USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 81 GLN : amide:sc= -1.16 K(o=-1.1,f=-2!) USER MOD Set 1.2: A 86 TYR OH : rot 145:sc= 0.0195 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -135:sc= -0.0929 (180deg=-2.02!) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 158:sc= -0.0701 (180deg=-0.382) USER MOD Set 3.1: A 22 GLN :FLIP amide:sc= 0 F(o=0.49,f=1.1) USER MOD Set 3.2: A 61 SER OG : rot 82:sc= 1.08 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 23:sc= 0.194 USER MOD Single : A 11 SER OG : rot 180:sc= -0.133 USER MOD Single : A 14 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.252 (180deg=0.133) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 40 TYR OH : rot -9:sc= 0.0323 USER MOD Single : A 41 SER OG : rot 26:sc= 0.419 USER MOD Single : A 45 TYR OH : rot -134:sc= 0.295 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0509 K(o=-0.051,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 102:sc= 0.302 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 89 GLN : amide:sc= -0.928 K(o=-0.93,f=-4.8!) USER MOD Single : A 92 SER OG : rot -80:sc= 0.158 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.185 F(o=-0.91,f=-0.18) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 18:sc= 1.22 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.408 -9.987 23.307 1.00 0.00 N ATOM 2 CA GLY A 1 16.105 -8.570 23.238 1.00 0.00 C ATOM 3 C GLY A 1 14.620 -8.288 23.351 1.00 0.00 C ATOM 4 O GLY A 1 14.025 -7.690 22.455 1.00 0.00 O ATOM 0 H1 GLY A 1 17.435 -10.127 23.225 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.078 -10.369 24.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.928 -10.483 22.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.632 -8.050 24.038 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.477 -8.168 22.296 1.00 0.00 H new ATOM 8 N SER A 2 14.020 -8.722 24.455 1.00 0.00 N ATOM 9 CA SER A 2 12.593 -8.518 24.679 1.00 0.00 C ATOM 10 C SER A 2 11.779 -9.019 23.490 1.00 0.00 C ATOM 11 O SER A 2 10.827 -8.369 23.058 1.00 0.00 O ATOM 12 CB SER A 2 12.301 -7.037 24.925 1.00 0.00 C ATOM 13 OG SER A 2 12.622 -6.667 26.255 1.00 0.00 O ATOM 0 H SER A 2 14.499 -9.217 25.208 1.00 0.00 H new ATOM 0 HA SER A 2 12.303 -9.089 25.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.876 -6.429 24.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.248 -6.834 24.732 1.00 0.00 H new ATOM 0 HG SER A 2 12.428 -5.715 26.386 1.00 0.00 H new ATOM 19 N SER A 3 12.162 -10.178 22.965 1.00 0.00 N ATOM 20 CA SER A 3 11.471 -10.765 21.823 1.00 0.00 C ATOM 21 C SER A 3 10.199 -11.481 22.267 1.00 0.00 C ATOM 22 O SER A 3 10.034 -11.806 23.442 1.00 0.00 O ATOM 23 CB SER A 3 12.391 -11.744 21.091 1.00 0.00 C ATOM 24 OG SER A 3 13.278 -11.058 20.223 1.00 0.00 O ATOM 0 H SER A 3 12.947 -10.729 23.312 1.00 0.00 H new ATOM 0 HA SER A 3 11.195 -9.959 21.143 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.962 -12.323 21.817 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.792 -12.452 20.519 1.00 0.00 H new ATOM 0 HG SER A 3 13.857 -11.705 19.768 1.00 0.00 H new ATOM 30 N GLY A 4 9.301 -11.725 21.317 1.00 0.00 N ATOM 31 CA GLY A 4 8.056 -12.401 21.628 1.00 0.00 C ATOM 32 C GLY A 4 6.901 -11.908 20.779 1.00 0.00 C ATOM 33 O GLY A 4 5.821 -11.619 21.295 1.00 0.00 O ATOM 0 H GLY A 4 9.414 -11.466 20.337 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.181 -13.473 21.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.818 -12.252 22.681 1.00 0.00 H new ATOM 37 N SER A 5 7.128 -11.810 19.473 1.00 0.00 N ATOM 38 CA SER A 5 6.099 -11.343 18.551 1.00 0.00 C ATOM 39 C SER A 5 5.644 -12.470 17.629 1.00 0.00 C ATOM 40 O SER A 5 6.447 -13.050 16.898 1.00 0.00 O ATOM 41 CB SER A 5 6.622 -10.169 17.722 1.00 0.00 C ATOM 42 OG SER A 5 5.567 -9.519 17.035 1.00 0.00 O ATOM 0 H SER A 5 8.015 -12.048 19.029 1.00 0.00 H new ATOM 0 HA SER A 5 5.243 -11.010 19.138 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.129 -9.457 18.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.361 -10.527 17.005 1.00 0.00 H new ATOM 0 HG SER A 5 5.928 -8.771 16.514 1.00 0.00 H new ATOM 48 N SER A 6 4.351 -12.774 17.669 1.00 0.00 N ATOM 49 CA SER A 6 3.789 -13.834 16.841 1.00 0.00 C ATOM 50 C SER A 6 3.055 -13.250 15.637 1.00 0.00 C ATOM 51 O SER A 6 2.658 -12.086 15.642 1.00 0.00 O ATOM 52 CB SER A 6 2.833 -14.701 17.663 1.00 0.00 C ATOM 53 OG SER A 6 3.547 -15.561 18.534 1.00 0.00 O ATOM 0 H SER A 6 3.673 -12.301 18.266 1.00 0.00 H new ATOM 0 HA SER A 6 4.610 -14.453 16.480 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.166 -14.063 18.243 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.207 -15.293 16.995 1.00 0.00 H new ATOM 0 HG SER A 6 2.914 -16.103 19.049 1.00 0.00 H new ATOM 59 N GLY A 7 2.880 -14.070 14.604 1.00 0.00 N ATOM 60 CA GLY A 7 2.196 -13.619 13.407 1.00 0.00 C ATOM 61 C GLY A 7 2.121 -14.694 12.341 1.00 0.00 C ATOM 62 O GLY A 7 2.582 -14.496 11.217 1.00 0.00 O ATOM 0 H GLY A 7 3.200 -15.038 14.576 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.187 -13.299 13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.712 -12.748 13.004 1.00 0.00 H new ATOM 66 N MET A 8 1.541 -15.836 12.695 1.00 0.00 N ATOM 67 CA MET A 8 1.409 -16.948 11.760 1.00 0.00 C ATOM 68 C MET A 8 0.003 -16.999 11.172 1.00 0.00 C ATOM 69 O MET A 8 -0.890 -17.640 11.727 1.00 0.00 O ATOM 70 CB MET A 8 1.731 -18.271 12.458 1.00 0.00 C ATOM 71 CG MET A 8 1.986 -19.419 11.495 1.00 0.00 C ATOM 72 SD MET A 8 2.415 -20.952 12.342 1.00 0.00 S ATOM 73 CE MET A 8 4.161 -20.692 12.649 1.00 0.00 C ATOM 0 H MET A 8 1.155 -16.016 13.622 1.00 0.00 H new ATOM 0 HA MET A 8 2.119 -16.793 10.947 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.609 -18.135 13.089 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.903 -18.536 13.116 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.097 -19.581 10.886 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.793 -19.146 10.815 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.572 -21.557 13.169 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.681 -20.558 11.701 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.294 -19.802 13.265 1.00 0.00 H new ATOM 83 N SER A 9 -0.188 -16.319 10.045 1.00 0.00 N ATOM 84 CA SER A 9 -1.487 -16.284 9.384 1.00 0.00 C ATOM 85 C SER A 9 -1.325 -16.145 7.874 1.00 0.00 C ATOM 86 O SER A 9 -0.475 -15.392 7.396 1.00 0.00 O ATOM 87 CB SER A 9 -2.328 -15.127 9.927 1.00 0.00 C ATOM 88 OG SER A 9 -3.004 -15.502 11.115 1.00 0.00 O ATOM 0 H SER A 9 0.541 -15.785 9.571 1.00 0.00 H new ATOM 0 HA SER A 9 -1.998 -17.224 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.686 -14.269 10.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.053 -14.816 9.175 1.00 0.00 H new ATOM 0 HG SER A 9 -2.532 -16.249 11.538 1.00 0.00 H new ATOM 94 N LEU A 10 -2.145 -16.876 7.127 1.00 0.00 N ATOM 95 CA LEU A 10 -2.094 -16.835 5.670 1.00 0.00 C ATOM 96 C LEU A 10 -3.375 -16.238 5.096 1.00 0.00 C ATOM 97 O LEU A 10 -4.449 -16.831 5.199 1.00 0.00 O ATOM 98 CB LEU A 10 -1.878 -18.242 5.108 1.00 0.00 C ATOM 99 CG LEU A 10 -0.641 -18.984 5.615 1.00 0.00 C ATOM 100 CD1 LEU A 10 -0.710 -20.456 5.239 1.00 0.00 C ATOM 101 CD2 LEU A 10 0.626 -18.350 5.060 1.00 0.00 C ATOM 0 H LEU A 10 -2.853 -17.504 7.506 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.257 -16.201 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.758 -18.843 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.816 -18.172 4.022 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.616 -18.908 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.179 -20.968 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.598 -20.904 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.760 -20.553 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.496 -18.891 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.608 -18.395 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.682 -17.309 5.379 1.00 0.00 H new ATOM 113 N SER A 11 -3.253 -15.061 4.491 1.00 0.00 N ATOM 114 CA SER A 11 -4.402 -14.382 3.902 1.00 0.00 C ATOM 115 C SER A 11 -4.617 -14.830 2.460 1.00 0.00 C ATOM 116 O SER A 11 -3.718 -15.389 1.831 1.00 0.00 O ATOM 117 CB SER A 11 -4.206 -12.865 3.953 1.00 0.00 C ATOM 118 OG SER A 11 -5.288 -12.190 3.337 1.00 0.00 O ATOM 0 H SER A 11 -2.371 -14.558 4.396 1.00 0.00 H new ATOM 0 HA SER A 11 -5.286 -14.647 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.115 -12.542 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.275 -12.598 3.453 1.00 0.00 H new ATOM 0 HG SER A 11 -5.140 -11.222 3.384 1.00 0.00 H new ATOM 124 N ASP A 12 -5.815 -14.581 1.943 1.00 0.00 N ATOM 125 CA ASP A 12 -6.150 -14.958 0.574 1.00 0.00 C ATOM 126 C ASP A 12 -5.797 -13.838 -0.399 1.00 0.00 C ATOM 127 O ASP A 12 -5.232 -14.084 -1.465 1.00 0.00 O ATOM 128 CB ASP A 12 -7.638 -15.295 0.466 1.00 0.00 C ATOM 129 CG ASP A 12 -8.028 -15.749 -0.927 1.00 0.00 C ATOM 130 OD1 ASP A 12 -8.292 -14.879 -1.784 1.00 0.00 O ATOM 131 OD2 ASP A 12 -8.070 -16.975 -1.162 1.00 0.00 O ATOM 0 H ASP A 12 -6.570 -14.120 2.451 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.566 -15.840 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.883 -16.079 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.227 -14.419 0.738 1.00 0.00 H new ATOM 136 N TRP A 13 -6.136 -12.609 -0.027 1.00 0.00 N ATOM 137 CA TRP A 13 -5.855 -11.451 -0.868 1.00 0.00 C ATOM 138 C TRP A 13 -4.410 -10.994 -0.701 1.00 0.00 C ATOM 139 O TRP A 13 -3.979 -10.656 0.402 1.00 0.00 O ATOM 140 CB TRP A 13 -6.808 -10.304 -0.527 1.00 0.00 C ATOM 141 CG TRP A 13 -6.498 -9.036 -1.262 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.337 -8.318 -1.205 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.362 -8.334 -2.163 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.428 -7.213 -2.016 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.660 -7.200 -2.616 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.660 -8.554 -2.632 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.213 -6.291 -3.513 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.208 -7.650 -3.523 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.486 -6.531 -3.956 1.00 0.00 C ATOM 0 H TRP A 13 -6.606 -12.389 0.851 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.006 -11.743 -1.907 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.829 -10.609 -0.757 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.767 -10.113 0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.475 -8.581 -0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.697 -6.515 -2.150 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.225 -9.414 -2.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.658 -5.427 -3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.211 -7.810 -3.892 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.942 -5.844 -4.653 1.00 0.00 H new ATOM 160 N HIS A 14 -3.666 -10.985 -1.803 1.00 0.00 N ATOM 161 CA HIS A 14 -2.268 -10.569 -1.778 1.00 0.00 C ATOM 162 C HIS A 14 -1.981 -9.564 -2.890 1.00 0.00 C ATOM 163 O HIS A 14 -2.385 -9.760 -4.037 1.00 0.00 O ATOM 164 CB HIS A 14 -1.350 -11.782 -1.921 1.00 0.00 C ATOM 165 CG HIS A 14 -1.058 -12.149 -3.343 1.00 0.00 C ATOM 166 ND1 HIS A 14 -1.910 -12.913 -4.113 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.003 -11.850 -4.136 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.390 -13.070 -5.317 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.233 -12.434 -5.358 1.00 0.00 N ATOM 0 H HIS A 14 -4.008 -11.261 -2.724 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.074 -10.089 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.411 -11.579 -1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.809 -12.635 -1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.859 -11.262 -3.860 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.835 -13.624 -6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.388 -12.385 -6.165 1.00 0.00 H new ATOM 178 N LEU A 15 -1.282 -8.489 -2.543 1.00 0.00 N ATOM 179 CA LEU A 15 -0.942 -7.453 -3.512 1.00 0.00 C ATOM 180 C LEU A 15 0.571 -7.304 -3.640 1.00 0.00 C ATOM 181 O LEU A 15 1.317 -7.633 -2.718 1.00 0.00 O ATOM 182 CB LEU A 15 -1.564 -6.117 -3.100 1.00 0.00 C ATOM 183 CG LEU A 15 -1.572 -5.023 -4.168 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.713 -5.243 -5.149 1.00 0.00 C ATOM 185 CD2 LEU A 15 -1.678 -3.649 -3.523 1.00 0.00 C ATOM 0 H LEU A 15 -0.940 -8.312 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.344 -7.750 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.592 -6.299 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.027 -5.742 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.633 -5.072 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.703 -4.455 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.593 -6.211 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.662 -5.221 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.682 -2.883 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.601 -3.588 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.826 -3.491 -2.861 1.00 0.00 H new ATOM 197 N ALA A 16 1.016 -6.803 -4.788 1.00 0.00 N ATOM 198 CA ALA A 16 2.439 -6.606 -5.035 1.00 0.00 C ATOM 199 C ALA A 16 2.844 -5.157 -4.789 1.00 0.00 C ATOM 200 O ALA A 16 2.126 -4.229 -5.164 1.00 0.00 O ATOM 201 CB ALA A 16 2.790 -7.020 -6.456 1.00 0.00 C ATOM 0 H ALA A 16 0.411 -6.526 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 16 2.994 -7.234 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.856 -6.868 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.547 -8.073 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.220 -6.417 -7.162 1.00 0.00 H new ATOM 207 N VAL A 17 3.997 -4.968 -4.154 1.00 0.00 N ATOM 208 CA VAL A 17 4.497 -3.631 -3.858 1.00 0.00 C ATOM 209 C VAL A 17 5.897 -3.430 -4.426 1.00 0.00 C ATOM 210 O VAL A 17 6.698 -4.363 -4.478 1.00 0.00 O ATOM 211 CB VAL A 17 4.527 -3.367 -2.341 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.063 -1.973 -2.053 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.141 -3.548 -1.741 1.00 0.00 C ATOM 0 H VAL A 17 4.602 -5.725 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 17 3.813 -2.925 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 17 5.196 -4.091 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.077 -1.804 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.075 -1.884 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.421 -1.231 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.181 -3.358 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.448 -2.848 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.799 -4.568 -1.916 1.00 0.00 H new ATOM 223 N LYS A 18 6.187 -2.205 -4.852 1.00 0.00 N ATOM 224 CA LYS A 18 7.491 -1.879 -5.415 1.00 0.00 C ATOM 225 C LYS A 18 7.880 -0.440 -5.088 1.00 0.00 C ATOM 226 O LYS A 18 7.092 0.486 -5.284 1.00 0.00 O ATOM 227 CB LYS A 18 7.481 -2.083 -6.931 1.00 0.00 C ATOM 228 CG LYS A 18 7.584 -3.540 -7.349 1.00 0.00 C ATOM 229 CD LYS A 18 8.985 -4.085 -7.129 1.00 0.00 C ATOM 230 CE LYS A 18 10.002 -3.386 -8.019 1.00 0.00 C ATOM 231 NZ LYS A 18 11.220 -4.215 -8.227 1.00 0.00 N ATOM 0 H LYS A 18 5.535 -1.421 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 18 8.228 -2.547 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.563 -1.660 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.311 -1.528 -7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.868 -4.134 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.316 -3.638 -8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.266 -3.957 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.996 -5.156 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.547 -3.161 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.283 -2.434 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.724 -3.885 -9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.843 -4.130 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.945 -5.210 -8.353 1.00 0.00 H new ATOM 245 N LEU A 19 9.099 -0.260 -4.592 1.00 0.00 N ATOM 246 CA LEU A 19 9.594 1.066 -4.240 1.00 0.00 C ATOM 247 C LEU A 19 10.034 1.831 -5.484 1.00 0.00 C ATOM 248 O LEU A 19 11.081 1.544 -6.063 1.00 0.00 O ATOM 249 CB LEU A 19 10.760 0.953 -3.257 1.00 0.00 C ATOM 250 CG LEU A 19 11.118 2.226 -2.490 1.00 0.00 C ATOM 251 CD1 LEU A 19 9.998 2.606 -1.534 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.427 2.045 -1.736 1.00 0.00 C ATOM 0 H LEU A 19 9.763 -1.016 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 19 8.781 1.616 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.525 0.172 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.642 0.624 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 19 11.245 3.036 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.271 3.514 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.081 2.779 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.838 1.797 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.666 2.961 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.328 1.222 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.226 1.822 -2.443 1.00 0.00 H new ATOM 264 N ALA A 20 9.229 2.808 -5.888 1.00 0.00 N ATOM 265 CA ALA A 20 9.538 3.617 -7.060 1.00 0.00 C ATOM 266 C ALA A 20 10.900 4.287 -6.922 1.00 0.00 C ATOM 267 O ALA A 20 11.641 4.417 -7.897 1.00 0.00 O ATOM 268 CB ALA A 20 8.454 4.662 -7.281 1.00 0.00 C ATOM 0 H ALA A 20 8.358 3.058 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 20 9.574 2.957 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.698 5.259 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.496 4.166 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.391 5.311 -6.408 1.00 0.00 H new ATOM 274 N ASP A 21 11.225 4.710 -5.705 1.00 0.00 N ATOM 275 CA ASP A 21 12.500 5.366 -5.439 1.00 0.00 C ATOM 276 C ASP A 21 13.667 4.438 -5.760 1.00 0.00 C ATOM 277 O ASP A 21 14.701 4.876 -6.262 1.00 0.00 O ATOM 278 CB ASP A 21 12.573 5.811 -3.977 1.00 0.00 C ATOM 279 CG ASP A 21 11.553 6.883 -3.647 1.00 0.00 C ATOM 280 OD1 ASP A 21 10.344 6.570 -3.641 1.00 0.00 O ATOM 281 OD2 ASP A 21 11.963 8.036 -3.394 1.00 0.00 O ATOM 0 H ASP A 21 10.623 4.610 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 21 12.570 6.243 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.412 4.949 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.574 6.188 -3.764 1.00 0.00 H new ATOM 286 N GLN A 22 13.493 3.153 -5.464 1.00 0.00 N ATOM 287 CA GLN A 22 14.533 2.164 -5.720 1.00 0.00 C ATOM 288 C GLN A 22 14.015 1.052 -6.627 1.00 0.00 C ATOM 289 O GLN A 22 13.401 0.085 -6.177 1.00 0.00 O ATOM 290 CB GLN A 22 15.037 1.570 -4.403 1.00 0.00 C ATOM 291 CG GLN A 22 15.445 2.618 -3.381 1.00 0.00 C ATOM 292 CD GLN A 22 16.368 2.064 -2.314 1.00 0.00 C ATOM 293 OE1 GLN A 22 15.787 1.568 -1.227 1.00 0.00 O flip ATOM 294 NE2 GLN A 22 17.590 2.080 -2.464 1.00 0.00 N flip ATOM 0 H GLN A 22 12.643 2.774 -5.047 1.00 0.00 H new ATOM 0 HA GLN A 22 15.359 2.665 -6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.256 0.941 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.890 0.923 -4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.940 3.444 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.552 3.025 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.994 2.471 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.198 1.703 -1.737 1.00 0.00 H new ATOM 303 N PRO A 23 14.268 1.191 -7.937 1.00 0.00 N ATOM 304 CA PRO A 23 13.836 0.208 -8.935 1.00 0.00 C ATOM 305 C PRO A 23 14.605 -1.104 -8.826 1.00 0.00 C ATOM 306 O PRO A 23 14.232 -2.106 -9.438 1.00 0.00 O ATOM 307 CB PRO A 23 14.141 0.898 -10.267 1.00 0.00 C ATOM 308 CG PRO A 23 15.238 1.857 -9.955 1.00 0.00 C ATOM 309 CD PRO A 23 14.995 2.319 -8.545 1.00 0.00 C ATOM 0 HA PRO A 23 12.788 -0.066 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.449 0.177 -11.025 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.263 1.414 -10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.213 1.378 -10.046 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.230 2.698 -10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.929 2.523 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.408 3.237 -8.518 1.00 0.00 H new ATOM 317 N LEU A 24 15.679 -1.092 -8.044 1.00 0.00 N ATOM 318 CA LEU A 24 16.500 -2.283 -7.855 1.00 0.00 C ATOM 319 C LEU A 24 15.992 -3.113 -6.680 1.00 0.00 C ATOM 320 O LEU A 24 16.044 -4.343 -6.708 1.00 0.00 O ATOM 321 CB LEU A 24 17.959 -1.888 -7.622 1.00 0.00 C ATOM 322 CG LEU A 24 18.553 -0.893 -8.620 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.849 -0.307 -8.082 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.786 -1.563 -9.966 1.00 0.00 C ATOM 0 H LEU A 24 16.001 -0.271 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 24 16.434 -2.888 -8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.044 -1.463 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.566 -2.793 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 24 17.841 -0.079 -8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 24 20.257 0.399 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.652 0.209 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.568 -1.109 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.209 -0.840 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.478 -2.396 -9.843 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.838 -1.933 -10.357 1.00 0.00 H new ATOM 336 N ALA A 25 15.500 -2.433 -5.650 1.00 0.00 N ATOM 337 CA ALA A 25 14.979 -3.108 -4.468 1.00 0.00 C ATOM 338 C ALA A 25 14.009 -4.220 -4.854 1.00 0.00 C ATOM 339 O ALA A 25 13.307 -4.143 -5.862 1.00 0.00 O ATOM 340 CB ALA A 25 14.297 -2.107 -3.547 1.00 0.00 C ATOM 0 H ALA A 25 15.451 -1.415 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 25 15.818 -3.560 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.912 -2.625 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.017 -1.350 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.473 -1.629 -4.076 1.00 0.00 H new ATOM 346 N PRO A 26 13.968 -5.281 -4.034 1.00 0.00 N ATOM 347 CA PRO A 26 13.088 -6.430 -4.269 1.00 0.00 C ATOM 348 C PRO A 26 11.618 -6.087 -4.058 1.00 0.00 C ATOM 349 O PRO A 26 11.285 -5.006 -3.570 1.00 0.00 O ATOM 350 CB PRO A 26 13.554 -7.452 -3.229 1.00 0.00 C ATOM 351 CG PRO A 26 14.160 -6.635 -2.141 1.00 0.00 C ATOM 352 CD PRO A 26 14.777 -5.441 -2.814 1.00 0.00 C ATOM 0 HA PRO A 26 13.151 -6.788 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.720 -8.048 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.279 -8.146 -3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.405 -6.328 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.911 -7.207 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.730 -4.554 -2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.828 -5.610 -3.048 1.00 0.00 H new ATOM 360 N LYS A 27 10.740 -7.012 -4.429 1.00 0.00 N ATOM 361 CA LYS A 27 9.304 -6.809 -4.279 1.00 0.00 C ATOM 362 C LYS A 27 8.836 -7.233 -2.890 1.00 0.00 C ATOM 363 O LYS A 27 9.370 -8.176 -2.306 1.00 0.00 O ATOM 364 CB LYS A 27 8.542 -7.598 -5.347 1.00 0.00 C ATOM 365 CG LYS A 27 7.040 -7.628 -5.124 1.00 0.00 C ATOM 366 CD LYS A 27 6.310 -8.210 -6.324 1.00 0.00 C ATOM 367 CE LYS A 27 6.722 -9.651 -6.581 1.00 0.00 C ATOM 368 NZ LYS A 27 5.801 -10.329 -7.535 1.00 0.00 N ATOM 0 H LYS A 27 10.998 -7.911 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 27 9.098 -5.746 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.747 -7.162 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.918 -8.621 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.815 -8.220 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.679 -6.617 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.234 -8.163 -6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.521 -7.607 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.737 -9.673 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.736 -10.198 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.116 -11.309 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.837 -10.330 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.807 -9.822 -8.443 1.00 0.00 H new ATOM 382 N SER A 28 7.836 -6.530 -2.367 1.00 0.00 N ATOM 383 CA SER A 28 7.299 -6.832 -1.046 1.00 0.00 C ATOM 384 C SER A 28 5.806 -7.138 -1.123 1.00 0.00 C ATOM 385 O SER A 28 4.988 -6.241 -1.331 1.00 0.00 O ATOM 386 CB SER A 28 7.542 -5.660 -0.093 1.00 0.00 C ATOM 387 OG SER A 28 8.917 -5.541 0.228 1.00 0.00 O ATOM 0 H SER A 28 7.382 -5.748 -2.838 1.00 0.00 H new ATOM 0 HA SER A 28 7.814 -7.714 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.191 -4.736 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.963 -5.803 0.820 1.00 0.00 H new ATOM 0 HG SER A 28 9.046 -4.784 0.837 1.00 0.00 H new ATOM 393 N ILE A 29 5.460 -8.409 -0.955 1.00 0.00 N ATOM 394 CA ILE A 29 4.066 -8.834 -1.004 1.00 0.00 C ATOM 395 C ILE A 29 3.318 -8.414 0.256 1.00 0.00 C ATOM 396 O ILE A 29 3.715 -8.758 1.371 1.00 0.00 O ATOM 397 CB ILE A 29 3.949 -10.360 -1.173 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.683 -10.814 -2.436 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.486 -10.776 -1.225 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.993 -10.402 -3.717 1.00 0.00 C ATOM 0 H ILE A 29 6.125 -9.163 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 29 3.617 -8.345 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 29 4.414 -10.842 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.692 -10.402 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.782 -11.899 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.419 -11.857 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.991 -10.482 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.998 -10.287 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.569 -10.758 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.993 -10.836 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.918 -9.315 -3.757 1.00 0.00 H new ATOM 412 N LEU A 30 2.234 -7.669 0.073 1.00 0.00 N ATOM 413 CA LEU A 30 1.428 -7.202 1.196 1.00 0.00 C ATOM 414 C LEU A 30 0.154 -8.030 1.333 1.00 0.00 C ATOM 415 O LEU A 30 -0.429 -8.458 0.337 1.00 0.00 O ATOM 416 CB LEU A 30 1.073 -5.725 1.015 1.00 0.00 C ATOM 417 CG LEU A 30 0.500 -5.018 2.243 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.615 -4.614 3.196 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.315 -3.801 1.827 1.00 0.00 C ATOM 0 H LEU A 30 1.893 -7.375 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 30 2.015 -7.319 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.970 -5.192 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.351 -5.642 0.203 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.160 -5.713 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.188 -4.112 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.156 -5.503 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.301 -3.937 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.715 -3.310 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.323 -3.104 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.137 -4.116 1.185 1.00 0.00 H new ATOM 431 N GLN A 31 -0.273 -8.249 2.572 1.00 0.00 N ATOM 432 CA GLN A 31 -1.479 -9.024 2.838 1.00 0.00 C ATOM 433 C GLN A 31 -2.444 -8.243 3.725 1.00 0.00 C ATOM 434 O GLN A 31 -2.278 -8.190 4.944 1.00 0.00 O ATOM 435 CB GLN A 31 -1.120 -10.354 3.503 1.00 0.00 C ATOM 436 CG GLN A 31 -0.370 -11.308 2.589 1.00 0.00 C ATOM 437 CD GLN A 31 -0.050 -12.630 3.260 1.00 0.00 C ATOM 438 OE1 GLN A 31 0.092 -12.700 4.481 1.00 0.00 O ATOM 439 NE2 GLN A 31 0.065 -13.686 2.463 1.00 0.00 N ATOM 0 H GLN A 31 0.198 -7.901 3.407 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.970 -9.223 1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.512 -10.157 4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.034 -10.837 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.966 -11.493 1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.557 -10.838 2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.061 -13.581 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.279 -14.602 2.858 1.00 0.00 H new ATOM 448 N LEU A 32 -3.451 -7.638 3.105 1.00 0.00 N ATOM 449 CA LEU A 32 -4.443 -6.858 3.837 1.00 0.00 C ATOM 450 C LEU A 32 -5.374 -7.770 4.630 1.00 0.00 C ATOM 451 O LEU A 32 -5.606 -8.924 4.272 1.00 0.00 O ATOM 452 CB LEU A 32 -5.256 -5.995 2.872 1.00 0.00 C ATOM 453 CG LEU A 32 -6.066 -6.749 1.816 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.454 -7.079 2.344 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.160 -5.935 0.534 1.00 0.00 C ATOM 0 H LEU A 32 -3.602 -7.673 2.097 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.916 -6.210 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.941 -5.380 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.574 -5.316 2.361 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.553 -7.684 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.016 -7.615 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.366 -7.702 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.976 -6.156 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.740 -6.487 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.649 -4.984 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.158 -5.750 0.146 1.00 0.00 H new ATOM 467 N PRO A 33 -5.923 -7.240 5.734 1.00 0.00 N ATOM 468 CA PRO A 33 -6.840 -7.987 6.599 1.00 0.00 C ATOM 469 C PRO A 33 -8.187 -8.242 5.932 1.00 0.00 C ATOM 470 O PRO A 33 -8.453 -7.743 4.840 1.00 0.00 O ATOM 471 CB PRO A 33 -7.008 -7.071 7.813 1.00 0.00 C ATOM 472 CG PRO A 33 -6.728 -5.702 7.296 1.00 0.00 C ATOM 473 CD PRO A 33 -5.690 -5.870 6.221 1.00 0.00 C ATOM 0 HA PRO A 33 -6.454 -8.976 6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.015 -7.140 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.317 -7.342 8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.632 -5.243 6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.365 -5.051 8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.812 -5.135 5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.681 -5.749 6.614 1.00 0.00 H new ATOM 481 N GLU A 34 -9.033 -9.023 6.598 1.00 0.00 N ATOM 482 CA GLU A 34 -10.353 -9.343 6.068 1.00 0.00 C ATOM 483 C GLU A 34 -11.347 -8.226 6.371 1.00 0.00 C ATOM 484 O GLU A 34 -11.155 -7.443 7.302 1.00 0.00 O ATOM 485 CB GLU A 34 -10.857 -10.662 6.657 1.00 0.00 C ATOM 486 CG GLU A 34 -12.144 -11.161 6.022 1.00 0.00 C ATOM 487 CD GLU A 34 -12.616 -12.475 6.613 1.00 0.00 C ATOM 488 OE1 GLU A 34 -11.923 -13.496 6.416 1.00 0.00 O ATOM 489 OE2 GLU A 34 -13.677 -12.484 7.271 1.00 0.00 O ATOM 0 H GLU A 34 -8.828 -9.445 7.504 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.267 -9.445 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.085 -11.422 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.016 -10.535 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.923 -10.409 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.992 -11.283 4.950 1.00 0.00 H new ATOM 496 N THR A 35 -12.412 -8.157 5.577 1.00 0.00 N ATOM 497 CA THR A 35 -13.435 -7.135 5.758 1.00 0.00 C ATOM 498 C THR A 35 -14.819 -7.761 5.888 1.00 0.00 C ATOM 499 O THR A 35 -14.996 -8.954 5.646 1.00 0.00 O ATOM 500 CB THR A 35 -13.444 -6.136 4.586 1.00 0.00 C ATOM 501 OG1 THR A 35 -14.353 -5.064 4.863 1.00 0.00 O ATOM 502 CG2 THR A 35 -13.845 -6.825 3.290 1.00 0.00 C ATOM 0 H THR A 35 -12.588 -8.797 4.803 1.00 0.00 H new ATOM 0 HA THR A 35 -13.192 -6.603 6.677 1.00 0.00 H new ATOM 0 HB THR A 35 -12.436 -5.737 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.352 -4.432 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.844 -6.099 2.477 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.135 -7.621 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.844 -7.249 3.397 1.00 0.00 H new ATOM 510 N GLU A 36 -15.798 -6.947 6.272 1.00 0.00 N ATOM 511 CA GLU A 36 -17.166 -7.422 6.435 1.00 0.00 C ATOM 512 C GLU A 36 -17.676 -8.064 5.147 1.00 0.00 C ATOM 513 O GLU A 36 -18.337 -9.103 5.177 1.00 0.00 O ATOM 514 CB GLU A 36 -18.086 -6.269 6.841 1.00 0.00 C ATOM 515 CG GLU A 36 -18.354 -5.280 5.719 1.00 0.00 C ATOM 516 CD GLU A 36 -19.401 -4.247 6.089 1.00 0.00 C ATOM 517 OE1 GLU A 36 -20.602 -4.517 5.880 1.00 0.00 O ATOM 518 OE2 GLU A 36 -19.018 -3.169 6.588 1.00 0.00 O ATOM 0 H GLU A 36 -15.668 -5.956 6.476 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.170 -8.175 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -19.035 -6.678 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.640 -5.739 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.425 -4.773 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.682 -5.822 4.832 1.00 0.00 H new ATOM 525 N LEU A 37 -17.364 -7.438 4.018 1.00 0.00 N ATOM 526 CA LEU A 37 -17.789 -7.947 2.719 1.00 0.00 C ATOM 527 C LEU A 37 -17.198 -9.328 2.454 1.00 0.00 C ATOM 528 O LEU A 37 -17.917 -10.269 2.120 1.00 0.00 O ATOM 529 CB LEU A 37 -17.373 -6.980 1.609 1.00 0.00 C ATOM 530 CG LEU A 37 -18.389 -5.898 1.245 1.00 0.00 C ATOM 531 CD1 LEU A 37 -19.761 -6.511 1.010 1.00 0.00 C ATOM 532 CD2 LEU A 37 -18.456 -4.840 2.337 1.00 0.00 C ATOM 0 H LEU A 37 -16.818 -6.577 3.976 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.876 -8.034 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.445 -6.493 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.154 -7.560 0.713 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.065 -5.419 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.471 -5.725 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.703 -7.230 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.093 -7.017 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.184 -4.078 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.756 -5.305 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.476 -4.379 2.457 1.00 0.00 H new ATOM 544 N GLY A 38 -15.883 -9.443 2.608 1.00 0.00 N ATOM 545 CA GLY A 38 -15.217 -10.713 2.384 1.00 0.00 C ATOM 546 C GLY A 38 -13.896 -10.555 1.659 1.00 0.00 C ATOM 547 O GLY A 38 -13.194 -9.561 1.844 1.00 0.00 O ATOM 0 H GLY A 38 -15.266 -8.679 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.046 -11.204 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.870 -11.365 1.804 1.00 0.00 H new ATOM 551 N GLU A 39 -13.554 -11.539 0.833 1.00 0.00 N ATOM 552 CA GLU A 39 -12.306 -11.505 0.080 1.00 0.00 C ATOM 553 C GLU A 39 -12.577 -11.473 -1.421 1.00 0.00 C ATOM 554 O GLU A 39 -11.870 -10.804 -2.176 1.00 0.00 O ATOM 555 CB GLU A 39 -11.442 -12.719 0.428 1.00 0.00 C ATOM 556 CG GLU A 39 -12.147 -14.048 0.216 1.00 0.00 C ATOM 557 CD GLU A 39 -11.480 -15.188 0.963 1.00 0.00 C ATOM 558 OE1 GLU A 39 -11.181 -15.015 2.163 1.00 0.00 O ATOM 559 OE2 GLU A 39 -11.257 -16.251 0.347 1.00 0.00 O ATOM 0 H GLU A 39 -14.124 -12.369 0.669 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.770 -10.596 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.537 -12.696 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.129 -12.645 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.183 -13.962 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.167 -14.279 -0.849 1.00 0.00 H new ATOM 566 N TYR A 40 -13.604 -12.200 -1.847 1.00 0.00 N ATOM 567 CA TYR A 40 -13.967 -12.257 -3.258 1.00 0.00 C ATOM 568 C TYR A 40 -14.224 -10.859 -3.811 1.00 0.00 C ATOM 569 O TYR A 40 -14.306 -10.665 -5.024 1.00 0.00 O ATOM 570 CB TYR A 40 -15.208 -13.131 -3.451 1.00 0.00 C ATOM 571 CG TYR A 40 -16.119 -13.164 -2.245 1.00 0.00 C ATOM 572 CD1 TYR A 40 -16.358 -12.018 -1.498 1.00 0.00 C ATOM 573 CD2 TYR A 40 -16.742 -14.343 -1.854 1.00 0.00 C ATOM 574 CE1 TYR A 40 -17.189 -12.044 -0.395 1.00 0.00 C ATOM 575 CE2 TYR A 40 -17.576 -14.378 -0.753 1.00 0.00 C ATOM 576 CZ TYR A 40 -17.796 -13.226 -0.027 1.00 0.00 C ATOM 577 OH TYR A 40 -18.626 -13.256 1.071 1.00 0.00 O ATOM 0 H TYR A 40 -14.200 -12.758 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.133 -12.696 -3.805 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.770 -12.765 -4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.893 -14.148 -3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.886 -11.090 -1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.571 -15.247 -2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.362 -11.144 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.053 -15.302 -0.462 1.00 0.00 H new ATOM 0 HH TYR A 40 -18.560 -12.406 1.554 1.00 0.00 H new ATOM 587 N SER A 41 -14.350 -9.888 -2.913 1.00 0.00 N ATOM 588 CA SER A 41 -14.601 -8.507 -3.310 1.00 0.00 C ATOM 589 C SER A 41 -14.577 -7.581 -2.098 1.00 0.00 C ATOM 590 O SER A 41 -15.372 -7.733 -1.169 1.00 0.00 O ATOM 591 CB SER A 41 -15.950 -8.397 -4.024 1.00 0.00 C ATOM 592 OG SER A 41 -17.007 -8.831 -3.186 1.00 0.00 O ATOM 0 H SER A 41 -14.282 -10.031 -1.905 1.00 0.00 H new ATOM 0 HA SER A 41 -13.810 -8.202 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.122 -7.364 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.933 -8.997 -4.934 1.00 0.00 H new ATOM 0 HG SER A 41 -16.746 -8.723 -2.248 1.00 0.00 H new ATOM 598 N LEU A 42 -13.660 -6.620 -2.114 1.00 0.00 N ATOM 599 CA LEU A 42 -13.530 -5.667 -1.017 1.00 0.00 C ATOM 600 C LEU A 42 -14.381 -4.426 -1.270 1.00 0.00 C ATOM 601 O LEU A 42 -15.279 -4.108 -0.493 1.00 0.00 O ATOM 602 CB LEU A 42 -12.065 -5.267 -0.834 1.00 0.00 C ATOM 603 CG LEU A 42 -11.041 -6.395 -0.957 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.630 -5.858 -0.767 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.335 -7.495 0.051 1.00 0.00 C ATOM 0 H LEU A 42 -12.995 -6.480 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.885 -6.148 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.823 -4.502 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.954 -4.809 0.149 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.115 -6.819 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.914 -6.675 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.421 -5.106 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.542 -5.407 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.596 -8.289 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.290 -7.085 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.330 -7.900 -0.132 1.00 0.00 H new ATOM 617 N GLY A 43 -14.092 -3.730 -2.366 1.00 0.00 N ATOM 618 CA GLY A 43 -14.840 -2.534 -2.703 1.00 0.00 C ATOM 619 C GLY A 43 -15.278 -1.758 -1.476 1.00 0.00 C ATOM 620 O GLY A 43 -16.461 -1.729 -1.142 1.00 0.00 O ATOM 0 H GLY A 43 -13.353 -3.974 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.227 -1.892 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.718 -2.811 -3.286 1.00 0.00 H new ATOM 624 N GLY A 44 -14.320 -1.129 -0.802 1.00 0.00 N ATOM 625 CA GLY A 44 -14.632 -0.361 0.388 1.00 0.00 C ATOM 626 C GLY A 44 -13.395 0.218 1.046 1.00 0.00 C ATOM 627 O GLY A 44 -13.460 1.260 1.698 1.00 0.00 O ATOM 0 H GLY A 44 -13.333 -1.138 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.313 0.449 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.154 -0.998 1.101 1.00 0.00 H new ATOM 631 N TYR A 45 -12.266 -0.460 0.877 1.00 0.00 N ATOM 632 CA TYR A 45 -11.009 -0.010 1.463 1.00 0.00 C ATOM 633 C TYR A 45 -10.577 1.326 0.866 1.00 0.00 C ATOM 634 O TYR A 45 -10.440 1.460 -0.350 1.00 0.00 O ATOM 635 CB TYR A 45 -9.915 -1.057 1.244 1.00 0.00 C ATOM 636 CG TYR A 45 -9.857 -2.107 2.330 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.471 -1.777 3.623 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.186 -3.430 2.063 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.415 -2.733 4.619 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.135 -4.393 3.052 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.749 -4.040 4.328 1.00 0.00 C ATOM 642 OH TYR A 45 -9.695 -4.996 5.316 1.00 0.00 O ATOM 0 H TYR A 45 -12.195 -1.324 0.339 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.165 0.124 2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.080 -1.547 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.950 -0.555 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.210 -0.755 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.487 -3.711 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.112 -2.459 5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.396 -5.417 2.827 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.248 -5.797 4.972 1.00 0.00 H new ATOM 652 N SER A 46 -10.362 2.312 1.731 1.00 0.00 N ATOM 653 CA SER A 46 -9.949 3.639 1.290 1.00 0.00 C ATOM 654 C SER A 46 -8.446 3.680 1.027 1.00 0.00 C ATOM 655 O SER A 46 -7.646 3.291 1.878 1.00 0.00 O ATOM 656 CB SER A 46 -10.323 4.688 2.339 1.00 0.00 C ATOM 657 OG SER A 46 -9.441 4.639 3.447 1.00 0.00 O ATOM 0 H SER A 46 -10.467 2.217 2.741 1.00 0.00 H new ATOM 0 HA SER A 46 -10.470 3.864 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.294 5.681 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.346 4.520 2.677 1.00 0.00 H new ATOM 0 HG SER A 46 -9.700 5.320 4.102 1.00 0.00 H new ATOM 663 N ILE A 47 -8.072 4.154 -0.157 1.00 0.00 N ATOM 664 CA ILE A 47 -6.667 4.247 -0.532 1.00 0.00 C ATOM 665 C ILE A 47 -5.795 4.572 0.677 1.00 0.00 C ATOM 666 O ILE A 47 -4.741 3.968 0.875 1.00 0.00 O ATOM 667 CB ILE A 47 -6.443 5.320 -1.615 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.064 4.874 -2.940 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.957 5.597 -1.786 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.457 3.605 -3.496 1.00 0.00 C ATOM 0 H ILE A 47 -8.722 4.479 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.382 3.274 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.930 6.243 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.134 4.723 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.950 5.673 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.815 6.357 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.542 5.952 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.448 4.680 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.946 3.349 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.392 3.757 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.595 2.793 -2.782 1.00 0.00 H new ATOM 682 N SER A 48 -6.244 5.529 1.483 1.00 0.00 N ATOM 683 CA SER A 48 -5.504 5.935 2.672 1.00 0.00 C ATOM 684 C SER A 48 -5.061 4.719 3.479 1.00 0.00 C ATOM 685 O SER A 48 -3.886 4.579 3.819 1.00 0.00 O ATOM 686 CB SER A 48 -6.363 6.854 3.543 1.00 0.00 C ATOM 687 OG SER A 48 -5.633 7.322 4.664 1.00 0.00 O ATOM 0 H SER A 48 -7.116 6.037 1.334 1.00 0.00 H new ATOM 0 HA SER A 48 -4.615 6.477 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.710 7.701 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.249 6.317 3.881 1.00 0.00 H new ATOM 0 HG SER A 48 -6.203 7.908 5.204 1.00 0.00 H new ATOM 693 N PHE A 49 -6.011 3.840 3.782 1.00 0.00 N ATOM 694 CA PHE A 49 -5.721 2.635 4.550 1.00 0.00 C ATOM 695 C PHE A 49 -4.468 1.942 4.021 1.00 0.00 C ATOM 696 O PHE A 49 -3.453 1.857 4.713 1.00 0.00 O ATOM 697 CB PHE A 49 -6.910 1.673 4.498 1.00 0.00 C ATOM 698 CG PHE A 49 -6.721 0.441 5.337 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.515 0.543 6.704 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.751 -0.818 4.760 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.340 -0.589 7.478 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.578 -1.953 5.529 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.373 -1.838 6.890 1.00 0.00 C ATOM 0 H PHE A 49 -6.988 3.940 3.507 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.544 2.927 5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.806 2.197 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.082 1.376 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.491 1.517 7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.912 -0.914 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.178 -0.497 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.603 -2.929 5.066 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.239 -2.724 7.493 1.00 0.00 H new ATOM 713 N LEU A 50 -4.548 1.447 2.791 1.00 0.00 N ATOM 714 CA LEU A 50 -3.422 0.760 2.168 1.00 0.00 C ATOM 715 C LEU A 50 -2.120 1.518 2.411 1.00 0.00 C ATOM 716 O LEU A 50 -1.171 0.977 2.978 1.00 0.00 O ATOM 717 CB LEU A 50 -3.662 0.603 0.666 1.00 0.00 C ATOM 718 CG LEU A 50 -4.474 -0.620 0.240 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.883 -0.507 -1.221 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.678 -1.896 0.475 1.00 0.00 C ATOM 0 H LEU A 50 -5.381 1.508 2.205 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.336 -0.228 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.172 1.496 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.694 0.564 0.166 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.378 -0.662 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.460 -1.387 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.491 0.387 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.991 -0.440 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.271 -2.757 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.757 -1.863 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.435 -1.984 1.534 1.00 0.00 H new ATOM 732 N LYS A 51 -2.084 2.774 1.978 1.00 0.00 N ATOM 733 CA LYS A 51 -0.901 3.609 2.150 1.00 0.00 C ATOM 734 C LYS A 51 -0.247 3.353 3.504 1.00 0.00 C ATOM 735 O LYS A 51 0.961 3.524 3.662 1.00 0.00 O ATOM 736 CB LYS A 51 -1.273 5.088 2.023 1.00 0.00 C ATOM 737 CG LYS A 51 -1.297 5.587 0.589 1.00 0.00 C ATOM 738 CD LYS A 51 -1.918 6.971 0.491 1.00 0.00 C ATOM 739 CE LYS A 51 -1.599 7.632 -0.842 1.00 0.00 C ATOM 740 NZ LYS A 51 -1.954 9.078 -0.842 1.00 0.00 N ATOM 0 H LYS A 51 -2.861 3.236 1.505 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.188 3.351 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.254 5.247 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.561 5.684 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.281 5.614 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.861 4.889 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.999 6.895 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.549 7.595 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.537 7.519 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.143 7.124 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.722 9.492 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.972 9.185 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.416 9.567 -0.099 1.00 0.00 H new ATOM 754 N GLN A 52 -1.053 2.941 4.478 1.00 0.00 N ATOM 755 CA GLN A 52 -0.551 2.661 5.818 1.00 0.00 C ATOM 756 C GLN A 52 0.065 1.268 5.888 1.00 0.00 C ATOM 757 O GLN A 52 1.114 1.071 6.504 1.00 0.00 O ATOM 758 CB GLN A 52 -1.679 2.785 6.844 1.00 0.00 C ATOM 759 CG GLN A 52 -2.376 4.135 6.821 1.00 0.00 C ATOM 760 CD GLN A 52 -2.985 4.501 8.160 1.00 0.00 C ATOM 761 OE1 GLN A 52 -2.972 3.704 9.099 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.521 5.712 8.256 1.00 0.00 N ATOM 0 H GLN A 52 -2.056 2.794 4.364 1.00 0.00 H new ATOM 0 HA GLN A 52 0.223 3.393 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.415 2.002 6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.273 2.612 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.661 4.904 6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.158 4.123 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.510 6.340 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.944 6.014 9.133 1.00 0.00 H new ATOM 771 N LEU A 53 -0.592 0.303 5.254 1.00 0.00 N ATOM 772 CA LEU A 53 -0.109 -1.074 5.245 1.00 0.00 C ATOM 773 C LEU A 53 1.215 -1.181 4.495 1.00 0.00 C ATOM 774 O LEU A 53 2.212 -1.654 5.042 1.00 0.00 O ATOM 775 CB LEU A 53 -1.148 -1.995 4.603 1.00 0.00 C ATOM 776 CG LEU A 53 -2.392 -2.291 5.441 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.483 -1.272 5.155 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.893 -3.702 5.171 1.00 0.00 C ATOM 0 H LEU A 53 -1.461 0.448 4.739 1.00 0.00 H new ATOM 0 HA LEU A 53 0.053 -1.384 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.467 -1.549 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.665 -2.941 4.360 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.123 -2.218 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.361 -1.499 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.121 -0.273 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.751 -1.312 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.779 -3.896 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.145 -3.803 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.114 -4.420 5.428 1.00 0.00 H new ATOM 790 N ILE A 54 1.218 -0.737 3.243 1.00 0.00 N ATOM 791 CA ILE A 54 2.420 -0.780 2.420 1.00 0.00 C ATOM 792 C ILE A 54 3.571 -0.038 3.090 1.00 0.00 C ATOM 793 O ILE A 54 4.664 -0.581 3.250 1.00 0.00 O ATOM 794 CB ILE A 54 2.172 -0.171 1.028 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.100 -0.968 0.282 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.465 -0.134 0.228 1.00 0.00 C ATOM 797 CD1 ILE A 54 -0.306 -0.465 0.525 1.00 0.00 C ATOM 0 H ILE A 54 0.401 -0.343 2.776 1.00 0.00 H new ATOM 0 HA ILE A 54 2.686 -1.831 2.305 1.00 0.00 H new ATOM 0 HB ILE A 54 1.816 0.852 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.310 -0.932 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.160 -2.014 0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.273 0.299 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.202 0.473 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.848 -1.147 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.013 -1.077 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.536 -0.527 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.383 0.571 0.197 1.00 0.00 H new ATOM 809 N ALA A 55 3.318 1.207 3.481 1.00 0.00 N ATOM 810 CA ALA A 55 4.332 2.023 4.138 1.00 0.00 C ATOM 811 C ALA A 55 4.928 1.296 5.338 1.00 0.00 C ATOM 812 O ALA A 55 6.094 1.492 5.679 1.00 0.00 O ATOM 813 CB ALA A 55 3.739 3.357 4.566 1.00 0.00 C ATOM 0 H ALA A 55 2.419 1.673 3.354 1.00 0.00 H new ATOM 0 HA ALA A 55 5.134 2.208 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.507 3.956 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.368 3.888 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.917 3.184 5.260 1.00 0.00 H new ATOM 819 N GLY A 56 4.120 0.456 5.978 1.00 0.00 N ATOM 820 CA GLY A 56 4.586 -0.286 7.135 1.00 0.00 C ATOM 821 C GLY A 56 5.584 -1.365 6.767 1.00 0.00 C ATOM 822 O GLY A 56 6.377 -1.799 7.603 1.00 0.00 O ATOM 0 H GLY A 56 3.151 0.276 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.045 0.403 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.733 -0.741 7.639 1.00 0.00 H new ATOM 826 N LYS A 57 5.546 -1.802 5.513 1.00 0.00 N ATOM 827 CA LYS A 57 6.455 -2.838 5.035 1.00 0.00 C ATOM 828 C LYS A 57 7.690 -2.222 4.387 1.00 0.00 C ATOM 829 O LYS A 57 8.800 -2.736 4.530 1.00 0.00 O ATOM 830 CB LYS A 57 5.741 -3.748 4.033 1.00 0.00 C ATOM 831 CG LYS A 57 5.002 -4.906 4.682 1.00 0.00 C ATOM 832 CD LYS A 57 5.957 -6.010 5.105 1.00 0.00 C ATOM 833 CE LYS A 57 5.270 -7.367 5.115 1.00 0.00 C ATOM 834 NZ LYS A 57 6.151 -8.430 5.673 1.00 0.00 N ATOM 0 H LYS A 57 4.895 -1.455 4.809 1.00 0.00 H new ATOM 0 HA LYS A 57 6.774 -3.430 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.033 -3.154 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.473 -4.144 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.452 -4.546 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.267 -5.307 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.808 -6.037 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.350 -5.792 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.355 -7.307 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.978 -7.634 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.647 -9.340 5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.013 -8.505 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.410 -8.189 6.651 1.00 0.00 H new ATOM 848 N LEU A 58 7.492 -1.117 3.677 1.00 0.00 N ATOM 849 CA LEU A 58 8.591 -0.429 3.008 1.00 0.00 C ATOM 850 C LEU A 58 9.454 0.324 4.015 1.00 0.00 C ATOM 851 O LEU A 58 10.408 1.006 3.640 1.00 0.00 O ATOM 852 CB LEU A 58 8.047 0.541 1.958 1.00 0.00 C ATOM 853 CG LEU A 58 6.973 -0.014 1.023 1.00 0.00 C ATOM 854 CD1 LEU A 58 6.452 1.077 0.100 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.521 -1.182 0.215 1.00 0.00 C ATOM 0 H LEU A 58 6.580 -0.678 3.550 1.00 0.00 H new ATOM 0 HA LEU A 58 9.211 -1.178 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.638 1.410 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.881 0.893 1.351 1.00 0.00 H new ATOM 0 HG LEU A 58 6.142 -0.375 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.688 0.663 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.020 1.882 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.273 1.469 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.743 -1.565 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.369 -0.846 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.844 -1.973 0.892 1.00 0.00 H new ATOM 867 N GLN A 59 9.115 0.194 5.293 1.00 0.00 N ATOM 868 CA GLN A 59 9.860 0.861 6.353 1.00 0.00 C ATOM 869 C GLN A 59 11.338 0.973 5.992 1.00 0.00 C ATOM 870 O GLN A 59 11.991 1.965 6.312 1.00 0.00 O ATOM 871 CB GLN A 59 9.701 0.104 7.673 1.00 0.00 C ATOM 872 CG GLN A 59 9.451 -1.385 7.493 1.00 0.00 C ATOM 873 CD GLN A 59 9.462 -2.142 8.807 1.00 0.00 C ATOM 874 OE1 GLN A 59 10.315 -2.999 9.035 1.00 0.00 O ATOM 875 NE2 GLN A 59 8.513 -1.827 9.680 1.00 0.00 N ATOM 0 H GLN A 59 8.329 -0.368 5.619 1.00 0.00 H new ATOM 0 HA GLN A 59 9.455 1.867 6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.600 0.243 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.873 0.538 8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.489 -1.531 7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.212 -1.800 6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.826 -1.110 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.471 -2.302 10.582 1.00 0.00 H new ATOM 884 N GLU A 60 11.858 -0.052 5.324 1.00 0.00 N ATOM 885 CA GLU A 60 13.259 -0.069 4.922 1.00 0.00 C ATOM 886 C GLU A 60 13.711 1.316 4.467 1.00 0.00 C ATOM 887 O GLU A 60 14.763 1.804 4.880 1.00 0.00 O ATOM 888 CB GLU A 60 13.478 -1.083 3.797 1.00 0.00 C ATOM 889 CG GLU A 60 12.397 -1.052 2.730 1.00 0.00 C ATOM 890 CD GLU A 60 12.628 0.034 1.697 1.00 0.00 C ATOM 891 OE1 GLU A 60 13.774 0.520 1.595 1.00 0.00 O ATOM 892 OE2 GLU A 60 11.665 0.397 0.990 1.00 0.00 O ATOM 0 H GLU A 60 11.330 -0.881 5.050 1.00 0.00 H new ATOM 0 HA GLU A 60 13.855 -0.362 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.444 -0.891 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.525 -2.084 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.356 -2.020 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.428 -0.897 3.204 1.00 0.00 H new ATOM 899 N SER A 61 12.908 1.943 3.613 1.00 0.00 N ATOM 900 CA SER A 61 13.226 3.270 3.098 1.00 0.00 C ATOM 901 C SER A 61 12.124 4.266 3.446 1.00 0.00 C ATOM 902 O SER A 61 12.378 5.461 3.603 1.00 0.00 O ATOM 903 CB SER A 61 13.423 3.218 1.582 1.00 0.00 C ATOM 904 OG SER A 61 14.762 2.891 1.252 1.00 0.00 O ATOM 0 H SER A 61 12.033 1.553 3.263 1.00 0.00 H new ATOM 0 HA SER A 61 14.153 3.602 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.748 2.479 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.163 4.182 1.145 1.00 0.00 H new ATOM 0 HG SER A 61 14.885 1.920 1.309 1.00 0.00 H new ATOM 910 N VAL A 62 10.898 3.766 3.564 1.00 0.00 N ATOM 911 CA VAL A 62 9.756 4.610 3.894 1.00 0.00 C ATOM 912 C VAL A 62 9.711 4.915 5.387 1.00 0.00 C ATOM 913 O VAL A 62 9.468 4.039 6.217 1.00 0.00 O ATOM 914 CB VAL A 62 8.430 3.949 3.475 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.247 4.797 3.916 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.400 3.719 1.972 1.00 0.00 C ATOM 0 H VAL A 62 10.670 2.780 3.436 1.00 0.00 H new ATOM 0 HA VAL A 62 9.880 5.541 3.340 1.00 0.00 H new ATOM 0 HB VAL A 62 8.356 2.980 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.319 4.314 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.261 4.905 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.312 5.782 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.455 3.251 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.497 4.674 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.226 3.067 1.687 1.00 0.00 H new ATOM 926 N PRO A 63 9.950 6.187 5.739 1.00 0.00 N ATOM 927 CA PRO A 63 9.941 6.637 7.134 1.00 0.00 C ATOM 928 C PRO A 63 8.540 6.630 7.736 1.00 0.00 C ATOM 929 O PRO A 63 8.319 6.076 8.813 1.00 0.00 O ATOM 930 CB PRO A 63 10.479 8.067 7.048 1.00 0.00 C ATOM 931 CG PRO A 63 10.155 8.512 5.664 1.00 0.00 C ATOM 932 CD PRO A 63 10.246 7.283 4.802 1.00 0.00 C ATOM 0 HA PRO A 63 10.530 5.983 7.777 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.010 8.712 7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.553 8.098 7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.157 8.948 5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.853 9.278 5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.530 7.314 3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.236 7.176 4.358 1.00 0.00 H new ATOM 940 N ASP A 64 7.596 7.249 7.034 1.00 0.00 N ATOM 941 CA ASP A 64 6.216 7.313 7.499 1.00 0.00 C ATOM 942 C ASP A 64 5.243 7.248 6.325 1.00 0.00 C ATOM 943 O ASP A 64 5.564 7.629 5.200 1.00 0.00 O ATOM 944 CB ASP A 64 5.983 8.595 8.299 1.00 0.00 C ATOM 945 CG ASP A 64 6.258 8.412 9.779 1.00 0.00 C ATOM 946 OD1 ASP A 64 6.017 7.300 10.294 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.713 9.381 10.423 1.00 0.00 O ATOM 0 H ASP A 64 7.762 7.713 6.141 1.00 0.00 H new ATOM 0 HA ASP A 64 6.037 6.453 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.624 9.385 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.953 8.923 8.162 1.00 0.00 H new ATOM 952 N PRO A 65 4.026 6.751 6.592 1.00 0.00 N ATOM 953 CA PRO A 65 2.982 6.624 5.570 1.00 0.00 C ATOM 954 C PRO A 65 2.440 7.977 5.123 1.00 0.00 C ATOM 955 O PRO A 65 1.818 8.088 4.068 1.00 0.00 O ATOM 956 CB PRO A 65 1.890 5.818 6.278 1.00 0.00 C ATOM 957 CG PRO A 65 2.093 6.096 7.727 1.00 0.00 C ATOM 958 CD PRO A 65 3.575 6.277 7.911 1.00 0.00 C ATOM 0 HA PRO A 65 3.357 6.154 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.897 6.125 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.981 4.753 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.550 6.990 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.722 5.273 8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.797 7.000 8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.062 5.343 8.191 1.00 0.00 H new ATOM 966 N GLU A 66 2.682 9.003 5.933 1.00 0.00 N ATOM 967 CA GLU A 66 2.217 10.349 5.620 1.00 0.00 C ATOM 968 C GLU A 66 3.227 11.083 4.743 1.00 0.00 C ATOM 969 O GLU A 66 2.860 11.942 3.939 1.00 0.00 O ATOM 970 CB GLU A 66 1.971 11.141 6.906 1.00 0.00 C ATOM 971 CG GLU A 66 1.034 10.446 7.879 1.00 0.00 C ATOM 972 CD GLU A 66 0.251 11.423 8.734 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.462 12.273 8.159 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.349 11.338 9.976 1.00 0.00 O ATOM 0 H GLU A 66 3.197 8.928 6.810 1.00 0.00 H new ATOM 0 HA GLU A 66 1.279 10.263 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.926 11.321 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.556 12.116 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.339 9.818 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.612 9.786 8.525 1.00 0.00 H new ATOM 981 N LEU A 67 4.500 10.740 4.903 1.00 0.00 N ATOM 982 CA LEU A 67 5.565 11.366 4.127 1.00 0.00 C ATOM 983 C LEU A 67 5.781 10.631 2.808 1.00 0.00 C ATOM 984 O LEU A 67 6.855 10.712 2.210 1.00 0.00 O ATOM 985 CB LEU A 67 6.865 11.386 4.932 1.00 0.00 C ATOM 986 CG LEU A 67 6.739 11.795 6.400 1.00 0.00 C ATOM 987 CD1 LEU A 67 8.076 11.649 7.111 1.00 0.00 C ATOM 988 CD2 LEU A 67 6.225 13.222 6.514 1.00 0.00 C ATOM 0 H LEU A 67 4.820 10.032 5.563 1.00 0.00 H new ATOM 0 HA LEU A 67 5.266 12.391 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.311 10.392 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.561 12.068 4.444 1.00 0.00 H new ATOM 0 HG LEU A 67 6.020 11.132 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.967 11.944 8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.404 10.611 7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.816 12.287 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.142 13.496 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.919 13.900 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.245 13.295 6.041 1.00 0.00 H new ATOM 1000 N ILE A 68 4.755 9.916 2.359 1.00 0.00 N ATOM 1001 CA ILE A 68 4.832 9.170 1.110 1.00 0.00 C ATOM 1002 C ILE A 68 3.506 9.216 0.359 1.00 0.00 C ATOM 1003 O ILE A 68 2.525 9.779 0.845 1.00 0.00 O ATOM 1004 CB ILE A 68 5.220 7.699 1.355 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.216 7.036 2.300 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.629 7.611 1.922 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.052 6.386 1.586 1.00 0.00 C ATOM 0 H ILE A 68 3.860 9.838 2.842 1.00 0.00 H new ATOM 0 HA ILE A 68 5.605 9.645 0.506 1.00 0.00 H new ATOM 0 HB ILE A 68 5.199 7.168 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.732 6.283 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.834 7.784 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.889 6.566 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.333 8.051 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.676 8.153 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.381 5.936 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.511 7.138 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.424 5.614 0.912 1.00 0.00 H new ATOM 1019 N ASP A 69 3.483 8.618 -0.827 1.00 0.00 N ATOM 1020 CA ASP A 69 2.275 8.587 -1.645 1.00 0.00 C ATOM 1021 C ASP A 69 2.136 7.246 -2.358 1.00 0.00 C ATOM 1022 O ASP A 69 3.040 6.410 -2.314 1.00 0.00 O ATOM 1023 CB ASP A 69 2.298 9.724 -2.668 1.00 0.00 C ATOM 1024 CG ASP A 69 2.242 11.091 -2.015 1.00 0.00 C ATOM 1025 OD1 ASP A 69 1.149 11.484 -1.556 1.00 0.00 O ATOM 1026 OD2 ASP A 69 3.290 11.769 -1.965 1.00 0.00 O ATOM 0 H ASP A 69 4.287 8.148 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 69 1.416 8.718 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.204 9.649 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.453 9.614 -3.348 1.00 0.00 H new ATOM 1031 N LEU A 70 0.999 7.047 -3.015 1.00 0.00 N ATOM 1032 CA LEU A 70 0.740 5.806 -3.738 1.00 0.00 C ATOM 1033 C LEU A 70 0.430 6.086 -5.205 1.00 0.00 C ATOM 1034 O LEU A 70 -0.364 6.971 -5.524 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.423 5.051 -3.094 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.468 3.544 -3.349 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.736 2.860 -2.721 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.762 2.950 -2.811 1.00 0.00 C ATOM 0 H LEU A 70 0.242 7.728 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 70 1.638 5.190 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.385 5.216 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.356 5.488 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.435 3.376 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.687 1.788 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.651 3.264 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.735 3.036 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.777 1.877 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.826 3.129 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.612 3.418 -3.308 1.00 0.00 H new ATOM 1050 N ILE A 71 1.060 5.324 -6.093 1.00 0.00 N ATOM 1051 CA ILE A 71 0.848 5.488 -7.526 1.00 0.00 C ATOM 1052 C ILE A 71 0.412 4.177 -8.171 1.00 0.00 C ATOM 1053 O ILE A 71 0.980 3.120 -7.898 1.00 0.00 O ATOM 1054 CB ILE A 71 2.122 5.993 -8.229 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.664 7.236 -7.519 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.835 6.296 -9.692 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.719 8.416 -7.562 1.00 0.00 C ATOM 0 H ILE A 71 1.721 4.588 -5.846 1.00 0.00 H new ATOM 0 HA ILE A 71 0.058 6.229 -7.645 1.00 0.00 H new ATOM 0 HB ILE A 71 2.880 5.211 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.875 6.987 -6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.611 7.522 -7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.745 6.652 -10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.490 5.390 -10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.064 7.064 -9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.168 9.261 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.527 8.691 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.780 8.148 -7.078 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.600 4.254 -9.028 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.114 3.074 -9.712 1.00 0.00 C ATOM 1071 C TYR A 72 -1.524 3.408 -11.143 1.00 0.00 C ATOM 1072 O TYR A 72 -2.109 4.461 -11.403 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.308 2.496 -8.949 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.963 1.325 -9.647 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.535 0.024 -9.414 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.010 1.521 -10.540 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.130 -1.048 -10.049 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.612 0.454 -11.179 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.168 -0.828 -10.930 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.764 -1.893 -11.566 1.00 0.00 O ATOM 0 H TYR A 72 -1.081 5.122 -9.265 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.318 2.330 -9.746 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.978 2.180 -7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.049 3.281 -8.802 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.723 -0.152 -8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.359 2.524 -10.738 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.785 -2.053 -9.857 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.425 0.623 -11.869 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.478 -1.566 -12.152 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.214 2.505 -12.066 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.550 2.703 -13.472 1.00 0.00 C ATOM 1092 C CYS A 73 -1.050 4.057 -13.965 1.00 0.00 C ATOM 1093 O CYS A 73 -1.700 4.711 -14.780 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.062 2.599 -13.676 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.645 0.924 -14.030 1.00 0.00 S ATOM 0 H CYS A 73 -0.731 1.629 -11.867 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.058 1.922 -14.051 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.565 2.966 -12.781 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.353 3.255 -14.497 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.167 0.410 -12.956 1.00 0.00 H new ATOM 1101 N GLY A 74 0.109 4.473 -13.463 1.00 0.00 N ATOM 1102 CA GLY A 74 0.676 5.748 -13.863 1.00 0.00 C ATOM 1103 C GLY A 74 -0.142 6.925 -13.370 1.00 0.00 C ATOM 1104 O GLY A 74 -0.047 8.026 -13.914 1.00 0.00 O ATOM 0 H GLY A 74 0.665 3.950 -12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.692 5.828 -13.476 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.745 5.787 -14.950 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.948 6.694 -12.339 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.787 7.744 -11.775 1.00 0.00 C ATOM 1110 C ARG A 75 -1.855 7.628 -10.255 1.00 0.00 C ATOM 1111 O ARG A 75 -2.056 6.542 -9.712 1.00 0.00 O ATOM 1112 CB ARG A 75 -3.197 7.672 -12.366 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.871 6.324 -12.170 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.345 6.379 -12.541 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.979 5.066 -12.461 1.00 0.00 N ATOM 1116 CZ ARG A 75 -7.202 4.811 -12.912 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.919 5.775 -13.474 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -7.710 3.591 -12.803 1.00 0.00 N ATOM 0 H ARG A 75 -1.038 5.789 -11.877 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.342 8.706 -12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.813 8.447 -11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.147 7.892 -13.432 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.369 5.573 -12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.768 6.012 -11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.861 7.072 -11.876 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.450 6.771 -13.553 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.454 4.302 -12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.531 6.715 -13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.858 5.577 -13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.161 2.847 -12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.649 3.397 -13.150 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.685 8.756 -9.573 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.727 8.783 -8.116 1.00 0.00 C ATOM 1134 C LYS A 76 -3.141 8.518 -7.608 1.00 0.00 C ATOM 1135 O LYS A 76 -4.119 9.000 -8.181 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.232 10.135 -7.596 1.00 0.00 C ATOM 1137 CG LYS A 76 -1.005 10.163 -6.095 1.00 0.00 C ATOM 1138 CD LYS A 76 -2.259 10.588 -5.349 1.00 0.00 C ATOM 1139 CE LYS A 76 -2.315 12.097 -5.167 1.00 0.00 C ATOM 1140 NZ LYS A 76 -3.075 12.480 -3.946 1.00 0.00 N ATOM 0 H LYS A 76 -1.517 9.664 -10.007 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.072 7.995 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.300 10.390 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.958 10.904 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.695 9.175 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.191 10.850 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.140 10.254 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.286 10.102 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.301 12.493 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.780 12.551 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.723 13.262 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.623 11.663 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.411 12.783 -3.205 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.242 7.751 -6.528 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.536 7.422 -5.941 1.00 0.00 C ATOM 1156 C LEU A 77 -4.807 8.277 -4.707 1.00 0.00 C ATOM 1157 O LEU A 77 -3.985 8.343 -3.792 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.589 5.939 -5.570 1.00 0.00 C ATOM 1159 CG LEU A 77 -4.088 4.963 -6.635 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -4.031 3.549 -6.078 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.978 5.017 -7.869 1.00 0.00 C ATOM 0 H LEU A 77 -2.443 7.345 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.307 7.632 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.001 5.790 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.620 5.682 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.080 5.258 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.672 2.868 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.352 3.521 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.027 3.243 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.607 4.316 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.998 4.748 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.968 6.026 -8.281 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.965 8.928 -4.686 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.346 9.776 -3.563 1.00 0.00 C ATOM 1175 C LYS A 78 -6.982 8.950 -2.450 1.00 0.00 C ATOM 1176 O LYS A 78 -7.460 7.840 -2.683 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.320 10.863 -4.026 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.634 12.139 -4.482 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.506 13.359 -4.235 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.280 13.933 -2.844 1.00 0.00 C ATOM 1181 NZ LYS A 78 -5.931 14.549 -2.711 1.00 0.00 N ATOM 0 H LYS A 78 -6.656 8.884 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.444 10.247 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.925 10.473 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.003 11.099 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.688 12.254 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.399 12.067 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.289 14.121 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.555 13.087 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.044 14.681 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.393 13.143 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.938 15.234 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.228 13.807 -2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.683 15.037 -3.595 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.986 9.500 -1.240 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.566 8.815 -0.091 1.00 0.00 C ATOM 1197 C ASP A 79 -9.087 8.773 -0.194 1.00 0.00 C ATOM 1198 O ASP A 79 -9.738 7.933 0.428 1.00 0.00 O ATOM 1199 CB ASP A 79 -7.149 9.509 1.207 1.00 0.00 C ATOM 1200 CG ASP A 79 -5.686 9.289 1.537 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -5.091 8.337 0.990 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -5.136 10.069 2.342 1.00 0.00 O ATOM 0 H ASP A 79 -6.594 10.418 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.192 7.791 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.342 10.578 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.763 9.138 2.027 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.647 9.684 -0.981 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.092 9.751 -1.166 1.00 0.00 C ATOM 1209 C ASP A 80 -11.584 8.593 -2.028 1.00 0.00 C ATOM 1210 O ASP A 80 -12.772 8.270 -2.030 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.484 11.083 -1.808 1.00 0.00 C ATOM 1212 CG ASP A 80 -10.618 12.233 -1.332 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -10.333 12.297 -0.118 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -10.226 13.068 -2.174 1.00 0.00 O ATOM 0 H ASP A 80 -9.122 10.387 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.563 9.676 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.406 10.997 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.528 11.300 -1.580 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.664 7.973 -2.759 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.005 6.852 -3.626 1.00 0.00 C ATOM 1221 C GLN A 81 -10.832 5.525 -2.894 1.00 0.00 C ATOM 1222 O GLN A 81 -10.417 5.492 -1.735 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.136 6.870 -4.885 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.744 7.661 -6.032 1.00 0.00 C ATOM 1225 CD GLN A 81 -10.716 9.157 -5.788 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -9.686 9.808 -5.972 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.849 9.711 -5.373 1.00 0.00 N ATOM 0 H GLN A 81 -9.676 8.228 -2.768 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.051 6.954 -3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.162 7.293 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.964 5.845 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.202 7.436 -6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.775 7.341 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.678 9.133 -5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.890 10.714 -5.193 1.00 0.00 H new ATOM 1236 N THR A 82 -11.154 4.431 -3.578 1.00 0.00 N ATOM 1237 CA THR A 82 -11.036 3.102 -2.992 1.00 0.00 C ATOM 1238 C THR A 82 -10.515 2.096 -4.012 1.00 0.00 C ATOM 1239 O THR A 82 -10.168 2.460 -5.137 1.00 0.00 O ATOM 1240 CB THR A 82 -12.388 2.607 -2.445 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.388 2.682 -3.467 1.00 0.00 O ATOM 1242 CG2 THR A 82 -12.820 3.433 -1.243 1.00 0.00 C ATOM 0 H THR A 82 -11.498 4.440 -4.538 1.00 0.00 H new ATOM 0 HA THR A 82 -10.326 3.182 -2.168 1.00 0.00 H new ATOM 0 HB THR A 82 -12.270 1.570 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.244 2.364 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.777 3.065 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.071 3.349 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.922 4.478 -1.537 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.462 0.830 -3.614 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.984 -0.230 -4.495 1.00 0.00 C ATOM 1252 C LEU A 83 -10.884 -0.370 -5.718 1.00 0.00 C ATOM 1253 O LEU A 83 -10.411 -0.358 -6.854 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.920 -1.559 -3.739 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.757 -1.719 -2.760 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.471 -2.038 -3.506 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.591 -0.462 -1.919 1.00 0.00 C ATOM 0 H LEU A 83 -10.744 0.512 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.983 0.037 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.852 -1.686 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.868 -2.367 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.981 -2.551 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.654 -2.148 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.594 -2.967 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.241 -1.228 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.759 -0.594 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.390 0.388 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.505 -0.278 -1.355 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.184 -0.501 -5.477 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.152 -0.639 -6.559 1.00 0.00 C ATOM 1271 C ASP A 84 -13.250 0.649 -7.369 1.00 0.00 C ATOM 1272 O ASP A 84 -13.291 0.620 -8.599 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.526 -1.009 -5.998 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.531 -1.324 -7.088 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.844 -0.415 -7.886 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.005 -2.478 -7.144 1.00 0.00 O ATOM 0 H ASP A 84 -12.592 -0.515 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.810 -1.436 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.426 -1.872 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.900 -0.186 -5.390 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.287 1.780 -6.671 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.382 3.079 -7.326 1.00 0.00 C ATOM 1283 C PHE A 85 -12.571 3.098 -8.619 1.00 0.00 C ATOM 1284 O PHE A 85 -13.041 3.576 -9.652 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.891 4.184 -6.387 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.329 5.560 -6.800 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.853 6.131 -7.970 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.218 6.282 -6.020 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.254 7.397 -8.351 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.623 7.548 -6.397 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.141 8.106 -7.565 1.00 0.00 C ATOM 0 H PHE A 85 -13.253 1.823 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.429 3.258 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.256 3.982 -5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.802 4.156 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -12.161 5.580 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.599 5.850 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.874 7.832 -9.263 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.315 8.101 -5.779 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.457 9.095 -7.863 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.352 2.574 -8.553 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.475 2.533 -9.716 1.00 0.00 C ATOM 1303 C TYR A 86 -10.601 1.199 -10.447 1.00 0.00 C ATOM 1304 O TYR A 86 -10.516 1.139 -11.672 1.00 0.00 O ATOM 1305 CB TYR A 86 -9.022 2.760 -9.294 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.722 4.190 -8.905 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.647 5.191 -9.866 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.513 4.540 -7.577 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -8.372 6.499 -9.515 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.239 5.846 -7.216 1.00 0.00 C ATOM 1311 CZ TYR A 86 -8.169 6.821 -8.189 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.896 8.122 -7.835 1.00 0.00 O ATOM 0 H TYR A 86 -10.949 2.172 -7.706 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.778 3.330 -10.396 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.790 2.107 -8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.365 2.469 -10.113 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.806 4.942 -10.905 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.566 3.778 -6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.316 7.265 -10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.081 6.101 -6.179 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.308 8.318 -6.968 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.805 0.130 -9.682 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.940 -1.189 -10.273 1.00 0.00 C ATOM 1324 C GLY A 87 -9.701 -2.040 -10.078 1.00 0.00 C ATOM 1325 O GLY A 87 -9.349 -2.841 -10.945 1.00 0.00 O ATOM 0 H GLY A 87 -10.879 0.154 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.798 -1.696 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.143 -1.087 -11.339 1.00 0.00 H new ATOM 1329 N ILE A 88 -9.039 -1.867 -8.940 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.832 -2.626 -8.636 1.00 0.00 C ATOM 1331 C ILE A 88 -8.160 -4.086 -8.341 1.00 0.00 C ATOM 1332 O ILE A 88 -9.221 -4.395 -7.798 1.00 0.00 O ATOM 1333 CB ILE A 88 -7.078 -2.028 -7.433 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.645 -0.592 -7.738 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.873 -2.887 -7.083 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.455 0.257 -6.501 1.00 0.00 C ATOM 0 H ILE A 88 -9.318 -1.208 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.194 -2.570 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.749 -2.011 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.712 -0.614 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.392 -0.124 -8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.351 -2.451 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.205 -3.894 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.198 -2.933 -7.938 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.148 1.262 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.393 0.310 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.686 -0.188 -5.869 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.243 -4.978 -8.700 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.435 -6.405 -8.472 1.00 0.00 C ATOM 1350 C GLN A 89 -6.304 -6.978 -7.625 1.00 0.00 C ATOM 1351 O GLN A 89 -5.187 -6.461 -7.605 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.517 -7.149 -9.806 1.00 0.00 C ATOM 1353 CG GLN A 89 -8.803 -6.886 -10.572 1.00 0.00 C ATOM 1354 CD GLN A 89 -10.009 -6.757 -9.661 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -10.184 -7.542 -8.729 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -10.847 -5.762 -9.927 1.00 0.00 N ATOM 0 H GLN A 89 -6.360 -4.738 -9.150 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.372 -6.538 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.669 -6.860 -10.426 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.426 -8.219 -9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.694 -5.972 -11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.972 -7.697 -11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.662 -5.135 -10.710 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.676 -5.624 -9.348 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.598 -8.072 -6.907 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.618 -8.740 -6.044 1.00 0.00 C ATOM 1367 C PRO A 90 -4.523 -9.438 -6.843 1.00 0.00 C ATOM 1368 O PRO A 90 -4.648 -10.612 -7.190 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.459 -9.765 -5.280 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.626 -10.034 -6.166 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.909 -8.742 -6.882 1.00 0.00 C ATOM 0 HA PRO A 90 -5.093 -8.034 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.892 -10.675 -5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.778 -9.374 -4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.402 -10.832 -6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.491 -10.356 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.291 -8.915 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.655 -8.146 -6.356 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.450 -8.708 -7.131 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.348 -9.276 -7.887 1.00 0.00 C ATOM 1381 C GLY A 91 -1.497 -8.215 -8.556 1.00 0.00 C ATOM 1382 O GLY A 91 -0.333 -8.454 -8.876 1.00 0.00 O ATOM 0 H GLY A 91 -3.324 -7.734 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.724 -9.872 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.742 -9.953 -8.645 1.00 0.00 H new ATOM 1386 N SER A 92 -2.079 -7.039 -8.768 1.00 0.00 N ATOM 1387 CA SER A 92 -1.367 -5.938 -9.408 1.00 0.00 C ATOM 1388 C SER A 92 -0.188 -5.484 -8.554 1.00 0.00 C ATOM 1389 O SER A 92 0.068 -6.035 -7.483 1.00 0.00 O ATOM 1390 CB SER A 92 -2.316 -4.764 -9.654 1.00 0.00 C ATOM 1391 OG SER A 92 -2.984 -4.390 -8.462 1.00 0.00 O ATOM 0 H SER A 92 -3.041 -6.824 -8.506 1.00 0.00 H new ATOM 0 HA SER A 92 -0.984 -6.293 -10.365 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.755 -3.914 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.048 -5.037 -10.414 1.00 0.00 H new ATOM 0 HG SER A 92 -3.731 -5.003 -8.300 1.00 0.00 H new ATOM 1397 N THR A 93 0.530 -4.474 -9.036 1.00 0.00 N ATOM 1398 CA THR A 93 1.683 -3.945 -8.319 1.00 0.00 C ATOM 1399 C THR A 93 1.639 -2.423 -8.253 1.00 0.00 C ATOM 1400 O THR A 93 1.550 -1.749 -9.280 1.00 0.00 O ATOM 1401 CB THR A 93 3.004 -4.380 -8.982 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.941 -5.766 -9.337 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.181 -4.144 -8.047 1.00 0.00 C ATOM 0 H THR A 93 0.333 -4.006 -9.921 1.00 0.00 H new ATOM 0 HA THR A 93 1.640 -4.351 -7.308 1.00 0.00 H new ATOM 0 HB THR A 93 3.148 -3.781 -9.881 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.784 -6.034 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.103 -4.458 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.244 -3.084 -7.801 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.041 -4.720 -7.133 1.00 0.00 H new ATOM 1411 N VAL A 94 1.701 -1.886 -7.039 1.00 0.00 N ATOM 1412 CA VAL A 94 1.670 -0.442 -6.838 1.00 0.00 C ATOM 1413 C VAL A 94 3.058 0.098 -6.513 1.00 0.00 C ATOM 1414 O VAL A 94 3.921 -0.632 -6.027 1.00 0.00 O ATOM 1415 CB VAL A 94 0.701 -0.053 -5.706 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.724 -0.447 -6.063 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.128 -0.698 -4.396 1.00 0.00 C ATOM 0 H VAL A 94 1.773 -2.430 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 94 1.321 -0.000 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 94 0.732 1.029 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.394 -0.164 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.025 0.065 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.776 -1.525 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.433 -0.413 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.126 -1.782 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.131 -0.361 -4.135 1.00 0.00 H new ATOM 1427 N HIS A 95 3.265 1.383 -6.785 1.00 0.00 N ATOM 1428 CA HIS A 95 4.549 2.022 -6.520 1.00 0.00 C ATOM 1429 C HIS A 95 4.384 3.195 -5.558 1.00 0.00 C ATOM 1430 O HIS A 95 3.474 4.010 -5.708 1.00 0.00 O ATOM 1431 CB HIS A 95 5.182 2.503 -7.826 1.00 0.00 C ATOM 1432 CG HIS A 95 5.689 1.391 -8.692 1.00 0.00 C ATOM 1433 ND1 HIS A 95 5.111 0.743 -9.729 1.00 0.00 N flip ATOM 1434 CD2 HIS A 95 6.934 0.821 -8.531 1.00 0.00 C flip ATOM 1435 CE1 HIS A 95 6.008 -0.197 -10.174 1.00 0.00 C flip ATOM 1436 NE2 HIS A 95 7.101 -0.129 -9.434 1.00 0.00 N flip ATOM 0 H HIS A 95 2.561 2.001 -7.188 1.00 0.00 H new ATOM 0 HA HIS A 95 5.205 1.285 -6.057 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.446 3.081 -8.385 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.007 3.176 -7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.659 1.106 -7.784 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.847 -0.880 -10.995 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.932 -0.711 -9.542 1.00 0.00 H new ATOM 1445 N VAL A 96 5.270 3.273 -4.570 1.00 0.00 N ATOM 1446 CA VAL A 96 5.222 4.346 -3.584 1.00 0.00 C ATOM 1447 C VAL A 96 6.217 5.450 -3.925 1.00 0.00 C ATOM 1448 O VAL A 96 7.374 5.180 -4.247 1.00 0.00 O ATOM 1449 CB VAL A 96 5.521 3.820 -2.168 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.804 4.974 -1.218 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.364 2.972 -1.660 1.00 0.00 C ATOM 0 H VAL A 96 6.029 2.606 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 96 4.211 4.752 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 96 6.410 3.192 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.013 4.583 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.667 5.536 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.935 5.631 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.592 2.608 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.457 3.575 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.213 2.124 -2.328 1.00 0.00 H new ATOM 1461 N LEU A 97 5.759 6.695 -3.851 1.00 0.00 N ATOM 1462 CA LEU A 97 6.608 7.842 -4.151 1.00 0.00 C ATOM 1463 C LEU A 97 6.780 8.729 -2.922 1.00 0.00 C ATOM 1464 O LEU A 97 5.811 9.287 -2.407 1.00 0.00 O ATOM 1465 CB LEU A 97 6.014 8.655 -5.302 1.00 0.00 C ATOM 1466 CG LEU A 97 7.012 9.428 -6.164 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.586 10.605 -5.390 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.127 8.510 -6.643 1.00 0.00 C ATOM 0 H LEU A 97 4.804 6.936 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 97 7.588 7.469 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.455 7.978 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.297 9.364 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 97 6.485 9.814 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.294 11.144 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.779 11.276 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.097 10.240 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.828 9.078 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.651 8.094 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.702 7.700 -7.235 1.00 0.00 H new ATOM 1480 N ARG A 98 8.019 8.856 -2.458 1.00 0.00 N ATOM 1481 CA ARG A 98 8.317 9.676 -1.290 1.00 0.00 C ATOM 1482 C ARG A 98 8.214 11.161 -1.628 1.00 0.00 C ATOM 1483 O ARG A 98 8.864 11.644 -2.555 1.00 0.00 O ATOM 1484 CB ARG A 98 9.717 9.358 -0.762 1.00 0.00 C ATOM 1485 CG ARG A 98 9.773 8.107 0.099 1.00 0.00 C ATOM 1486 CD ARG A 98 10.907 8.177 1.110 1.00 0.00 C ATOM 1487 NE ARG A 98 12.204 7.899 0.499 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.361 8.288 1.022 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.383 8.967 2.160 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.500 7.997 0.406 1.00 0.00 N ATOM 0 H ARG A 98 8.832 8.402 -2.873 1.00 0.00 H new ATOM 0 HA ARG A 98 7.583 9.445 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.396 9.239 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.078 10.206 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.825 7.981 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.905 7.232 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.926 9.167 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.723 7.461 1.911 1.00 0.00 H new ATOM 0 HE ARG A 98 12.222 7.378 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.510 9.192 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.273 9.264 2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.487 7.474 -0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.388 8.296 0.808 1.00 0.00 H new ATOM 1504 N LYS A 99 7.393 11.879 -0.870 1.00 0.00 N ATOM 1505 CA LYS A 99 7.205 13.308 -1.087 1.00 0.00 C ATOM 1506 C LYS A 99 8.527 14.058 -0.954 1.00 0.00 C ATOM 1507 O LYS A 99 9.431 13.619 -0.244 1.00 0.00 O ATOM 1508 CB LYS A 99 6.188 13.867 -0.089 1.00 0.00 C ATOM 1509 CG LYS A 99 4.807 13.246 -0.215 1.00 0.00 C ATOM 1510 CD LYS A 99 3.978 13.468 1.039 1.00 0.00 C ATOM 1511 CE LYS A 99 2.531 13.051 0.831 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.715 14.151 0.247 1.00 0.00 N ATOM 0 H LYS A 99 6.847 11.494 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 99 6.828 13.449 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.559 13.706 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.107 14.945 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.291 13.676 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.904 12.177 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.406 12.900 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.018 14.520 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.494 12.183 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.100 12.746 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.735 13.827 0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.729 14.971 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.111 14.425 -0.675 1.00 0.00 H new ATOM 1526 N SER A 100 8.631 15.191 -1.642 1.00 0.00 N ATOM 1527 CA SER A 100 9.843 16.000 -1.603 1.00 0.00 C ATOM 1528 C SER A 100 9.813 16.967 -0.423 1.00 0.00 C ATOM 1529 O SER A 100 8.933 17.823 -0.331 1.00 0.00 O ATOM 1530 CB SER A 100 10.005 16.777 -2.910 1.00 0.00 C ATOM 1531 OG SER A 100 11.221 17.505 -2.923 1.00 0.00 O ATOM 0 H SER A 100 7.890 15.569 -2.233 1.00 0.00 H new ATOM 0 HA SER A 100 10.694 15.330 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.982 16.086 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 100 9.166 17.462 -3.036 1.00 0.00 H new ATOM 0 HG SER A 100 11.302 17.992 -3.770 1.00 0.00 H new ATOM 1537 N TRP A 101 10.780 16.824 0.476 1.00 0.00 N ATOM 1538 CA TRP A 101 10.865 17.684 1.651 1.00 0.00 C ATOM 1539 C TRP A 101 12.268 18.261 1.803 1.00 0.00 C ATOM 1540 O TRP A 101 13.251 17.641 1.397 1.00 0.00 O ATOM 1541 CB TRP A 101 10.481 16.904 2.909 1.00 0.00 C ATOM 1542 CG TRP A 101 10.949 17.553 4.176 1.00 0.00 C ATOM 1543 CD1 TRP A 101 11.780 17.013 5.115 1.00 0.00 C ATOM 1544 CD2 TRP A 101 10.611 18.864 4.643 1.00 0.00 C ATOM 1545 NE1 TRP A 101 11.979 17.909 6.138 1.00 0.00 N ATOM 1546 CE2 TRP A 101 11.274 19.052 5.872 1.00 0.00 C ATOM 1547 CE3 TRP A 101 9.815 19.897 4.142 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 11.162 20.231 6.604 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 9.705 21.066 4.870 1.00 0.00 C ATOM 1550 CH2 TRP A 101 10.376 21.226 6.090 1.00 0.00 C ATOM 0 H TRP A 101 11.516 16.121 0.414 1.00 0.00 H new ATOM 0 HA TRP A 101 10.166 18.509 1.517 1.00 0.00 H new ATOM 0 HB2 TRP A 101 9.397 16.795 2.944 1.00 0.00 H new ATOM 0 HB3 TRP A 101 10.900 15.900 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 101 12.217 16.027 5.062 1.00 0.00 H new ATOM 0 HE1 TRP A 101 12.558 17.748 6.962 1.00 0.00 H new ATOM 0 HE3 TRP A 101 9.295 19.784 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 11.678 20.356 7.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.091 21.871 4.492 1.00 0.00 H new ATOM 0 HH2 TRP A 101 10.271 22.153 6.635 1.00 0.00 H new ATOM 1561 N SER A 102 12.354 19.450 2.390 1.00 0.00 N ATOM 1562 CA SER A 102 13.638 20.112 2.592 1.00 0.00 C ATOM 1563 C SER A 102 14.654 19.151 3.202 1.00 0.00 C ATOM 1564 O SER A 102 15.711 18.898 2.625 1.00 0.00 O ATOM 1565 CB SER A 102 13.469 21.335 3.495 1.00 0.00 C ATOM 1566 OG SER A 102 12.728 22.352 2.843 1.00 0.00 O ATOM 0 H SER A 102 11.550 19.975 2.734 1.00 0.00 H new ATOM 0 HA SER A 102 14.009 20.436 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.962 21.044 4.415 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.449 21.720 3.779 1.00 0.00 H new ATOM 0 HG SER A 102 12.632 23.122 3.442 1.00 0.00 H new ATOM 1572 N GLY A 103 14.325 18.618 4.375 1.00 0.00 N ATOM 1573 CA GLY A 103 15.218 17.691 5.046 1.00 0.00 C ATOM 1574 C GLY A 103 14.994 17.653 6.545 1.00 0.00 C ATOM 1575 O GLY A 103 14.678 16.611 7.120 1.00 0.00 O ATOM 0 H GLY A 103 13.456 18.812 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 103 15.075 16.692 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.251 17.975 4.843 1.00 0.00 H new ATOM 1579 N PRO A 104 15.162 18.810 7.202 1.00 0.00 N ATOM 1580 CA PRO A 104 14.983 18.930 8.652 1.00 0.00 C ATOM 1581 C PRO A 104 13.523 18.792 9.069 1.00 0.00 C ATOM 1582 O PRO A 104 12.840 19.786 9.316 1.00 0.00 O ATOM 1583 CB PRO A 104 15.494 20.341 8.957 1.00 0.00 C ATOM 1584 CG PRO A 104 15.320 21.091 7.681 1.00 0.00 C ATOM 1585 CD PRO A 104 15.538 20.091 6.580 1.00 0.00 C ATOM 0 HA PRO A 104 15.509 18.144 9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.928 20.801 9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.539 20.325 9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 104 14.324 21.529 7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.034 21.911 7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 104 14.920 20.311 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.574 20.085 6.242 1.00 0.00 H new ATOM 1593 N SER A 105 13.049 17.552 9.146 1.00 0.00 N ATOM 1594 CA SER A 105 11.668 17.283 9.530 1.00 0.00 C ATOM 1595 C SER A 105 11.449 17.580 11.010 1.00 0.00 C ATOM 1596 O SER A 105 10.565 18.355 11.375 1.00 0.00 O ATOM 1597 CB SER A 105 11.307 15.827 9.231 1.00 0.00 C ATOM 1598 OG SER A 105 10.974 15.654 7.865 1.00 0.00 O ATOM 0 H SER A 105 13.601 16.718 8.947 1.00 0.00 H new ATOM 0 HA SER A 105 11.020 17.937 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.146 15.181 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.467 15.522 9.855 1.00 0.00 H new ATOM 0 HG SER A 105 11.305 16.418 7.348 1.00 0.00 H new ATOM 1604 N SER A 106 12.261 16.957 11.859 1.00 0.00 N ATOM 1605 CA SER A 106 12.154 17.151 13.300 1.00 0.00 C ATOM 1606 C SER A 106 10.753 16.803 13.793 1.00 0.00 C ATOM 1607 O SER A 106 10.183 17.506 14.626 1.00 0.00 O ATOM 1608 CB SER A 106 12.492 18.597 13.669 1.00 0.00 C ATOM 1609 OG SER A 106 13.005 18.681 14.987 1.00 0.00 O ATOM 0 H SER A 106 13.000 16.314 11.574 1.00 0.00 H new ATOM 0 HA SER A 106 12.867 16.484 13.784 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.223 18.994 12.965 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.599 19.216 13.583 1.00 0.00 H new ATOM 0 HG SER A 106 13.214 19.615 15.198 1.00 0.00 H new ATOM 1615 N GLY A 107 10.202 15.711 13.270 1.00 0.00 N ATOM 1616 CA GLY A 107 8.872 15.288 13.667 1.00 0.00 C ATOM 1617 C GLY A 107 8.349 14.148 12.817 1.00 0.00 C ATOM 1618 O GLY A 107 8.494 14.158 11.595 1.00 0.00 O ATOM 0 H GLY A 107 10.653 15.112 12.579 1.00 0.00 H new ATOM 0 HA2 GLY A 107 8.889 14.980 14.712 1.00 0.00 H new ATOM 0 HA3 GLY A 107 8.188 16.134 13.595 1.00 0.00 H new TER 1622 GLY A 107