USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HD1:sc= 0 X(o=0,f=0.35) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 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 53:sc= 0.789 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 31:sc= 0.257 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00807 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -62:sc= 0.67 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 14:sc= 0.666 USER MOD Single : A 36 ASN : amide:sc= -1.58 K(o=-1.6,f=-8.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.7 K(o=-3.7,f=-7.7!) USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 0.708 (180deg=-1.28!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.7) USER MOD Single : A 47 SER OG : rot -14:sc= 0.858 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.58! K(o=-3.6!,f=-1.8) USER MOD Single : A 52 CYS SG : rot 53:sc= -0.46 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -52:sc= 0.675 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0534 K(o=-0.053,f=-1.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.122 X(o=-0.12,f=-7.9e-05) USER MOD Single : A 81 SER OG : rot 70:sc= 0.737! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-0.81) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.65) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.149 0.406 21.439 1.00 0.00 N ATOM 2 CA GLY A 1 7.052 1.242 21.895 1.00 0.00 C ATOM 3 C GLY A 1 6.814 1.063 23.396 1.00 0.00 C ATOM 4 O GLY A 1 7.736 1.212 24.196 1.00 0.00 O ATOM 0 H1 GLY A 1 8.291 0.545 20.418 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.018 0.666 21.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.925 -0.593 21.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.273 2.288 21.680 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.145 0.989 21.346 1.00 0.00 H new ATOM 8 N SER A 2 5.572 0.747 23.732 1.00 0.00 N ATOM 9 CA SER A 2 5.201 0.547 25.123 1.00 0.00 C ATOM 10 C SER A 2 4.075 -0.484 25.220 1.00 0.00 C ATOM 11 O SER A 2 4.225 -1.513 25.877 1.00 0.00 O ATOM 12 CB SER A 2 4.773 1.863 25.774 1.00 0.00 C ATOM 13 OG SER A 2 5.646 2.243 26.834 1.00 0.00 O ATOM 0 H SER A 2 4.810 0.625 23.065 1.00 0.00 H new ATOM 0 HA SER A 2 6.074 0.175 25.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.753 2.651 25.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.758 1.764 26.158 1.00 0.00 H new ATOM 0 HG SER A 2 5.340 3.089 27.223 1.00 0.00 H new ATOM 19 N SER A 3 2.971 -0.172 24.557 1.00 0.00 N ATOM 20 CA SER A 3 1.820 -1.059 24.561 1.00 0.00 C ATOM 21 C SER A 3 0.718 -0.490 23.665 1.00 0.00 C ATOM 22 O SER A 3 0.293 -1.139 22.710 1.00 0.00 O ATOM 23 CB SER A 3 1.292 -1.270 25.982 1.00 0.00 C ATOM 24 OG SER A 3 1.752 -2.495 26.545 1.00 0.00 O ATOM 0 H SER A 3 2.849 0.683 24.014 1.00 0.00 H new ATOM 0 HA SER A 3 2.133 -2.027 24.171 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.608 -0.439 26.613 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.202 -1.264 25.969 1.00 0.00 H new ATOM 0 HG SER A 3 2.728 -2.542 26.473 1.00 0.00 H new ATOM 30 N GLY A 4 0.287 0.716 24.004 1.00 0.00 N ATOM 31 CA GLY A 4 -0.757 1.379 23.241 1.00 0.00 C ATOM 32 C GLY A 4 -2.053 0.567 23.264 1.00 0.00 C ATOM 33 O GLY A 4 -2.783 0.583 24.253 1.00 0.00 O ATOM 0 H GLY A 4 0.642 1.251 24.797 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.938 2.372 23.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.428 1.516 22.211 1.00 0.00 H new ATOM 37 N SER A 5 -2.299 -0.126 22.161 1.00 0.00 N ATOM 38 CA SER A 5 -3.494 -0.943 22.041 1.00 0.00 C ATOM 39 C SER A 5 -4.741 -0.081 22.248 1.00 0.00 C ATOM 40 O SER A 5 -5.292 -0.033 23.346 1.00 0.00 O ATOM 41 CB SER A 5 -3.474 -2.097 23.046 1.00 0.00 C ATOM 42 OG SER A 5 -2.777 -3.233 22.541 1.00 0.00 O ATOM 0 H SER A 5 -1.690 -0.138 21.343 1.00 0.00 H new ATOM 0 HA SER A 5 -3.518 -1.369 21.038 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.003 -1.764 23.971 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.497 -2.380 23.293 1.00 0.00 H new ATOM 0 HG SER A 5 -2.785 -3.947 23.212 1.00 0.00 H new ATOM 48 N SER A 6 -5.149 0.578 21.173 1.00 0.00 N ATOM 49 CA SER A 6 -6.321 1.436 21.223 1.00 0.00 C ATOM 50 C SER A 6 -6.960 1.530 19.836 1.00 0.00 C ATOM 51 O SER A 6 -6.290 1.322 18.825 1.00 0.00 O ATOM 52 CB SER A 6 -5.961 2.832 21.737 1.00 0.00 C ATOM 53 OG SER A 6 -5.996 2.902 23.160 1.00 0.00 O ATOM 0 H SER A 6 -4.690 0.535 20.263 1.00 0.00 H new ATOM 0 HA SER A 6 -7.037 0.996 21.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.965 3.102 21.385 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.655 3.562 21.321 1.00 0.00 H new ATOM 0 HG SER A 6 -5.759 2.029 23.536 1.00 0.00 H new ATOM 59 N GLY A 7 -8.247 1.845 19.832 1.00 0.00 N ATOM 60 CA GLY A 7 -8.983 1.969 18.586 1.00 0.00 C ATOM 61 C GLY A 7 -10.465 2.246 18.849 1.00 0.00 C ATOM 62 O GLY A 7 -11.226 1.329 19.154 1.00 0.00 O ATOM 0 H GLY A 7 -8.799 2.018 20.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.559 2.776 17.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.878 1.053 18.005 1.00 0.00 H new ATOM 66 N VAL A 8 -10.829 3.513 18.722 1.00 0.00 N ATOM 67 CA VAL A 8 -12.205 3.922 18.942 1.00 0.00 C ATOM 68 C VAL A 8 -12.696 4.719 17.732 1.00 0.00 C ATOM 69 O VAL A 8 -11.948 5.510 17.160 1.00 0.00 O ATOM 70 CB VAL A 8 -12.316 4.701 20.255 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.922 3.825 21.446 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.472 5.976 20.210 1.00 0.00 C ATOM 0 H VAL A 8 -10.194 4.270 18.469 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.851 3.050 19.041 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.358 4.994 20.384 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.009 4.402 22.367 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.583 2.960 21.496 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.892 3.488 21.325 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.569 6.510 21.155 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.426 5.715 20.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.818 6.613 19.396 1.00 0.00 H new ATOM 82 N SER A 9 -13.951 4.483 17.378 1.00 0.00 N ATOM 83 CA SER A 9 -14.551 5.169 16.246 1.00 0.00 C ATOM 84 C SER A 9 -14.678 6.664 16.547 1.00 0.00 C ATOM 85 O SER A 9 -14.908 7.052 17.691 1.00 0.00 O ATOM 86 CB SER A 9 -15.920 4.577 15.906 1.00 0.00 C ATOM 87 OG SER A 9 -16.897 4.889 16.896 1.00 0.00 O ATOM 0 H SER A 9 -14.569 3.826 17.855 1.00 0.00 H new ATOM 0 HA SER A 9 -13.902 5.034 15.381 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.249 4.957 14.939 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.833 3.495 15.810 1.00 0.00 H new ATOM 0 HG SER A 9 -17.758 4.495 16.642 1.00 0.00 H new ATOM 93 N GLY A 10 -14.523 7.461 15.501 1.00 0.00 N ATOM 94 CA GLY A 10 -14.617 8.904 15.639 1.00 0.00 C ATOM 95 C GLY A 10 -13.721 9.407 16.772 1.00 0.00 C ATOM 96 O GLY A 10 -14.185 9.603 17.895 1.00 0.00 O ATOM 0 H GLY A 10 -14.333 7.135 14.553 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.328 9.382 14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.651 9.187 15.836 1.00 0.00 H new ATOM 100 N ARG A 11 -12.453 9.600 16.440 1.00 0.00 N ATOM 101 CA ARG A 11 -11.487 10.076 17.416 1.00 0.00 C ATOM 102 C ARG A 11 -10.126 10.292 16.753 1.00 0.00 C ATOM 103 O ARG A 11 -9.745 9.548 15.850 1.00 0.00 O ATOM 104 CB ARG A 11 -11.334 9.081 18.568 1.00 0.00 C ATOM 105 CG ARG A 11 -10.596 9.718 19.747 1.00 0.00 C ATOM 106 CD ARG A 11 -9.336 8.924 20.099 1.00 0.00 C ATOM 107 NE ARG A 11 -8.539 9.659 21.107 1.00 0.00 N ATOM 108 CZ ARG A 11 -8.889 9.786 22.394 1.00 0.00 C ATOM 109 NH1 ARG A 11 -10.023 9.227 22.838 1.00 0.00 N ATOM 110 NH2 ARG A 11 -8.105 10.471 23.238 1.00 0.00 N ATOM 0 H ARG A 11 -12.072 9.435 15.508 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.855 11.022 17.814 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.317 8.739 18.891 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.788 8.202 18.224 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.326 10.745 19.500 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.256 9.762 20.613 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.611 7.943 20.486 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.739 8.757 19.202 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.669 10.096 20.803 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.620 8.705 22.196 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.290 9.324 23.818 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.241 10.896 22.901 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.372 10.567 24.218 1.00 0.00 H new ATOM 124 N GLU A 12 -9.428 11.314 17.227 1.00 0.00 N ATOM 125 CA GLU A 12 -8.117 11.638 16.692 1.00 0.00 C ATOM 126 C GLU A 12 -7.324 10.358 16.419 1.00 0.00 C ATOM 127 O GLU A 12 -7.530 9.343 17.082 1.00 0.00 O ATOM 128 CB GLU A 12 -7.352 12.565 17.639 1.00 0.00 C ATOM 129 CG GLU A 12 -6.916 11.820 18.902 1.00 0.00 C ATOM 130 CD GLU A 12 -7.412 12.537 20.160 1.00 0.00 C ATOM 131 OE1 GLU A 12 -8.553 12.234 20.573 1.00 0.00 O ATOM 132 OE2 GLU A 12 -6.640 13.371 20.679 1.00 0.00 O ATOM 0 H GLU A 12 -9.746 11.929 17.976 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.252 12.167 15.749 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.477 12.969 17.130 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.981 13.412 17.911 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.306 10.802 18.881 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.829 11.744 18.927 1.00 0.00 H new ATOM 139 N PRO A 13 -6.412 10.450 15.414 1.00 0.00 N ATOM 140 CA PRO A 13 -5.588 9.312 15.045 1.00 0.00 C ATOM 141 C PRO A 13 -4.481 9.079 16.076 1.00 0.00 C ATOM 142 O PRO A 13 -3.664 9.964 16.325 1.00 0.00 O ATOM 143 CB PRO A 13 -5.051 9.647 13.663 1.00 0.00 C ATOM 144 CG PRO A 13 -5.214 11.150 13.505 1.00 0.00 C ATOM 145 CD PRO A 13 -6.142 11.636 14.607 1.00 0.00 C ATOM 0 HA PRO A 13 -6.147 8.377 15.025 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.005 9.356 13.569 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.601 9.111 12.890 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.247 11.648 13.573 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.627 11.388 12.525 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.674 12.421 15.201 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.061 12.053 14.195 1.00 0.00 H new ATOM 153 N SER A 14 -4.490 7.884 16.646 1.00 0.00 N ATOM 154 CA SER A 14 -3.498 7.523 17.644 1.00 0.00 C ATOM 155 C SER A 14 -2.271 6.910 16.965 1.00 0.00 C ATOM 156 O SER A 14 -1.154 7.396 17.136 1.00 0.00 O ATOM 157 CB SER A 14 -4.078 6.549 18.671 1.00 0.00 C ATOM 158 OG SER A 14 -3.872 6.997 20.008 1.00 0.00 O ATOM 0 H SER A 14 -5.169 7.152 16.436 1.00 0.00 H new ATOM 0 HA SER A 14 -3.199 8.429 18.171 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.146 6.426 18.491 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.618 5.569 18.542 1.00 0.00 H new ATOM 0 HG SER A 14 -4.258 6.349 20.633 1.00 0.00 H new ATOM 164 N SER A 15 -2.521 5.852 16.208 1.00 0.00 N ATOM 165 CA SER A 15 -1.451 5.168 15.502 1.00 0.00 C ATOM 166 C SER A 15 -0.486 6.189 14.897 1.00 0.00 C ATOM 167 O SER A 15 -0.911 7.129 14.228 1.00 0.00 O ATOM 168 CB SER A 15 -2.009 4.253 14.409 1.00 0.00 C ATOM 169 OG SER A 15 -3.407 4.446 14.214 1.00 0.00 O ATOM 0 H SER A 15 -3.449 5.452 16.068 1.00 0.00 H new ATOM 0 HA SER A 15 -0.912 4.548 16.218 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.483 4.443 13.474 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.820 3.213 14.675 1.00 0.00 H new ATOM 0 HG SER A 15 -3.725 3.845 13.508 1.00 0.00 H new ATOM 175 N ARG A 16 0.795 5.970 15.155 1.00 0.00 N ATOM 176 CA ARG A 16 1.824 6.860 14.645 1.00 0.00 C ATOM 177 C ARG A 16 1.997 6.662 13.138 1.00 0.00 C ATOM 178 O ARG A 16 2.403 5.591 12.691 1.00 0.00 O ATOM 179 CB ARG A 16 3.163 6.611 15.342 1.00 0.00 C ATOM 180 CG ARG A 16 3.437 7.679 16.402 1.00 0.00 C ATOM 181 CD ARG A 16 4.754 8.406 16.121 1.00 0.00 C ATOM 182 NE ARG A 16 4.567 9.867 16.269 1.00 0.00 N ATOM 183 CZ ARG A 16 5.573 10.744 16.388 1.00 0.00 C ATOM 184 NH1 ARG A 16 6.842 10.314 16.379 1.00 0.00 N ATOM 185 NH2 ARG A 16 5.310 12.052 16.517 1.00 0.00 N ATOM 0 H ARG A 16 1.144 5.189 15.711 1.00 0.00 H new ATOM 0 HA ARG A 16 1.507 7.883 14.847 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.157 5.625 15.807 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.966 6.611 14.605 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.618 8.398 16.420 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.476 7.216 17.388 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.525 8.058 16.809 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.098 8.175 15.113 1.00 0.00 H new ATOM 0 HE ARG A 16 3.613 10.228 16.281 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.043 9.319 16.282 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.607 10.982 16.470 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.344 12.380 16.525 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.076 12.720 16.608 1.00 0.00 H new ATOM 199 N ILE A 17 1.680 7.713 12.395 1.00 0.00 N ATOM 200 CA ILE A 17 1.795 7.668 10.947 1.00 0.00 C ATOM 201 C ILE A 17 3.264 7.828 10.552 1.00 0.00 C ATOM 202 O ILE A 17 3.929 8.766 10.987 1.00 0.00 O ATOM 203 CB ILE A 17 0.869 8.702 10.304 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.531 8.643 10.919 1.00 0.00 C ATOM 205 CG2 ILE A 17 0.834 8.537 8.783 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.266 7.373 10.487 1.00 0.00 C ATOM 0 H ILE A 17 1.344 8.600 12.769 1.00 0.00 H new ATOM 0 HA ILE A 17 1.466 6.700 10.568 1.00 0.00 H new ATOM 0 HB ILE A 17 1.270 9.694 10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.456 8.672 12.006 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.103 9.520 10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.168 9.284 8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.838 8.669 8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.471 7.540 8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.258 7.356 10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.360 7.359 9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.704 6.498 10.814 1.00 0.00 H new ATOM 218 N ILE A 18 3.727 6.897 9.730 1.00 0.00 N ATOM 219 CA ILE A 18 5.105 6.923 9.271 1.00 0.00 C ATOM 220 C ILE A 18 5.143 7.376 7.810 1.00 0.00 C ATOM 221 O ILE A 18 4.117 7.383 7.132 1.00 0.00 O ATOM 222 CB ILE A 18 5.776 5.569 9.513 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.899 4.424 9.003 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.145 5.396 10.988 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.697 3.122 8.910 1.00 0.00 C ATOM 0 H ILE A 18 3.172 6.120 9.370 1.00 0.00 H new ATOM 0 HA ILE A 18 5.684 7.647 9.845 1.00 0.00 H new ATOM 0 HB ILE A 18 6.705 5.541 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.049 4.287 9.671 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.496 4.679 8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.620 4.426 11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.835 6.186 11.286 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.243 5.453 11.598 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.050 2.324 8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.532 3.255 8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.078 2.858 9.896 1.00 0.00 H new ATOM 237 N ARG A 19 6.337 7.742 7.368 1.00 0.00 N ATOM 238 CA ARG A 19 6.522 8.195 6.000 1.00 0.00 C ATOM 239 C ARG A 19 7.246 7.125 5.180 1.00 0.00 C ATOM 240 O ARG A 19 8.461 6.969 5.292 1.00 0.00 O ATOM 241 CB ARG A 19 7.328 9.495 5.955 1.00 0.00 C ATOM 242 CG ARG A 19 7.807 9.794 4.532 1.00 0.00 C ATOM 243 CD ARG A 19 8.503 11.155 4.463 1.00 0.00 C ATOM 244 NE ARG A 19 9.972 10.973 4.480 1.00 0.00 N ATOM 245 CZ ARG A 19 10.684 10.508 3.445 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.066 10.174 2.304 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.013 10.376 3.551 1.00 0.00 N ATOM 0 H ARG A 19 7.186 7.734 7.933 1.00 0.00 H new ATOM 0 HA ARG A 19 5.535 8.378 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.715 10.320 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.186 9.419 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.493 9.013 4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.958 9.780 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.204 11.680 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.195 11.774 5.306 1.00 0.00 H new ATOM 0 HE ARG A 19 10.474 11.217 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.054 10.274 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.607 9.820 1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.483 10.630 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.555 10.022 2.763 1.00 0.00 H new ATOM 261 N VAL A 20 6.469 6.417 4.374 1.00 0.00 N ATOM 262 CA VAL A 20 7.021 5.366 3.535 1.00 0.00 C ATOM 263 C VAL A 20 7.136 5.875 2.097 1.00 0.00 C ATOM 264 O VAL A 20 6.159 6.357 1.525 1.00 0.00 O ATOM 265 CB VAL A 20 6.171 4.100 3.655 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.685 3.004 2.720 1.00 0.00 C ATOM 267 CG2 VAL A 20 6.123 3.608 5.103 1.00 0.00 C ATOM 0 H VAL A 20 5.462 6.550 4.284 1.00 0.00 H new ATOM 0 HA VAL A 20 8.025 5.100 3.867 1.00 0.00 H new ATOM 0 HB VAL A 20 5.154 4.349 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.063 2.115 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.644 3.356 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.715 2.759 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.512 2.707 5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.134 3.384 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.689 4.382 5.736 1.00 0.00 H new ATOM 277 N SER A 21 8.338 5.752 1.553 1.00 0.00 N ATOM 278 CA SER A 21 8.593 6.193 0.193 1.00 0.00 C ATOM 279 C SER A 21 8.085 5.147 -0.801 1.00 0.00 C ATOM 280 O SER A 21 8.660 4.066 -0.918 1.00 0.00 O ATOM 281 CB SER A 21 10.083 6.457 -0.030 1.00 0.00 C ATOM 282 OG SER A 21 10.518 7.648 0.620 1.00 0.00 O ATOM 0 H SER A 21 9.146 5.353 2.030 1.00 0.00 H new ATOM 0 HA SER A 21 8.057 7.128 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.661 5.610 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.281 6.534 -1.099 1.00 0.00 H new ATOM 0 HG SER A 21 11.475 7.780 0.455 1.00 0.00 H new ATOM 288 N VAL A 22 7.012 5.504 -1.491 1.00 0.00 N ATOM 289 CA VAL A 22 6.420 4.609 -2.471 1.00 0.00 C ATOM 290 C VAL A 22 7.103 4.818 -3.824 1.00 0.00 C ATOM 291 O VAL A 22 7.075 5.918 -4.375 1.00 0.00 O ATOM 292 CB VAL A 22 4.906 4.822 -2.526 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.303 4.153 -3.763 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.234 4.318 -1.247 1.00 0.00 C ATOM 0 H VAL A 22 6.537 6.401 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 22 6.578 3.569 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 22 4.721 5.894 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.226 4.319 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.749 4.580 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.504 3.082 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.158 4.481 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.433 3.253 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.632 4.860 -0.389 1.00 0.00 H new ATOM 304 N LYS A 23 7.700 3.745 -4.322 1.00 0.00 N ATOM 305 CA LYS A 23 8.389 3.797 -5.600 1.00 0.00 C ATOM 306 C LYS A 23 7.470 3.247 -6.692 1.00 0.00 C ATOM 307 O LYS A 23 7.083 2.079 -6.653 1.00 0.00 O ATOM 308 CB LYS A 23 9.737 3.079 -5.511 1.00 0.00 C ATOM 309 CG LYS A 23 10.820 3.851 -6.269 1.00 0.00 C ATOM 310 CD LYS A 23 11.483 4.893 -5.366 1.00 0.00 C ATOM 311 CE LYS A 23 12.960 4.563 -5.142 1.00 0.00 C ATOM 312 NZ LYS A 23 13.798 5.204 -6.181 1.00 0.00 N ATOM 0 H LYS A 23 7.721 2.834 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 23 8.620 4.828 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.027 2.970 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.646 2.074 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.573 3.157 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.381 4.343 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.392 5.881 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.966 4.931 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.269 4.905 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.105 3.483 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.797 4.970 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.513 4.857 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.673 6.236 -6.140 1.00 0.00 H new ATOM 326 N THR A 24 7.147 4.113 -7.641 1.00 0.00 N ATOM 327 CA THR A 24 6.280 3.728 -8.742 1.00 0.00 C ATOM 328 C THR A 24 7.066 3.702 -10.055 1.00 0.00 C ATOM 329 O THR A 24 8.107 4.347 -10.172 1.00 0.00 O ATOM 330 CB THR A 24 5.090 4.688 -8.765 1.00 0.00 C ATOM 331 OG1 THR A 24 5.657 5.935 -9.158 1.00 0.00 O ATOM 332 CG2 THR A 24 4.528 4.958 -7.368 1.00 0.00 C ATOM 0 H THR A 24 7.470 5.080 -7.670 1.00 0.00 H new ATOM 0 HA THR A 24 5.897 2.716 -8.609 1.00 0.00 H new ATOM 0 HB THR A 24 4.304 4.276 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.309 6.224 -8.486 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.685 5.645 -7.441 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.194 4.021 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.304 5.401 -6.743 1.00 0.00 H new ATOM 340 N PRO A 25 6.522 2.931 -11.035 1.00 0.00 N ATOM 341 CA PRO A 25 7.161 2.813 -12.335 1.00 0.00 C ATOM 342 C PRO A 25 6.949 4.080 -13.167 1.00 0.00 C ATOM 343 O PRO A 25 6.362 4.028 -14.246 1.00 0.00 O ATOM 344 CB PRO A 25 6.541 1.578 -12.967 1.00 0.00 C ATOM 345 CG PRO A 25 5.254 1.319 -12.201 1.00 0.00 C ATOM 346 CD PRO A 25 5.291 2.154 -10.932 1.00 0.00 C ATOM 0 HA PRO A 25 8.244 2.707 -12.264 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.339 1.741 -14.026 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.215 0.724 -12.898 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.388 1.585 -12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.160 0.260 -11.959 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.418 2.803 -10.859 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.294 1.523 -10.043 1.00 0.00 H new ATOM 354 N GLN A 26 7.440 5.189 -12.633 1.00 0.00 N ATOM 355 CA GLN A 26 7.312 6.467 -13.312 1.00 0.00 C ATOM 356 C GLN A 26 7.946 7.579 -12.474 1.00 0.00 C ATOM 357 O GLN A 26 8.766 8.348 -12.975 1.00 0.00 O ATOM 358 CB GLN A 26 5.847 6.780 -13.620 1.00 0.00 C ATOM 359 CG GLN A 26 5.652 7.086 -15.107 1.00 0.00 C ATOM 360 CD GLN A 26 4.352 7.856 -15.342 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.346 9.036 -15.654 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.252 7.126 -15.177 1.00 0.00 N ATOM 0 H GLN A 26 7.927 5.229 -11.738 1.00 0.00 H new ATOM 0 HA GLN A 26 7.844 6.407 -14.262 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.223 5.933 -13.334 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.520 7.632 -13.024 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.496 7.669 -15.476 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.635 6.155 -15.674 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.327 6.143 -14.915 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.334 7.549 -15.312 1.00 0.00 H new ATOM 371 N ASP A 27 7.543 7.630 -11.213 1.00 0.00 N ATOM 372 CA ASP A 27 8.061 8.635 -10.301 1.00 0.00 C ATOM 373 C ASP A 27 8.091 8.063 -8.882 1.00 0.00 C ATOM 374 O ASP A 27 7.808 6.884 -8.679 1.00 0.00 O ATOM 375 CB ASP A 27 7.171 9.880 -10.290 1.00 0.00 C ATOM 376 CG ASP A 27 7.914 11.207 -10.453 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.736 11.286 -11.392 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.643 12.113 -9.636 1.00 0.00 O ATOM 0 H ASP A 27 6.863 6.991 -10.801 1.00 0.00 H new ATOM 0 HA ASP A 27 9.062 8.910 -10.635 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.437 9.791 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.617 9.904 -9.352 1.00 0.00 H new ATOM 383 N CYS A 28 8.437 8.926 -7.938 1.00 0.00 N ATOM 384 CA CYS A 28 8.508 8.522 -6.545 1.00 0.00 C ATOM 385 C CYS A 28 7.532 9.385 -5.743 1.00 0.00 C ATOM 386 O CYS A 28 7.441 10.592 -5.963 1.00 0.00 O ATOM 387 CB CYS A 28 9.934 8.617 -6.000 1.00 0.00 C ATOM 388 SG CYS A 28 10.367 10.367 -5.682 1.00 0.00 S ATOM 0 H CYS A 28 8.671 9.904 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 28 8.224 7.474 -6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.020 8.040 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.635 8.184 -6.714 1.00 0.00 H new ATOM 0 HG CYS A 28 9.289 11.093 -5.710 1.00 0.00 H new ATOM 394 N HIS A 29 6.826 8.733 -4.831 1.00 0.00 N ATOM 395 CA HIS A 29 5.860 9.427 -3.996 1.00 0.00 C ATOM 396 C HIS A 29 5.931 8.881 -2.568 1.00 0.00 C ATOM 397 O HIS A 29 6.029 7.672 -2.366 1.00 0.00 O ATOM 398 CB HIS A 29 4.456 9.334 -4.597 1.00 0.00 C ATOM 399 CG HIS A 29 3.806 10.673 -4.848 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.177 11.504 -5.890 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.804 11.316 -4.181 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.427 12.595 -5.843 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.577 12.477 -4.783 1.00 0.00 N ATOM 0 H HIS A 29 6.903 7.732 -4.652 1.00 0.00 H new ATOM 0 HA HIS A 29 6.105 10.488 -3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.510 8.786 -5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.822 8.754 -3.926 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.284 10.943 -3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.479 13.431 -6.525 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.881 13.167 -4.500 1.00 0.00 H new ATOM 411 N GLU A 30 5.878 9.800 -1.615 1.00 0.00 N ATOM 412 CA GLU A 30 5.935 9.426 -0.212 1.00 0.00 C ATOM 413 C GLU A 30 4.529 9.409 0.390 1.00 0.00 C ATOM 414 O GLU A 30 3.794 10.390 0.289 1.00 0.00 O ATOM 415 CB GLU A 30 6.854 10.367 0.569 1.00 0.00 C ATOM 416 CG GLU A 30 6.199 11.735 0.767 1.00 0.00 C ATOM 417 CD GLU A 30 7.254 12.834 0.903 1.00 0.00 C ATOM 418 OE1 GLU A 30 8.237 12.776 0.133 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.055 13.708 1.775 1.00 0.00 O ATOM 0 H GLU A 30 5.796 10.802 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 30 6.352 8.422 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.089 9.929 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.797 10.485 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.546 11.955 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.572 11.716 1.658 1.00 0.00 H new ATOM 426 N PHE A 31 4.196 8.283 1.004 1.00 0.00 N ATOM 427 CA PHE A 31 2.890 8.125 1.622 1.00 0.00 C ATOM 428 C PHE A 31 2.998 8.168 3.148 1.00 0.00 C ATOM 429 O PHE A 31 4.040 7.835 3.710 1.00 0.00 O ATOM 430 CB PHE A 31 2.358 6.754 1.199 1.00 0.00 C ATOM 431 CG PHE A 31 1.808 6.714 -0.228 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.649 6.868 -1.286 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.478 6.525 -0.439 1.00 0.00 C ATOM 434 CE1 PHE A 31 2.139 6.830 -2.610 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.033 6.487 -1.764 1.00 0.00 C ATOM 436 CZ PHE A 31 0.808 6.641 -2.821 1.00 0.00 C ATOM 0 H PHE A 31 4.808 7.471 1.087 1.00 0.00 H new ATOM 0 HA PHE A 31 2.229 8.933 1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.160 6.021 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.571 6.452 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.705 7.019 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.190 6.404 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.807 6.951 -3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.089 6.336 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.420 6.613 -3.828 1.00 0.00 H new ATOM 446 N PHE A 32 1.906 8.582 3.774 1.00 0.00 N ATOM 447 CA PHE A 32 1.864 8.673 5.224 1.00 0.00 C ATOM 448 C PHE A 32 0.655 7.923 5.786 1.00 0.00 C ATOM 449 O PHE A 32 -0.467 8.427 5.743 1.00 0.00 O ATOM 450 CB PHE A 32 1.737 10.157 5.575 1.00 0.00 C ATOM 451 CG PHE A 32 3.074 10.898 5.635 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.725 11.223 4.486 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.612 11.233 6.839 1.00 0.00 C ATOM 454 CE1 PHE A 32 4.965 11.911 4.542 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.853 11.921 6.895 1.00 0.00 C ATOM 456 CZ PHE A 32 5.504 12.246 5.746 1.00 0.00 C ATOM 0 H PHE A 32 1.044 8.858 3.304 1.00 0.00 H new ATOM 0 HA PHE A 32 2.763 8.229 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.098 10.641 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.238 10.250 6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.298 10.957 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.095 10.976 7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.481 12.169 3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.280 12.186 7.851 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.448 12.769 5.789 1.00 0.00 H new ATOM 466 N LEU A 33 0.924 6.732 6.299 1.00 0.00 N ATOM 467 CA LEU A 33 -0.129 5.907 6.868 1.00 0.00 C ATOM 468 C LEU A 33 0.356 5.311 8.191 1.00 0.00 C ATOM 469 O LEU A 33 1.550 5.335 8.487 1.00 0.00 O ATOM 470 CB LEU A 33 -0.595 4.859 5.856 1.00 0.00 C ATOM 471 CG LEU A 33 0.444 3.815 5.444 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.707 4.485 4.898 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.755 2.864 6.601 1.00 0.00 C ATOM 0 H LEU A 33 1.856 6.318 6.333 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.008 6.512 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.458 4.339 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.937 5.376 4.959 1.00 0.00 H new ATOM 0 HG LEU A 33 0.023 3.214 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.430 3.721 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.452 5.087 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.140 5.125 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.496 2.132 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.147 3.433 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.157 2.349 6.903 1.00 0.00 H new ATOM 485 N ALA A 34 -0.595 4.791 8.953 1.00 0.00 N ATOM 486 CA ALA A 34 -0.280 4.189 10.238 1.00 0.00 C ATOM 487 C ALA A 34 0.891 3.219 10.068 1.00 0.00 C ATOM 488 O ALA A 34 0.919 2.434 9.121 1.00 0.00 O ATOM 489 CB ALA A 34 -1.527 3.506 10.801 1.00 0.00 C ATOM 0 H ALA A 34 -1.584 4.774 8.705 1.00 0.00 H new ATOM 0 HA ALA A 34 0.025 4.951 10.955 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.291 3.055 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.319 4.244 10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.861 2.732 10.110 1.00 0.00 H new ATOM 495 N GLU A 35 1.828 3.304 11.001 1.00 0.00 N ATOM 496 CA GLU A 35 2.998 2.443 10.966 1.00 0.00 C ATOM 497 C GLU A 35 2.622 1.019 11.380 1.00 0.00 C ATOM 498 O GLU A 35 3.455 0.115 11.337 1.00 0.00 O ATOM 499 CB GLU A 35 4.113 2.996 11.857 1.00 0.00 C ATOM 500 CG GLU A 35 3.767 2.826 13.337 1.00 0.00 C ATOM 501 CD GLU A 35 4.984 3.109 14.221 1.00 0.00 C ATOM 502 OE1 GLU A 35 6.043 3.432 13.641 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.827 2.995 15.455 1.00 0.00 O ATOM 0 H GLU A 35 1.801 3.956 11.785 1.00 0.00 H new ATOM 0 HA GLU A 35 3.374 2.416 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.048 2.481 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.271 4.052 11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.954 3.501 13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.411 1.812 13.517 1.00 0.00 H new ATOM 510 N ASN A 36 1.366 0.863 11.773 1.00 0.00 N ATOM 511 CA ASN A 36 0.869 -0.435 12.194 1.00 0.00 C ATOM 512 C ASN A 36 -0.342 -0.815 11.340 1.00 0.00 C ATOM 513 O ASN A 36 -1.227 -1.537 11.796 1.00 0.00 O ATOM 514 CB ASN A 36 0.424 -0.406 13.658 1.00 0.00 C ATOM 515 CG ASN A 36 -0.100 0.979 14.044 1.00 0.00 C ATOM 516 OD1 ASN A 36 -1.045 1.496 13.471 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.565 1.548 15.046 1.00 0.00 N ATOM 0 H ASN A 36 0.678 1.615 11.809 1.00 0.00 H new ATOM 0 HA ASN A 36 1.675 -1.159 12.076 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.354 -1.152 13.820 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.262 -0.674 14.302 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.293 2.473 15.379 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.347 1.059 15.481 1.00 0.00 H new ATOM 524 N SER A 37 -0.343 -0.311 10.114 1.00 0.00 N ATOM 525 CA SER A 37 -1.431 -0.589 9.191 1.00 0.00 C ATOM 526 C SER A 37 -1.066 -1.772 8.293 1.00 0.00 C ATOM 527 O SER A 37 -0.046 -1.742 7.604 1.00 0.00 O ATOM 528 CB SER A 37 -1.760 0.641 8.343 1.00 0.00 C ATOM 529 OG SER A 37 -3.142 0.981 8.409 1.00 0.00 O ATOM 0 H SER A 37 0.392 0.288 9.739 1.00 0.00 H new ATOM 0 HA SER A 37 -2.317 -0.844 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.162 1.486 8.683 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.483 0.451 7.306 1.00 0.00 H new ATOM 0 HG SER A 37 -3.311 1.772 7.856 1.00 0.00 H new ATOM 535 N ASN A 38 -1.918 -2.786 8.328 1.00 0.00 N ATOM 536 CA ASN A 38 -1.698 -3.977 7.525 1.00 0.00 C ATOM 537 C ASN A 38 -1.343 -3.564 6.095 1.00 0.00 C ATOM 538 O ASN A 38 -1.695 -2.471 5.655 1.00 0.00 O ATOM 539 CB ASN A 38 -2.957 -4.843 7.468 1.00 0.00 C ATOM 540 CG ASN A 38 -4.219 -3.979 7.505 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.463 -3.228 8.435 1.00 0.00 O ATOM 542 ND2 ASN A 38 -5.006 -4.126 6.443 1.00 0.00 N ATOM 0 H ASN A 38 -2.762 -2.807 8.900 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.889 -4.547 7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.949 -5.443 6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.963 -5.538 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.873 -3.593 6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.743 -4.772 5.699 1.00 0.00 H new ATOM 549 N VAL A 39 -0.649 -4.461 5.409 1.00 0.00 N ATOM 550 CA VAL A 39 -0.243 -4.204 4.038 1.00 0.00 C ATOM 551 C VAL A 39 -1.455 -3.736 3.231 1.00 0.00 C ATOM 552 O VAL A 39 -1.375 -2.750 2.500 1.00 0.00 O ATOM 553 CB VAL A 39 0.424 -5.448 3.448 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.454 -5.381 1.920 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.832 -5.637 4.016 1.00 0.00 C ATOM 0 H VAL A 39 -0.358 -5.366 5.777 1.00 0.00 H new ATOM 0 HA VAL A 39 0.499 -3.406 4.003 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.172 -6.315 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.933 -6.277 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.565 -5.317 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.015 -4.501 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.284 -6.528 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.442 -4.766 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.775 -5.751 5.098 1.00 0.00 H new ATOM 565 N ARG A 40 -2.550 -4.465 3.391 1.00 0.00 N ATOM 566 CA ARG A 40 -3.777 -4.136 2.686 1.00 0.00 C ATOM 567 C ARG A 40 -4.058 -2.635 2.779 1.00 0.00 C ATOM 568 O ARG A 40 -4.031 -1.931 1.771 1.00 0.00 O ATOM 569 CB ARG A 40 -4.967 -4.907 3.262 1.00 0.00 C ATOM 570 CG ARG A 40 -5.931 -5.336 2.154 1.00 0.00 C ATOM 571 CD ARG A 40 -6.950 -6.350 2.676 1.00 0.00 C ATOM 572 NE ARG A 40 -7.989 -6.597 1.652 1.00 0.00 N ATOM 573 CZ ARG A 40 -7.844 -7.445 0.624 1.00 0.00 C ATOM 574 NH1 ARG A 40 -6.703 -8.131 0.478 1.00 0.00 N ATOM 575 NH2 ARG A 40 -8.840 -7.606 -0.258 1.00 0.00 N ATOM 0 H ARG A 40 -2.613 -5.282 3.998 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.645 -4.420 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.610 -5.786 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.493 -4.284 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.451 -4.462 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.370 -5.772 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.449 -7.284 2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.411 -5.977 3.591 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.871 -6.090 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.945 -8.008 1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.592 -8.776 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.709 -7.083 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.729 -8.251 -1.040 1.00 0.00 H new ATOM 589 N ARG A 41 -4.321 -2.190 3.999 1.00 0.00 N ATOM 590 CA ARG A 41 -4.606 -0.785 4.238 1.00 0.00 C ATOM 591 C ARG A 41 -3.638 0.095 3.445 1.00 0.00 C ATOM 592 O ARG A 41 -4.063 0.958 2.678 1.00 0.00 O ATOM 593 CB ARG A 41 -4.493 -0.445 5.725 1.00 0.00 C ATOM 594 CG ARG A 41 -5.724 -0.929 6.494 1.00 0.00 C ATOM 595 CD ARG A 41 -6.305 0.190 7.360 1.00 0.00 C ATOM 596 NE ARG A 41 -7.694 -0.140 7.749 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.526 0.715 8.360 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.115 1.955 8.654 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.770 0.328 8.675 1.00 0.00 N ATOM 0 H ARG A 41 -4.343 -2.777 4.833 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.628 -0.594 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.596 -0.906 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.384 0.633 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.480 -1.280 5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.454 -1.777 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.692 0.327 8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.286 1.132 6.812 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.040 -1.076 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.169 2.249 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.748 2.605 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.083 -0.616 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.404 0.978 9.140 1.00 0.00 H new ATOM 613 N PHE A 42 -2.354 -0.153 3.656 1.00 0.00 N ATOM 614 CA PHE A 42 -1.321 0.606 2.971 1.00 0.00 C ATOM 615 C PHE A 42 -1.579 0.644 1.463 1.00 0.00 C ATOM 616 O PHE A 42 -1.366 1.670 0.819 1.00 0.00 O ATOM 617 CB PHE A 42 0.006 -0.108 3.232 1.00 0.00 C ATOM 618 CG PHE A 42 1.238 0.691 2.799 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.095 1.961 2.334 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.474 0.131 2.880 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.238 2.702 1.933 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.617 0.872 2.478 1.00 0.00 C ATOM 623 CZ PHE A 42 3.475 2.142 2.013 1.00 0.00 C ATOM 0 H PHE A 42 -2.005 -0.870 4.292 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.309 1.633 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.085 -0.329 4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.002 -1.063 2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.113 2.406 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.587 -0.877 3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.125 3.711 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.599 0.427 2.542 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.344 2.706 1.707 1.00 0.00 H new ATOM 633 N LYS A 43 -2.033 -0.487 0.944 1.00 0.00 N ATOM 634 CA LYS A 43 -2.321 -0.596 -0.476 1.00 0.00 C ATOM 635 C LYS A 43 -3.492 0.324 -0.826 1.00 0.00 C ATOM 636 O LYS A 43 -3.442 1.047 -1.821 1.00 0.00 O ATOM 637 CB LYS A 43 -2.551 -2.058 -0.865 1.00 0.00 C ATOM 638 CG LYS A 43 -1.294 -2.895 -0.619 1.00 0.00 C ATOM 639 CD LYS A 43 -1.656 -4.347 -0.301 1.00 0.00 C ATOM 640 CE LYS A 43 -0.820 -5.317 -1.139 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.679 -6.042 -2.102 1.00 0.00 N ATOM 0 H LYS A 43 -2.209 -1.336 1.481 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.466 -0.264 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.382 -2.465 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.833 -2.118 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.652 -2.861 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.725 -2.469 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.493 -4.542 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.716 -4.512 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.045 -4.769 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.314 -6.028 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.659 -7.059 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.655 -5.692 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.327 -5.885 -3.068 1.00 0.00 H new ATOM 655 N LYS A 44 -4.518 0.269 0.010 1.00 0.00 N ATOM 656 CA LYS A 44 -5.699 1.089 -0.199 1.00 0.00 C ATOM 657 C LYS A 44 -5.274 2.544 -0.405 1.00 0.00 C ATOM 658 O LYS A 44 -5.706 3.191 -1.358 1.00 0.00 O ATOM 659 CB LYS A 44 -6.695 0.896 0.947 1.00 0.00 C ATOM 660 CG LYS A 44 -7.512 -0.384 0.753 1.00 0.00 C ATOM 661 CD LYS A 44 -8.508 -0.577 1.898 1.00 0.00 C ATOM 662 CE LYS A 44 -9.256 -1.904 1.756 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.633 -1.672 1.263 1.00 0.00 N ATOM 0 H LYS A 44 -4.556 -0.331 0.834 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.223 0.778 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.159 0.850 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.364 1.755 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.047 -0.338 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.843 -1.243 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.980 -0.553 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.221 0.247 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.722 -2.558 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.289 -2.415 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.127 -2.583 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.145 -1.066 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.595 -1.204 0.335 1.00 0.00 H new ATOM 677 N GLN A 45 -4.433 3.016 0.504 1.00 0.00 N ATOM 678 CA GLN A 45 -3.946 4.383 0.433 1.00 0.00 C ATOM 679 C GLN A 45 -3.422 4.688 -0.972 1.00 0.00 C ATOM 680 O GLN A 45 -3.548 5.813 -1.454 1.00 0.00 O ATOM 681 CB GLN A 45 -2.865 4.635 1.487 1.00 0.00 C ATOM 682 CG GLN A 45 -3.241 5.815 2.386 1.00 0.00 C ATOM 683 CD GLN A 45 -2.054 6.763 2.570 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.180 7.975 2.510 1.00 0.00 O ATOM 685 NE2 GLN A 45 -0.898 6.146 2.796 1.00 0.00 N ATOM 0 H GLN A 45 -4.077 2.476 1.293 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.778 5.055 0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.728 3.740 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.913 4.836 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.080 6.357 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.571 5.446 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.862 5.127 2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.047 6.691 2.932 1.00 0.00 H new ATOM 694 N ILE A 46 -2.847 3.667 -1.589 1.00 0.00 N ATOM 695 CA ILE A 46 -2.304 3.812 -2.929 1.00 0.00 C ATOM 696 C ILE A 46 -3.454 3.854 -3.938 1.00 0.00 C ATOM 697 O ILE A 46 -3.448 4.671 -4.857 1.00 0.00 O ATOM 698 CB ILE A 46 -1.277 2.714 -3.213 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.143 2.746 -2.185 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.753 2.811 -4.647 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.376 1.336 -1.897 1.00 0.00 C ATOM 0 H ILE A 46 -2.745 2.736 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.763 4.754 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.773 1.748 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.671 3.368 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.498 3.203 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.025 2.019 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.583 2.702 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.278 3.781 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.181 1.387 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.435 0.723 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.752 0.892 -2.818 1.00 0.00 H new ATOM 713 N SER A 47 -4.412 2.962 -3.733 1.00 0.00 N ATOM 714 CA SER A 47 -5.565 2.887 -4.614 1.00 0.00 C ATOM 715 C SER A 47 -6.301 4.228 -4.627 1.00 0.00 C ATOM 716 O SER A 47 -7.078 4.504 -5.541 1.00 0.00 O ATOM 717 CB SER A 47 -6.513 1.765 -4.184 1.00 0.00 C ATOM 718 OG SER A 47 -7.162 2.058 -2.950 1.00 0.00 O ATOM 0 H SER A 47 -4.413 2.285 -2.970 1.00 0.00 H new ATOM 0 HA SER A 47 -5.213 2.663 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.263 1.607 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.953 0.835 -4.087 1.00 0.00 H new ATOM 0 HG SER A 47 -6.710 2.810 -2.513 1.00 0.00 H new ATOM 724 N LYS A 48 -6.031 5.025 -3.604 1.00 0.00 N ATOM 725 CA LYS A 48 -6.658 6.331 -3.488 1.00 0.00 C ATOM 726 C LYS A 48 -6.020 7.290 -4.494 1.00 0.00 C ATOM 727 O LYS A 48 -6.719 7.913 -5.293 1.00 0.00 O ATOM 728 CB LYS A 48 -6.597 6.827 -2.042 1.00 0.00 C ATOM 729 CG LYS A 48 -7.413 5.922 -1.117 1.00 0.00 C ATOM 730 CD LYS A 48 -8.651 6.649 -0.589 1.00 0.00 C ATOM 731 CE LYS A 48 -9.882 5.741 -0.634 1.00 0.00 C ATOM 732 NZ LYS A 48 -10.406 5.510 0.730 1.00 0.00 N ATOM 0 H LYS A 48 -5.387 4.792 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.718 6.268 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.560 6.855 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.978 7.847 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.716 5.024 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.793 5.598 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.475 6.978 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.833 7.544 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.654 6.196 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.622 4.789 -1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.241 4.892 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.673 5.056 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.673 6.419 1.158 1.00 0.00 H new ATOM 746 N TYR A 49 -4.700 7.379 -4.424 1.00 0.00 N ATOM 747 CA TYR A 49 -3.960 8.252 -5.319 1.00 0.00 C ATOM 748 C TYR A 49 -3.754 7.591 -6.683 1.00 0.00 C ATOM 749 O TYR A 49 -4.328 8.026 -7.681 1.00 0.00 O ATOM 750 CB TYR A 49 -2.596 8.472 -4.661 1.00 0.00 C ATOM 751 CG TYR A 49 -1.618 9.285 -5.513 1.00 0.00 C ATOM 752 CD1 TYR A 49 -1.835 10.633 -5.714 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.520 8.670 -6.079 1.00 0.00 C ATOM 754 CE1 TYR A 49 -0.914 11.398 -6.516 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.400 9.435 -6.880 1.00 0.00 C ATOM 756 CZ TYR A 49 0.157 10.761 -7.059 1.00 0.00 C ATOM 757 OH TYR A 49 1.026 11.483 -7.816 1.00 0.00 O ATOM 0 H TYR A 49 -4.124 6.861 -3.761 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.502 9.184 -5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.742 8.981 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.150 7.502 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.694 11.114 -5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.351 7.615 -5.921 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.071 12.454 -6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.263 8.966 -7.328 1.00 0.00 H new ATOM 0 HH TYR A 49 1.743 10.898 -8.138 1.00 0.00 H new ATOM 767 N LEU A 50 -2.934 6.551 -6.684 1.00 0.00 N ATOM 768 CA LEU A 50 -2.645 5.826 -7.909 1.00 0.00 C ATOM 769 C LEU A 50 -3.941 5.635 -8.701 1.00 0.00 C ATOM 770 O LEU A 50 -3.921 5.592 -9.930 1.00 0.00 O ATOM 771 CB LEU A 50 -1.916 4.518 -7.599 1.00 0.00 C ATOM 772 CG LEU A 50 -0.388 4.570 -7.661 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.186 5.299 -6.445 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.203 3.168 -7.820 1.00 0.00 C ATOM 0 H LEU A 50 -2.460 6.193 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.966 6.400 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.208 4.190 -6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.262 3.758 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.102 5.142 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.274 5.322 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.197 6.319 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.109 4.777 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.290 3.234 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.091 2.551 -6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.169 2.719 -8.741 1.00 0.00 H new ATOM 786 N HIS A 51 -5.036 5.524 -7.963 1.00 0.00 N ATOM 787 CA HIS A 51 -6.338 5.339 -8.581 1.00 0.00 C ATOM 788 C HIS A 51 -6.372 3.996 -9.314 1.00 0.00 C ATOM 789 O HIS A 51 -6.785 3.927 -10.471 1.00 0.00 O ATOM 790 CB HIS A 51 -6.682 6.520 -9.490 1.00 0.00 C ATOM 791 CG HIS A 51 -7.070 7.775 -8.746 1.00 0.00 C ATOM 792 ND1 HIS A 51 -8.203 7.858 -7.956 1.00 0.00 N ATOM 793 CD2 HIS A 51 -6.464 8.996 -8.680 1.00 0.00 C ATOM 794 CE1 HIS A 51 -8.266 9.078 -7.442 1.00 0.00 C ATOM 795 NE2 HIS A 51 -7.188 9.782 -7.893 1.00 0.00 N ATOM 0 H HIS A 51 -5.048 5.559 -6.944 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.109 5.313 -7.811 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.824 6.738 -10.126 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.502 6.232 -10.148 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.550 9.275 -9.183 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.036 9.450 -6.782 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.974 10.752 -7.663 1.00 0.00 H new ATOM 803 N CYS A 52 -5.931 2.963 -8.612 1.00 0.00 N ATOM 804 CA CYS A 52 -5.905 1.627 -9.181 1.00 0.00 C ATOM 805 C CYS A 52 -6.620 0.679 -8.217 1.00 0.00 C ATOM 806 O CYS A 52 -6.969 1.068 -7.103 1.00 0.00 O ATOM 807 CB CYS A 52 -4.476 1.166 -9.479 1.00 0.00 C ATOM 808 SG CYS A 52 -3.719 2.252 -10.743 1.00 0.00 S ATOM 0 H CYS A 52 -5.588 3.025 -7.653 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.424 1.628 -10.139 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.881 1.187 -8.566 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.484 0.135 -9.831 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.833 3.493 -10.373 1.00 0.00 H new ATOM 814 N ASN A 53 -6.818 -0.546 -8.679 1.00 0.00 N ATOM 815 CA ASN A 53 -7.486 -1.553 -7.871 1.00 0.00 C ATOM 816 C ASN A 53 -6.473 -2.189 -6.917 1.00 0.00 C ATOM 817 O ASN A 53 -5.428 -2.673 -7.349 1.00 0.00 O ATOM 818 CB ASN A 53 -8.072 -2.662 -8.747 1.00 0.00 C ATOM 819 CG ASN A 53 -9.450 -2.267 -9.283 1.00 0.00 C ATOM 820 OD1 ASN A 53 -9.596 -1.767 -10.386 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.450 -2.519 -8.442 1.00 0.00 N ATOM 0 H ASN A 53 -6.528 -0.865 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.291 -1.065 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.399 -2.867 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.153 -3.583 -8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.408 -2.292 -8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.258 -2.940 -7.533 1.00 0.00 H new ATOM 828 N ALA A 54 -6.819 -2.168 -5.638 1.00 0.00 N ATOM 829 CA ALA A 54 -5.952 -2.736 -4.620 1.00 0.00 C ATOM 830 C ALA A 54 -5.879 -4.253 -4.808 1.00 0.00 C ATOM 831 O ALA A 54 -5.003 -4.910 -4.248 1.00 0.00 O ATOM 832 CB ALA A 54 -6.469 -2.345 -3.234 1.00 0.00 C ATOM 0 H ALA A 54 -7.687 -1.767 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.940 -2.343 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.819 -2.771 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.475 -1.259 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.482 -2.726 -3.103 1.00 0.00 H new ATOM 838 N ASP A 55 -6.811 -4.765 -5.599 1.00 0.00 N ATOM 839 CA ASP A 55 -6.863 -6.192 -5.868 1.00 0.00 C ATOM 840 C ASP A 55 -5.718 -6.571 -6.809 1.00 0.00 C ATOM 841 O ASP A 55 -5.360 -7.743 -6.917 1.00 0.00 O ATOM 842 CB ASP A 55 -8.179 -6.577 -6.545 1.00 0.00 C ATOM 843 CG ASP A 55 -8.232 -8.006 -7.090 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.835 -8.917 -6.333 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.668 -8.154 -8.252 1.00 0.00 O ATOM 0 H ASP A 55 -7.536 -4.217 -6.062 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.780 -6.718 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.990 -6.447 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.364 -5.884 -7.366 1.00 0.00 H new ATOM 850 N ARG A 56 -5.175 -5.557 -7.467 1.00 0.00 N ATOM 851 CA ARG A 56 -4.078 -5.769 -8.396 1.00 0.00 C ATOM 852 C ARG A 56 -2.801 -5.112 -7.868 1.00 0.00 C ATOM 853 O ARG A 56 -1.781 -5.088 -8.556 1.00 0.00 O ATOM 854 CB ARG A 56 -4.406 -5.196 -9.776 1.00 0.00 C ATOM 855 CG ARG A 56 -5.739 -5.740 -10.293 1.00 0.00 C ATOM 856 CD ARG A 56 -5.547 -7.084 -10.997 1.00 0.00 C ATOM 857 NE ARG A 56 -6.366 -7.132 -12.229 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.661 -7.479 -12.257 1.00 0.00 C ATOM 859 NH1 ARG A 56 -8.290 -7.810 -11.121 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.325 -7.494 -13.420 1.00 0.00 N ATOM 0 H ARG A 56 -5.474 -4.586 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.925 -6.844 -8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.450 -4.108 -9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.610 -5.448 -10.477 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.435 -5.857 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.185 -5.024 -10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.495 -7.227 -11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.831 -7.897 -10.329 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.918 -6.886 -13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.784 -7.798 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.275 -8.074 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.846 -7.242 -14.284 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.310 -7.758 -13.442 1.00 0.00 H new ATOM 874 N LEU A 57 -2.899 -4.593 -6.653 1.00 0.00 N ATOM 875 CA LEU A 57 -1.764 -3.937 -6.026 1.00 0.00 C ATOM 876 C LEU A 57 -0.973 -4.963 -5.212 1.00 0.00 C ATOM 877 O LEU A 57 -1.555 -5.849 -4.589 1.00 0.00 O ATOM 878 CB LEU A 57 -2.228 -2.730 -5.208 1.00 0.00 C ATOM 879 CG LEU A 57 -2.632 -1.491 -6.011 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.168 -0.393 -5.091 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.472 -0.998 -6.878 1.00 0.00 C ATOM 0 H LEU A 57 -3.747 -4.613 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.088 -3.540 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.077 -3.035 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.427 -2.450 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.442 -1.769 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.448 0.476 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.042 -0.762 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.396 -0.109 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.785 -0.117 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.625 -0.741 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.178 -1.784 -7.573 1.00 0.00 H new ATOM 893 N VAL A 58 0.343 -4.810 -5.246 1.00 0.00 N ATOM 894 CA VAL A 58 1.220 -5.712 -4.519 1.00 0.00 C ATOM 895 C VAL A 58 2.213 -4.894 -3.691 1.00 0.00 C ATOM 896 O VAL A 58 2.785 -3.923 -4.183 1.00 0.00 O ATOM 897 CB VAL A 58 1.903 -6.674 -5.493 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.598 -7.812 -4.742 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.905 -7.220 -6.515 1.00 0.00 C ATOM 0 H VAL A 58 0.823 -4.075 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 58 0.647 -6.326 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 58 2.666 -6.116 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.076 -8.482 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.352 -7.399 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.862 -8.367 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.417 -7.901 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.109 -7.755 -5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.477 -6.394 -7.083 1.00 0.00 H new ATOM 909 N LEU A 59 2.387 -5.317 -2.448 1.00 0.00 N ATOM 910 CA LEU A 59 3.301 -4.636 -1.546 1.00 0.00 C ATOM 911 C LEU A 59 4.648 -5.362 -1.548 1.00 0.00 C ATOM 912 O LEU A 59 4.702 -6.577 -1.368 1.00 0.00 O ATOM 913 CB LEU A 59 2.679 -4.497 -0.156 1.00 0.00 C ATOM 914 CG LEU A 59 2.688 -3.091 0.447 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.112 -2.655 0.799 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.997 -2.092 -0.483 1.00 0.00 C ATOM 0 H LEU A 59 1.911 -6.123 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 59 3.487 -3.618 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.646 -4.842 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.206 -5.166 0.524 1.00 0.00 H new ATOM 0 HG LEU A 59 2.119 -3.114 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.090 -1.652 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.536 -3.349 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.725 -2.653 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.017 -1.100 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.518 -2.065 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.963 -2.398 -0.641 1.00 0.00 H new ATOM 928 N ILE A 60 5.702 -4.586 -1.754 1.00 0.00 N ATOM 929 CA ILE A 60 7.045 -5.140 -1.781 1.00 0.00 C ATOM 930 C ILE A 60 7.992 -4.210 -1.020 1.00 0.00 C ATOM 931 O ILE A 60 8.218 -3.074 -1.435 1.00 0.00 O ATOM 932 CB ILE A 60 7.481 -5.418 -3.221 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.543 -6.422 -3.894 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.941 -5.872 -3.274 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.578 -5.717 -4.849 1.00 0.00 C ATOM 0 H ILE A 60 5.653 -3.578 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 60 7.069 -6.104 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 60 7.413 -4.487 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.128 -7.160 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.978 -6.963 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.225 -6.063 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.580 -5.092 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.059 -6.785 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.923 -6.454 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.978 -4.997 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.145 -5.197 -5.621 1.00 0.00 H new ATOM 947 N PHE A 61 8.519 -4.725 0.080 1.00 0.00 N ATOM 948 CA PHE A 61 9.436 -3.955 0.903 1.00 0.00 C ATOM 949 C PHE A 61 10.820 -4.607 0.939 1.00 0.00 C ATOM 950 O PHE A 61 10.933 -5.825 1.062 1.00 0.00 O ATOM 951 CB PHE A 61 8.858 -3.934 2.319 1.00 0.00 C ATOM 952 CG PHE A 61 9.862 -3.519 3.395 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.217 -2.212 3.527 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.400 -4.455 4.221 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.149 -1.827 4.526 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.333 -4.070 5.221 1.00 0.00 C ATOM 957 CZ PHE A 61 11.688 -2.764 5.352 1.00 0.00 C ATOM 0 H PHE A 61 8.329 -5.667 0.421 1.00 0.00 H new ATOM 0 HA PHE A 61 9.548 -2.950 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.010 -3.249 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.474 -4.926 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.790 -1.468 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.118 -5.492 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.430 -0.790 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.760 -4.814 5.877 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.398 -2.471 6.111 1.00 0.00 H new ATOM 967 N THR A 62 11.838 -3.766 0.831 1.00 0.00 N ATOM 968 CA THR A 62 13.210 -4.245 0.850 1.00 0.00 C ATOM 969 C THR A 62 13.400 -5.359 -0.181 1.00 0.00 C ATOM 970 O THR A 62 14.342 -6.144 -0.086 1.00 0.00 O ATOM 971 CB THR A 62 13.539 -4.679 2.280 1.00 0.00 C ATOM 972 OG1 THR A 62 14.950 -4.880 2.266 1.00 0.00 O ATOM 973 CG2 THR A 62 12.969 -6.057 2.620 1.00 0.00 C ATOM 0 H THR A 62 11.740 -2.756 0.730 1.00 0.00 H new ATOM 0 HA THR A 62 13.908 -3.458 0.564 1.00 0.00 H new ATOM 0 HB THR A 62 13.148 -3.942 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.189 -5.471 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.231 -6.316 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.884 -6.038 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.385 -6.801 1.940 1.00 0.00 H new ATOM 981 N GLY A 63 12.491 -5.391 -1.144 1.00 0.00 N ATOM 982 CA GLY A 63 12.547 -6.396 -2.193 1.00 0.00 C ATOM 983 C GLY A 63 11.738 -7.636 -1.808 1.00 0.00 C ATOM 984 O GLY A 63 11.519 -8.520 -2.635 1.00 0.00 O ATOM 0 H GLY A 63 11.712 -4.738 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.159 -5.979 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.584 -6.677 -2.378 1.00 0.00 H new ATOM 988 N LYS A 64 11.317 -7.662 -0.552 1.00 0.00 N ATOM 989 CA LYS A 64 10.538 -8.780 -0.047 1.00 0.00 C ATOM 990 C LYS A 64 9.049 -8.438 -0.135 1.00 0.00 C ATOM 991 O LYS A 64 8.605 -7.431 0.414 1.00 0.00 O ATOM 992 CB LYS A 64 10.998 -9.162 1.361 1.00 0.00 C ATOM 993 CG LYS A 64 12.423 -9.718 1.340 1.00 0.00 C ATOM 994 CD LYS A 64 12.424 -11.233 1.557 1.00 0.00 C ATOM 995 CE LYS A 64 12.222 -11.575 3.034 1.00 0.00 C ATOM 996 NZ LYS A 64 12.375 -13.031 3.254 1.00 0.00 N ATOM 0 H LYS A 64 11.501 -6.927 0.131 1.00 0.00 H new ATOM 0 HA LYS A 64 10.700 -9.666 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.954 -8.288 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.320 -9.905 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.895 -9.483 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.017 -9.235 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.633 -11.690 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.367 -11.653 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.945 -11.031 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.231 -11.255 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.235 -13.246 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.668 -13.544 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.329 -13.327 2.966 1.00 0.00 H new ATOM 1010 N ILE A 65 8.318 -9.298 -0.830 1.00 0.00 N ATOM 1011 CA ILE A 65 6.888 -9.100 -0.997 1.00 0.00 C ATOM 1012 C ILE A 65 6.182 -9.364 0.334 1.00 0.00 C ATOM 1013 O ILE A 65 6.628 -10.195 1.123 1.00 0.00 O ATOM 1014 CB ILE A 65 6.361 -9.953 -2.153 1.00 0.00 C ATOM 1015 CG1 ILE A 65 7.058 -9.590 -3.465 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.839 -9.845 -2.264 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.915 -10.753 -3.971 1.00 0.00 C ATOM 0 H ILE A 65 8.689 -10.133 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 65 6.676 -8.067 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 65 6.596 -10.996 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.313 -9.329 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.684 -8.710 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.490 -10.461 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.381 -10.191 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.560 -8.806 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.399 -10.469 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.674 -10.996 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.282 -11.624 -4.141 1.00 0.00 H new ATOM 1029 N LEU A 66 5.091 -8.641 0.542 1.00 0.00 N ATOM 1030 CA LEU A 66 4.319 -8.786 1.764 1.00 0.00 C ATOM 1031 C LEU A 66 2.932 -9.336 1.424 1.00 0.00 C ATOM 1032 O LEU A 66 2.690 -9.763 0.296 1.00 0.00 O ATOM 1033 CB LEU A 66 4.284 -7.466 2.536 1.00 0.00 C ATOM 1034 CG LEU A 66 5.567 -6.633 2.499 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.305 -5.201 2.967 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.680 -7.305 3.305 1.00 0.00 C ATOM 0 H LEU A 66 4.724 -7.953 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 66 4.794 -9.506 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.469 -6.859 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.045 -7.683 3.577 1.00 0.00 H new ATOM 0 HG LEU A 66 5.907 -6.576 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.233 -4.631 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.567 -4.734 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.928 -5.216 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.581 -6.693 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.363 -7.413 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.890 -8.289 2.885 1.00 0.00 H new ATOM 1048 N ARG A 67 2.058 -9.308 2.419 1.00 0.00 N ATOM 1049 CA ARG A 67 0.703 -9.798 2.240 1.00 0.00 C ATOM 1050 C ARG A 67 -0.283 -8.933 3.027 1.00 0.00 C ATOM 1051 O ARG A 67 0.028 -8.473 4.125 1.00 0.00 O ATOM 1052 CB ARG A 67 0.577 -11.251 2.701 1.00 0.00 C ATOM 1053 CG ARG A 67 1.000 -12.217 1.592 1.00 0.00 C ATOM 1054 CD ARG A 67 -0.196 -12.609 0.721 1.00 0.00 C ATOM 1055 NE ARG A 67 -0.409 -14.072 0.783 1.00 0.00 N ATOM 1056 CZ ARG A 67 -1.093 -14.771 -0.133 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -1.634 -14.145 -1.187 1.00 0.00 N ATOM 1058 NH2 ARG A 67 -1.235 -16.096 0.004 1.00 0.00 N ATOM 0 H ARG A 67 2.263 -8.953 3.353 1.00 0.00 H new ATOM 0 HA ARG A 67 0.469 -9.745 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.196 -11.411 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.453 -11.456 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.768 -11.753 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.442 -13.111 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.091 -12.088 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.022 -12.302 -0.310 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.010 -14.580 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.525 -13.136 -1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.155 -14.677 -1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.822 -16.573 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.756 -16.628 -0.693 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.453 -8.737 2.436 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.486 -7.935 3.068 1.00 0.00 C ATOM 1074 C ASP A 68 -2.614 -8.342 4.538 1.00 0.00 C ATOM 1075 O ASP A 68 -2.938 -7.515 5.389 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.843 -8.156 2.397 1.00 0.00 C ATOM 1077 CG ASP A 68 -4.006 -9.507 1.697 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.471 -9.632 0.574 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.661 -10.384 2.300 1.00 0.00 O ATOM 0 H ASP A 68 -1.708 -9.120 1.526 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.203 -6.887 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.624 -8.058 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.003 -7.363 1.666 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.353 -9.617 4.790 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.434 -10.143 6.142 1.00 0.00 C ATOM 1086 C GLN A 69 -1.081 -10.014 6.844 1.00 0.00 C ATOM 1087 O GLN A 69 -0.697 -10.885 7.624 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.913 -11.597 6.136 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.971 -12.481 5.316 1.00 0.00 C ATOM 1090 CD GLN A 69 -2.182 -13.960 5.645 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.518 -14.333 6.757 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.968 -14.778 4.619 1.00 0.00 N ATOM 0 H GLN A 69 -2.086 -10.300 4.081 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.166 -9.556 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.969 -11.970 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.920 -11.650 5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.143 -12.313 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.937 -12.203 5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.688 -14.399 3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.083 -15.785 4.737 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.396 -8.921 6.543 1.00 0.00 N ATOM 1102 CA ASP A 70 0.907 -8.667 7.136 1.00 0.00 C ATOM 1103 C ASP A 70 1.026 -7.180 7.475 1.00 0.00 C ATOM 1104 O ASP A 70 0.526 -6.330 6.740 1.00 0.00 O ATOM 1105 CB ASP A 70 2.033 -9.023 6.164 1.00 0.00 C ATOM 1106 CG ASP A 70 1.997 -10.456 5.628 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.070 -11.190 6.033 1.00 0.00 O ATOM 1108 OD2 ASP A 70 2.897 -10.784 4.826 1.00 0.00 O ATOM 0 H ASP A 70 -0.718 -8.201 5.896 1.00 0.00 H new ATOM 0 HA ASP A 70 0.997 -9.282 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.995 -8.334 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.988 -8.862 6.664 1.00 0.00 H new ATOM 1113 N ILE A 71 1.692 -6.912 8.589 1.00 0.00 N ATOM 1114 CA ILE A 71 1.884 -5.542 9.034 1.00 0.00 C ATOM 1115 C ILE A 71 3.193 -5.001 8.455 1.00 0.00 C ATOM 1116 O ILE A 71 4.046 -5.770 8.013 1.00 0.00 O ATOM 1117 CB ILE A 71 1.806 -5.459 10.560 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.368 -5.646 11.046 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.419 -4.153 11.070 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.264 -6.892 10.423 1.00 0.00 C ATOM 0 H ILE A 71 2.105 -7.620 9.196 1.00 0.00 H new ATOM 0 HA ILE A 71 1.082 -4.904 8.661 1.00 0.00 H new ATOM 0 HB ILE A 71 2.395 -6.275 10.977 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.356 -5.732 12.133 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.223 -4.767 10.790 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.351 -4.119 12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.466 -4.101 10.770 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.878 -3.307 10.646 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.286 -7.001 10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.273 -6.792 9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.316 -7.772 10.701 1.00 0.00 H new ATOM 1132 N LEU A 72 3.311 -3.681 8.476 1.00 0.00 N ATOM 1133 CA LEU A 72 4.501 -3.028 7.958 1.00 0.00 C ATOM 1134 C LEU A 72 5.643 -3.188 8.963 1.00 0.00 C ATOM 1135 O LEU A 72 6.602 -3.915 8.708 1.00 0.00 O ATOM 1136 CB LEU A 72 4.199 -1.572 7.597 1.00 0.00 C ATOM 1137 CG LEU A 72 2.776 -1.281 7.118 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.638 0.172 6.660 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.352 -2.268 6.028 1.00 0.00 C ATOM 0 H LEU A 72 2.602 -3.046 8.844 1.00 0.00 H new ATOM 0 HA LEU A 72 4.823 -3.502 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.401 -0.953 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.894 -1.260 6.818 1.00 0.00 H new ATOM 0 HG LEU A 72 2.097 -1.419 7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.617 0.352 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.870 0.839 7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.329 0.362 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.336 -2.039 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.030 -2.186 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.387 -3.283 6.423 1.00 0.00 H new ATOM 1151 N SER A 73 5.503 -2.497 10.085 1.00 0.00 N ATOM 1152 CA SER A 73 6.511 -2.554 11.130 1.00 0.00 C ATOM 1153 C SER A 73 6.977 -3.997 11.330 1.00 0.00 C ATOM 1154 O SER A 73 8.172 -4.282 11.269 1.00 0.00 O ATOM 1155 CB SER A 73 5.975 -1.982 12.444 1.00 0.00 C ATOM 1156 OG SER A 73 6.552 -0.715 12.749 1.00 0.00 O ATOM 0 H SER A 73 4.707 -1.895 10.293 1.00 0.00 H new ATOM 0 HA SER A 73 7.360 -1.945 10.820 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.892 -1.881 12.380 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.183 -2.680 13.255 1.00 0.00 H new ATOM 0 HG SER A 73 6.183 -0.382 13.594 1.00 0.00 H new ATOM 1162 N GLN A 74 6.009 -4.871 11.565 1.00 0.00 N ATOM 1163 CA GLN A 74 6.305 -6.278 11.775 1.00 0.00 C ATOM 1164 C GLN A 74 7.338 -6.760 10.755 1.00 0.00 C ATOM 1165 O GLN A 74 8.380 -7.298 11.128 1.00 0.00 O ATOM 1166 CB GLN A 74 5.031 -7.122 11.706 1.00 0.00 C ATOM 1167 CG GLN A 74 4.291 -7.109 13.046 1.00 0.00 C ATOM 1168 CD GLN A 74 3.152 -8.130 13.053 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.353 -9.325 12.914 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.946 -7.594 13.221 1.00 0.00 N ATOM 0 H GLN A 74 5.019 -4.632 11.615 1.00 0.00 H new ATOM 0 HA GLN A 74 6.726 -6.396 12.773 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.378 -6.738 10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.284 -8.147 11.436 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.989 -7.332 13.853 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.892 -6.112 13.236 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.847 -6.585 13.332 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.120 -8.192 13.239 1.00 0.00 H new ATOM 1179 N ARG A 75 7.014 -6.551 9.487 1.00 0.00 N ATOM 1180 CA ARG A 75 7.901 -6.958 8.411 1.00 0.00 C ATOM 1181 C ARG A 75 9.240 -6.225 8.521 1.00 0.00 C ATOM 1182 O ARG A 75 10.295 -6.815 8.296 1.00 0.00 O ATOM 1183 CB ARG A 75 7.279 -6.667 7.044 1.00 0.00 C ATOM 1184 CG ARG A 75 6.049 -7.546 6.804 1.00 0.00 C ATOM 1185 CD ARG A 75 6.453 -9.004 6.578 1.00 0.00 C ATOM 1186 NE ARG A 75 5.291 -9.892 6.806 1.00 0.00 N ATOM 1187 CZ ARG A 75 4.817 -10.212 8.018 1.00 0.00 C ATOM 1188 NH1 ARG A 75 5.401 -9.718 9.118 1.00 0.00 N ATOM 1189 NH2 ARG A 75 3.757 -11.025 8.129 1.00 0.00 N ATOM 0 H ARG A 75 6.149 -6.105 9.181 1.00 0.00 H new ATOM 0 HA ARG A 75 8.062 -8.032 8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.997 -5.616 6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.015 -6.844 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.377 -7.479 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.499 -7.179 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.826 -9.133 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.265 -9.274 7.253 1.00 0.00 H new ATOM 0 HE ARG A 75 4.822 -10.285 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.207 -9.098 9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.040 -9.962 10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.312 -11.400 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.396 -11.269 9.051 1.00 0.00 H new ATOM 1203 N GLY A 76 9.152 -4.949 8.866 1.00 0.00 N ATOM 1204 CA GLY A 76 10.344 -4.129 9.008 1.00 0.00 C ATOM 1205 C GLY A 76 10.066 -2.682 8.593 1.00 0.00 C ATOM 1206 O GLY A 76 10.695 -1.755 9.101 1.00 0.00 O ATOM 0 H GLY A 76 8.275 -4.463 9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.687 -4.155 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.147 -4.539 8.396 1.00 0.00 H new ATOM 1210 N ILE A 77 9.123 -2.534 7.674 1.00 0.00 N ATOM 1211 CA ILE A 77 8.755 -1.217 7.185 1.00 0.00 C ATOM 1212 C ILE A 77 8.716 -0.235 8.358 1.00 0.00 C ATOM 1213 O ILE A 77 7.794 -0.271 9.172 1.00 0.00 O ATOM 1214 CB ILE A 77 7.446 -1.285 6.396 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.668 -1.912 5.018 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.791 0.095 6.300 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.352 -2.428 4.432 1.00 0.00 C ATOM 0 H ILE A 77 8.603 -3.305 7.255 1.00 0.00 H new ATOM 0 HA ILE A 77 9.504 -0.848 6.484 1.00 0.00 H new ATOM 0 HB ILE A 77 6.755 -1.932 6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.105 -1.174 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.381 -2.733 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.862 0.018 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.576 0.466 7.302 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.468 0.785 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.538 -2.869 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.930 -3.183 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.650 -1.601 4.330 1.00 0.00 H new ATOM 1229 N LEU A 78 9.727 0.619 8.407 1.00 0.00 N ATOM 1230 CA LEU A 78 9.820 1.609 9.466 1.00 0.00 C ATOM 1231 C LEU A 78 9.627 3.006 8.872 1.00 0.00 C ATOM 1232 O LEU A 78 9.153 3.145 7.746 1.00 0.00 O ATOM 1233 CB LEU A 78 11.130 1.445 10.240 1.00 0.00 C ATOM 1234 CG LEU A 78 10.994 1.134 11.731 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.193 -0.151 11.952 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.366 1.077 12.407 1.00 0.00 C ATOM 0 H LEU A 78 10.489 0.646 7.730 1.00 0.00 H new ATOM 0 HA LEU A 78 9.025 1.461 10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.707 0.646 9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.710 2.362 10.132 1.00 0.00 H new ATOM 0 HG LEU A 78 10.437 1.946 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.111 -0.349 13.021 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.196 -0.036 11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.701 -0.984 11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.241 0.854 13.467 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.969 0.297 11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.867 2.039 12.295 1.00 0.00 H new ATOM 1248 N ASP A 79 10.006 4.005 9.655 1.00 0.00 N ATOM 1249 CA ASP A 79 9.881 5.386 9.221 1.00 0.00 C ATOM 1250 C ASP A 79 11.003 5.708 8.231 1.00 0.00 C ATOM 1251 O ASP A 79 12.170 5.425 8.497 1.00 0.00 O ATOM 1252 CB ASP A 79 10.003 6.349 10.403 1.00 0.00 C ATOM 1253 CG ASP A 79 11.053 5.962 11.447 1.00 0.00 C ATOM 1254 OD1 ASP A 79 12.055 5.336 11.038 1.00 0.00 O ATOM 1255 OD2 ASP A 79 10.829 6.301 12.629 1.00 0.00 O ATOM 0 H ASP A 79 10.400 3.886 10.588 1.00 0.00 H new ATOM 0 HA ASP A 79 8.901 5.506 8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.241 7.341 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.033 6.421 10.895 1.00 0.00 H new ATOM 1260 N GLY A 80 10.609 6.296 7.111 1.00 0.00 N ATOM 1261 CA GLY A 80 11.567 6.659 6.080 1.00 0.00 C ATOM 1262 C GLY A 80 12.048 5.423 5.318 1.00 0.00 C ATOM 1263 O GLY A 80 13.237 5.288 5.035 1.00 0.00 O ATOM 0 H GLY A 80 9.640 6.530 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.109 7.363 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.419 7.166 6.533 1.00 0.00 H new ATOM 1267 N SER A 81 11.099 4.552 5.007 1.00 0.00 N ATOM 1268 CA SER A 81 11.411 3.332 4.283 1.00 0.00 C ATOM 1269 C SER A 81 10.966 3.460 2.825 1.00 0.00 C ATOM 1270 O SER A 81 10.168 4.335 2.490 1.00 0.00 O ATOM 1271 CB SER A 81 10.745 2.119 4.936 1.00 0.00 C ATOM 1272 OG SER A 81 10.959 2.086 6.344 1.00 0.00 O ATOM 0 H SER A 81 10.114 4.667 5.243 1.00 0.00 H new ATOM 0 HA SER A 81 12.490 3.182 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.674 2.140 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.137 1.206 4.488 1.00 0.00 H new ATOM 0 HG SER A 81 10.456 2.812 6.768 1.00 0.00 H new ATOM 1278 N THR A 82 11.502 2.576 1.996 1.00 0.00 N ATOM 1279 CA THR A 82 11.170 2.580 0.581 1.00 0.00 C ATOM 1280 C THR A 82 10.443 1.288 0.201 1.00 0.00 C ATOM 1281 O THR A 82 10.966 0.194 0.407 1.00 0.00 O ATOM 1282 CB THR A 82 12.462 2.805 -0.207 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.803 4.162 0.065 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.238 2.772 -1.720 1.00 0.00 C ATOM 0 H THR A 82 12.164 1.852 2.277 1.00 0.00 H new ATOM 0 HA THR A 82 10.480 3.388 0.338 1.00 0.00 H new ATOM 0 HB THR A 82 13.192 2.044 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.631 4.392 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.186 2.937 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.835 1.801 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.533 3.555 -2.001 1.00 0.00 H new ATOM 1292 N VAL A 83 9.250 1.459 -0.349 1.00 0.00 N ATOM 1293 CA VAL A 83 8.446 0.320 -0.760 1.00 0.00 C ATOM 1294 C VAL A 83 8.083 0.466 -2.239 1.00 0.00 C ATOM 1295 O VAL A 83 7.708 1.549 -2.686 1.00 0.00 O ATOM 1296 CB VAL A 83 7.220 0.190 0.147 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.418 -1.068 -0.193 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.626 0.201 1.622 1.00 0.00 C ATOM 0 H VAL A 83 8.821 2.368 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 83 9.012 -0.606 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 83 6.579 1.053 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.552 -1.137 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.083 -1.017 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.047 -1.948 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.736 0.107 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.298 -0.634 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.133 1.138 1.853 1.00 0.00 H new ATOM 1308 N HIS A 84 8.206 -0.640 -2.958 1.00 0.00 N ATOM 1309 CA HIS A 84 7.896 -0.649 -4.377 1.00 0.00 C ATOM 1310 C HIS A 84 6.415 -0.978 -4.576 1.00 0.00 C ATOM 1311 O HIS A 84 5.904 -1.935 -3.996 1.00 0.00 O ATOM 1312 CB HIS A 84 8.822 -1.607 -5.130 1.00 0.00 C ATOM 1313 CG HIS A 84 10.222 -1.077 -5.329 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.576 -0.280 -6.404 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.351 -1.237 -4.580 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.862 0.019 -6.297 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.341 -0.575 -5.167 1.00 0.00 N ATOM 0 H HIS A 84 8.516 -1.537 -2.584 1.00 0.00 H new ATOM 0 HA HIS A 84 8.073 0.341 -4.798 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.875 -2.549 -4.584 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.386 -1.827 -6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.427 -1.806 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.431 0.627 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.302 -0.520 -4.828 1.00 0.00 H new ATOM 1325 N VAL A 85 5.767 -0.167 -5.399 1.00 0.00 N ATOM 1326 CA VAL A 85 4.355 -0.360 -5.682 1.00 0.00 C ATOM 1327 C VAL A 85 4.201 -1.067 -7.030 1.00 0.00 C ATOM 1328 O VAL A 85 5.031 -0.899 -7.922 1.00 0.00 O ATOM 1329 CB VAL A 85 3.622 0.982 -5.625 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.985 1.858 -6.826 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.109 0.777 -5.534 1.00 0.00 C ATOM 0 H VAL A 85 6.194 0.625 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 85 3.898 -0.998 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 85 3.945 1.501 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.450 2.805 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.059 2.047 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.705 1.347 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.612 1.746 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.763 0.227 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.872 0.211 -4.633 1.00 0.00 H new ATOM 1341 N VAL A 86 3.133 -1.845 -7.136 1.00 0.00 N ATOM 1342 CA VAL A 86 2.860 -2.579 -8.359 1.00 0.00 C ATOM 1343 C VAL A 86 1.356 -2.559 -8.636 1.00 0.00 C ATOM 1344 O VAL A 86 0.552 -2.473 -7.709 1.00 0.00 O ATOM 1345 CB VAL A 86 3.432 -3.994 -8.259 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.749 -4.933 -9.256 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.948 -3.989 -8.460 1.00 0.00 C ATOM 0 H VAL A 86 2.447 -1.982 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 86 3.352 -2.104 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 86 3.230 -4.367 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.174 -5.933 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.680 -4.972 -9.045 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.906 -4.564 -10.270 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.328 -5.008 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.183 -3.587 -9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.415 -3.369 -7.694 1.00 0.00 H new ATOM 1357 N VAL A 87 1.020 -2.641 -9.915 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.374 -2.634 -10.325 1.00 0.00 C ATOM 1359 C VAL A 87 -0.594 -3.714 -11.386 1.00 0.00 C ATOM 1360 O VAL A 87 -0.837 -3.405 -12.551 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.771 -1.236 -10.804 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.288 -1.125 -10.973 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.246 -0.160 -9.851 1.00 0.00 C ATOM 0 H VAL A 87 1.689 -2.713 -10.681 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.022 -2.870 -9.481 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.312 -1.073 -11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.544 -0.122 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.627 -1.855 -11.708 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.776 -1.319 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.542 0.824 -10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.663 -0.320 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.841 -0.217 -9.802 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.502 -4.960 -10.944 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.689 -6.088 -11.840 1.00 0.00 C ATOM 1375 C ARG A 88 -1.814 -5.795 -12.835 1.00 0.00 C ATOM 1376 O ARG A 88 -2.787 -5.123 -12.496 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.024 -7.361 -11.061 1.00 0.00 C ATOM 1378 CG ARG A 88 0.248 -8.110 -10.661 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.033 -9.105 -9.533 1.00 0.00 C ATOM 1380 NE ARG A 88 0.059 -10.490 -10.045 1.00 0.00 N ATOM 1381 CZ ARG A 88 0.141 -11.576 -9.264 1.00 0.00 C ATOM 1382 NH1 ARG A 88 0.143 -11.444 -7.930 1.00 0.00 N ATOM 1383 NH2 ARG A 88 0.221 -12.794 -9.816 1.00 0.00 N ATOM 0 H ARG A 88 -0.300 -5.213 -9.977 1.00 0.00 H new ATOM 0 HA ARG A 88 0.246 -6.242 -12.379 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.596 -7.106 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.655 -8.008 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.650 -8.639 -11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.008 -7.398 -10.341 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.681 -8.960 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.025 -8.927 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 88 0.060 -10.627 -11.056 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.082 -10.517 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.205 -12.271 -7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.220 -12.895 -10.831 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.283 -13.620 -9.221 1.00 0.00 H new ATOM 1397 N SER A 89 -1.644 -6.314 -14.042 1.00 0.00 N ATOM 1398 CA SER A 89 -2.633 -6.116 -15.088 1.00 0.00 C ATOM 1399 C SER A 89 -2.362 -7.071 -16.252 1.00 0.00 C ATOM 1400 O SER A 89 -1.214 -7.254 -16.655 1.00 0.00 O ATOM 1401 CB SER A 89 -2.635 -4.667 -15.578 1.00 0.00 C ATOM 1402 OG SER A 89 -3.935 -4.087 -15.527 1.00 0.00 O ATOM 0 H SER A 89 -0.836 -6.871 -14.319 1.00 0.00 H new ATOM 0 HA SER A 89 -3.618 -6.331 -14.673 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.951 -4.077 -14.968 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.262 -4.630 -16.601 1.00 0.00 H new ATOM 0 HG SER A 89 -3.893 -3.161 -15.846 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.437 -7.654 -16.760 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.329 -8.585 -17.871 1.00 0.00 C ATOM 1410 C HIS A 90 -4.287 -8.166 -18.987 1.00 0.00 C ATOM 1411 O HIS A 90 -5.410 -8.663 -19.066 1.00 0.00 O ATOM 1412 CB HIS A 90 -3.561 -10.022 -17.399 1.00 0.00 C ATOM 1413 CG HIS A 90 -3.348 -11.063 -18.473 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -4.149 -12.184 -18.599 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -2.419 -11.139 -19.468 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -3.711 -12.897 -19.626 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -2.639 -12.248 -20.163 1.00 0.00 N ATOM 0 H HIS A 90 -4.387 -7.500 -16.423 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.318 -8.556 -18.278 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.891 -10.232 -16.565 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.579 -10.109 -17.020 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.637 -10.419 -19.658 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -4.130 -13.829 -19.976 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -2.096 -12.563 -20.967 1.00 0.00 H new ATOM 1425 N SER A 91 -3.809 -7.256 -19.823 1.00 0.00 N ATOM 1426 CA SER A 91 -4.609 -6.764 -20.932 1.00 0.00 C ATOM 1427 C SER A 91 -4.293 -7.561 -22.199 1.00 0.00 C ATOM 1428 O SER A 91 -3.340 -7.249 -22.912 1.00 0.00 O ATOM 1429 CB SER A 91 -4.364 -5.273 -21.168 1.00 0.00 C ATOM 1430 OG SER A 91 -5.576 -4.523 -21.148 1.00 0.00 O ATOM 0 H SER A 91 -2.877 -6.846 -19.755 1.00 0.00 H new ATOM 0 HA SER A 91 -5.661 -6.896 -20.680 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.689 -4.891 -20.403 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.868 -5.135 -22.129 1.00 0.00 H new ATOM 0 HG SER A 91 -5.377 -3.576 -21.301 1.00 0.00 H new ATOM 1436 N GLY A 92 -5.111 -8.575 -22.441 1.00 0.00 N ATOM 1437 CA GLY A 92 -4.931 -9.419 -23.610 1.00 0.00 C ATOM 1438 C GLY A 92 -4.409 -10.802 -23.213 1.00 0.00 C ATOM 1439 O GLY A 92 -3.235 -10.954 -22.880 1.00 0.00 O ATOM 0 H GLY A 92 -5.900 -8.831 -21.847 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.879 -9.522 -24.138 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.232 -8.947 -24.300 1.00 0.00 H new ATOM 1443 N PRO A 93 -5.331 -11.800 -23.263 1.00 0.00 N ATOM 1444 CA PRO A 93 -4.976 -13.165 -22.913 1.00 0.00 C ATOM 1445 C PRO A 93 -4.155 -13.820 -24.025 1.00 0.00 C ATOM 1446 O PRO A 93 -4.616 -13.930 -25.160 1.00 0.00 O ATOM 1447 CB PRO A 93 -6.302 -13.864 -22.663 1.00 0.00 C ATOM 1448 CG PRO A 93 -7.361 -13.002 -23.330 1.00 0.00 C ATOM 1449 CD PRO A 93 -6.731 -11.657 -23.654 1.00 0.00 C ATOM 0 HA PRO A 93 -4.339 -13.221 -22.030 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.298 -14.871 -23.081 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.496 -13.964 -21.595 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.727 -13.481 -24.238 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.219 -12.873 -22.670 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.824 -11.421 -24.714 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.215 -10.850 -23.104 1.00 0.00 H new ATOM 1457 N SER A 94 -2.952 -14.239 -23.660 1.00 0.00 N ATOM 1458 CA SER A 94 -2.062 -14.881 -24.612 1.00 0.00 C ATOM 1459 C SER A 94 -1.691 -13.899 -25.726 1.00 0.00 C ATOM 1460 O SER A 94 -2.558 -13.443 -26.470 1.00 0.00 O ATOM 1461 CB SER A 94 -2.703 -16.138 -25.204 1.00 0.00 C ATOM 1462 OG SER A 94 -2.736 -17.212 -24.268 1.00 0.00 O ATOM 0 H SER A 94 -2.573 -14.146 -22.718 1.00 0.00 H new ATOM 0 HA SER A 94 -1.157 -15.182 -24.085 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.718 -15.909 -25.529 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.147 -16.446 -26.090 1.00 0.00 H new ATOM 0 HG SER A 94 -3.154 -17.995 -24.683 1.00 0.00 H new ATOM 1468 N SER A 95 -0.402 -13.603 -25.805 1.00 0.00 N ATOM 1469 CA SER A 95 0.093 -12.684 -26.815 1.00 0.00 C ATOM 1470 C SER A 95 -0.495 -11.290 -26.589 1.00 0.00 C ATOM 1471 O SER A 95 -1.468 -10.910 -27.238 1.00 0.00 O ATOM 1472 CB SER A 95 -0.243 -13.179 -28.223 1.00 0.00 C ATOM 1473 OG SER A 95 0.698 -14.143 -28.689 1.00 0.00 O ATOM 0 H SER A 95 0.314 -13.983 -25.186 1.00 0.00 H new ATOM 0 HA SER A 95 1.178 -12.632 -26.726 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.241 -13.617 -28.225 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.265 -12.332 -28.909 1.00 0.00 H new ATOM 0 HG SER A 95 0.448 -14.435 -29.590 1.00 0.00 H new ATOM 1479 N GLY A 96 0.120 -10.566 -25.665 1.00 0.00 N ATOM 1480 CA GLY A 96 -0.331 -9.222 -25.345 1.00 0.00 C ATOM 1481 C GLY A 96 -0.271 -8.315 -26.576 1.00 0.00 C ATOM 1482 O GLY A 96 0.810 -8.037 -27.093 1.00 0.00 O ATOM 0 H GLY A 96 0.927 -10.885 -25.128 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.352 -9.258 -24.965 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.290 -8.806 -24.552 1.00 0.00 H new TER 1486 GLY A 96