USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.019 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 49:sc= 0.0401 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 13 HIS : no HD1:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 28 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.14) USER MOD Single : A 29 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0.025) USER MOD Single : A 40 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.5!) USER MOD Single : A 45 GLN : amide:sc= -1.33 K(o=-1.3,f=-7.3!) USER MOD Single : A 46 CYS SG : rot -14:sc= -0.354 USER MOD Single : A 47 GLN : amide:sc= -9.01! C(o=-9!,f=-10!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -163:sc= -1.75 USER MOD Single : A 58 SER OG : rot 17:sc= 0.428 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.215 3.763 -23.885 1.00 0.00 N ATOM 2 CA GLY A 1 -3.113 4.812 -24.335 1.00 0.00 C ATOM 3 C GLY A 1 -2.988 6.057 -23.454 1.00 0.00 C ATOM 4 O GLY A 1 -1.892 6.404 -23.016 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.668 3.404 -24.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.565 4.146 -23.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.769 2.987 -23.470 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.887 5.070 -25.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.141 4.449 -24.314 1.00 0.00 H new ATOM 8 N SER A 2 -4.126 6.695 -23.220 1.00 0.00 N ATOM 9 CA SER A 2 -4.157 7.893 -22.400 1.00 0.00 C ATOM 10 C SER A 2 -4.698 7.560 -21.007 1.00 0.00 C ATOM 11 O SER A 2 -5.907 7.596 -20.783 1.00 0.00 O ATOM 12 CB SER A 2 -5.007 8.985 -23.052 1.00 0.00 C ATOM 13 OG SER A 2 -4.216 9.890 -23.819 1.00 0.00 O ATOM 0 H SER A 2 -5.033 6.404 -23.584 1.00 0.00 H new ATOM 0 HA SER A 2 -3.139 8.270 -22.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.758 8.525 -23.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.543 9.537 -22.280 1.00 0.00 H new ATOM 0 HG SER A 2 -4.795 10.571 -24.220 1.00 0.00 H new ATOM 18 N SER A 3 -3.777 7.244 -20.110 1.00 0.00 N ATOM 19 CA SER A 3 -4.147 6.904 -18.746 1.00 0.00 C ATOM 20 C SER A 3 -2.912 6.942 -17.844 1.00 0.00 C ATOM 21 O SER A 3 -1.782 6.920 -18.331 1.00 0.00 O ATOM 22 CB SER A 3 -4.809 5.526 -18.682 1.00 0.00 C ATOM 23 OG SER A 3 -6.210 5.618 -18.438 1.00 0.00 O ATOM 0 H SER A 3 -2.775 7.216 -20.300 1.00 0.00 H new ATOM 0 HA SER A 3 -4.869 7.641 -18.394 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.638 4.998 -19.620 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.342 4.935 -17.894 1.00 0.00 H new ATOM 0 HG SER A 3 -6.608 6.267 -19.056 1.00 0.00 H new ATOM 28 N GLY A 4 -3.168 6.998 -16.545 1.00 0.00 N ATOM 29 CA GLY A 4 -2.091 7.040 -15.571 1.00 0.00 C ATOM 30 C GLY A 4 -1.102 5.895 -15.798 1.00 0.00 C ATOM 31 O GLY A 4 -1.482 4.726 -15.769 1.00 0.00 O ATOM 0 H GLY A 4 -4.106 7.015 -16.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.570 7.995 -15.641 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.504 6.975 -14.564 1.00 0.00 H new ATOM 35 N SER A 5 0.150 6.271 -16.020 1.00 0.00 N ATOM 36 CA SER A 5 1.196 5.292 -16.253 1.00 0.00 C ATOM 37 C SER A 5 2.558 5.882 -15.883 1.00 0.00 C ATOM 38 O SER A 5 3.249 6.439 -16.734 1.00 0.00 O ATOM 39 CB SER A 5 1.199 4.823 -17.709 1.00 0.00 C ATOM 40 OG SER A 5 2.059 3.704 -17.908 1.00 0.00 O ATOM 0 H SER A 5 0.462 7.242 -16.043 1.00 0.00 H new ATOM 0 HA SER A 5 0.999 4.426 -15.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.184 4.558 -18.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.516 5.643 -18.353 1.00 0.00 H new ATOM 0 HG SER A 5 2.032 3.434 -18.850 1.00 0.00 H new ATOM 45 N SER A 6 2.903 5.740 -14.611 1.00 0.00 N ATOM 46 CA SER A 6 4.170 6.253 -14.118 1.00 0.00 C ATOM 47 C SER A 6 5.185 5.115 -14.001 1.00 0.00 C ATOM 48 O SER A 6 6.223 5.133 -14.662 1.00 0.00 O ATOM 49 CB SER A 6 3.994 6.949 -12.767 1.00 0.00 C ATOM 50 OG SER A 6 3.890 8.363 -12.904 1.00 0.00 O ATOM 0 H SER A 6 2.327 5.277 -13.908 1.00 0.00 H new ATOM 0 HA SER A 6 4.541 6.990 -14.830 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.100 6.566 -12.276 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.840 6.709 -12.123 1.00 0.00 H new ATOM 0 HG SER A 6 3.777 8.770 -12.020 1.00 0.00 H new ATOM 55 N GLY A 7 4.852 4.152 -13.154 1.00 0.00 N ATOM 56 CA GLY A 7 5.722 3.008 -12.941 1.00 0.00 C ATOM 57 C GLY A 7 5.384 2.298 -11.629 1.00 0.00 C ATOM 58 O GLY A 7 5.243 2.941 -10.590 1.00 0.00 O ATOM 0 H GLY A 7 3.991 4.141 -12.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.621 2.310 -13.772 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.761 3.336 -12.924 1.00 0.00 H new ATOM 62 N LYS A 8 5.263 0.982 -11.719 1.00 0.00 N ATOM 63 CA LYS A 8 4.944 0.178 -10.551 1.00 0.00 C ATOM 64 C LYS A 8 6.081 0.291 -9.534 1.00 0.00 C ATOM 65 O LYS A 8 7.166 0.769 -9.860 1.00 0.00 O ATOM 66 CB LYS A 8 4.627 -1.262 -10.961 1.00 0.00 C ATOM 67 CG LYS A 8 3.644 -1.907 -9.982 1.00 0.00 C ATOM 68 CD LYS A 8 2.358 -2.330 -10.695 1.00 0.00 C ATOM 69 CE LYS A 8 2.278 -3.853 -10.822 1.00 0.00 C ATOM 70 NZ LYS A 8 0.877 -4.311 -10.682 1.00 0.00 N ATOM 0 H LYS A 8 5.380 0.452 -12.583 1.00 0.00 H new ATOM 0 HA LYS A 8 4.043 0.552 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.205 -1.273 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.547 -1.845 -10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.108 -2.776 -9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.407 -1.204 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.494 -1.961 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.321 -1.876 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.674 -4.165 -11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.898 -4.321 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.840 -5.347 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.511 -4.030 -9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.294 -3.879 -11.427 1.00 0.00 H new ATOM 79 N VAL A 9 5.793 -0.156 -8.320 1.00 0.00 N ATOM 80 CA VAL A 9 6.778 -0.111 -7.252 1.00 0.00 C ATOM 81 C VAL A 9 7.118 -1.538 -6.818 1.00 0.00 C ATOM 82 O VAL A 9 6.410 -2.482 -7.167 1.00 0.00 O ATOM 83 CB VAL A 9 6.264 0.758 -6.103 1.00 0.00 C ATOM 84 CG1 VAL A 9 4.888 0.286 -5.632 1.00 0.00 C ATOM 85 CG2 VAL A 9 7.263 0.780 -4.944 1.00 0.00 C ATOM 0 H VAL A 9 4.892 -0.551 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 9 7.701 0.351 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 9 6.159 1.777 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.546 0.921 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.180 0.346 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.956 -0.746 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.874 1.405 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.414 -0.234 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.214 1.185 -5.291 1.00 0.00 H new ATOM 95 N LYS A 10 8.200 -1.650 -6.063 1.00 0.00 N ATOM 96 CA LYS A 10 8.643 -2.947 -5.577 1.00 0.00 C ATOM 97 C LYS A 10 7.994 -3.226 -4.220 1.00 0.00 C ATOM 98 O LYS A 10 8.196 -2.478 -3.265 1.00 0.00 O ATOM 99 CB LYS A 10 10.172 -3.017 -5.554 1.00 0.00 C ATOM 100 CG LYS A 10 10.687 -4.080 -6.526 1.00 0.00 C ATOM 101 CD LYS A 10 10.767 -3.528 -7.950 1.00 0.00 C ATOM 102 CE LYS A 10 11.480 -4.511 -8.881 1.00 0.00 C ATOM 103 NZ LYS A 10 12.140 -3.790 -9.991 1.00 0.00 N ATOM 0 H LYS A 10 8.784 -0.865 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 10 8.321 -3.738 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.588 -2.045 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.514 -3.246 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.672 -4.421 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.027 -4.947 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.762 -3.331 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.298 -2.576 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.220 -5.081 -8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.762 -5.227 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.619 -4.473 -10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.427 -3.266 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.839 -3.124 -9.605 1.00 0.00 H new ATOM 112 N TRP A 11 7.227 -4.306 -4.179 1.00 0.00 N ATOM 113 CA TRP A 11 6.547 -4.694 -2.955 1.00 0.00 C ATOM 114 C TRP A 11 6.684 -6.209 -2.797 1.00 0.00 C ATOM 115 O TRP A 11 6.436 -6.961 -3.739 1.00 0.00 O ATOM 116 CB TRP A 11 5.090 -4.224 -2.964 1.00 0.00 C ATOM 117 CG TRP A 11 4.899 -2.783 -2.487 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.336 -1.657 -3.067 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.198 -2.356 -1.301 1.00 0.00 C ATOM 120 NE1 TRP A 11 4.969 -0.541 -2.345 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.255 -0.980 -1.235 1.00 0.00 C ATOM 122 CE3 TRP A 11 3.537 -3.110 -0.314 1.00 0.00 C ATOM 123 CZ2 TRP A 11 3.671 -0.235 -0.203 1.00 0.00 C ATOM 124 CZ3 TRP A 11 2.959 -2.351 0.711 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.007 -0.965 0.791 1.00 0.00 C ATOM 0 H TRP A 11 7.062 -4.924 -4.973 1.00 0.00 H new ATOM 0 HA TRP A 11 7.004 -4.211 -2.091 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.695 -4.316 -3.976 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.501 -4.887 -2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.904 -1.627 -3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.182 0.428 -2.581 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.480 -4.188 -0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.729 0.843 -0.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.439 -2.881 1.495 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.534 -0.453 1.616 1.00 0.00 H new ATOM 135 N THR A 12 7.081 -6.615 -1.600 1.00 0.00 N ATOM 136 CA THR A 12 7.254 -8.027 -1.307 1.00 0.00 C ATOM 137 C THR A 12 6.143 -8.520 -0.378 1.00 0.00 C ATOM 138 O THR A 12 5.277 -7.745 0.026 1.00 0.00 O ATOM 139 CB THR A 12 8.658 -8.221 -0.730 1.00 0.00 C ATOM 140 OG1 THR A 12 8.758 -9.628 -0.525 1.00 0.00 O ATOM 141 CG2 THR A 12 8.801 -7.628 0.674 1.00 0.00 C ATOM 0 H THR A 12 7.288 -5.990 -0.821 1.00 0.00 H new ATOM 0 HA THR A 12 7.171 -8.631 -2.211 1.00 0.00 H new ATOM 0 HB THR A 12 9.390 -7.762 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.639 -9.843 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.815 -7.793 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.597 -6.558 0.639 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.092 -8.111 1.347 1.00 0.00 H new ATOM 149 N HIS A 13 6.203 -9.806 -0.067 1.00 0.00 N ATOM 150 CA HIS A 13 5.212 -10.412 0.806 1.00 0.00 C ATOM 151 C HIS A 13 5.194 -9.679 2.148 1.00 0.00 C ATOM 152 O HIS A 13 4.239 -9.799 2.914 1.00 0.00 O ATOM 153 CB HIS A 13 5.463 -11.914 0.953 1.00 0.00 C ATOM 154 CG HIS A 13 5.145 -12.714 -0.287 1.00 0.00 C ATOM 155 ND1 HIS A 13 5.596 -14.009 -0.479 1.00 0.00 N ATOM 156 CD2 HIS A 13 4.418 -12.391 -1.394 1.00 0.00 C ATOM 157 CE1 HIS A 13 5.154 -14.435 -1.653 1.00 0.00 C ATOM 158 NE2 HIS A 13 4.424 -13.432 -2.219 1.00 0.00 N ATOM 0 H HIS A 13 6.923 -10.446 -0.404 1.00 0.00 H new ATOM 0 HA HIS A 13 4.221 -10.311 0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.508 -12.073 1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.864 -12.293 1.781 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.921 -11.448 -1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.339 -15.407 -2.086 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.959 -13.474 -3.126 1.00 0.00 H new ATOM 165 N GLU A 14 6.264 -8.935 2.395 1.00 0.00 N ATOM 166 CA GLU A 14 6.382 -8.184 3.632 1.00 0.00 C ATOM 167 C GLU A 14 5.519 -6.923 3.572 1.00 0.00 C ATOM 168 O GLU A 14 4.514 -6.821 4.274 1.00 0.00 O ATOM 169 CB GLU A 14 7.844 -7.833 3.921 1.00 0.00 C ATOM 170 CG GLU A 14 8.617 -9.062 4.404 1.00 0.00 C ATOM 171 CD GLU A 14 10.082 -8.995 3.968 1.00 0.00 C ATOM 172 OE1 GLU A 14 10.880 -8.275 4.585 1.00 0.00 O ATOM 173 OE2 GLU A 14 10.380 -9.725 2.947 1.00 0.00 O ATOM 0 H GLU A 14 7.056 -8.837 1.759 1.00 0.00 H new ATOM 0 HA GLU A 14 6.022 -8.809 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.311 -7.436 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.891 -7.049 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.560 -9.128 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.156 -9.966 4.005 1.00 0.00 H new ATOM 179 N GLU A 15 5.940 -5.993 2.726 1.00 0.00 N ATOM 180 CA GLU A 15 5.217 -4.743 2.566 1.00 0.00 C ATOM 181 C GLU A 15 3.712 -5.006 2.494 1.00 0.00 C ATOM 182 O GLU A 15 2.944 -4.461 3.285 1.00 0.00 O ATOM 183 CB GLU A 15 5.701 -3.986 1.328 1.00 0.00 C ATOM 184 CG GLU A 15 7.224 -3.842 1.334 1.00 0.00 C ATOM 185 CD GLU A 15 7.667 -2.661 0.468 1.00 0.00 C ATOM 186 OE1 GLU A 15 7.517 -1.500 0.879 1.00 0.00 O ATOM 187 OE2 GLU A 15 8.183 -2.982 -0.670 1.00 0.00 O ATOM 0 H GLU A 15 6.773 -6.081 2.144 1.00 0.00 H new ATOM 0 HA GLU A 15 5.415 -4.117 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.386 -4.514 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.239 -2.999 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.575 -3.700 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.681 -4.760 0.965 1.00 0.00 H new ATOM 193 N ASP A 16 3.335 -5.844 1.538 1.00 0.00 N ATOM 194 CA ASP A 16 1.934 -6.185 1.353 1.00 0.00 C ATOM 195 C ASP A 16 1.272 -6.362 2.721 1.00 0.00 C ATOM 196 O ASP A 16 0.320 -5.655 3.049 1.00 0.00 O ATOM 197 CB ASP A 16 1.786 -7.499 0.583 1.00 0.00 C ATOM 198 CG ASP A 16 0.358 -8.041 0.499 1.00 0.00 C ATOM 199 OD1 ASP A 16 -0.451 -7.855 1.420 1.00 0.00 O ATOM 200 OD2 ASP A 16 0.084 -8.689 -0.583 1.00 0.00 O ATOM 0 H ASP A 16 3.974 -6.296 0.884 1.00 0.00 H new ATOM 0 HA ASP A 16 1.462 -5.380 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.164 -7.354 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.417 -8.252 1.054 1.00 0.00 H new ATOM 205 N GLU A 17 1.801 -7.308 3.482 1.00 0.00 N ATOM 206 CA GLU A 17 1.273 -7.586 4.807 1.00 0.00 C ATOM 207 C GLU A 17 1.304 -6.320 5.666 1.00 0.00 C ATOM 208 O GLU A 17 0.267 -5.873 6.156 1.00 0.00 O ATOM 209 CB GLU A 17 2.045 -8.724 5.477 1.00 0.00 C ATOM 210 CG GLU A 17 1.716 -10.069 4.825 1.00 0.00 C ATOM 211 CD GLU A 17 0.387 -10.619 5.346 1.00 0.00 C ATOM 212 OE1 GLU A 17 0.362 -11.692 5.968 1.00 0.00 O ATOM 213 OE2 GLU A 17 -0.645 -9.892 5.084 1.00 0.00 O ATOM 0 H GLU A 17 2.590 -7.892 3.206 1.00 0.00 H new ATOM 0 HA GLU A 17 0.236 -7.907 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.116 -8.533 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.798 -8.760 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.665 -9.950 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.515 -10.782 5.030 1.00 0.00 H new ATOM 219 N GLN A 18 2.503 -5.780 5.824 1.00 0.00 N ATOM 220 CA GLN A 18 2.682 -4.576 6.616 1.00 0.00 C ATOM 221 C GLN A 18 1.578 -3.564 6.302 1.00 0.00 C ATOM 222 O GLN A 18 0.838 -3.150 7.193 1.00 0.00 O ATOM 223 CB GLN A 18 4.066 -3.967 6.382 1.00 0.00 C ATOM 224 CG GLN A 18 4.984 -4.215 7.581 1.00 0.00 C ATOM 225 CD GLN A 18 6.354 -4.726 7.126 1.00 0.00 C ATOM 226 OE1 GLN A 18 6.523 -5.874 6.749 1.00 0.00 O ATOM 227 NE2 GLN A 18 7.318 -3.811 7.182 1.00 0.00 N ATOM 0 H GLN A 18 3.360 -6.154 5.417 1.00 0.00 H new ATOM 0 HA GLN A 18 2.612 -4.845 7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.510 -4.398 5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.971 -2.895 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.106 -3.292 8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.525 -4.942 8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.107 -2.868 7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.268 -4.053 6.899 1.00 0.00 H new ATOM 234 N LEU A 19 1.502 -3.195 5.032 1.00 0.00 N ATOM 235 CA LEU A 19 0.500 -2.240 4.589 1.00 0.00 C ATOM 236 C LEU A 19 -0.894 -2.801 4.874 1.00 0.00 C ATOM 237 O LEU A 19 -1.659 -2.215 5.639 1.00 0.00 O ATOM 238 CB LEU A 19 0.726 -1.868 3.122 1.00 0.00 C ATOM 239 CG LEU A 19 -0.002 -0.617 2.627 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.971 -0.958 1.494 1.00 0.00 C ATOM 241 CD2 LEU A 19 -0.702 0.102 3.782 1.00 0.00 C ATOM 0 H LEU A 19 2.118 -3.540 4.296 1.00 0.00 H new ATOM 0 HA LEU A 19 0.589 -1.308 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.795 -1.728 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.420 -2.711 2.503 1.00 0.00 H new ATOM 0 HG LEU A 19 0.739 0.071 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.475 -0.051 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.418 -1.393 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.711 -1.674 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.212 0.988 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.430 -0.568 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.036 0.399 4.527 1.00 0.00 H new ATOM 252 N ARG A 20 -1.183 -3.929 4.243 1.00 0.00 N ATOM 253 CA ARG A 20 -2.472 -4.577 4.419 1.00 0.00 C ATOM 254 C ARG A 20 -2.955 -4.415 5.862 1.00 0.00 C ATOM 255 O ARG A 20 -4.122 -4.110 6.100 1.00 0.00 O ATOM 256 CB ARG A 20 -2.393 -6.065 4.079 1.00 0.00 C ATOM 257 CG ARG A 20 -2.801 -6.318 2.626 1.00 0.00 C ATOM 258 CD ARG A 20 -3.532 -7.655 2.487 1.00 0.00 C ATOM 259 NE ARG A 20 -4.756 -7.479 1.672 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.525 -8.498 1.232 1.00 0.00 C ATOM 261 NH1 ARG A 20 -5.203 -9.775 1.527 1.00 0.00 N ATOM 262 NH2 ARG A 20 -6.596 -8.226 0.511 1.00 0.00 N ATOM 0 H ARG A 20 -0.546 -4.411 3.609 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.178 -4.099 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.378 -6.426 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.044 -6.629 4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.445 -5.510 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.916 -6.316 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.877 -8.391 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.793 -8.041 3.472 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.036 -6.529 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.374 -9.976 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.789 -10.539 1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.832 -7.258 0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.188 -8.984 0.171 1.00 0.00 H new ATOM 272 N ALA A 21 -2.031 -4.628 6.788 1.00 0.00 N ATOM 273 CA ALA A 21 -2.347 -4.511 8.201 1.00 0.00 C ATOM 274 C ALA A 21 -2.406 -3.031 8.586 1.00 0.00 C ATOM 275 O ALA A 21 -3.428 -2.554 9.077 1.00 0.00 O ATOM 276 CB ALA A 21 -1.313 -5.285 9.022 1.00 0.00 C ATOM 0 H ALA A 21 -1.064 -4.881 6.587 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.324 -4.946 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.550 -5.197 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.331 -6.336 8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.320 -4.874 8.837 1.00 0.00 H new ATOM 282 N LEU A 22 -1.297 -2.345 8.346 1.00 0.00 N ATOM 283 CA LEU A 22 -1.210 -0.930 8.660 1.00 0.00 C ATOM 284 C LEU A 22 -2.536 -0.251 8.308 1.00 0.00 C ATOM 285 O LEU A 22 -3.045 0.561 9.079 1.00 0.00 O ATOM 286 CB LEU A 22 0.003 -0.301 7.972 1.00 0.00 C ATOM 287 CG LEU A 22 1.365 -0.613 8.598 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.505 -0.187 7.671 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.488 0.019 9.985 1.00 0.00 C ATOM 0 H LEU A 22 -0.452 -2.744 7.938 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.051 -0.787 9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.018 -0.631 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.131 0.781 7.961 1.00 0.00 H new ATOM 0 HG LEU A 22 1.442 -1.692 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.461 -0.420 8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.424 -0.723 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.443 0.886 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.465 -0.218 10.407 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.381 1.101 9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.706 -0.375 10.635 1.00 0.00 H new ATOM 300 N VAL A 23 -3.057 -0.609 7.144 1.00 0.00 N ATOM 301 CA VAL A 23 -4.313 -0.045 6.681 1.00 0.00 C ATOM 302 C VAL A 23 -5.393 -0.279 7.740 1.00 0.00 C ATOM 303 O VAL A 23 -5.905 0.672 8.329 1.00 0.00 O ATOM 304 CB VAL A 23 -4.678 -0.632 5.316 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.151 -0.377 4.987 1.00 0.00 C ATOM 306 CG2 VAL A 23 -3.768 -0.077 4.220 1.00 0.00 C ATOM 0 H VAL A 23 -2.632 -1.283 6.507 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.220 1.032 6.543 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.526 -1.710 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.385 -0.804 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.779 -0.842 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.339 0.697 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.049 -0.510 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.874 1.007 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.732 -0.331 4.444 1.00 0.00 H new ATOM 316 N ARG A 24 -5.707 -1.548 7.949 1.00 0.00 N ATOM 317 CA ARG A 24 -6.716 -1.918 8.927 1.00 0.00 C ATOM 318 C ARG A 24 -6.327 -1.400 10.313 1.00 0.00 C ATOM 319 O ARG A 24 -7.193 -1.068 11.121 1.00 0.00 O ATOM 320 CB ARG A 24 -6.893 -3.436 8.988 1.00 0.00 C ATOM 321 CG ARG A 24 -7.164 -4.013 7.598 1.00 0.00 C ATOM 322 CD ARG A 24 -7.601 -5.478 7.687 1.00 0.00 C ATOM 323 NE ARG A 24 -8.875 -5.580 8.432 1.00 0.00 N ATOM 324 CZ ARG A 24 -9.654 -6.683 8.452 1.00 0.00 C ATOM 325 NH1 ARG A 24 -9.293 -7.789 7.766 1.00 0.00 N ATOM 326 NH2 ARG A 24 -10.774 -6.664 9.152 1.00 0.00 N ATOM 0 H ARG A 24 -5.281 -2.334 7.458 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.659 -1.466 8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.997 -3.894 9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.719 -3.683 9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.939 -3.428 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.265 -3.934 6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.721 -5.892 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.831 -6.067 8.185 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.184 -4.766 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.427 -7.795 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.887 -8.618 7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.039 -5.825 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.374 -7.489 9.177 1.00 0.00 H new ATOM 336 N GLN A 25 -5.024 -1.348 10.546 1.00 0.00 N ATOM 337 CA GLN A 25 -4.510 -0.875 11.821 1.00 0.00 C ATOM 338 C GLN A 25 -5.278 0.368 12.275 1.00 0.00 C ATOM 339 O GLN A 25 -5.981 0.334 13.282 1.00 0.00 O ATOM 340 CB GLN A 25 -3.009 -0.593 11.737 1.00 0.00 C ATOM 341 CG GLN A 25 -2.330 -0.826 13.088 1.00 0.00 C ATOM 342 CD GLN A 25 -1.735 -2.233 13.168 1.00 0.00 C ATOM 343 OE1 GLN A 25 -2.429 -3.219 13.357 1.00 0.00 O ATOM 344 NE2 GLN A 25 -0.415 -2.271 13.015 1.00 0.00 N ATOM 0 H GLN A 25 -4.309 -1.625 9.874 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.657 -1.660 12.563 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.556 -1.237 10.983 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.846 0.436 11.417 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.544 -0.086 13.236 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.054 -0.687 13.891 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.105 -1.408 12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.077 -3.164 13.053 1.00 0.00 H new ATOM 351 N PHE A 26 -5.115 1.437 11.509 1.00 0.00 N ATOM 352 CA PHE A 26 -5.783 2.690 11.820 1.00 0.00 C ATOM 353 C PHE A 26 -6.852 3.014 10.776 1.00 0.00 C ATOM 354 O PHE A 26 -7.987 3.335 11.124 1.00 0.00 O ATOM 355 CB PHE A 26 -4.714 3.784 11.796 1.00 0.00 C ATOM 356 CG PHE A 26 -3.462 3.451 12.610 1.00 0.00 C ATOM 357 CD1 PHE A 26 -2.461 2.722 12.049 1.00 0.00 C ATOM 358 CD2 PHE A 26 -3.352 3.883 13.895 1.00 0.00 C ATOM 359 CE1 PHE A 26 -1.298 2.411 12.805 1.00 0.00 C ATOM 360 CE2 PHE A 26 -2.190 3.574 14.650 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.188 2.845 14.090 1.00 0.00 C ATOM 0 H PHE A 26 -4.530 1.461 10.674 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.272 2.621 12.792 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.423 3.971 10.762 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.147 4.709 12.177 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.549 2.379 11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.148 4.461 14.341 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.503 1.831 12.360 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.102 3.918 15.670 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.305 2.610 14.665 1.00 0.00 H new ATOM 370 N GLY A 27 -6.452 2.919 9.516 1.00 0.00 N ATOM 371 CA GLY A 27 -7.362 3.199 8.418 1.00 0.00 C ATOM 372 C GLY A 27 -6.602 3.708 7.191 1.00 0.00 C ATOM 373 O GLY A 27 -5.790 4.624 7.296 1.00 0.00 O ATOM 0 H GLY A 27 -5.510 2.652 9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.914 2.295 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.096 3.942 8.730 1.00 0.00 H new ATOM 377 N GLN A 28 -6.893 3.088 6.056 1.00 0.00 N ATOM 378 CA GLN A 28 -6.248 3.467 4.811 1.00 0.00 C ATOM 379 C GLN A 28 -6.462 4.956 4.533 1.00 0.00 C ATOM 380 O GLN A 28 -5.640 5.594 3.878 1.00 0.00 O ATOM 381 CB GLN A 28 -6.757 2.613 3.649 1.00 0.00 C ATOM 382 CG GLN A 28 -8.269 2.396 3.747 1.00 0.00 C ATOM 383 CD GLN A 28 -8.958 2.729 2.422 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.757 3.781 1.836 1.00 0.00 O ATOM 385 NE2 GLN A 28 -9.779 1.779 1.985 1.00 0.00 N ATOM 0 H GLN A 28 -7.566 2.326 5.973 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.177 3.287 4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.517 3.099 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.247 1.650 3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.475 1.360 4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.679 3.020 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.901 0.922 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.287 1.907 1.110 1.00 0.00 H new ATOM 392 N GLN A 29 -7.574 5.467 5.044 1.00 0.00 N ATOM 393 CA GLN A 29 -7.907 6.869 4.859 1.00 0.00 C ATOM 394 C GLN A 29 -6.689 7.748 5.154 1.00 0.00 C ATOM 395 O GLN A 29 -6.490 8.775 4.507 1.00 0.00 O ATOM 396 CB GLN A 29 -9.097 7.270 5.733 1.00 0.00 C ATOM 397 CG GLN A 29 -10.420 6.892 5.064 1.00 0.00 C ATOM 398 CD GLN A 29 -10.997 8.075 4.283 1.00 0.00 C ATOM 399 OE1 GLN A 29 -10.316 9.038 3.973 1.00 0.00 O ATOM 400 NE2 GLN A 29 -12.287 7.948 3.984 1.00 0.00 N ATOM 0 H GLN A 29 -8.255 4.935 5.586 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.195 7.019 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.022 6.779 6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.072 8.344 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.264 6.049 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.135 6.568 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.798 7.114 4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.765 8.684 3.464 1.00 0.00 H new ATOM 407 N ASP A 30 -5.907 7.311 6.130 1.00 0.00 N ATOM 408 CA ASP A 30 -4.715 8.045 6.518 1.00 0.00 C ATOM 409 C ASP A 30 -3.487 7.381 5.892 1.00 0.00 C ATOM 410 O ASP A 30 -2.695 6.747 6.589 1.00 0.00 O ATOM 411 CB ASP A 30 -4.533 8.037 8.037 1.00 0.00 C ATOM 412 CG ASP A 30 -5.271 9.150 8.782 1.00 0.00 C ATOM 413 OD1 ASP A 30 -6.077 8.888 9.689 1.00 0.00 O ATOM 414 OD2 ASP A 30 -4.988 10.347 8.393 1.00 0.00 O ATOM 0 H ASP A 30 -6.076 6.458 6.663 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.825 9.073 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.871 7.076 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.469 8.114 8.261 1.00 0.00 H new ATOM 419 N TRP A 31 -3.364 7.550 4.584 1.00 0.00 N ATOM 420 CA TRP A 31 -2.246 6.976 3.855 1.00 0.00 C ATOM 421 C TRP A 31 -0.977 7.727 4.268 1.00 0.00 C ATOM 422 O TRP A 31 0.049 7.110 4.547 1.00 0.00 O ATOM 423 CB TRP A 31 -2.497 7.012 2.347 1.00 0.00 C ATOM 424 CG TRP A 31 -3.610 6.074 1.878 1.00 0.00 C ATOM 425 CD1 TRP A 31 -4.878 6.385 1.572 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.505 4.649 1.674 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.594 5.270 1.187 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.732 4.181 1.252 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.409 3.785 1.842 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -4.980 2.834 0.960 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.673 2.442 1.547 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.903 1.954 1.120 1.00 0.00 C ATOM 0 H TRP A 31 -4.021 8.077 4.009 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.124 5.922 4.104 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.749 8.032 2.055 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.574 6.751 1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.288 7.383 1.621 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.574 5.249 0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.440 4.130 2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.950 2.493 0.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.864 1.735 1.659 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -4.027 0.901 0.913 1.00 0.00 H new ATOM 442 N LYS A 32 -1.091 9.046 4.295 1.00 0.00 N ATOM 443 CA LYS A 32 0.033 9.887 4.670 1.00 0.00 C ATOM 444 C LYS A 32 0.788 9.234 5.829 1.00 0.00 C ATOM 445 O LYS A 32 1.987 8.978 5.728 1.00 0.00 O ATOM 446 CB LYS A 32 -0.438 11.312 4.967 1.00 0.00 C ATOM 447 CG LYS A 32 -0.682 12.090 3.672 1.00 0.00 C ATOM 448 CD LYS A 32 -1.254 13.478 3.967 1.00 0.00 C ATOM 449 CE LYS A 32 -0.147 14.454 4.368 1.00 0.00 C ATOM 450 NZ LYS A 32 -0.693 15.537 5.217 1.00 0.00 N ATOM 0 H LYS A 32 -1.945 9.554 4.063 1.00 0.00 H new ATOM 0 HA LYS A 32 0.735 9.976 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.355 11.281 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.309 11.828 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.253 12.188 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.372 11.536 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.775 13.855 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.990 13.409 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.637 13.922 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.312 14.880 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.072 16.191 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.425 16.055 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.110 15.127 6.077 1.00 0.00 H new ATOM 459 N PHE A 33 0.055 8.985 6.905 1.00 0.00 N ATOM 460 CA PHE A 33 0.640 8.368 8.083 1.00 0.00 C ATOM 461 C PHE A 33 1.175 6.971 7.761 1.00 0.00 C ATOM 462 O PHE A 33 2.340 6.673 8.021 1.00 0.00 O ATOM 463 CB PHE A 33 -0.473 8.247 9.125 1.00 0.00 C ATOM 464 CG PHE A 33 -0.101 7.390 10.336 1.00 0.00 C ATOM 465 CD1 PHE A 33 1.098 7.567 10.953 1.00 0.00 C ATOM 466 CD2 PHE A 33 -0.970 6.450 10.797 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.443 6.771 12.077 1.00 0.00 C ATOM 468 CE2 PHE A 33 -0.625 5.654 11.921 1.00 0.00 C ATOM 469 CZ PHE A 33 0.574 5.831 12.538 1.00 0.00 C ATOM 0 H PHE A 33 -0.939 9.200 6.985 1.00 0.00 H new ATOM 0 HA PHE A 33 1.472 8.972 8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.745 9.245 9.469 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.357 7.822 8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.788 8.313 10.588 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.923 6.309 10.308 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.396 6.912 12.566 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.315 4.908 12.286 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.836 5.226 13.393 1.00 0.00 H new ATOM 478 N LEU A 34 0.299 6.151 7.200 1.00 0.00 N ATOM 479 CA LEU A 34 0.668 4.793 6.840 1.00 0.00 C ATOM 480 C LEU A 34 2.062 4.798 6.209 1.00 0.00 C ATOM 481 O LEU A 34 3.012 4.273 6.789 1.00 0.00 O ATOM 482 CB LEU A 34 -0.407 4.163 5.952 1.00 0.00 C ATOM 483 CG LEU A 34 -1.742 3.853 6.632 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.832 3.567 5.596 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.593 2.709 7.637 1.00 0.00 C ATOM 0 H LEU A 34 -0.666 6.401 6.986 1.00 0.00 H new ATOM 0 HA LEU A 34 0.722 4.165 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.596 4.833 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.010 3.237 5.536 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.053 4.735 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.771 3.350 6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.961 4.438 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.541 2.709 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.556 2.509 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.248 1.813 7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.868 2.989 8.402 1.00 0.00 H new ATOM 496 N ALA A 35 2.140 5.397 5.030 1.00 0.00 N ATOM 497 CA ALA A 35 3.402 5.477 4.314 1.00 0.00 C ATOM 498 C ALA A 35 4.507 5.900 5.283 1.00 0.00 C ATOM 499 O ALA A 35 5.633 5.411 5.199 1.00 0.00 O ATOM 500 CB ALA A 35 3.260 6.442 3.134 1.00 0.00 C ATOM 0 H ALA A 35 1.350 5.831 4.553 1.00 0.00 H new ATOM 0 HA ALA A 35 3.675 4.503 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.207 6.502 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.483 6.081 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.989 7.431 3.503 1.00 0.00 H new ATOM 506 N SER A 36 4.148 6.804 6.182 1.00 0.00 N ATOM 507 CA SER A 36 5.096 7.298 7.167 1.00 0.00 C ATOM 508 C SER A 36 5.687 6.129 7.956 1.00 0.00 C ATOM 509 O SER A 36 6.874 6.132 8.281 1.00 0.00 O ATOM 510 CB SER A 36 4.432 8.298 8.116 1.00 0.00 C ATOM 511 OG SER A 36 5.322 9.344 8.498 1.00 0.00 O ATOM 0 H SER A 36 3.214 7.208 6.249 1.00 0.00 H new ATOM 0 HA SER A 36 5.899 7.815 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.554 8.727 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.083 7.776 9.007 1.00 0.00 H new ATOM 0 HG SER A 36 4.860 9.962 9.102 1.00 0.00 H new ATOM 516 N HIS A 37 4.834 5.157 8.242 1.00 0.00 N ATOM 517 CA HIS A 37 5.258 3.984 8.987 1.00 0.00 C ATOM 518 C HIS A 37 6.366 3.261 8.219 1.00 0.00 C ATOM 519 O HIS A 37 7.279 2.698 8.821 1.00 0.00 O ATOM 520 CB HIS A 37 4.065 3.078 9.299 1.00 0.00 C ATOM 521 CG HIS A 37 3.826 2.865 10.775 1.00 0.00 C ATOM 522 ND1 HIS A 37 4.623 2.043 11.552 1.00 0.00 N ATOM 523 CD2 HIS A 37 2.873 3.375 11.607 1.00 0.00 C ATOM 524 CE1 HIS A 37 4.161 2.064 12.793 1.00 0.00 C ATOM 525 NE2 HIS A 37 3.076 2.889 12.825 1.00 0.00 N ATOM 0 H HIS A 37 3.851 5.158 7.971 1.00 0.00 H new ATOM 0 HA HIS A 37 5.670 4.289 9.949 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.168 3.509 8.855 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.223 2.110 8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.087 4.058 11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.572 1.523 13.632 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.513 3.098 13.649 1.00 0.00 H new ATOM 532 N PHE A 38 6.249 3.299 6.899 1.00 0.00 N ATOM 533 CA PHE A 38 7.229 2.654 6.042 1.00 0.00 C ATOM 534 C PHE A 38 8.456 3.546 5.846 1.00 0.00 C ATOM 535 O PHE A 38 8.413 4.740 6.138 1.00 0.00 O ATOM 536 CB PHE A 38 6.557 2.425 4.687 1.00 0.00 C ATOM 537 CG PHE A 38 5.637 1.204 4.646 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.166 -0.041 4.510 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.290 1.363 4.748 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.312 -1.175 4.472 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.436 0.229 4.710 1.00 0.00 C ATOM 542 CZ PHE A 38 3.965 -1.015 4.573 1.00 0.00 C ATOM 0 H PHE A 38 5.490 3.766 6.403 1.00 0.00 H new ATOM 0 HA PHE A 38 7.561 1.719 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.979 3.311 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.328 2.311 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.236 -0.168 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.870 2.352 4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.732 -2.164 4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.366 0.355 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.316 -1.877 4.544 1.00 0.00 H new ATOM 551 N PRO A 39 9.551 2.916 5.340 1.00 0.00 N ATOM 552 CA PRO A 39 10.787 3.638 5.101 1.00 0.00 C ATOM 553 C PRO A 39 10.676 4.519 3.855 1.00 0.00 C ATOM 554 O PRO A 39 10.283 5.682 3.945 1.00 0.00 O ATOM 555 CB PRO A 39 11.854 2.563 4.975 1.00 0.00 C ATOM 556 CG PRO A 39 11.109 1.270 4.684 1.00 0.00 C ATOM 557 CD PRO A 39 9.638 1.502 4.983 1.00 0.00 C ATOM 0 HA PRO A 39 11.031 4.330 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.554 2.799 4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.436 2.481 5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.245 0.977 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.500 0.458 5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.017 1.273 4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.294 0.866 5.799 1.00 0.00 H new ATOM 562 N ASN A 40 11.029 3.932 2.722 1.00 0.00 N ATOM 563 CA ASN A 40 10.974 4.648 1.459 1.00 0.00 C ATOM 564 C ASN A 40 9.634 4.366 0.775 1.00 0.00 C ATOM 565 O ASN A 40 9.574 3.613 -0.195 1.00 0.00 O ATOM 566 CB ASN A 40 12.090 4.192 0.517 1.00 0.00 C ATOM 567 CG ASN A 40 13.269 5.167 0.551 1.00 0.00 C ATOM 568 OD1 ASN A 40 13.236 6.199 1.200 1.00 0.00 O ATOM 569 ND2 ASN A 40 14.310 4.783 -0.183 1.00 0.00 N ATOM 0 H ASN A 40 11.355 2.968 2.652 1.00 0.00 H new ATOM 0 HA ASN A 40 11.092 5.711 1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.429 3.196 0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.705 4.117 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.146 5.365 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.272 3.906 -0.703 1.00 0.00 H new ATOM 575 N ARG A 41 8.592 4.987 1.309 1.00 0.00 N ATOM 576 CA ARG A 41 7.257 4.812 0.763 1.00 0.00 C ATOM 577 C ARG A 41 6.419 6.071 0.994 1.00 0.00 C ATOM 578 O ARG A 41 6.674 6.826 1.932 1.00 0.00 O ATOM 579 CB ARG A 41 6.552 3.614 1.403 1.00 0.00 C ATOM 580 CG ARG A 41 7.000 2.304 0.752 1.00 0.00 C ATOM 581 CD ARG A 41 6.415 2.161 -0.654 1.00 0.00 C ATOM 582 NE ARG A 41 7.120 1.087 -1.388 1.00 0.00 N ATOM 583 CZ ARG A 41 8.218 1.285 -2.149 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.747 2.519 -2.281 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.767 0.252 -2.761 1.00 0.00 N ATOM 0 H ARG A 41 8.646 5.612 2.114 1.00 0.00 H new ATOM 0 HA ARG A 41 7.358 4.630 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.770 3.587 2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.473 3.725 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.088 2.273 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.685 1.462 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.351 1.933 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.509 3.104 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 41 6.754 0.138 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.317 3.312 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.576 2.659 -2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.362 -0.678 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.597 0.384 -3.340 1.00 0.00 H new ATOM 595 N THR A 42 5.437 6.259 0.127 1.00 0.00 N ATOM 596 CA THR A 42 4.560 7.414 0.225 1.00 0.00 C ATOM 597 C THR A 42 3.096 6.980 0.142 1.00 0.00 C ATOM 598 O THR A 42 2.774 5.986 -0.509 1.00 0.00 O ATOM 599 CB THR A 42 4.962 8.407 -0.866 1.00 0.00 C ATOM 600 OG1 THR A 42 4.162 9.557 -0.602 1.00 0.00 O ATOM 601 CG2 THR A 42 4.518 7.957 -2.260 1.00 0.00 C ATOM 0 H THR A 42 5.228 5.630 -0.648 1.00 0.00 H new ATOM 0 HA THR A 42 4.665 7.910 1.190 1.00 0.00 H new ATOM 0 HB THR A 42 6.044 8.540 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.361 10.252 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.828 8.697 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.976 6.996 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.433 7.856 -2.281 1.00 0.00 H new ATOM 609 N ASP A 43 2.246 7.745 0.812 1.00 0.00 N ATOM 610 CA ASP A 43 0.822 7.452 0.822 1.00 0.00 C ATOM 611 C ASP A 43 0.387 7.012 -0.577 1.00 0.00 C ATOM 612 O ASP A 43 -0.470 6.141 -0.719 1.00 0.00 O ATOM 613 CB ASP A 43 0.009 8.690 1.203 1.00 0.00 C ATOM 614 CG ASP A 43 0.481 9.997 0.563 1.00 0.00 C ATOM 615 OD1 ASP A 43 1.614 10.446 0.789 1.00 0.00 O ATOM 616 OD2 ASP A 43 -0.381 10.569 -0.207 1.00 0.00 O ATOM 0 H ASP A 43 2.516 8.567 1.352 1.00 0.00 H new ATOM 0 HA ASP A 43 0.644 6.664 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.032 8.522 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.035 8.804 2.287 1.00 0.00 H new ATOM 621 N GLN A 44 0.996 7.636 -1.575 1.00 0.00 N ATOM 622 CA GLN A 44 0.681 7.319 -2.958 1.00 0.00 C ATOM 623 C GLN A 44 1.036 5.863 -3.263 1.00 0.00 C ATOM 624 O GLN A 44 0.205 5.112 -3.773 1.00 0.00 O ATOM 625 CB GLN A 44 1.402 8.271 -3.916 1.00 0.00 C ATOM 626 CG GLN A 44 0.435 8.831 -4.962 1.00 0.00 C ATOM 627 CD GLN A 44 1.178 9.216 -6.243 1.00 0.00 C ATOM 628 OE1 GLN A 44 2.180 8.626 -6.612 1.00 0.00 O ATOM 629 NE2 GLN A 44 0.632 10.236 -6.899 1.00 0.00 N ATOM 0 H GLN A 44 1.705 8.359 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.391 7.450 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.849 9.090 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.217 7.745 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.330 8.089 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.078 9.704 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.208 10.686 -6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.053 10.569 -7.766 1.00 0.00 H new ATOM 636 N GLN A 45 2.270 5.507 -2.938 1.00 0.00 N ATOM 637 CA GLN A 45 2.744 4.153 -3.172 1.00 0.00 C ATOM 638 C GLN A 45 1.857 3.146 -2.437 1.00 0.00 C ATOM 639 O GLN A 45 1.331 2.217 -3.048 1.00 0.00 O ATOM 640 CB GLN A 45 4.207 4.004 -2.750 1.00 0.00 C ATOM 641 CG GLN A 45 5.122 4.858 -3.632 1.00 0.00 C ATOM 642 CD GLN A 45 5.659 4.047 -4.813 1.00 0.00 C ATOM 643 OE1 GLN A 45 4.941 3.313 -5.471 1.00 0.00 O ATOM 644 NE2 GLN A 45 6.957 4.221 -5.041 1.00 0.00 N ATOM 0 H GLN A 45 2.956 6.132 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 45 2.685 3.948 -4.241 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.321 4.301 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.504 2.957 -2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.572 5.724 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.954 5.238 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.499 4.852 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.411 3.724 -5.807 1.00 0.00 H new ATOM 651 N CYS A 46 1.718 3.366 -1.139 1.00 0.00 N ATOM 652 CA CYS A 46 0.903 2.488 -0.315 1.00 0.00 C ATOM 653 C CYS A 46 -0.489 2.393 -0.944 1.00 0.00 C ATOM 654 O CYS A 46 -0.917 1.316 -1.353 1.00 0.00 O ATOM 655 CB CYS A 46 0.842 2.970 1.136 1.00 0.00 C ATOM 656 SG CYS A 46 2.229 2.257 2.092 1.00 0.00 S ATOM 0 H CYS A 46 2.155 4.139 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 46 1.353 1.496 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.889 4.059 1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.108 2.678 1.585 1.00 0.00 H new ATOM 0 HG CYS A 46 2.773 1.291 1.413 1.00 0.00 H new ATOM 661 N GLN A 47 -1.156 3.537 -1.002 1.00 0.00 N ATOM 662 CA GLN A 47 -2.490 3.597 -1.575 1.00 0.00 C ATOM 663 C GLN A 47 -2.506 2.934 -2.954 1.00 0.00 C ATOM 664 O GLN A 47 -3.320 2.049 -3.211 1.00 0.00 O ATOM 665 CB GLN A 47 -2.988 5.041 -1.656 1.00 0.00 C ATOM 666 CG GLN A 47 -4.470 5.090 -2.034 1.00 0.00 C ATOM 667 CD GLN A 47 -5.186 6.225 -1.298 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.584 7.188 -0.854 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.501 6.056 -1.195 1.00 0.00 N ATOM 0 H GLN A 47 -0.797 4.429 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.169 3.049 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.837 5.536 -0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.403 5.590 -2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.570 5.230 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.943 4.139 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.941 5.225 -1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.070 6.758 -0.721 1.00 0.00 H new ATOM 676 N TYR A 48 -1.596 3.387 -3.804 1.00 0.00 N ATOM 677 CA TYR A 48 -1.495 2.849 -5.150 1.00 0.00 C ATOM 678 C TYR A 48 -1.336 1.327 -5.122 1.00 0.00 C ATOM 679 O TYR A 48 -2.206 0.600 -5.600 1.00 0.00 O ATOM 680 CB TYR A 48 -0.237 3.470 -5.760 1.00 0.00 C ATOM 681 CG TYR A 48 0.117 2.925 -7.145 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.833 1.751 -7.262 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.279 3.608 -8.277 1.00 0.00 C ATOM 684 CE1 TYR A 48 1.167 1.239 -8.565 1.00 0.00 C ATOM 685 CE2 TYR A 48 0.056 3.096 -9.580 1.00 0.00 C ATOM 686 CZ TYR A 48 0.761 1.937 -9.660 1.00 0.00 C ATOM 687 OH TYR A 48 1.076 1.452 -10.892 1.00 0.00 O ATOM 0 H TYR A 48 -0.922 4.121 -3.586 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.394 3.078 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.374 4.549 -5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.603 3.298 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.143 1.217 -6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.840 4.526 -8.185 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.727 0.322 -8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.246 3.621 -10.474 1.00 0.00 H new ATOM 0 HH TYR A 48 0.721 2.052 -11.580 1.00 0.00 H new ATOM 696 N ARG A 49 -0.220 0.892 -4.556 1.00 0.00 N ATOM 697 CA ARG A 49 0.064 -0.530 -4.459 1.00 0.00 C ATOM 698 C ARG A 49 -1.152 -1.278 -3.911 1.00 0.00 C ATOM 699 O ARG A 49 -1.351 -2.453 -4.213 1.00 0.00 O ATOM 700 CB ARG A 49 1.267 -0.790 -3.551 1.00 0.00 C ATOM 701 CG ARG A 49 1.407 -2.282 -3.240 1.00 0.00 C ATOM 702 CD ARG A 49 1.974 -3.042 -4.441 1.00 0.00 C ATOM 703 NE ARG A 49 2.026 -4.491 -4.144 1.00 0.00 N ATOM 704 CZ ARG A 49 2.745 -5.385 -4.855 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.481 -4.984 -5.914 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.718 -6.655 -4.501 1.00 0.00 N ATOM 0 H ARG A 49 0.498 1.499 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 49 0.295 -0.891 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.176 -0.428 -4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.154 -0.230 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.060 -2.418 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.434 -2.694 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.354 -2.864 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.973 -2.674 -4.676 1.00 0.00 H new ATOM 0 HE ARG A 49 1.484 -4.836 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.496 -4.000 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.022 -5.665 -6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.159 -6.949 -3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.256 -7.343 -5.028 1.00 0.00 H new ATOM 716 N TRP A 50 -1.934 -0.566 -3.113 1.00 0.00 N ATOM 717 CA TRP A 50 -3.125 -1.148 -2.518 1.00 0.00 C ATOM 718 C TRP A 50 -4.229 -1.149 -3.577 1.00 0.00 C ATOM 719 O TRP A 50 -4.718 -2.208 -3.969 1.00 0.00 O ATOM 720 CB TRP A 50 -3.521 -0.403 -1.242 1.00 0.00 C ATOM 721 CG TRP A 50 -4.917 -0.755 -0.723 1.00 0.00 C ATOM 722 CD1 TRP A 50 -6.094 -0.589 -1.341 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.235 -1.345 0.555 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.142 -1.027 -0.559 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.604 -1.501 0.631 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.393 -1.734 1.613 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.252 -2.048 1.745 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.057 -2.279 2.718 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.434 -2.442 2.810 1.00 0.00 C ATOM 0 H TRP A 50 -1.766 0.409 -2.865 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.939 -2.176 -2.208 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.790 -0.622 -0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.475 0.670 -1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.208 -0.165 -2.328 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.131 -1.007 -0.808 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.320 -1.621 1.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.326 -2.160 1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.457 -2.595 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.871 -2.871 3.700 1.00 0.00 H new ATOM 739 N LEU A 51 -4.591 0.050 -4.011 1.00 0.00 N ATOM 740 CA LEU A 51 -5.629 0.200 -5.016 1.00 0.00 C ATOM 741 C LEU A 51 -5.181 -0.480 -6.310 1.00 0.00 C ATOM 742 O LEU A 51 -5.959 -0.600 -7.256 1.00 0.00 O ATOM 743 CB LEU A 51 -5.994 1.676 -5.192 1.00 0.00 C ATOM 744 CG LEU A 51 -6.917 2.270 -4.126 1.00 0.00 C ATOM 745 CD1 LEU A 51 -7.106 3.773 -4.339 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.252 1.524 -4.077 1.00 0.00 C ATOM 0 H LEU A 51 -4.184 0.926 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.545 -0.296 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.073 2.258 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.469 1.799 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.442 2.141 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.766 4.170 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.139 4.273 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.547 3.949 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.888 1.967 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.746 1.598 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.074 0.475 -3.839 1.00 0.00 H new ATOM 757 N ARG A 52 -3.928 -0.910 -6.313 1.00 0.00 N ATOM 758 CA ARG A 52 -3.367 -1.576 -7.476 1.00 0.00 C ATOM 759 C ARG A 52 -3.270 -3.083 -7.230 1.00 0.00 C ATOM 760 O ARG A 52 -3.669 -3.881 -8.076 1.00 0.00 O ATOM 761 CB ARG A 52 -1.976 -1.030 -7.806 1.00 0.00 C ATOM 762 CG ARG A 52 -2.070 0.350 -8.461 1.00 0.00 C ATOM 763 CD ARG A 52 -3.062 0.337 -9.626 1.00 0.00 C ATOM 764 NE ARG A 52 -2.778 1.461 -10.545 1.00 0.00 N ATOM 765 CZ ARG A 52 -3.045 2.754 -10.265 1.00 0.00 C ATOM 766 NH1 ARG A 52 -3.606 3.097 -9.085 1.00 0.00 N ATOM 767 NH2 ARG A 52 -2.750 3.678 -11.160 1.00 0.00 N ATOM 0 H ARG A 52 -3.285 -0.810 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.030 -1.384 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.382 -0.964 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.460 -1.719 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.382 1.087 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.087 0.654 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.993 -0.609 -10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.081 0.415 -9.247 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.354 1.245 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.831 2.377 -8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.805 4.076 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.326 3.411 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.946 4.660 -10.963 1.00 0.00 H new ATOM 777 N VAL A 53 -2.737 -3.427 -6.066 1.00 0.00 N ATOM 778 CA VAL A 53 -2.583 -4.824 -5.698 1.00 0.00 C ATOM 779 C VAL A 53 -3.570 -5.165 -4.579 1.00 0.00 C ATOM 780 O VAL A 53 -4.454 -6.000 -4.760 1.00 0.00 O ATOM 781 CB VAL A 53 -1.128 -5.107 -5.318 1.00 0.00 C ATOM 782 CG1 VAL A 53 -0.929 -6.585 -4.974 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.175 -4.671 -6.431 1.00 0.00 C ATOM 0 H VAL A 53 -2.407 -2.762 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.816 -5.470 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.894 -4.521 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.113 -6.759 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.568 -6.852 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.190 -7.198 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.852 -4.884 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.409 -5.217 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.287 -3.601 -6.608 1.00 0.00 H new ATOM 793 N LEU A 54 -3.387 -4.499 -3.449 1.00 0.00 N ATOM 794 CA LEU A 54 -4.250 -4.720 -2.302 1.00 0.00 C ATOM 795 C LEU A 54 -5.604 -4.051 -2.551 1.00 0.00 C ATOM 796 O LEU A 54 -5.948 -3.073 -1.890 1.00 0.00 O ATOM 797 CB LEU A 54 -3.562 -4.256 -1.016 1.00 0.00 C ATOM 798 CG LEU A 54 -2.042 -4.417 -0.974 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.487 -4.026 0.398 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.629 -5.834 -1.376 1.00 0.00 C ATOM 0 H LEU A 54 -2.653 -3.806 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.440 -5.785 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.801 -3.204 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.989 -4.808 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.606 -3.735 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.404 -4.150 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.734 -2.985 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.927 -4.664 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.543 -5.921 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.075 -6.552 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.974 -6.040 -2.389 1.00 0.00 H new ATOM 811 N SER A 55 -6.335 -4.606 -3.507 1.00 0.00 N ATOM 812 CA SER A 55 -7.642 -4.075 -3.852 1.00 0.00 C ATOM 813 C SER A 55 -8.553 -5.204 -4.340 1.00 0.00 C ATOM 814 O SER A 55 -8.734 -5.383 -5.544 1.00 0.00 O ATOM 815 CB SER A 55 -7.530 -2.984 -4.920 1.00 0.00 C ATOM 816 OG SER A 55 -8.150 -1.769 -4.507 1.00 0.00 O ATOM 0 H SER A 55 -6.047 -5.418 -4.053 1.00 0.00 H new ATOM 0 HA SER A 55 -8.076 -3.627 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.479 -2.798 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.993 -3.332 -5.844 1.00 0.00 H new ATOM 0 HG SER A 55 -8.300 -1.196 -5.288 1.00 0.00 H new ATOM 821 N GLY A 56 -9.101 -5.935 -3.382 1.00 0.00 N ATOM 822 CA GLY A 56 -9.989 -7.041 -3.699 1.00 0.00 C ATOM 823 C GLY A 56 -10.582 -7.650 -2.427 1.00 0.00 C ATOM 824 O GLY A 56 -10.621 -7.001 -1.383 1.00 0.00 O ATOM 0 H GLY A 56 -8.948 -5.784 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.792 -6.693 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.442 -7.805 -4.251 1.00 0.00 H new ATOM 828 N PRO A 57 -11.042 -8.923 -2.560 1.00 0.00 N ATOM 829 CA PRO A 57 -11.631 -9.628 -1.433 1.00 0.00 C ATOM 830 C PRO A 57 -10.554 -10.082 -0.447 1.00 0.00 C ATOM 831 O PRO A 57 -9.370 -10.099 -0.779 1.00 0.00 O ATOM 832 CB PRO A 57 -12.397 -10.785 -2.052 1.00 0.00 C ATOM 833 CG PRO A 57 -11.831 -10.960 -3.452 1.00 0.00 C ATOM 834 CD PRO A 57 -11.012 -9.723 -3.781 1.00 0.00 C ATOM 0 HA PRO A 57 -12.296 -8.998 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.273 -11.694 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.465 -10.572 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.210 -11.854 -3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.636 -11.089 -4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.991 -9.986 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.439 -9.177 -4.622 1.00 0.00 H new ATOM 839 N SER A 58 -11.004 -10.441 0.746 1.00 0.00 N ATOM 840 CA SER A 58 -10.094 -10.894 1.785 1.00 0.00 C ATOM 841 C SER A 58 -9.440 -12.213 1.366 1.00 0.00 C ATOM 842 O SER A 58 -10.131 -13.185 1.068 1.00 0.00 O ATOM 843 CB SER A 58 -10.820 -11.062 3.120 1.00 0.00 C ATOM 844 OG SER A 58 -11.713 -12.172 3.107 1.00 0.00 O ATOM 0 H SER A 58 -11.987 -10.427 1.017 1.00 0.00 H new ATOM 0 HA SER A 58 -9.321 -10.137 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.088 -11.195 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.376 -10.152 3.347 1.00 0.00 H new ATOM 0 HG SER A 58 -11.497 -12.757 2.351 1.00 0.00 H new ATOM 849 N SER A 59 -8.115 -12.203 1.359 1.00 0.00 N ATOM 850 CA SER A 59 -7.360 -13.387 0.983 1.00 0.00 C ATOM 851 C SER A 59 -6.902 -14.135 2.236 1.00 0.00 C ATOM 852 O SER A 59 -5.753 -14.005 2.656 1.00 0.00 O ATOM 853 CB SER A 59 -6.155 -13.019 0.115 1.00 0.00 C ATOM 854 OG SER A 59 -6.155 -13.723 -1.124 1.00 0.00 O ATOM 0 H SER A 59 -7.545 -11.394 1.607 1.00 0.00 H new ATOM 0 HA SER A 59 -8.011 -14.036 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.161 -11.946 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.236 -13.240 0.658 1.00 0.00 H new ATOM 0 HG SER A 59 -5.371 -13.459 -1.650 1.00 0.00 H new ATOM 859 N GLY A 60 -7.824 -14.902 2.798 1.00 0.00 N ATOM 860 CA GLY A 60 -7.529 -15.671 3.995 1.00 0.00 C ATOM 861 C GLY A 60 -8.167 -17.061 3.925 1.00 0.00 C ATOM 862 O GLY A 60 -8.616 -17.594 4.939 1.00 0.00 O ATOM 0 H GLY A 60 -8.776 -15.008 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.450 -15.768 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.899 -15.141 4.873 1.00 0.00 H new TER 866 GLY A 60