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.822 3.220 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.319 4.419 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.142 5.558 4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.608 6.759 0.363 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.984 8.188 1.983 1.00 0.00 H new ATOM 773 N VAL A 55 -7.238 -1.031 0.507 1.00 0.00 N ATOM 774 CA VAL A 55 -7.151 -2.046 -0.558 1.00 0.00 C ATOM 775 C VAL A 55 -7.748 -3.395 -0.161 1.00 0.00 C ATOM 776 O VAL A 55 -7.871 -3.716 1.021 1.00 0.00 O ATOM 777 CB VAL A 55 -5.690 -2.348 -0.954 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.986 -1.097 -1.434 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.939 -3.004 0.194 1.00 0.00 C ATOM 0 H VAL A 55 -7.074 -1.395 1.446 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.714 -1.604 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.705 -3.054 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.959 -1.339 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.507 -0.697 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.984 -0.352 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.912 -3.206 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.937 -2.337 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.429 -3.940 0.462 1.00 0.00 H new ATOM 789 N SER A 56 -8.117 -4.170 -1.169 1.00 0.00 N ATOM 790 CA SER A 56 -8.667 -5.506 -0.984 1.00 0.00 C ATOM 791 C SER A 56 -7.701 -6.557 -1.540 1.00 0.00 C ATOM 792 O SER A 56 -7.189 -6.403 -2.647 1.00 0.00 O ATOM 793 CB SER A 56 -9.994 -5.613 -1.713 1.00 0.00 C ATOM 794 OG SER A 56 -10.907 -6.436 -1.010 1.00 0.00 O ATOM 0 H SER A 56 -8.043 -3.888 -2.147 1.00 0.00 H new ATOM 0 HA SER A 56 -8.814 -5.682 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.422 -4.619 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.830 -6.019 -2.711 1.00 0.00 H new ATOM 0 HG SER A 56 -11.752 -6.483 -1.504 1.00 0.00 H new ATOM 799 N LEU A 57 -7.497 -7.647 -0.793 1.00 0.00 N ATOM 800 CA LEU A 57 -6.580 -8.700 -1.246 1.00 0.00 C ATOM 801 C LEU A 57 -7.271 -9.638 -2.226 1.00 0.00 C ATOM 802 O LEU A 57 -8.368 -10.133 -1.964 1.00 0.00 O ATOM 803 CB LEU A 57 -6.047 -9.524 -0.071 1.00 0.00 C ATOM 804 CG LEU A 57 -5.099 -8.800 0.890 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.770 -9.685 2.084 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.819 -8.395 0.175 1.00 0.00 C ATOM 0 H LEU A 57 -7.942 -7.822 0.108 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.746 -8.201 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.898 -9.894 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.529 -10.395 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.600 -7.900 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.095 -9.154 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.688 -9.935 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.290 -10.600 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.158 -7.882 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.320 -9.284 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.060 -7.728 -0.653 1.00 0.00 H new ATOM 817 N GLY A 58 -6.620 -9.875 -3.352 1.00 0.00 N ATOM 818 CA GLY A 58 -7.181 -10.745 -4.368 1.00 0.00 C ATOM 819 C GLY A 58 -6.936 -12.220 -4.083 1.00 0.00 C ATOM 820 O GLY A 58 -7.175 -13.067 -4.943 1.00 0.00 O ATOM 0 H GLY A 58 -5.709 -9.480 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.254 -10.567 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.750 -10.490 -5.336 1.00 0.00 H new ATOM 824 N ASN A 59 -6.458 -12.531 -2.877 1.00 0.00 N ATOM 825 CA ASN A 59 -6.177 -13.911 -2.499 1.00 0.00 C ATOM 826 C ASN A 59 -6.571 -14.170 -1.049 1.00 0.00 C ATOM 827 O ASN A 59 -7.268 -15.139 -0.758 1.00 0.00 O ATOM 828 CB ASN A 59 -4.693 -14.220 -2.700 1.00 0.00 C ATOM 829 CG ASN A 59 -4.366 -15.677 -2.443 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.229 -16.461 -2.051 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.109 -16.047 -2.661 1.00 0.00 N ATOM 0 H ASN A 59 -6.259 -11.845 -2.149 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.769 -14.566 -3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.405 -13.960 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.101 -13.594 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.828 -17.015 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.425 -15.363 -2.986 1.00 0.00 H new