USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 385 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 58 ASN : amide:sc= 1.05 K(o=1,f=0.22) USER MOD Set 1.2: A 59 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 39 CYS SG : rot -72:sc= 1.26 USER MOD Set 2.2: A 51 CYS SG : rot 149:sc= 1.32 USER MOD Set 3.1: A 13 CYS SG : rot 73:sc= 0.168 USER MOD Set 3.2: A 42 CYS SG : rot 94:sc= 0.759 USER MOD Set 4.1: A 40 ASN :FLIP amide:sc= -0.571 F(o=-1.1,f=-0.09) USER MOD Set 4.2: A 48 THR OG1 : rot 85:sc= 0.481 USER MOD Set 5.1: A 25 CYS SG : rot 75:sc= 1.35 USER MOD Set 5.2: A 33 SER OG : rot -100:sc= 0.325 USER MOD Set 5.3: A 38 CYS SG : rot -79:sc= 0.403 USER MOD Set 6.1: A 27 ASN : amide:sc= -0.401 K(o=2.3,f=-3.8!) USER MOD Set 6.2: A 34 CYS SG : rot 104:sc= 1.21 USER MOD Set 6.3: A 60 CYS SG : rot -114:sc= 1.46 USER MOD Single : A 6 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-0.4) USER MOD Single : A 10 ASN : amide:sc= 1.17 K(o=1.2,f=-7.5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 12 ASN : amide:sc= 0.979 K(o=0.98,f=-0.47) USER MOD Single : A 15 TYR OH : rot -113:sc= 1.64 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 17 ASN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 18 SER OG : rot -119:sc= 0.75 USER MOD Single : A 19 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.064) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -31:sc= -0.198 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.33 K(o=1.3,f=-1.8) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0161 K(o=-0.016,f=-0.69) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -7.152 0.348 8.322 1.00 0.00 N ATOM 16 CA ASP A 2 -7.918 0.955 7.249 1.00 0.00 C ATOM 17 C ASP A 2 -7.005 2.018 6.626 1.00 0.00 C ATOM 18 O ASP A 2 -6.283 2.689 7.363 1.00 0.00 O ATOM 19 CB ASP A 2 -9.190 1.641 7.808 1.00 0.00 C ATOM 20 CG ASP A 2 -9.736 1.023 9.105 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.135 1.264 10.177 1.00 0.00 O ATOM 22 OD2 ASP A 2 -10.684 0.210 9.031 1.00 0.00 O ATOM 0 HA ASP A 2 -8.234 0.205 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.970 2.693 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.970 1.604 7.048 1.00 0.00 H new ATOM 27 N PRO A 3 -7.003 2.212 5.301 1.00 0.00 N ATOM 28 CA PRO A 3 -6.245 3.284 4.658 1.00 0.00 C ATOM 29 C PRO A 3 -6.988 4.614 4.597 1.00 0.00 C ATOM 30 O PRO A 3 -6.429 5.620 4.164 1.00 0.00 O ATOM 31 CB PRO A 3 -6.026 2.768 3.236 1.00 0.00 C ATOM 32 CG PRO A 3 -7.321 1.999 2.952 1.00 0.00 C ATOM 33 CD PRO A 3 -7.648 1.370 4.309 1.00 0.00 C ATOM 0 HA PRO A 3 -5.334 3.494 5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.876 3.583 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.150 2.123 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.117 2.660 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.181 1.243 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.725 1.329 4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.278 0.346 4.365 1.00 0.00 H new ATOM 41 N GLU A 4 -8.251 4.615 5.001 1.00 0.00 N ATOM 42 CA GLU A 4 -9.089 5.792 5.035 1.00 0.00 C ATOM 43 C GLU A 4 -8.487 6.846 5.960 1.00 0.00 C ATOM 44 O GLU A 4 -8.544 8.039 5.670 1.00 0.00 O ATOM 45 CB GLU A 4 -10.446 5.324 5.565 1.00 0.00 C ATOM 46 CG GLU A 4 -11.531 6.402 5.501 1.00 0.00 C ATOM 47 CD GLU A 4 -11.722 6.874 4.062 1.00 0.00 C ATOM 48 OE1 GLU A 4 -12.188 6.054 3.239 1.00 0.00 O ATOM 49 OE2 GLU A 4 -11.369 8.044 3.773 1.00 0.00 O ATOM 0 H GLU A 4 -8.728 3.772 5.321 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.182 6.248 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.772 4.457 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.330 4.997 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.470 6.007 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.254 7.245 6.134 1.00 0.00 H new ATOM 56 N GLU A 5 -7.920 6.391 7.080 1.00 0.00 N ATOM 57 CA GLU A 5 -7.699 7.209 8.261 1.00 0.00 C ATOM 58 C GLU A 5 -6.243 7.190 8.726 1.00 0.00 C ATOM 59 O GLU A 5 -5.901 7.843 9.712 1.00 0.00 O ATOM 60 CB GLU A 5 -8.750 6.814 9.308 1.00 0.00 C ATOM 61 CG GLU A 5 -8.476 5.649 10.251 1.00 0.00 C ATOM 62 CD GLU A 5 -9.670 5.441 11.183 1.00 0.00 C ATOM 63 OE1 GLU A 5 -10.724 4.933 10.739 1.00 0.00 O ATOM 64 OE2 GLU A 5 -9.605 5.854 12.365 1.00 0.00 O ATOM 0 H GLU A 5 -7.599 5.429 7.187 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.846 8.266 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.943 7.693 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.673 6.590 8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.289 4.741 9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.578 5.847 10.836 1.00 0.00 H new ATOM 71 N HIS A 6 -5.389 6.495 7.975 1.00 0.00 N ATOM 72 CA HIS A 6 -3.962 6.340 8.175 1.00 0.00 C ATOM 73 C HIS A 6 -3.340 6.632 6.825 1.00 0.00 C ATOM 74 O HIS A 6 -3.647 5.922 5.868 1.00 0.00 O ATOM 75 CB HIS A 6 -3.638 4.901 8.591 1.00 0.00 C ATOM 76 CG HIS A 6 -4.260 4.510 9.902 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.647 4.517 11.133 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.578 4.189 10.085 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.575 4.195 12.046 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.770 3.985 11.463 1.00 0.00 N ATOM 0 H HIS A 6 -5.709 5.990 7.149 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.588 7.000 8.957 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.983 4.219 7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.556 4.784 8.660 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.330 4.108 9.314 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.389 4.115 13.107 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.641 3.729 11.928 1.00 0.00 H new ATOM 88 N PHE A 7 -2.525 7.676 6.716 1.00 0.00 N ATOM 89 CA PHE A 7 -1.912 8.111 5.475 1.00 0.00 C ATOM 90 C PHE A 7 -0.827 9.094 5.895 1.00 0.00 C ATOM 91 O PHE A 7 -1.167 10.123 6.488 1.00 0.00 O ATOM 92 CB PHE A 7 -2.971 8.798 4.589 1.00 0.00 C ATOM 93 CG PHE A 7 -2.716 8.813 3.095 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.468 8.486 2.522 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.799 9.129 2.257 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.320 8.452 1.127 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.657 9.064 0.865 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.428 8.686 0.302 1.00 0.00 C ATOM 0 H PHE A 7 -2.268 8.257 7.514 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.498 7.286 4.895 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.928 8.307 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.075 9.830 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.625 8.261 3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.745 9.423 2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.354 8.246 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.493 9.305 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.336 8.575 -0.768 1.00 0.00 H new ATOM 108 N ASP A 8 0.454 8.791 5.687 1.00 0.00 N ATOM 109 CA ASP A 8 1.526 9.701 6.098 1.00 0.00 C ATOM 110 C ASP A 8 2.659 9.664 5.063 1.00 0.00 C ATOM 111 O ASP A 8 3.756 9.198 5.368 1.00 0.00 O ATOM 112 CB ASP A 8 1.964 9.367 7.541 1.00 0.00 C ATOM 113 CG ASP A 8 2.680 10.529 8.252 1.00 0.00 C ATOM 114 OD1 ASP A 8 2.588 11.695 7.777 1.00 0.00 O ATOM 115 OD2 ASP A 8 3.244 10.306 9.348 1.00 0.00 O ATOM 0 H ASP A 8 0.774 7.931 5.241 1.00 0.00 H new ATOM 0 HA ASP A 8 1.178 10.734 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.086 9.082 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.626 8.502 7.520 1.00 0.00 H new ATOM 120 N PRO A 9 2.398 10.086 3.809 1.00 0.00 N ATOM 121 CA PRO A 9 3.307 9.859 2.699 1.00 0.00 C ATOM 122 C PRO A 9 4.569 10.690 2.847 1.00 0.00 C ATOM 123 O PRO A 9 4.514 11.925 2.791 1.00 0.00 O ATOM 124 CB PRO A 9 2.549 10.227 1.428 1.00 0.00 C ATOM 125 CG PRO A 9 1.377 11.097 1.884 1.00 0.00 C ATOM 126 CD PRO A 9 1.215 10.812 3.374 1.00 0.00 C ATOM 0 HA PRO A 9 3.628 8.818 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.190 10.767 0.732 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.197 9.335 0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.579 12.153 1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.468 10.850 1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.108 11.742 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.315 10.225 3.557 1.00 0.00 H new ATOM 134 N ASN A 10 5.713 10.013 2.955 1.00 0.00 N ATOM 135 CA ASN A 10 6.988 10.688 2.761 1.00 0.00 C ATOM 136 C ASN A 10 7.136 11.046 1.281 1.00 0.00 C ATOM 137 O ASN A 10 6.299 10.708 0.439 1.00 0.00 O ATOM 138 CB ASN A 10 8.177 9.876 3.299 1.00 0.00 C ATOM 139 CG ASN A 10 8.616 8.743 2.383 1.00 0.00 C ATOM 140 OD1 ASN A 10 9.151 8.984 1.307 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.438 7.499 2.777 1.00 0.00 N ATOM 0 H ASN A 10 5.780 9.018 3.171 1.00 0.00 H new ATOM 0 HA ASN A 10 6.995 11.607 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.020 10.548 3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.911 9.461 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.746 6.728 2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.992 7.307 3.674 1.00 0.00 H new ATOM 148 N THR A 11 8.201 11.762 0.952 1.00 0.00 N ATOM 149 CA THR A 11 8.427 12.397 -0.341 1.00 0.00 C ATOM 150 C THR A 11 8.583 11.425 -1.525 1.00 0.00 C ATOM 151 O THR A 11 8.672 11.886 -2.669 1.00 0.00 O ATOM 152 CB THR A 11 9.637 13.321 -0.196 1.00 0.00 C ATOM 153 OG1 THR A 11 10.687 12.626 0.440 1.00 0.00 O ATOM 154 CG2 THR A 11 9.318 14.565 0.641 1.00 0.00 C ATOM 0 H THR A 11 8.966 11.924 1.607 1.00 0.00 H new ATOM 0 HA THR A 11 7.530 12.960 -0.600 1.00 0.00 H new ATOM 0 HB THR A 11 9.921 13.638 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.463 13.218 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.207 15.191 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.517 15.129 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.003 14.261 1.639 1.00 0.00 H new ATOM 162 N ASN A 12 8.638 10.109 -1.301 1.00 0.00 N ATOM 163 CA ASN A 12 8.678 9.095 -2.352 1.00 0.00 C ATOM 164 C ASN A 12 7.285 8.763 -2.895 1.00 0.00 C ATOM 165 O ASN A 12 7.174 8.448 -4.081 1.00 0.00 O ATOM 166 CB ASN A 12 9.303 7.798 -1.824 1.00 0.00 C ATOM 167 CG ASN A 12 10.824 7.753 -1.838 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.514 8.737 -2.113 1.00 0.00 O ATOM 169 ND2 ASN A 12 11.377 6.583 -1.572 1.00 0.00 N ATOM 0 H ASN A 12 8.656 9.713 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 12 9.280 9.514 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.961 7.640 -0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.926 6.965 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.392 6.482 -1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.789 5.781 -1.347 1.00 0.00 H new ATOM 176 N CYS A 13 6.234 8.797 -2.062 1.00 0.00 N ATOM 177 CA CYS A 13 4.876 8.477 -2.484 1.00 0.00 C ATOM 178 C CYS A 13 4.466 9.275 -3.735 1.00 0.00 C ATOM 179 O CYS A 13 4.806 10.454 -3.853 1.00 0.00 O ATOM 180 CB CYS A 13 3.943 8.770 -1.309 1.00 0.00 C ATOM 181 SG CYS A 13 2.210 8.336 -1.603 1.00 0.00 S ATOM 0 H CYS A 13 6.310 9.049 -1.076 1.00 0.00 H new ATOM 0 HA CYS A 13 4.814 7.425 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.298 8.225 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.003 9.832 -1.069 1.00 0.00 H new ATOM 0 HG CYS A 13 2.078 7.043 -1.587 1.00 0.00 H new ATOM 186 N ASP A 14 3.701 8.658 -4.640 1.00 0.00 N ATOM 187 CA ASP A 14 3.143 9.304 -5.832 1.00 0.00 C ATOM 188 C ASP A 14 1.693 9.698 -5.566 1.00 0.00 C ATOM 189 O ASP A 14 1.300 10.849 -5.766 1.00 0.00 O ATOM 190 CB ASP A 14 3.159 8.351 -7.044 1.00 0.00 C ATOM 191 CG ASP A 14 4.515 8.223 -7.732 1.00 0.00 C ATOM 192 OD1 ASP A 14 5.054 9.247 -8.201 1.00 0.00 O ATOM 193 OD2 ASP A 14 5.023 7.078 -7.837 1.00 0.00 O ATOM 0 H ASP A 14 3.447 7.673 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 14 3.754 10.179 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.837 7.362 -6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.427 8.699 -7.773 1.00 0.00 H new ATOM 198 N TYR A 15 0.879 8.714 -5.176 1.00 0.00 N ATOM 199 CA TYR A 15 -0.567 8.834 -5.113 1.00 0.00 C ATOM 200 C TYR A 15 -0.989 9.299 -3.728 1.00 0.00 C ATOM 201 O TYR A 15 -0.724 8.623 -2.737 1.00 0.00 O ATOM 202 CB TYR A 15 -1.213 7.474 -5.378 1.00 0.00 C ATOM 203 CG TYR A 15 -0.901 6.881 -6.728 1.00 0.00 C ATOM 204 CD1 TYR A 15 -1.371 7.505 -7.896 1.00 0.00 C ATOM 205 CD2 TYR A 15 -0.134 5.708 -6.811 1.00 0.00 C ATOM 206 CE1 TYR A 15 -1.064 6.964 -9.152 1.00 0.00 C ATOM 207 CE2 TYR A 15 0.176 5.162 -8.066 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.291 5.789 -9.246 1.00 0.00 C ATOM 209 OH TYR A 15 0.037 5.289 -10.468 1.00 0.00 O ATOM 0 H TYR A 15 1.220 7.796 -4.891 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.887 9.556 -5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.889 6.776 -4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.294 7.576 -5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.969 8.402 -7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.217 5.227 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.420 7.448 -10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.771 4.263 -8.132 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.417 4.431 -10.603 1.00 0.00 H new ATOM 219 N THR A 16 -1.762 10.372 -3.650 1.00 0.00 N ATOM 220 CA THR A 16 -2.247 10.929 -2.394 1.00 0.00 C ATOM 221 C THR A 16 -3.733 10.613 -2.175 1.00 0.00 C ATOM 222 O THR A 16 -4.461 11.364 -1.522 1.00 0.00 O ATOM 223 CB THR A 16 -1.871 12.409 -2.358 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.154 13.004 -3.613 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.365 12.526 -2.076 1.00 0.00 C ATOM 0 H THR A 16 -2.076 10.889 -4.471 1.00 0.00 H new ATOM 0 HA THR A 16 -1.767 10.459 -1.536 1.00 0.00 H new ATOM 0 HB THR A 16 -2.443 12.916 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.913 13.954 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.081 13.578 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.137 12.062 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.193 12.021 -2.864 1.00 0.00 H new ATOM 233 N ASN A 17 -4.198 9.465 -2.688 1.00 0.00 N ATOM 234 CA ASN A 17 -5.540 8.957 -2.406 1.00 0.00 C ATOM 235 C ASN A 17 -5.412 7.573 -1.809 1.00 0.00 C ATOM 236 O ASN A 17 -4.581 6.774 -2.241 1.00 0.00 O ATOM 237 CB ASN A 17 -6.450 8.879 -3.632 1.00 0.00 C ATOM 238 CG ASN A 17 -6.586 10.207 -4.350 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.552 10.941 -4.175 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.604 10.543 -5.157 1.00 0.00 N ATOM 0 H ASN A 17 -3.653 8.867 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.006 9.664 -1.720 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.055 8.136 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.437 8.535 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.635 11.433 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.811 9.914 -5.285 1.00 0.00 H new ATOM 247 N SER A 18 -6.298 7.288 -0.867 1.00 0.00 N ATOM 248 CA SER A 18 -6.325 6.074 -0.059 1.00 0.00 C ATOM 249 C SER A 18 -6.790 4.849 -0.850 1.00 0.00 C ATOM 250 O SER A 18 -6.812 3.757 -0.292 1.00 0.00 O ATOM 251 CB SER A 18 -7.231 6.291 1.159 1.00 0.00 C ATOM 252 OG SER A 18 -6.743 7.354 1.960 1.00 0.00 O ATOM 0 H SER A 18 -7.057 7.928 -0.632 1.00 0.00 H new ATOM 0 HA SER A 18 -5.304 5.872 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.246 6.513 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.281 5.376 1.750 1.00 0.00 H new ATOM 0 HG SER A 18 -6.520 7.015 2.852 1.00 0.00 H new ATOM 258 N GLN A 19 -7.143 5.012 -2.128 1.00 0.00 N ATOM 259 CA GLN A 19 -7.582 3.937 -3.001 1.00 0.00 C ATOM 260 C GLN A 19 -6.523 3.694 -4.078 1.00 0.00 C ATOM 261 O GLN A 19 -6.097 2.557 -4.246 1.00 0.00 O ATOM 262 CB GLN A 19 -8.968 4.282 -3.568 1.00 0.00 C ATOM 263 CG GLN A 19 -9.850 3.036 -3.733 1.00 0.00 C ATOM 264 CD GLN A 19 -9.332 2.091 -4.800 1.00 0.00 C ATOM 265 OE1 GLN A 19 -9.137 2.495 -5.947 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.115 0.835 -4.457 1.00 0.00 N ATOM 0 H GLN A 19 -7.129 5.922 -2.589 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.689 3.001 -2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.464 4.992 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.852 4.774 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.907 2.507 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.864 3.344 -3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.286 0.531 -3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.776 0.168 -5.150 1.00 0.00 H new ATOM 275 N ASP A 20 -6.035 4.745 -4.752 1.00 0.00 N ATOM 276 CA ASP A 20 -4.970 4.633 -5.746 1.00 0.00 C ATOM 277 C ASP A 20 -3.706 4.104 -5.076 1.00 0.00 C ATOM 278 O ASP A 20 -3.191 3.061 -5.468 1.00 0.00 O ATOM 279 CB ASP A 20 -4.644 5.996 -6.372 1.00 0.00 C ATOM 280 CG ASP A 20 -5.734 6.628 -7.230 1.00 0.00 C ATOM 281 OD1 ASP A 20 -6.451 5.932 -7.982 1.00 0.00 O ATOM 282 OD2 ASP A 20 -5.881 7.866 -7.115 1.00 0.00 O ATOM 0 H ASP A 20 -6.372 5.698 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.313 3.955 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.397 6.690 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.749 5.885 -6.984 1.00 0.00 H new ATOM 287 N ALA A 21 -3.208 4.802 -4.046 1.00 0.00 N ATOM 288 CA ALA A 21 -1.960 4.430 -3.390 1.00 0.00 C ATOM 289 C ALA A 21 -2.055 3.001 -2.878 1.00 0.00 C ATOM 290 O ALA A 21 -1.163 2.198 -3.132 1.00 0.00 O ATOM 291 CB ALA A 21 -1.649 5.387 -2.240 1.00 0.00 C ATOM 0 H ALA A 21 -3.657 5.629 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.149 4.496 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.714 5.092 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.555 6.402 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.456 5.351 -1.508 1.00 0.00 H new ATOM 297 N TRP A 22 -3.171 2.696 -2.213 1.00 0.00 N ATOM 298 CA TRP A 22 -3.536 1.374 -1.751 1.00 0.00 C ATOM 299 C TRP A 22 -3.376 0.370 -2.882 1.00 0.00 C ATOM 300 O TRP A 22 -2.461 -0.439 -2.819 1.00 0.00 O ATOM 301 CB TRP A 22 -4.939 1.434 -1.151 1.00 0.00 C ATOM 302 CG TRP A 22 -5.496 0.169 -0.595 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.415 -0.613 -1.199 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.295 -0.391 0.730 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.788 -1.628 -0.336 1.00 0.00 N ATOM 306 CE2 TRP A 22 -6.126 -1.537 0.871 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.545 0.006 1.852 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.187 -2.271 2.065 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.665 -0.667 3.078 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.457 -1.818 3.178 1.00 0.00 C ATOM 0 H TRP A 22 -3.869 3.401 -1.976 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.872 1.028 -0.959 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.935 2.180 -0.356 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.621 1.794 -1.922 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.799 -0.469 -2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.468 -2.353 -0.564 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.866 0.842 1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.784 -3.169 2.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.144 -0.296 3.948 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.507 -2.358 4.112 1.00 0.00 H new ATOM 321 N ASP A 23 -4.212 0.408 -3.916 1.00 0.00 N ATOM 322 CA ASP A 23 -4.249 -0.618 -4.961 1.00 0.00 C ATOM 323 C ASP A 23 -2.889 -0.834 -5.624 1.00 0.00 C ATOM 324 O ASP A 23 -2.537 -1.958 -5.992 1.00 0.00 O ATOM 325 CB ASP A 23 -5.314 -0.271 -6.004 1.00 0.00 C ATOM 326 CG ASP A 23 -6.707 -0.809 -5.643 1.00 0.00 C ATOM 327 OD1 ASP A 23 -6.885 -1.470 -4.592 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.659 -0.593 -6.423 1.00 0.00 O ATOM 0 H ASP A 23 -4.890 1.157 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.512 -1.560 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.367 0.812 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.014 -0.676 -6.970 1.00 0.00 H new ATOM 333 N TYR A 24 -2.084 0.217 -5.756 1.00 0.00 N ATOM 334 CA TYR A 24 -0.751 0.086 -6.299 1.00 0.00 C ATOM 335 C TYR A 24 0.166 -0.614 -5.284 1.00 0.00 C ATOM 336 O TYR A 24 0.844 -1.581 -5.641 1.00 0.00 O ATOM 337 CB TYR A 24 -0.251 1.459 -6.754 1.00 0.00 C ATOM 338 CG TYR A 24 -0.795 1.857 -8.119 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.173 2.080 -8.314 1.00 0.00 C ATOM 340 CD2 TYR A 24 0.080 1.977 -9.215 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.676 2.434 -9.574 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.413 2.297 -10.490 1.00 0.00 C ATOM 343 CZ TYR A 24 -1.792 2.538 -10.666 1.00 0.00 C ATOM 344 OH TYR A 24 -2.268 2.868 -11.892 1.00 0.00 O ATOM 0 H TYR A 24 -2.340 1.168 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.752 -0.551 -7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.541 2.209 -6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.838 1.452 -6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.852 1.977 -7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.139 1.822 -9.074 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.731 2.625 -9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.260 2.358 -11.332 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.527 2.898 -12.533 1.00 0.00 H new ATOM 354 N CYS A 25 0.157 -0.202 -4.013 1.00 0.00 N ATOM 355 CA CYS A 25 0.896 -0.863 -2.935 1.00 0.00 C ATOM 356 C CYS A 25 0.515 -2.340 -2.793 1.00 0.00 C ATOM 357 O CYS A 25 1.385 -3.188 -2.576 1.00 0.00 O ATOM 358 CB CYS A 25 0.640 -0.182 -1.581 1.00 0.00 C ATOM 359 SG CYS A 25 1.215 1.519 -1.360 1.00 0.00 S ATOM 0 H CYS A 25 -0.372 0.612 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 25 1.949 -0.783 -3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.434 -0.197 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.104 -0.794 -0.807 1.00 0.00 H new ATOM 0 HG CYS A 25 0.433 2.329 -2.010 1.00 0.00 H new ATOM 364 N THR A 26 -0.776 -2.652 -2.886 1.00 0.00 N ATOM 365 CA THR A 26 -1.350 -3.960 -2.600 1.00 0.00 C ATOM 366 C THR A 26 -1.063 -4.942 -3.755 1.00 0.00 C ATOM 367 O THR A 26 -1.443 -6.106 -3.666 1.00 0.00 O ATOM 368 CB THR A 26 -2.844 -3.814 -2.246 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.568 -3.556 -3.421 1.00 0.00 O ATOM 370 CG2 THR A 26 -3.167 -2.702 -1.222 1.00 0.00 C ATOM 0 H THR A 26 -1.478 -1.970 -3.175 1.00 0.00 H new ATOM 0 HA THR A 26 -0.873 -4.397 -1.723 1.00 0.00 H new ATOM 0 HB THR A 26 -3.128 -4.755 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.004 -3.059 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.241 -2.678 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.643 -2.905 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.845 -1.739 -1.617 1.00 0.00 H new ATOM 378 N ASN A 27 -0.391 -4.500 -4.839 1.00 0.00 N ATOM 379 CA ASN A 27 -0.151 -5.221 -6.103 1.00 0.00 C ATOM 380 C ASN A 27 -1.432 -5.398 -6.924 1.00 0.00 C ATOM 381 O ASN A 27 -1.364 -5.886 -8.049 1.00 0.00 O ATOM 382 CB ASN A 27 0.617 -6.543 -5.874 1.00 0.00 C ATOM 383 CG ASN A 27 0.747 -7.452 -7.098 1.00 0.00 C ATOM 384 OD1 ASN A 27 -0.054 -8.339 -7.349 1.00 0.00 O ATOM 385 ND2 ASN A 27 1.821 -7.318 -7.840 1.00 0.00 N ATOM 0 H ASN A 27 0.025 -3.569 -4.853 1.00 0.00 H new ATOM 0 HA ASN A 27 0.501 -4.595 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.617 -6.304 -5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.117 -7.100 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.983 -7.953 -8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.493 -6.579 -7.635 1.00 0.00 H new ATOM 392 N TYR A 28 -2.578 -4.923 -6.430 1.00 0.00 N ATOM 393 CA TYR A 28 -3.859 -5.020 -7.107 1.00 0.00 C ATOM 394 C TYR A 28 -3.795 -4.498 -8.541 1.00 0.00 C ATOM 395 O TYR A 28 -4.502 -5.029 -9.396 1.00 0.00 O ATOM 396 CB TYR A 28 -4.907 -4.241 -6.317 1.00 0.00 C ATOM 397 CG TYR A 28 -6.325 -4.403 -6.803 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.069 -5.544 -6.470 1.00 0.00 C ATOM 399 CD2 TYR A 28 -6.925 -3.367 -7.530 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.435 -5.613 -6.802 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.264 -3.451 -7.927 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.043 -4.563 -7.540 1.00 0.00 C ATOM 403 OH TYR A 28 -10.354 -4.602 -7.904 1.00 0.00 O ATOM 0 H TYR A 28 -2.635 -4.451 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.131 -6.074 -7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.859 -4.553 -5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.648 -3.183 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.594 -6.369 -5.959 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.347 -2.492 -7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.022 -6.466 -6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.701 -2.667 -8.528 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.579 -3.789 -8.402 1.00 0.00 H new ATOM 413 N ILE A 29 -2.943 -3.507 -8.800 1.00 0.00 N ATOM 414 CA ILE A 29 -2.678 -2.916 -10.092 1.00 0.00 C ATOM 415 C ILE A 29 -1.204 -3.205 -10.348 1.00 0.00 C ATOM 416 O ILE A 29 -0.344 -2.965 -9.489 1.00 0.00 O ATOM 417 CB ILE A 29 -3.040 -1.422 -10.073 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.528 -1.231 -9.710 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.711 -0.758 -11.415 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.562 -1.629 -10.769 1.00 0.00 C ATOM 0 H ILE A 29 -2.389 -3.075 -8.060 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.280 -3.326 -10.903 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.437 -0.935 -9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.732 -1.805 -8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.684 -0.181 -9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.977 0.298 -11.373 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.644 -0.856 -11.617 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.277 -1.244 -12.210 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.565 -1.444 -10.385 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.404 -1.039 -11.672 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.453 -2.688 -11.004 1.00 0.00 H new ATOM 432 N VAL A 30 -0.908 -3.805 -11.493 1.00 0.00 N ATOM 433 CA VAL A 30 0.430 -4.219 -11.880 1.00 0.00 C ATOM 434 C VAL A 30 1.325 -3.005 -12.142 1.00 0.00 C ATOM 435 O VAL A 30 1.229 -2.340 -13.175 1.00 0.00 O ATOM 436 CB VAL A 30 0.399 -5.249 -13.021 1.00 0.00 C ATOM 437 CG1 VAL A 30 0.356 -6.647 -12.390 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.749 -5.090 -14.030 1.00 0.00 C ATOM 0 H VAL A 30 -1.614 -4.022 -12.197 1.00 0.00 H new ATOM 0 HA VAL A 30 0.890 -4.746 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 30 1.299 -5.085 -13.613 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.333 -7.401 -13.177 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.241 -6.794 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.537 -6.740 -11.772 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.675 -5.867 -14.791 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.704 -5.179 -13.512 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.684 -4.111 -14.504 1.00 0.00 H new ATOM 448 N ASN A 31 2.184 -2.709 -11.167 1.00 0.00 N ATOM 449 CA ASN A 31 3.070 -1.544 -11.126 1.00 0.00 C ATOM 450 C ASN A 31 4.410 -1.833 -10.438 1.00 0.00 C ATOM 451 O ASN A 31 5.263 -0.951 -10.406 1.00 0.00 O ATOM 452 CB ASN A 31 2.377 -0.351 -10.447 1.00 0.00 C ATOM 453 CG ASN A 31 2.427 -0.414 -8.926 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.107 0.376 -8.283 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.697 -1.333 -8.321 1.00 0.00 N ATOM 0 H ASN A 31 2.287 -3.303 -10.344 1.00 0.00 H new ATOM 0 HA ASN A 31 3.289 -1.293 -12.164 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.848 0.573 -10.782 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.336 -0.313 -10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.694 -1.393 -7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.136 -1.983 -8.872 1.00 0.00 H new ATOM 462 N SER A 32 4.619 -3.046 -9.908 1.00 0.00 N ATOM 463 CA SER A 32 5.908 -3.591 -9.457 1.00 0.00 C ATOM 464 C SER A 32 6.555 -2.916 -8.236 1.00 0.00 C ATOM 465 O SER A 32 7.379 -3.535 -7.566 1.00 0.00 O ATOM 466 CB SER A 32 6.871 -3.664 -10.649 1.00 0.00 C ATOM 467 OG SER A 32 6.291 -4.427 -11.694 1.00 0.00 O ATOM 0 H SER A 32 3.854 -3.708 -9.775 1.00 0.00 H new ATOM 0 HA SER A 32 5.683 -4.588 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.100 -2.659 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.814 -4.114 -10.339 1.00 0.00 H new ATOM 0 HG SER A 32 6.911 -4.468 -12.452 1.00 0.00 H new ATOM 473 N SER A 33 6.139 -1.702 -7.881 1.00 0.00 N ATOM 474 CA SER A 33 6.507 -0.988 -6.665 1.00 0.00 C ATOM 475 C SER A 33 6.056 -1.763 -5.419 1.00 0.00 C ATOM 476 O SER A 33 6.729 -1.739 -4.387 1.00 0.00 O ATOM 477 CB SER A 33 5.775 0.354 -6.754 1.00 0.00 C ATOM 478 OG SER A 33 6.271 1.376 -5.931 1.00 0.00 O ATOM 0 H SER A 33 5.502 -1.163 -8.467 1.00 0.00 H new ATOM 0 HA SER A 33 7.586 -0.863 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.809 0.697 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.726 0.191 -6.507 1.00 0.00 H new ATOM 0 HG SER A 33 5.711 1.452 -5.131 1.00 0.00 H new ATOM 484 N CYS A 34 4.909 -2.441 -5.553 1.00 0.00 N ATOM 485 CA CYS A 34 4.104 -3.135 -4.555 1.00 0.00 C ATOM 486 C CYS A 34 4.903 -3.961 -3.540 1.00 0.00 C ATOM 487 O CYS A 34 6.022 -4.415 -3.790 1.00 0.00 O ATOM 488 CB CYS A 34 3.121 -4.037 -5.314 1.00 0.00 C ATOM 489 SG CYS A 34 3.955 -5.154 -6.472 1.00 0.00 S ATOM 0 H CYS A 34 4.478 -2.522 -6.474 1.00 0.00 H new ATOM 0 HA CYS A 34 3.600 -2.378 -3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.546 -4.624 -4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.411 -3.416 -5.861 1.00 0.00 H new ATOM 0 HG CYS A 34 3.988 -6.353 -5.971 1.00 0.00 H new ATOM 494 N GLY A 35 4.264 -4.222 -2.398 1.00 0.00 N ATOM 495 CA GLY A 35 4.863 -4.909 -1.270 1.00 0.00 C ATOM 496 C GLY A 35 4.966 -3.992 -0.057 1.00 0.00 C ATOM 497 O GLY A 35 4.486 -2.857 -0.073 1.00 0.00 O ATOM 0 H GLY A 35 3.294 -3.952 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.267 -5.786 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.856 -5.267 -1.544 1.00 0.00 H new ATOM 501 N GLU A 36 5.543 -4.503 1.036 1.00 0.00 N ATOM 502 CA GLU A 36 5.604 -3.824 2.331 1.00 0.00 C ATOM 503 C GLU A 36 6.299 -2.466 2.231 1.00 0.00 C ATOM 504 O GLU A 36 5.870 -1.514 2.874 1.00 0.00 O ATOM 505 CB GLU A 36 6.259 -4.746 3.371 1.00 0.00 C ATOM 506 CG GLU A 36 7.767 -4.971 3.163 1.00 0.00 C ATOM 507 CD GLU A 36 8.260 -6.374 3.533 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.722 -6.999 4.468 1.00 0.00 O ATOM 509 OE2 GLU A 36 9.242 -6.842 2.906 1.00 0.00 O ATOM 0 H GLU A 36 5.990 -5.420 1.043 1.00 0.00 H new ATOM 0 HA GLU A 36 4.588 -3.611 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.101 -4.324 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.754 -5.712 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.009 -4.779 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.315 -4.239 3.756 1.00 0.00 H new ATOM 516 N ILE A 37 7.305 -2.360 1.366 1.00 0.00 N ATOM 517 CA ILE A 37 8.041 -1.137 1.083 1.00 0.00 C ATOM 518 C ILE A 37 7.089 -0.071 0.560 1.00 0.00 C ATOM 519 O ILE A 37 7.152 1.064 1.025 1.00 0.00 O ATOM 520 CB ILE A 37 9.162 -1.443 0.075 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.129 -2.438 0.757 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.859 -0.151 -0.395 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.448 -2.620 0.024 1.00 0.00 C ATOM 0 H ILE A 37 7.640 -3.156 0.824 1.00 0.00 H new ATOM 0 HA ILE A 37 8.497 -0.753 1.995 1.00 0.00 H new ATOM 0 HB ILE A 37 8.762 -1.894 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.333 -2.093 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.636 -3.406 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.646 -0.400 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.130 0.502 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.295 0.360 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.070 -3.333 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.257 -2.996 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.964 -1.662 -0.039 1.00 0.00 H new ATOM 535 N CYS A 38 6.231 -0.427 -0.400 1.00 0.00 N ATOM 536 CA CYS A 38 5.306 0.514 -1.006 1.00 0.00 C ATOM 537 C CYS A 38 4.310 0.999 0.041 1.00 0.00 C ATOM 538 O CYS A 38 4.029 2.190 0.109 1.00 0.00 O ATOM 539 CB CYS A 38 4.612 -0.147 -2.200 1.00 0.00 C ATOM 540 SG CYS A 38 3.929 0.997 -3.429 1.00 0.00 S ATOM 0 H CYS A 38 6.164 -1.374 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 38 5.844 1.386 -1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.326 -0.804 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.805 -0.778 -1.827 1.00 0.00 H new ATOM 0 HG CYS A 38 2.794 1.466 -3.002 1.00 0.00 H new ATOM 545 N CYS A 39 3.820 0.091 0.896 1.00 0.00 N ATOM 546 CA CYS A 39 3.023 0.459 2.048 1.00 0.00 C ATOM 547 C CYS A 39 3.789 1.475 2.900 1.00 0.00 C ATOM 548 O CYS A 39 3.265 2.548 3.155 1.00 0.00 O ATOM 549 CB CYS A 39 2.666 -0.791 2.856 1.00 0.00 C ATOM 550 SG CYS A 39 1.975 -2.192 1.937 1.00 0.00 S ATOM 0 H CYS A 39 3.971 -0.913 0.799 1.00 0.00 H new ATOM 0 HA CYS A 39 2.093 0.923 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.566 -1.132 3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.950 -0.504 3.626 1.00 0.00 H new ATOM 0 HG CYS A 39 0.758 -1.915 1.574 1.00 0.00 H new ATOM 555 N ASN A 40 5.021 1.155 3.303 1.00 0.00 N ATOM 556 CA ASN A 40 5.871 1.960 4.176 1.00 0.00 C ATOM 557 C ASN A 40 6.111 3.363 3.607 1.00 0.00 C ATOM 558 O ASN A 40 6.143 4.331 4.363 1.00 0.00 O ATOM 559 CB ASN A 40 7.223 1.236 4.353 1.00 0.00 C ATOM 560 CG ASN A 40 7.333 0.361 5.590 1.00 0.00 C ATOM 561 OD1 ASN A 40 6.283 -0.349 5.970 1.00 0.00 O flip ATOM 562 ND2 ASN A 40 8.411 0.230 6.166 1.00 0.00 N flip ATOM 0 H ASN A 40 5.472 0.287 3.015 1.00 0.00 H new ATOM 0 HA ASN A 40 5.366 2.078 5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.403 0.618 3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.015 1.984 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.218 0.779 5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.499 -0.428 6.940 1.00 0.00 H new ATOM 569 N ASP A 41 6.297 3.482 2.286 1.00 0.00 N ATOM 570 CA ASP A 41 6.679 4.737 1.628 1.00 0.00 C ATOM 571 C ASP A 41 5.503 5.722 1.514 1.00 0.00 C ATOM 572 O ASP A 41 5.702 6.875 1.125 1.00 0.00 O ATOM 573 CB ASP A 41 7.303 4.466 0.229 1.00 0.00 C ATOM 574 CG ASP A 41 8.751 4.948 0.031 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.345 5.567 0.941 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.299 4.709 -1.075 1.00 0.00 O ATOM 0 H ASP A 41 6.185 2.702 1.638 1.00 0.00 H new ATOM 0 HA ASP A 41 7.432 5.206 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.269 3.393 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.676 4.942 -0.525 1.00 0.00 H new ATOM 581 N CYS A 42 4.276 5.287 1.832 1.00 0.00 N ATOM 582 CA CYS A 42 3.037 6.015 1.565 1.00 0.00 C ATOM 583 C CYS A 42 2.124 6.070 2.795 1.00 0.00 C ATOM 584 O CYS A 42 1.602 7.127 3.158 1.00 0.00 O ATOM 585 CB CYS A 42 2.301 5.330 0.407 1.00 0.00 C ATOM 586 SG CYS A 42 3.244 5.126 -1.134 1.00 0.00 S ATOM 0 H CYS A 42 4.118 4.392 2.296 1.00 0.00 H new ATOM 0 HA CYS A 42 3.294 7.042 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.976 4.345 0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.402 5.904 0.185 1.00 0.00 H new ATOM 0 HG CYS A 42 3.809 3.955 -1.145 1.00 0.00 H new ATOM 591 N PHE A 43 1.890 4.923 3.421 1.00 0.00 N ATOM 592 CA PHE A 43 1.099 4.782 4.621 1.00 0.00 C ATOM 593 C PHE A 43 2.006 4.874 5.833 1.00 0.00 C ATOM 594 O PHE A 43 3.191 4.547 5.783 1.00 0.00 O ATOM 595 CB PHE A 43 0.364 3.431 4.599 1.00 0.00 C ATOM 596 CG PHE A 43 -0.781 3.411 3.614 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.937 4.141 3.922 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.678 2.747 2.379 1.00 0.00 C ATOM 599 CE1 PHE A 43 -2.998 4.217 3.005 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.744 2.807 1.464 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.907 3.536 1.777 1.00 0.00 C ATOM 0 H PHE A 43 2.264 4.035 3.087 1.00 0.00 H new ATOM 0 HA PHE A 43 0.359 5.580 4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.071 2.641 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.016 3.211 5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.013 4.649 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.216 2.193 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.879 4.795 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.670 2.292 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.728 3.572 1.076 1.00 0.00 H new ATOM 611 N ASP A 44 1.396 5.245 6.956 1.00 0.00 N ATOM 612 CA ASP A 44 2.033 5.120 8.256 1.00 0.00 C ATOM 613 C ASP A 44 2.249 3.651 8.583 1.00 0.00 C ATOM 614 O ASP A 44 1.747 2.764 7.884 1.00 0.00 O ATOM 615 CB ASP A 44 1.157 5.744 9.344 1.00 0.00 C ATOM 616 CG ASP A 44 1.910 6.676 10.297 1.00 0.00 C ATOM 617 OD1 ASP A 44 3.151 6.560 10.422 1.00 0.00 O ATOM 618 OD2 ASP A 44 1.239 7.559 10.894 1.00 0.00 O ATOM 0 H ASP A 44 0.455 5.637 6.987 1.00 0.00 H new ATOM 0 HA ASP A 44 2.990 5.640 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.350 6.302 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.694 4.946 9.924 1.00 0.00 H new ATOM 623 N GLU A 45 2.913 3.381 9.698 1.00 0.00 N ATOM 624 CA GLU A 45 3.255 2.008 10.056 1.00 0.00 C ATOM 625 C GLU A 45 2.004 1.213 10.469 1.00 0.00 C ATOM 626 O GLU A 45 1.891 0.022 10.165 1.00 0.00 O ATOM 627 CB GLU A 45 4.348 1.978 11.134 1.00 0.00 C ATOM 628 CG GLU A 45 5.321 0.796 10.943 1.00 0.00 C ATOM 629 CD GLU A 45 5.489 -0.039 12.212 1.00 0.00 C ATOM 630 OE1 GLU A 45 6.089 0.437 13.205 1.00 0.00 O ATOM 631 OE2 GLU A 45 5.017 -1.200 12.231 1.00 0.00 O ATOM 0 H GLU A 45 3.224 4.086 10.366 1.00 0.00 H new ATOM 0 HA GLU A 45 3.663 1.516 9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.906 2.914 11.109 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.884 1.909 12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.957 0.157 10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.294 1.178 10.632 1.00 0.00 H new ATOM 638 N THR A 46 1.030 1.877 11.104 1.00 0.00 N ATOM 639 CA THR A 46 -0.211 1.242 11.545 1.00 0.00 C ATOM 640 C THR A 46 -1.071 0.940 10.318 1.00 0.00 C ATOM 641 O THR A 46 -1.508 -0.203 10.141 1.00 0.00 O ATOM 642 CB THR A 46 -0.912 2.137 12.585 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.097 2.197 13.739 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.300 1.660 13.008 1.00 0.00 C ATOM 0 H THR A 46 1.084 2.871 11.325 1.00 0.00 H new ATOM 0 HA THR A 46 -0.015 0.293 12.044 1.00 0.00 H new ATOM 0 HB THR A 46 -1.052 3.107 12.108 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.526 2.764 14.413 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.715 2.352 13.741 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.953 1.621 12.136 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.224 0.666 13.449 1.00 0.00 H new ATOM 652 N GLY A 47 -1.255 1.941 9.446 1.00 0.00 N ATOM 653 CA GLY A 47 -1.935 1.801 8.164 1.00 0.00 C ATOM 654 C GLY A 47 -1.329 0.655 7.365 1.00 0.00 C ATOM 655 O GLY A 47 -2.037 -0.267 6.947 1.00 0.00 O ATOM 0 H GLY A 47 -0.925 2.890 9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.997 1.618 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.854 2.730 7.599 1.00 0.00 H new ATOM 659 N THR A 48 -0.002 0.678 7.232 1.00 0.00 N ATOM 660 CA THR A 48 0.783 -0.329 6.554 1.00 0.00 C ATOM 661 C THR A 48 0.333 -1.727 6.949 1.00 0.00 C ATOM 662 O THR A 48 0.142 -2.526 6.045 1.00 0.00 O ATOM 663 CB THR A 48 2.287 -0.075 6.787 1.00 0.00 C ATOM 664 OG1 THR A 48 2.738 0.931 5.912 1.00 0.00 O ATOM 665 CG2 THR A 48 3.177 -1.299 6.588 1.00 0.00 C ATOM 0 H THR A 48 0.569 1.433 7.612 1.00 0.00 H new ATOM 0 HA THR A 48 0.617 -0.258 5.479 1.00 0.00 H new ATOM 0 HB THR A 48 2.370 0.217 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.560 1.811 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.216 -1.027 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.878 -2.083 7.284 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.073 -1.662 5.565 1.00 0.00 H new ATOM 673 N GLY A 49 0.109 -2.059 8.223 1.00 0.00 N ATOM 674 CA GLY A 49 -0.245 -3.428 8.590 1.00 0.00 C ATOM 675 C GLY A 49 -1.468 -3.981 7.839 1.00 0.00 C ATOM 676 O GLY A 49 -1.529 -5.178 7.549 1.00 0.00 O ATOM 0 H GLY A 49 0.166 -1.408 9.006 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.610 -4.077 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.441 -3.467 9.661 1.00 0.00 H new ATOM 680 N ALA A 50 -2.433 -3.129 7.487 1.00 0.00 N ATOM 681 CA ALA A 50 -3.579 -3.492 6.658 1.00 0.00 C ATOM 682 C ALA A 50 -3.163 -3.671 5.201 1.00 0.00 C ATOM 683 O ALA A 50 -3.444 -4.697 4.580 1.00 0.00 O ATOM 684 CB ALA A 50 -4.617 -2.373 6.782 1.00 0.00 C ATOM 0 H ALA A 50 -2.438 -2.151 7.776 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.997 -4.441 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.488 -2.615 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.920 -2.272 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.183 -1.434 6.438 1.00 0.00 H new ATOM 690 N CYS A 51 -2.478 -2.666 4.656 1.00 0.00 N ATOM 691 CA CYS A 51 -2.060 -2.619 3.270 1.00 0.00 C ATOM 692 C CYS A 51 -1.141 -3.801 2.969 1.00 0.00 C ATOM 693 O CYS A 51 -1.216 -4.407 1.898 1.00 0.00 O ATOM 694 CB CYS A 51 -1.403 -1.258 3.033 1.00 0.00 C ATOM 695 SG CYS A 51 -1.161 -0.805 1.303 1.00 0.00 S ATOM 0 H CYS A 51 -2.195 -1.843 5.188 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.902 -2.713 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.014 -0.491 3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.434 -1.250 3.532 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.250 0.486 1.176 1.00 0.00 H new ATOM 700 N ARG A 52 -0.333 -4.194 3.961 1.00 0.00 N ATOM 701 CA ARG A 52 0.538 -5.333 3.864 1.00 0.00 C ATOM 702 C ARG A 52 -0.265 -6.586 3.645 1.00 0.00 C ATOM 703 O ARG A 52 0.086 -7.322 2.741 1.00 0.00 O ATOM 704 CB ARG A 52 1.476 -5.520 5.057 1.00 0.00 C ATOM 705 CG ARG A 52 2.588 -4.472 5.095 1.00 0.00 C ATOM 706 CD ARG A 52 3.553 -4.650 6.269 1.00 0.00 C ATOM 707 NE ARG A 52 4.551 -5.710 6.063 1.00 0.00 N ATOM 708 CZ ARG A 52 5.308 -6.224 7.045 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.084 -5.909 8.318 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.296 -7.053 6.747 1.00 0.00 N ATOM 0 H ARG A 52 -0.278 -3.712 4.858 1.00 0.00 H new ATOM 0 HA ARG A 52 1.181 -5.134 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.899 -5.467 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.920 -6.515 5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.150 -4.516 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.140 -3.480 5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.070 -3.707 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.979 -4.874 7.168 1.00 0.00 H new ATOM 0 HE ARG A 52 4.675 -6.076 5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.328 -5.268 8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.668 -6.308 9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.480 -7.299 5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.874 -7.446 7.490 1.00 0.00 H new ATOM 724 N ALA A 53 -1.314 -6.852 4.428 1.00 0.00 N ATOM 725 CA ALA A 53 -2.134 -8.051 4.223 1.00 0.00 C ATOM 726 C ALA A 53 -2.602 -8.128 2.769 1.00 0.00 C ATOM 727 O ALA A 53 -2.431 -9.155 2.109 1.00 0.00 O ATOM 728 CB ALA A 53 -3.349 -8.081 5.155 1.00 0.00 C ATOM 0 H ALA A 53 -1.614 -6.260 5.203 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.510 -8.914 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.928 -8.986 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.013 -8.072 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.972 -7.207 4.968 1.00 0.00 H new ATOM 734 N GLN A 54 -3.150 -7.017 2.269 1.00 0.00 N ATOM 735 CA GLN A 54 -3.647 -6.901 0.901 1.00 0.00 C ATOM 736 C GLN A 54 -2.540 -7.027 -0.172 1.00 0.00 C ATOM 737 O GLN A 54 -2.875 -7.154 -1.345 1.00 0.00 O ATOM 738 CB GLN A 54 -4.358 -5.552 0.761 1.00 0.00 C ATOM 739 CG GLN A 54 -5.344 -5.415 -0.421 1.00 0.00 C ATOM 740 CD GLN A 54 -6.752 -5.946 -0.139 1.00 0.00 C ATOM 741 OE1 GLN A 54 -7.277 -5.783 0.959 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.444 -6.526 -1.110 1.00 0.00 N ATOM 0 H GLN A 54 -3.261 -6.162 2.814 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.330 -7.732 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.902 -5.355 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.600 -4.774 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.415 -4.363 -0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.935 -5.945 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.018 -6.667 -2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.402 -6.832 -0.941 1.00 0.00 H new ATOM 751 N ALA A 55 -1.248 -7.014 0.160 1.00 0.00 N ATOM 752 CA ALA A 55 -0.186 -7.395 -0.772 1.00 0.00 C ATOM 753 C ALA A 55 0.249 -8.834 -0.504 1.00 0.00 C ATOM 754 O ALA A 55 0.311 -9.647 -1.416 1.00 0.00 O ATOM 755 CB ALA A 55 0.998 -6.430 -0.641 1.00 0.00 C ATOM 0 H ALA A 55 -0.909 -6.739 1.082 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.563 -7.335 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.784 -6.721 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.668 -5.416 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.385 -6.465 0.377 1.00 0.00 H new ATOM 761 N PHE A 56 0.540 -9.123 0.761 1.00 0.00 N ATOM 762 CA PHE A 56 1.146 -10.317 1.319 1.00 0.00 C ATOM 763 C PHE A 56 0.437 -11.587 0.880 1.00 0.00 C ATOM 764 O PHE A 56 1.083 -12.564 0.502 1.00 0.00 O ATOM 765 CB PHE A 56 1.059 -10.218 2.855 1.00 0.00 C ATOM 766 CG PHE A 56 1.657 -11.406 3.588 1.00 0.00 C ATOM 767 CD1 PHE A 56 2.930 -11.909 3.243 1.00 0.00 C ATOM 768 CD2 PHE A 56 0.895 -12.070 4.572 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.424 -13.059 3.882 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.394 -13.222 5.203 1.00 0.00 C ATOM 771 CZ PHE A 56 2.662 -13.718 4.860 1.00 0.00 C ATOM 0 H PHE A 56 0.332 -8.448 1.497 1.00 0.00 H new ATOM 0 HA PHE A 56 2.176 -10.373 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.569 -9.311 3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.013 -10.116 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.523 -11.411 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.079 -11.690 4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.400 -13.440 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.802 -13.726 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.049 -14.602 5.346 1.00 0.00 H new ATOM 781 N GLY A 57 -0.875 -11.607 1.090 1.00 0.00 N ATOM 782 CA GLY A 57 -1.715 -12.792 0.950 1.00 0.00 C ATOM 783 C GLY A 57 -2.984 -12.489 0.168 1.00 0.00 C ATOM 784 O GLY A 57 -4.067 -12.897 0.585 1.00 0.00 O ATOM 0 H GLY A 57 -1.398 -10.777 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.154 -13.578 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.977 -13.172 1.938 1.00 0.00 H new ATOM 788 N ASN A 58 -2.866 -11.723 -0.917 1.00 0.00 N ATOM 789 CA ASN A 58 -3.985 -11.300 -1.740 1.00 0.00 C ATOM 790 C ASN A 58 -3.564 -11.294 -3.212 1.00 0.00 C ATOM 791 O ASN A 58 -3.952 -12.198 -3.954 1.00 0.00 O ATOM 792 CB ASN A 58 -4.446 -9.930 -1.258 1.00 0.00 C ATOM 793 CG ASN A 58 -5.388 -9.302 -2.280 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.377 -9.898 -2.683 1.00 0.00 O ATOM 795 ND2 ASN A 58 -5.055 -8.128 -2.788 1.00 0.00 N ATOM 0 H ASN A 58 -1.967 -11.375 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.824 -11.990 -1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.952 -10.026 -0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.583 -9.282 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.625 -7.710 -3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.228 -7.640 -2.444 1.00 0.00 H new ATOM 802 N SER A 59 -2.771 -10.302 -3.632 1.00 0.00 N ATOM 803 CA SER A 59 -2.351 -10.161 -5.021 1.00 0.00 C ATOM 804 C SER A 59 -0.883 -10.551 -5.219 1.00 0.00 C ATOM 805 O SER A 59 -0.613 -11.538 -5.906 1.00 0.00 O ATOM 806 CB SER A 59 -2.691 -8.747 -5.507 1.00 0.00 C ATOM 807 OG SER A 59 -4.081 -8.627 -5.753 1.00 0.00 O ATOM 0 H SER A 59 -2.405 -9.577 -3.015 1.00 0.00 H new ATOM 0 HA SER A 59 -2.903 -10.864 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.384 -8.016 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.134 -8.525 -6.418 1.00 0.00 H new ATOM 0 HG SER A 59 -4.363 -7.703 -5.590 1.00 0.00 H new ATOM 813 N CYS A 60 0.059 -9.781 -4.667 1.00 0.00 N ATOM 814 CA CYS A 60 1.493 -9.969 -4.839 1.00 0.00 C ATOM 815 C CYS A 60 1.953 -11.375 -4.453 1.00 0.00 C ATOM 816 O CYS A 60 1.498 -11.925 -3.454 1.00 0.00 O ATOM 817 CB CYS A 60 2.214 -8.929 -3.975 1.00 0.00 C ATOM 818 SG CYS A 60 3.727 -8.257 -4.700 1.00 0.00 S ATOM 0 H CYS A 60 -0.168 -8.986 -4.070 1.00 0.00 H new ATOM 0 HA CYS A 60 1.734 -9.843 -5.895 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.528 -8.106 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.459 -9.382 -3.014 1.00 0.00 H new ATOM 0 HG CYS A 60 4.750 -8.624 -3.987 1.00 0.00 H new ATOM 823 N LEU A 61 2.912 -11.918 -5.209 1.00 0.00 N ATOM 824 CA LEU A 61 3.587 -13.168 -4.855 1.00 0.00 C ATOM 825 C LEU A 61 4.400 -12.948 -3.578 1.00 0.00 C ATOM 826 O LEU A 61 4.303 -13.733 -2.637 1.00 0.00 O ATOM 827 CB LEU A 61 4.499 -13.661 -6.001 1.00 0.00 C ATOM 828 CG LEU A 61 3.821 -14.494 -7.107 1.00 0.00 C ATOM 829 CD1 LEU A 61 3.521 -15.924 -6.654 1.00 0.00 C ATOM 830 CD2 LEU A 61 2.548 -13.856 -7.672 1.00 0.00 C ATOM 0 H LEU A 61 3.241 -11.504 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 61 2.836 -13.940 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.965 -12.792 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.301 -14.258 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 61 4.555 -14.521 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.044 -16.471 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.451 -16.421 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.854 -15.900 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.130 -14.501 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.819 -13.728 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.788 -12.884 -8.102 1.00 0.00 H new ATOM 842 N ASN A 62 5.197 -11.877 -3.528 1.00 0.00 N ATOM 843 CA ASN A 62 6.083 -11.557 -2.413 1.00 0.00 C ATOM 844 C ASN A 62 5.904 -10.091 -2.058 1.00 0.00 C ATOM 845 O ASN A 62 6.227 -9.220 -2.870 1.00 0.00 O ATOM 846 CB ASN A 62 7.550 -11.840 -2.759 1.00 0.00 C ATOM 847 CG ASN A 62 7.871 -13.325 -2.718 1.00 0.00 C ATOM 848 OD1 ASN A 62 8.351 -13.833 -1.709 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.617 -14.058 -3.788 1.00 0.00 N ATOM 0 H ASN A 62 5.243 -11.193 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 62 5.822 -12.188 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.769 -11.449 -3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.196 -11.310 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.820 -15.058 -3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.218 -13.624 -4.620 1.00 0.00 H new ATOM 856 N TRP A 63 5.361 -9.819 -0.869 1.00 0.00 N ATOM 857 CA TRP A 63 5.384 -8.477 -0.298 1.00 0.00 C ATOM 858 C TRP A 63 6.812 -7.961 -0.148 1.00 0.00 C ATOM 859 O TRP A 63 7.757 -8.769 -0.090 1.00 0.00 O ATOM 860 CB TRP A 63 4.658 -8.425 1.053 1.00 0.00 C ATOM 861 CG TRP A 63 5.149 -9.253 2.206 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.142 -10.166 2.175 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.716 -9.214 3.603 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.356 -10.672 3.435 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.484 -10.147 4.355 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.737 -8.494 4.311 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.283 -10.372 5.724 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.511 -8.715 5.685 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.280 -9.654 6.392 1.00 0.00 C ATOM 0 H TRP A 63 4.899 -10.515 -0.284 1.00 0.00 H new ATOM 0 HA TRP A 63 4.854 -7.827 -0.994 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.656 -7.385 1.379 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.620 -8.704 0.873 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.689 -10.457 1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.078 -11.357 3.659 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.145 -7.755 3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.892 -11.088 6.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.741 -8.158 6.198 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.100 -9.822 7.444 1.00 0.00 H new