USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 961 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 57 LYS NZ :NH3+ -125:sc= 2.5 (180deg=-0.112) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.2 K(o=3.7,f=-11!) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.583 K(o=1.4,f=-3.9!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -166:sc= 0.836 (180deg=0) USER MOD Set 3.1: A 41 GLN : amide:sc= -0.315 K(o=-0.91,f=-2.8) USER MOD Set 3.2: A 53 HIS : no HE2:sc= -0.597 K(o=-0.91,f=-6.2!) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.14 K(o=-2,f=-11!) USER MOD Set 4.2: A 34 GLN : amide:sc= -3.14! K(o=-2!,f=-0.95) USER MOD Set 5.1: A 12 HIS : no HD1:sc= -0.472 X(o=0.21,f=0.66) USER MOD Set 5.2: A 79 THR OG1 : rot 173:sc= 0.687 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.173 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.5) USER MOD Single : A 8 TYR OH : rot 106:sc= 1.04 USER MOD Single : A 9 SER OG : rot -75:sc= 1.27 USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 1.86 (180deg=1.45) USER MOD Single : A 13 MET CE :methyl 179:sc= 0 (180deg=-0.000131) USER MOD Single : A 14 LYS NZ :NH3+ -124:sc= 0.702 (180deg=0.23) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 1.69 (180deg=1.68) USER MOD Single : A 16 MET CE :methyl 174:sc= 0 (180deg=-0.0476) USER MOD Single : A 17 MET CE :methyl -169:sc= 0 (180deg=-0.107) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= 0.787 (180deg=0.644) USER MOD Single : A 24 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.2!) USER MOD Single : A 28 GLN : amide:sc= 0.373 X(o=0.37,f=-0.1) USER MOD Single : A 29 SER OG : rot -41:sc= 0.911 USER MOD Single : A 38 HIS : no HE2:sc= 0.0982 K(o=0.098,f=-0.63) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 1.32 (180deg=-0.393) USER MOD Single : A 44 HIS : no HD1:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 46 THR OG1 : rot -97:sc= 0.00791 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.13) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.62) USER MOD Single : A 70 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.44) USER MOD Single : A 73 LYS NZ :NH3+ -112:sc= 0.658 (180deg=-0.266) USER MOD Single : A 81 ASN : amide:sc= -0.584 K(o=-0.58,f=-3.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0.00887 USER MOD Single : A 86 GLN : amide:sc= 0.18 K(o=0.18,f=-5.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 158:sc= 0.736 USER MOD Single : A 95 GLN : amide:sc= 0.615 K(o=0.62,f=-2.3!) USER MOD Single : A 102 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.03) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 66:sc= 1.34 USER MOD Single : A 111 SER OG : rot -96:sc= 0.7 USER MOD Single : A 112 SER OG : rot 30:sc= 0.703 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.958 40.416 3.771 1.00 0.00 N ATOM 2 CA GLY A 1 6.017 39.586 4.564 1.00 0.00 C ATOM 3 C GLY A 1 6.522 38.176 4.712 1.00 0.00 C ATOM 4 O GLY A 1 7.632 37.903 4.286 1.00 0.00 O ATOM 0 H1 GLY A 1 7.273 41.226 4.343 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.782 39.843 3.499 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.479 40.762 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.879 40.030 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.041 39.576 4.079 1.00 0.00 H new ATOM 10 N SER A 2 5.734 37.282 5.294 1.00 0.00 N ATOM 11 CA SER A 2 6.152 35.885 5.444 1.00 0.00 C ATOM 12 C SER A 2 6.159 35.239 4.053 1.00 0.00 C ATOM 13 O SER A 2 5.218 35.444 3.284 1.00 0.00 O ATOM 14 CB SER A 2 5.177 35.137 6.356 1.00 0.00 C ATOM 15 OG SER A 2 5.589 33.798 6.556 1.00 0.00 O ATOM 0 H SER A 2 4.809 37.491 5.669 1.00 0.00 H new ATOM 0 HA SER A 2 7.145 35.838 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.110 35.647 7.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.180 35.152 5.917 1.00 0.00 H new ATOM 0 HG SER A 2 4.950 33.343 7.143 1.00 0.00 H new ATOM 21 N PRO A 3 7.210 34.473 3.706 1.00 0.00 N ATOM 22 CA PRO A 3 7.197 33.865 2.371 1.00 0.00 C ATOM 23 C PRO A 3 6.268 32.660 2.297 1.00 0.00 C ATOM 24 O PRO A 3 5.833 32.132 3.324 1.00 0.00 O ATOM 25 CB PRO A 3 8.655 33.445 2.181 1.00 0.00 C ATOM 26 CG PRO A 3 9.093 33.086 3.540 1.00 0.00 C ATOM 27 CD PRO A 3 8.440 34.114 4.441 1.00 0.00 C ATOM 0 HA PRO A 3 6.829 34.544 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.743 32.602 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.255 34.256 1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.781 32.075 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.179 33.117 3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.216 33.703 5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.083 34.980 4.597 1.00 0.00 H new ATOM 35 N GLU A 4 5.975 32.210 1.085 1.00 0.00 N ATOM 36 CA GLU A 4 5.078 31.071 0.880 1.00 0.00 C ATOM 37 C GLU A 4 5.564 29.823 1.606 1.00 0.00 C ATOM 38 O GLU A 4 4.764 29.070 2.146 1.00 0.00 O ATOM 39 CB GLU A 4 4.937 30.769 -0.614 1.00 0.00 C ATOM 40 CG GLU A 4 4.124 31.812 -1.361 1.00 0.00 C ATOM 41 CD GLU A 4 2.713 31.928 -0.804 1.00 0.00 C ATOM 42 OE1 GLU A 4 1.976 30.919 -0.831 1.00 0.00 O ATOM 43 OE2 GLU A 4 2.347 33.022 -0.324 1.00 0.00 O ATOM 0 H GLU A 4 6.344 32.614 0.224 1.00 0.00 H new ATOM 0 HA GLU A 4 4.109 31.347 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.929 30.703 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.467 29.794 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.623 32.779 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.078 31.550 -2.418 1.00 0.00 H new ATOM 50 N PHE A 5 6.873 29.619 1.639 1.00 0.00 N ATOM 51 CA PHE A 5 7.450 28.447 2.296 1.00 0.00 C ATOM 52 C PHE A 5 7.008 28.346 3.751 1.00 0.00 C ATOM 53 O PHE A 5 6.733 27.260 4.252 1.00 0.00 O ATOM 54 CB PHE A 5 8.976 28.506 2.225 1.00 0.00 C ATOM 55 CG PHE A 5 9.506 28.597 0.822 1.00 0.00 C ATOM 56 CD1 PHE A 5 9.961 29.826 0.306 1.00 0.00 C ATOM 57 CD2 PHE A 5 9.556 27.453 0.004 1.00 0.00 C ATOM 58 CE1 PHE A 5 10.450 29.918 -1.022 1.00 0.00 C ATOM 59 CE2 PHE A 5 10.042 27.531 -1.324 1.00 0.00 C ATOM 60 CZ PHE A 5 10.491 28.766 -1.836 1.00 0.00 C ATOM 0 H PHE A 5 7.558 30.247 1.220 1.00 0.00 H new ATOM 0 HA PHE A 5 7.091 27.562 1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.326 29.368 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.389 27.619 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.937 30.708 0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.220 26.504 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.790 30.867 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.069 26.647 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.865 28.830 -2.847 1.00 0.00 H new ATOM 70 N ASN A 6 6.926 29.482 4.429 1.00 0.00 N ATOM 71 CA ASN A 6 6.489 29.503 5.818 1.00 0.00 C ATOM 72 C ASN A 6 4.965 29.528 5.874 1.00 0.00 C ATOM 73 O ASN A 6 4.364 28.903 6.745 1.00 0.00 O ATOM 74 CB ASN A 6 7.054 30.725 6.549 1.00 0.00 C ATOM 75 CG ASN A 6 8.552 30.649 6.739 1.00 0.00 C ATOM 76 OD1 ASN A 6 9.308 30.598 5.785 1.00 0.00 O ATOM 77 ND2 ASN A 6 8.985 30.654 7.970 1.00 0.00 N ATOM 0 H ASN A 6 7.155 30.398 4.042 1.00 0.00 H new ATOM 0 HA ASN A 6 6.860 28.605 6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.808 31.626 5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.572 30.816 7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.987 30.614 8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.322 30.698 8.744 1.00 0.00 H new ATOM 84 N ARG A 7 4.341 30.239 4.942 1.00 0.00 N ATOM 85 CA ARG A 7 2.878 30.358 4.898 1.00 0.00 C ATOM 86 C ARG A 7 2.203 28.997 4.834 1.00 0.00 C ATOM 87 O ARG A 7 1.245 28.746 5.565 1.00 0.00 O ATOM 88 CB ARG A 7 2.458 31.176 3.666 1.00 0.00 C ATOM 89 CG ARG A 7 0.950 31.388 3.520 1.00 0.00 C ATOM 90 CD ARG A 7 0.629 31.859 2.113 1.00 0.00 C ATOM 91 NE ARG A 7 -0.818 31.869 1.836 1.00 0.00 N ATOM 92 CZ ARG A 7 -1.617 32.924 1.936 1.00 0.00 C ATOM 93 NH1 ARG A 7 -1.182 34.107 2.295 1.00 0.00 N ATOM 94 NH2 ARG A 7 -2.885 32.784 1.663 1.00 0.00 N ATOM 0 H ARG A 7 4.824 30.746 4.200 1.00 0.00 H new ATOM 0 HA ARG A 7 2.564 30.858 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.945 32.150 3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.829 30.675 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.421 30.459 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.605 32.124 4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.030 32.862 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.129 31.210 1.394 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.242 30.989 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.194 34.243 2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.831 34.891 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.248 31.874 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.513 33.584 1.735 1.00 0.00 H new ATOM 108 N TYR A 8 2.682 28.121 3.964 1.00 0.00 N ATOM 109 CA TYR A 8 2.063 26.808 3.810 1.00 0.00 C ATOM 110 C TYR A 8 2.745 25.716 4.623 1.00 0.00 C ATOM 111 O TYR A 8 2.356 24.558 4.543 1.00 0.00 O ATOM 112 CB TYR A 8 1.976 26.411 2.324 1.00 0.00 C ATOM 113 CG TYR A 8 3.279 26.339 1.537 1.00 0.00 C ATOM 114 CD1 TYR A 8 3.419 27.062 0.332 1.00 0.00 C ATOM 115 CD2 TYR A 8 4.367 25.539 1.963 1.00 0.00 C ATOM 116 CE1 TYR A 8 4.611 26.980 -0.436 1.00 0.00 C ATOM 117 CE2 TYR A 8 5.561 25.467 1.199 1.00 0.00 C ATOM 118 CZ TYR A 8 5.665 26.183 0.007 1.00 0.00 C ATOM 119 OH TYR A 8 6.814 26.093 -0.733 1.00 0.00 O ATOM 0 H TYR A 8 3.486 28.289 3.360 1.00 0.00 H new ATOM 0 HA TYR A 8 1.054 26.901 4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.493 25.436 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.320 27.123 1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.607 27.687 -0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.287 24.976 2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.700 27.533 -1.359 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.386 24.860 1.540 1.00 0.00 H new ATOM 0 HH TYR A 8 7.526 26.603 -0.294 1.00 0.00 H new ATOM 129 N SER A 9 3.751 26.071 5.413 1.00 0.00 N ATOM 130 CA SER A 9 4.534 25.069 6.154 1.00 0.00 C ATOM 131 C SER A 9 3.691 24.121 7.005 1.00 0.00 C ATOM 132 O SER A 9 3.963 22.926 7.059 1.00 0.00 O ATOM 133 CB SER A 9 5.555 25.759 7.063 1.00 0.00 C ATOM 134 OG SER A 9 4.908 26.590 8.014 1.00 0.00 O ATOM 0 H SER A 9 4.048 27.035 5.562 1.00 0.00 H new ATOM 0 HA SER A 9 5.026 24.466 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.154 25.008 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.240 26.355 6.460 1.00 0.00 H new ATOM 0 HG SER A 9 4.589 27.405 7.573 1.00 0.00 H new ATOM 140 N LYS A 10 2.665 24.645 7.659 1.00 0.00 N ATOM 141 CA LYS A 10 1.822 23.825 8.533 1.00 0.00 C ATOM 142 C LYS A 10 1.063 22.719 7.786 1.00 0.00 C ATOM 143 O LYS A 10 0.957 21.601 8.275 1.00 0.00 O ATOM 144 CB LYS A 10 0.882 24.718 9.381 1.00 0.00 C ATOM 145 CG LYS A 10 -0.396 25.293 8.707 1.00 0.00 C ATOM 146 CD LYS A 10 -0.137 26.279 7.552 1.00 0.00 C ATOM 147 CE LYS A 10 -1.455 26.898 7.073 1.00 0.00 C ATOM 148 NZ LYS A 10 -1.352 27.450 5.675 1.00 0.00 N ATOM 0 H LYS A 10 2.393 25.627 7.606 1.00 0.00 H new ATOM 0 HA LYS A 10 2.490 23.297 9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.568 24.139 10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.468 25.558 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.993 24.463 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.994 25.796 9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.543 27.065 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.351 25.761 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.241 26.144 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.749 27.696 7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.145 28.099 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.454 27.964 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.386 26.668 4.990 1.00 0.00 H new ATOM 162 N GLU A 11 0.554 23.018 6.601 1.00 0.00 N ATOM 163 CA GLU A 11 -0.203 22.031 5.835 1.00 0.00 C ATOM 164 C GLU A 11 0.746 21.180 5.011 1.00 0.00 C ATOM 165 O GLU A 11 0.452 20.033 4.713 1.00 0.00 O ATOM 166 CB GLU A 11 -1.209 22.707 4.915 1.00 0.00 C ATOM 167 CG GLU A 11 -2.281 23.504 5.634 1.00 0.00 C ATOM 168 CD GLU A 11 -3.043 22.681 6.655 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.573 21.612 6.302 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.109 23.099 7.832 1.00 0.00 O ATOM 0 H GLU A 11 0.648 23.927 6.149 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.747 21.400 6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.673 23.371 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.690 21.946 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.820 24.356 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.982 23.904 4.901 1.00 0.00 H new ATOM 177 N HIS A 12 1.897 21.735 4.662 1.00 0.00 N ATOM 178 CA HIS A 12 2.928 20.976 3.969 1.00 0.00 C ATOM 179 C HIS A 12 3.330 19.846 4.896 1.00 0.00 C ATOM 180 O HIS A 12 3.317 18.688 4.509 1.00 0.00 O ATOM 181 CB HIS A 12 4.134 21.867 3.652 1.00 0.00 C ATOM 182 CG HIS A 12 5.296 21.136 3.049 1.00 0.00 C ATOM 183 ND1 HIS A 12 6.570 21.641 2.988 1.00 0.00 N ATOM 184 CD2 HIS A 12 5.379 19.899 2.476 1.00 0.00 C ATOM 185 CE1 HIS A 12 7.350 20.736 2.404 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.677 19.657 2.071 1.00 0.00 N ATOM 0 H HIS A 12 2.141 22.708 4.847 1.00 0.00 H new ATOM 0 HA HIS A 12 2.557 20.591 3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.820 22.655 2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.463 22.355 4.570 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.553 19.213 2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.407 20.871 2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.036 18.820 1.612 1.00 0.00 H new ATOM 194 N MET A 13 3.661 20.189 6.134 1.00 0.00 N ATOM 195 CA MET A 13 4.046 19.186 7.115 1.00 0.00 C ATOM 196 C MET A 13 2.903 18.202 7.329 1.00 0.00 C ATOM 197 O MET A 13 3.128 17.006 7.381 1.00 0.00 O ATOM 198 CB MET A 13 4.407 19.850 8.446 1.00 0.00 C ATOM 199 CG MET A 13 4.954 18.875 9.483 1.00 0.00 C ATOM 200 SD MET A 13 5.231 19.675 11.075 1.00 0.00 S ATOM 201 CE MET A 13 3.554 19.691 11.761 1.00 0.00 C ATOM 0 H MET A 13 3.670 21.148 6.480 1.00 0.00 H new ATOM 0 HA MET A 13 4.918 18.652 6.739 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.147 20.629 8.265 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.521 20.340 8.851 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.255 18.048 9.609 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.890 18.449 9.123 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.571 20.141 12.754 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.900 20.272 11.110 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.180 18.670 11.832 1.00 0.00 H new ATOM 211 N LYS A 14 1.680 18.704 7.443 1.00 0.00 N ATOM 212 CA LYS A 14 0.522 17.836 7.675 1.00 0.00 C ATOM 213 C LYS A 14 0.304 16.821 6.552 1.00 0.00 C ATOM 214 O LYS A 14 0.153 15.636 6.822 1.00 0.00 O ATOM 215 CB LYS A 14 -0.736 18.689 7.847 1.00 0.00 C ATOM 216 CG LYS A 14 -1.969 17.908 8.311 1.00 0.00 C ATOM 217 CD LYS A 14 -3.236 18.754 8.191 1.00 0.00 C ATOM 218 CE LYS A 14 -3.235 19.951 9.148 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.424 20.822 8.896 1.00 0.00 N ATOM 0 H LYS A 14 1.460 19.698 7.380 1.00 0.00 H new ATOM 0 HA LYS A 14 0.726 17.270 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.529 19.480 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.964 19.175 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.075 17.002 7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.835 17.593 9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.334 19.112 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.106 18.130 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.246 19.600 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.320 20.528 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.108 21.793 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.954 20.457 8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.038 20.822 9.735 1.00 0.00 H new ATOM 233 N LYS A 15 0.273 17.269 5.303 1.00 0.00 N ATOM 234 CA LYS A 15 0.020 16.354 4.187 1.00 0.00 C ATOM 235 C LYS A 15 1.189 15.400 4.016 1.00 0.00 C ATOM 236 O LYS A 15 0.994 14.198 3.852 1.00 0.00 O ATOM 237 CB LYS A 15 -0.250 17.121 2.883 1.00 0.00 C ATOM 238 CG LYS A 15 -0.870 16.230 1.805 1.00 0.00 C ATOM 239 CD LYS A 15 -1.229 16.994 0.533 1.00 0.00 C ATOM 240 CE LYS A 15 -2.204 16.184 -0.343 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.657 14.883 -0.874 1.00 0.00 N ATOM 0 H LYS A 15 0.417 18.243 5.035 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.874 15.776 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.917 17.958 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.684 17.542 2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.172 15.430 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.768 15.758 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.680 17.951 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.323 17.212 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.101 15.972 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.510 16.803 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.404 14.379 -1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.861 15.077 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.329 14.295 -0.081 1.00 0.00 H new ATOM 255 N MET A 16 2.401 15.936 4.080 1.00 0.00 N ATOM 256 CA MET A 16 3.600 15.119 3.942 1.00 0.00 C ATOM 257 C MET A 16 3.628 14.044 5.017 1.00 0.00 C ATOM 258 O MET A 16 3.944 12.904 4.733 1.00 0.00 O ATOM 259 CB MET A 16 4.858 15.985 4.043 1.00 0.00 C ATOM 260 CG MET A 16 6.150 15.196 3.930 1.00 0.00 C ATOM 261 SD MET A 16 7.619 16.248 3.924 1.00 0.00 S ATOM 262 CE MET A 16 7.676 16.805 5.642 1.00 0.00 C ATOM 0 H MET A 16 2.580 16.930 4.226 1.00 0.00 H new ATOM 0 HA MET A 16 3.580 14.645 2.961 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.833 16.740 3.257 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.848 16.516 4.995 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.215 14.495 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.129 14.604 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.590 17.375 5.810 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.812 17.436 5.849 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.661 15.940 6.306 1.00 0.00 H new ATOM 272 N MET A 17 3.288 14.402 6.247 1.00 0.00 N ATOM 273 CA MET A 17 3.270 13.430 7.334 1.00 0.00 C ATOM 274 C MET A 17 2.193 12.386 7.075 1.00 0.00 C ATOM 275 O MET A 17 2.457 11.203 7.175 1.00 0.00 O ATOM 276 CB MET A 17 3.019 14.130 8.673 1.00 0.00 C ATOM 277 CG MET A 17 3.080 13.212 9.884 1.00 0.00 C ATOM 278 SD MET A 17 2.804 14.130 11.425 1.00 0.00 S ATOM 279 CE MET A 17 4.361 15.042 11.608 1.00 0.00 C ATOM 0 H MET A 17 3.023 15.349 6.517 1.00 0.00 H new ATOM 0 HA MET A 17 4.240 12.936 7.381 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.755 14.924 8.797 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.039 14.606 8.642 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.329 12.428 9.786 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.052 12.720 9.921 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.406 15.489 12.601 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.200 14.359 11.479 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.413 15.828 10.854 1.00 0.00 H new ATOM 289 N LYS A 18 0.991 12.827 6.726 1.00 0.00 N ATOM 290 CA LYS A 18 -0.123 11.910 6.471 1.00 0.00 C ATOM 291 C LYS A 18 0.184 10.953 5.325 1.00 0.00 C ATOM 292 O LYS A 18 -0.054 9.757 5.428 1.00 0.00 O ATOM 293 CB LYS A 18 -1.391 12.718 6.145 1.00 0.00 C ATOM 294 CG LYS A 18 -2.678 11.878 6.032 1.00 0.00 C ATOM 295 CD LYS A 18 -3.463 12.189 4.742 1.00 0.00 C ATOM 296 CE LYS A 18 -2.792 11.549 3.528 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.446 11.868 2.211 1.00 0.00 N ATOM 0 H LYS A 18 0.758 13.814 6.612 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.280 11.314 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.533 13.473 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.236 13.249 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.422 10.819 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.313 12.070 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.484 11.820 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.526 13.268 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.752 11.874 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.783 10.467 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.823 11.570 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.352 11.362 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.615 12.892 2.147 1.00 0.00 H new ATOM 311 N ASP A 19 0.701 11.470 4.223 1.00 0.00 N ATOM 312 CA ASP A 19 0.969 10.613 3.067 1.00 0.00 C ATOM 313 C ASP A 19 2.205 9.738 3.281 1.00 0.00 C ATOM 314 O ASP A 19 2.255 8.615 2.798 1.00 0.00 O ATOM 315 CB ASP A 19 1.085 11.454 1.794 1.00 0.00 C ATOM 316 CG ASP A 19 -0.281 11.841 1.235 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.085 10.925 0.975 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.576 13.048 1.065 1.00 0.00 O ATOM 0 H ASP A 19 0.941 12.454 4.099 1.00 0.00 H new ATOM 0 HA ASP A 19 0.124 9.934 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.658 12.357 2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.640 10.895 1.040 1.00 0.00 H new ATOM 323 N LEU A 20 3.199 10.211 4.019 1.00 0.00 N ATOM 324 CA LEU A 20 4.375 9.376 4.278 1.00 0.00 C ATOM 325 C LEU A 20 4.063 8.315 5.335 1.00 0.00 C ATOM 326 O LEU A 20 4.611 7.216 5.300 1.00 0.00 O ATOM 327 CB LEU A 20 5.581 10.220 4.694 1.00 0.00 C ATOM 328 CG LEU A 20 6.930 9.479 4.673 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.224 8.857 3.288 1.00 0.00 C ATOM 330 CD2 LEU A 20 8.045 10.450 5.050 1.00 0.00 C ATOM 0 H LEU A 20 3.222 11.140 4.440 1.00 0.00 H new ATOM 0 HA LEU A 20 4.633 8.870 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.647 11.083 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.409 10.602 5.700 1.00 0.00 H new ATOM 0 HG LEU A 20 6.879 8.665 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.185 8.344 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.439 8.144 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.255 9.644 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.002 9.928 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.069 11.272 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.861 10.845 6.049 1.00 0.00 H new ATOM 342 N GLU A 21 3.160 8.623 6.254 1.00 0.00 N ATOM 343 CA GLU A 21 2.680 7.624 7.210 1.00 0.00 C ATOM 344 C GLU A 21 1.964 6.570 6.378 1.00 0.00 C ATOM 345 O GLU A 21 2.071 5.374 6.634 1.00 0.00 O ATOM 346 CB GLU A 21 1.719 8.248 8.228 1.00 0.00 C ATOM 347 CG GLU A 21 1.227 7.272 9.291 1.00 0.00 C ATOM 348 CD GLU A 21 0.261 7.917 10.280 1.00 0.00 C ATOM 349 OE1 GLU A 21 -0.162 7.218 11.226 1.00 0.00 O ATOM 350 OE2 GLU A 21 -0.083 9.109 10.111 1.00 0.00 O ATOM 0 H GLU A 21 2.745 9.548 6.362 1.00 0.00 H new ATOM 0 HA GLU A 21 3.504 7.199 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.218 9.084 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.859 8.657 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.735 6.430 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.083 6.871 9.834 1.00 0.00 H new ATOM 357 N GLY A 22 1.261 7.032 5.350 1.00 0.00 N ATOM 358 CA GLY A 22 0.613 6.134 4.416 1.00 0.00 C ATOM 359 C GLY A 22 1.631 5.267 3.702 1.00 0.00 C ATOM 360 O GLY A 22 1.398 4.094 3.506 1.00 0.00 O ATOM 0 H GLY A 22 1.128 8.023 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.099 5.503 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.045 6.711 3.686 1.00 0.00 H new ATOM 364 N LEU A 23 2.774 5.823 3.325 1.00 0.00 N ATOM 365 CA LEU A 23 3.829 5.038 2.669 1.00 0.00 C ATOM 366 C LEU A 23 4.368 3.970 3.631 1.00 0.00 C ATOM 367 O LEU A 23 4.607 2.822 3.250 1.00 0.00 O ATOM 368 CB LEU A 23 4.953 5.967 2.206 1.00 0.00 C ATOM 369 CG LEU A 23 5.721 5.550 0.941 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.554 6.718 0.432 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.643 4.354 1.184 1.00 0.00 C ATOM 0 H LEU A 23 3.001 6.809 3.458 1.00 0.00 H new ATOM 0 HA LEU A 23 3.413 4.534 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.527 6.956 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.670 6.066 3.021 1.00 0.00 H new ATOM 0 HG LEU A 23 4.977 5.256 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.095 6.415 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.899 7.556 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.265 7.020 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.161 4.100 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.374 4.608 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.052 3.500 1.514 1.00 0.00 H new ATOM 383 N HIS A 24 4.536 4.327 4.895 1.00 0.00 N ATOM 384 CA HIS A 24 4.969 3.341 5.884 1.00 0.00 C ATOM 385 C HIS A 24 3.885 2.275 6.023 1.00 0.00 C ATOM 386 O HIS A 24 4.170 1.096 6.221 1.00 0.00 O ATOM 387 CB HIS A 24 5.255 3.986 7.238 1.00 0.00 C ATOM 388 CG HIS A 24 5.707 3.004 8.272 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.739 2.084 8.060 1.00 0.00 N ATOM 390 CD2 HIS A 24 5.267 2.742 9.531 1.00 0.00 C ATOM 391 CE1 HIS A 24 6.882 1.343 9.148 1.00 0.00 C ATOM 392 NE2 HIS A 24 6.008 1.721 10.044 1.00 0.00 N ATOM 0 H HIS A 24 4.385 5.268 5.258 1.00 0.00 H new ATOM 0 HA HIS A 24 5.899 2.888 5.541 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.020 4.752 7.114 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.355 4.489 7.592 1.00 0.00 H new ATOM 0 HD1 HIS A 24 7.291 1.998 7.207 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.465 3.257 10.039 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.606 0.552 9.275 1.00 0.00 H new ATOM 400 N ARG A 25 2.633 2.682 5.886 1.00 0.00 N ATOM 401 CA ARG A 25 1.522 1.738 5.891 1.00 0.00 C ATOM 402 C ARG A 25 1.507 0.911 4.610 1.00 0.00 C ATOM 403 O ARG A 25 0.945 -0.157 4.610 1.00 0.00 O ATOM 404 CB ARG A 25 0.181 2.457 6.047 1.00 0.00 C ATOM 405 CG ARG A 25 -0.248 2.642 7.503 1.00 0.00 C ATOM 406 CD ARG A 25 -1.769 2.494 7.661 1.00 0.00 C ATOM 407 NE ARG A 25 -2.217 1.168 7.190 1.00 0.00 N ATOM 408 CZ ARG A 25 -2.144 0.035 7.881 1.00 0.00 C ATOM 409 NH1 ARG A 25 -1.697 -0.007 9.109 1.00 0.00 N ATOM 410 NH2 ARG A 25 -2.506 -1.077 7.308 1.00 0.00 N ATOM 0 H ARG A 25 2.359 3.658 5.770 1.00 0.00 H new ATOM 0 HA ARG A 25 1.665 1.076 6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.244 3.434 5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.588 1.893 5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.258 1.907 8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.062 3.627 7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.045 2.626 8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.276 3.276 7.096 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.617 1.117 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.389 0.850 9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.656 -0.896 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.839 -1.069 6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.457 -1.956 7.823 1.00 0.00 H new ATOM 424 N ALA A 26 2.135 1.383 3.543 1.00 0.00 N ATOM 425 CA ALA A 26 2.260 0.602 2.313 1.00 0.00 C ATOM 426 C ALA A 26 3.345 -0.469 2.503 1.00 0.00 C ATOM 427 O ALA A 26 3.258 -1.544 1.934 1.00 0.00 O ATOM 428 CB ALA A 26 2.580 1.504 1.112 1.00 0.00 C ATOM 0 H ALA A 26 2.568 2.305 3.501 1.00 0.00 H new ATOM 0 HA ALA A 26 1.308 0.115 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.667 0.895 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.780 2.233 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.521 2.026 1.289 1.00 0.00 H new ATOM 434 N GLU A 27 4.353 -0.201 3.325 1.00 0.00 N ATOM 435 CA GLU A 27 5.333 -1.257 3.668 1.00 0.00 C ATOM 436 C GLU A 27 4.576 -2.315 4.504 1.00 0.00 C ATOM 437 O GLU A 27 4.649 -3.578 4.310 1.00 0.00 O ATOM 438 CB GLU A 27 6.499 -0.682 4.480 1.00 0.00 C ATOM 439 CG GLU A 27 7.296 0.393 3.746 1.00 0.00 C ATOM 440 CD GLU A 27 8.379 1.006 4.625 1.00 0.00 C ATOM 441 OE1 GLU A 27 9.566 0.933 4.256 1.00 0.00 O ATOM 442 OE2 GLU A 27 8.035 1.575 5.693 1.00 0.00 O ATOM 0 H GLU A 27 4.522 0.705 3.761 1.00 0.00 H new ATOM 0 HA GLU A 27 5.755 -1.693 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.110 -0.262 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.172 -1.494 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.754 -0.040 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.619 1.177 3.406 1.00 0.00 H new ATOM 449 N GLN A 28 3.800 -1.782 5.435 1.00 0.00 N ATOM 450 CA GLN A 28 2.965 -2.630 6.241 1.00 0.00 C ATOM 451 C GLN A 28 2.000 -3.344 5.318 1.00 0.00 C ATOM 452 O GLN A 28 1.634 -4.426 5.611 1.00 0.00 O ATOM 453 CB GLN A 28 2.208 -1.876 7.335 1.00 0.00 C ATOM 454 CG GLN A 28 1.799 -2.825 8.461 1.00 0.00 C ATOM 455 CD GLN A 28 0.789 -2.247 9.416 1.00 0.00 C ATOM 456 OE1 GLN A 28 0.954 -1.149 9.938 1.00 0.00 O ATOM 457 NE2 GLN A 28 -0.259 -2.987 9.661 1.00 0.00 N ATOM 0 H GLN A 28 3.737 -0.785 5.642 1.00 0.00 H new ATOM 0 HA GLN A 28 3.604 -3.339 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.835 -1.079 7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.322 -1.403 6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.390 -3.736 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.689 -3.112 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.360 -3.895 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.977 -2.657 10.307 1.00 0.00 H new ATOM 466 N SER A 29 1.603 -2.759 4.195 1.00 0.00 N ATOM 467 CA SER A 29 0.711 -3.454 3.268 1.00 0.00 C ATOM 468 C SER A 29 1.426 -4.604 2.567 1.00 0.00 C ATOM 469 O SER A 29 0.792 -5.586 2.285 1.00 0.00 O ATOM 470 CB SER A 29 0.059 -2.516 2.246 1.00 0.00 C ATOM 471 OG SER A 29 0.901 -2.271 1.141 1.00 0.00 O ATOM 0 H SER A 29 1.877 -1.821 3.905 1.00 0.00 H new ATOM 0 HA SER A 29 -0.095 -3.865 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.877 -2.953 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.190 -1.571 2.729 1.00 0.00 H new ATOM 0 HG SER A 29 1.823 -2.153 1.452 1.00 0.00 H new ATOM 477 N LEU A 30 2.738 -4.517 2.324 1.00 0.00 N ATOM 478 CA LEU A 30 3.496 -5.671 1.791 1.00 0.00 C ATOM 479 C LEU A 30 3.212 -6.741 2.850 1.00 0.00 C ATOM 480 O LEU A 30 2.709 -7.859 2.570 1.00 0.00 O ATOM 481 CB LEU A 30 5.033 -5.430 1.748 1.00 0.00 C ATOM 482 CG LEU A 30 5.641 -4.099 1.268 1.00 0.00 C ATOM 483 CD1 LEU A 30 7.065 -3.983 1.842 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.710 -3.931 -0.229 1.00 0.00 C ATOM 0 H LEU A 30 3.296 -3.678 2.482 1.00 0.00 H new ATOM 0 HA LEU A 30 3.206 -5.907 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.405 -5.598 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.456 -6.213 1.118 1.00 0.00 H new ATOM 0 HG LEU A 30 4.974 -3.314 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.514 -3.046 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.021 -4.002 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.669 -4.819 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.152 -2.964 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.322 -4.725 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.705 -3.983 -0.648 1.00 0.00 H new ATOM 496 N HIS A 31 3.530 -6.391 4.092 1.00 0.00 N ATOM 497 CA HIS A 31 3.420 -7.398 5.152 1.00 0.00 C ATOM 498 C HIS A 31 1.991 -7.846 5.534 1.00 0.00 C ATOM 499 O HIS A 31 1.775 -9.011 5.859 1.00 0.00 O ATOM 500 CB HIS A 31 4.242 -6.959 6.345 1.00 0.00 C ATOM 501 CG HIS A 31 5.697 -6.810 6.018 1.00 0.00 C ATOM 502 ND1 HIS A 31 6.351 -7.531 5.039 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.645 -5.984 6.539 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.618 -7.136 5.013 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.857 -6.198 5.907 1.00 0.00 N ATOM 0 H HIS A 31 3.851 -5.468 4.385 1.00 0.00 H new ATOM 0 HA HIS A 31 3.830 -8.317 4.734 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.858 -6.009 6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.126 -7.686 7.149 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.933 -8.243 4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.476 -5.267 7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.363 -7.535 4.340 1.00 0.00 H new ATOM 513 N ASP A 32 1.023 -6.950 5.464 1.00 0.00 N ATOM 514 CA ASP A 32 -0.376 -7.262 5.748 1.00 0.00 C ATOM 515 C ASP A 32 -0.872 -8.171 4.638 1.00 0.00 C ATOM 516 O ASP A 32 -1.673 -9.070 4.876 1.00 0.00 O ATOM 517 CB ASP A 32 -1.262 -5.995 5.757 1.00 0.00 C ATOM 518 CG ASP A 32 -1.048 -5.102 6.991 1.00 0.00 C ATOM 519 OD1 ASP A 32 -0.490 -5.559 8.009 1.00 0.00 O ATOM 520 OD2 ASP A 32 -1.467 -3.918 6.936 1.00 0.00 O ATOM 0 H ASP A 32 1.182 -5.976 5.207 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.438 -7.727 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.058 -5.413 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.309 -6.294 5.713 1.00 0.00 H new ATOM 525 N LEU A 33 -0.390 -7.944 3.420 1.00 0.00 N ATOM 526 CA LEU A 33 -0.788 -8.774 2.287 1.00 0.00 C ATOM 527 C LEU A 33 -0.252 -10.168 2.507 1.00 0.00 C ATOM 528 O LEU A 33 -1.027 -11.114 2.416 1.00 0.00 O ATOM 529 CB LEU A 33 -0.288 -8.220 0.941 1.00 0.00 C ATOM 530 CG LEU A 33 -1.210 -7.268 0.141 1.00 0.00 C ATOM 531 CD1 LEU A 33 -2.106 -6.356 1.015 1.00 0.00 C ATOM 532 CD2 LEU A 33 -0.355 -6.399 -0.789 1.00 0.00 C ATOM 0 H LEU A 33 0.270 -7.200 3.193 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.877 -8.780 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.648 -7.694 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.054 -9.070 0.300 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.890 -7.908 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.718 -5.723 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.753 -6.972 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.479 -5.730 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.001 -5.727 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.348 -5.814 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.197 -7.038 -1.479 1.00 0.00 H new ATOM 544 N GLN A 34 1.034 -10.342 2.815 1.00 0.00 N ATOM 545 CA GLN A 34 1.485 -11.737 3.047 1.00 0.00 C ATOM 546 C GLN A 34 0.850 -12.363 4.299 1.00 0.00 C ATOM 547 O GLN A 34 0.568 -13.562 4.305 1.00 0.00 O ATOM 548 CB GLN A 34 3.010 -11.941 3.098 1.00 0.00 C ATOM 549 CG GLN A 34 3.837 -10.814 3.695 1.00 0.00 C ATOM 550 CD GLN A 34 4.605 -9.988 2.667 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.557 -9.282 3.025 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.207 -10.052 1.415 1.00 0.00 N ATOM 0 H GLN A 34 1.739 -9.611 2.907 1.00 0.00 H new ATOM 0 HA GLN A 34 1.132 -12.253 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.212 -12.848 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.362 -12.118 2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.177 -10.152 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.546 -11.237 4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.418 -10.646 1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.687 -9.508 0.699 1.00 0.00 H new ATOM 561 N GLU A 35 0.606 -11.594 5.352 1.00 0.00 N ATOM 562 CA GLU A 35 -0.015 -12.169 6.551 1.00 0.00 C ATOM 563 C GLU A 35 -1.461 -12.598 6.267 1.00 0.00 C ATOM 564 O GLU A 35 -1.880 -13.710 6.627 1.00 0.00 O ATOM 565 CB GLU A 35 0.016 -11.183 7.726 1.00 0.00 C ATOM 566 CG GLU A 35 -0.445 -11.827 9.030 1.00 0.00 C ATOM 567 CD GLU A 35 -0.491 -10.860 10.203 1.00 0.00 C ATOM 568 OE1 GLU A 35 -1.602 -10.669 10.759 1.00 0.00 O ATOM 569 OE2 GLU A 35 0.556 -10.310 10.583 1.00 0.00 O ATOM 0 H GLU A 35 0.819 -10.598 5.408 1.00 0.00 H new ATOM 0 HA GLU A 35 0.566 -13.049 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.029 -10.800 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.622 -10.329 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.437 -12.255 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.225 -12.651 9.275 1.00 0.00 H new ATOM 576 N ARG A 36 -2.233 -11.737 5.613 1.00 0.00 N ATOM 577 CA ARG A 36 -3.616 -12.083 5.281 1.00 0.00 C ATOM 578 C ARG A 36 -3.603 -13.235 4.298 1.00 0.00 C ATOM 579 O ARG A 36 -4.461 -14.092 4.361 1.00 0.00 O ATOM 580 CB ARG A 36 -4.391 -10.888 4.705 1.00 0.00 C ATOM 581 CG ARG A 36 -5.872 -11.216 4.444 1.00 0.00 C ATOM 582 CD ARG A 36 -6.687 -10.008 4.001 1.00 0.00 C ATOM 583 NE ARG A 36 -8.017 -10.434 3.528 1.00 0.00 N ATOM 584 CZ ARG A 36 -8.883 -9.672 2.868 1.00 0.00 C ATOM 585 NH1 ARG A 36 -8.642 -8.418 2.575 1.00 0.00 N ATOM 586 NH2 ARG A 36 -10.014 -10.191 2.487 1.00 0.00 N ATOM 0 H ARG A 36 -1.935 -10.811 5.306 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.131 -12.374 6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.325 -10.049 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.923 -10.571 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.936 -11.990 3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.311 -11.629 5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.795 -9.310 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.163 -9.479 3.205 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.296 -11.395 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.760 -7.989 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.336 -7.871 2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.223 -11.167 2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.691 -9.622 1.979 1.00 0.00 H new ATOM 600 N LEU A 37 -2.628 -13.274 3.404 1.00 0.00 N ATOM 601 CA LEU A 37 -2.490 -14.391 2.473 1.00 0.00 C ATOM 602 C LEU A 37 -2.224 -15.689 3.230 1.00 0.00 C ATOM 603 O LEU A 37 -2.841 -16.733 2.945 1.00 0.00 O ATOM 604 CB LEU A 37 -1.334 -14.122 1.506 1.00 0.00 C ATOM 605 CG LEU A 37 -0.955 -15.273 0.576 1.00 0.00 C ATOM 606 CD1 LEU A 37 -2.101 -15.644 -0.342 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.283 -14.886 -0.223 1.00 0.00 C ATOM 0 H LEU A 37 -1.919 -12.548 3.300 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.420 -14.491 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.592 -13.257 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.455 -13.849 2.090 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.733 -16.154 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.797 -16.466 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.960 -15.951 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.372 -14.782 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.557 -15.705 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.071 -13.994 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.108 -14.682 0.460 1.00 0.00 H new ATOM 619 N HIS A 38 -1.319 -15.633 4.200 1.00 0.00 N ATOM 620 CA HIS A 38 -1.002 -16.810 4.999 1.00 0.00 C ATOM 621 C HIS A 38 -2.277 -17.298 5.651 1.00 0.00 C ATOM 622 O HIS A 38 -2.592 -18.469 5.563 1.00 0.00 O ATOM 623 CB HIS A 38 0.054 -16.508 6.066 1.00 0.00 C ATOM 624 CG HIS A 38 0.621 -17.739 6.709 1.00 0.00 C ATOM 625 ND1 HIS A 38 -0.014 -18.486 7.677 1.00 0.00 N ATOM 626 CD2 HIS A 38 1.809 -18.370 6.505 1.00 0.00 C ATOM 627 CE1 HIS A 38 0.780 -19.500 8.005 1.00 0.00 C ATOM 628 NE2 HIS A 38 1.905 -19.482 7.316 1.00 0.00 N ATOM 0 H HIS A 38 -0.796 -14.794 4.451 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.585 -17.578 4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.865 -15.938 5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.389 -15.876 6.836 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -0.934 -18.294 8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.568 -18.047 5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.534 -20.247 8.745 1.00 0.00 H new ATOM 636 N LYS A 39 -3.025 -16.398 6.278 1.00 0.00 N ATOM 637 CA LYS A 39 -4.290 -16.774 6.921 1.00 0.00 C ATOM 638 C LYS A 39 -5.321 -17.272 5.909 1.00 0.00 C ATOM 639 O LYS A 39 -6.055 -18.210 6.178 1.00 0.00 O ATOM 640 CB LYS A 39 -4.858 -15.581 7.687 1.00 0.00 C ATOM 641 CG LYS A 39 -4.005 -15.184 8.881 1.00 0.00 C ATOM 642 CD LYS A 39 -4.491 -13.887 9.492 1.00 0.00 C ATOM 643 CE LYS A 39 -3.569 -13.460 10.621 1.00 0.00 C ATOM 644 NZ LYS A 39 -3.926 -12.101 11.136 1.00 0.00 N ATOM 0 H LYS A 39 -2.785 -15.410 6.358 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.077 -17.592 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.946 -14.730 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.864 -15.822 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.032 -15.975 9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.966 -15.076 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.528 -13.109 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.506 -14.012 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.627 -14.185 11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.538 -13.457 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.075 -11.504 11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.636 -11.669 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.315 -12.185 12.097 1.00 0.00 H new ATOM 658 N ALA A 40 -5.367 -16.655 4.739 1.00 0.00 N ATOM 659 CA ALA A 40 -6.298 -17.060 3.691 1.00 0.00 C ATOM 660 C ALA A 40 -5.975 -18.484 3.250 1.00 0.00 C ATOM 661 O ALA A 40 -6.871 -19.282 2.999 1.00 0.00 O ATOM 662 CB ALA A 40 -6.226 -16.092 2.504 1.00 0.00 C ATOM 0 H ALA A 40 -4.769 -15.868 4.488 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.315 -17.032 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.927 -16.410 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.485 -15.087 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.215 -16.090 2.097 1.00 0.00 H new ATOM 668 N GLN A 41 -4.701 -18.830 3.172 1.00 0.00 N ATOM 669 CA GLN A 41 -4.372 -20.219 2.872 1.00 0.00 C ATOM 670 C GLN A 41 -4.755 -21.084 4.080 1.00 0.00 C ATOM 671 O GLN A 41 -5.566 -22.000 3.978 1.00 0.00 O ATOM 672 CB GLN A 41 -2.876 -20.377 2.595 1.00 0.00 C ATOM 673 CG GLN A 41 -2.401 -19.698 1.329 1.00 0.00 C ATOM 674 CD GLN A 41 -0.899 -19.740 1.213 1.00 0.00 C ATOM 675 OE1 GLN A 41 -0.317 -20.752 0.851 1.00 0.00 O ATOM 676 NE2 GLN A 41 -0.260 -18.650 1.526 1.00 0.00 N ATOM 0 H GLN A 41 -3.907 -18.203 3.305 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.922 -20.531 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.318 -19.975 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.640 -21.439 2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.848 -20.186 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.739 -18.662 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.778 -17.823 1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.758 -18.623 1.473 1.00 0.00 H new ATOM 685 N GLU A 42 -4.154 -20.763 5.216 1.00 0.00 N ATOM 686 CA GLU A 42 -4.256 -21.539 6.451 1.00 0.00 C ATOM 687 C GLU A 42 -5.680 -21.906 6.852 1.00 0.00 C ATOM 688 O GLU A 42 -5.934 -23.034 7.270 1.00 0.00 O ATOM 689 CB GLU A 42 -3.563 -20.742 7.558 1.00 0.00 C ATOM 690 CG GLU A 42 -3.246 -21.499 8.824 1.00 0.00 C ATOM 691 CD GLU A 42 -2.273 -20.716 9.705 1.00 0.00 C ATOM 692 OE1 GLU A 42 -1.615 -21.339 10.566 1.00 0.00 O ATOM 693 OE2 GLU A 42 -2.149 -19.477 9.522 1.00 0.00 O ATOM 0 H GLU A 42 -3.566 -19.935 5.311 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.769 -22.499 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.633 -20.338 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.195 -19.892 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.166 -21.692 9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.815 -22.468 8.573 1.00 0.00 H new ATOM 700 N GLU A 43 -6.598 -20.968 6.710 1.00 0.00 N ATOM 701 CA GLU A 43 -7.993 -21.217 7.038 1.00 0.00 C ATOM 702 C GLU A 43 -8.831 -21.618 5.815 1.00 0.00 C ATOM 703 O GLU A 43 -9.631 -22.545 5.883 1.00 0.00 O ATOM 704 CB GLU A 43 -8.586 -19.936 7.646 1.00 0.00 C ATOM 705 CG GLU A 43 -9.879 -20.136 8.436 1.00 0.00 C ATOM 706 CD GLU A 43 -9.621 -20.527 9.890 1.00 0.00 C ATOM 707 OE1 GLU A 43 -9.027 -19.711 10.631 1.00 0.00 O ATOM 708 OE2 GLU A 43 -10.019 -21.642 10.293 1.00 0.00 O ATOM 0 H GLU A 43 -6.405 -20.026 6.370 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.024 -22.050 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.842 -19.485 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.775 -19.224 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.464 -19.217 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.478 -20.909 7.956 1.00 0.00 H new ATOM 715 N HIS A 44 -8.686 -20.896 4.708 1.00 0.00 N ATOM 716 CA HIS A 44 -9.629 -21.059 3.581 1.00 0.00 C ATOM 717 C HIS A 44 -9.151 -21.904 2.409 1.00 0.00 C ATOM 718 O HIS A 44 -9.931 -22.668 1.827 1.00 0.00 O ATOM 719 CB HIS A 44 -10.064 -19.680 3.091 1.00 0.00 C ATOM 720 CG HIS A 44 -10.541 -18.785 4.191 1.00 0.00 C ATOM 721 ND1 HIS A 44 -11.634 -19.039 4.980 1.00 0.00 N ATOM 722 CD2 HIS A 44 -10.040 -17.607 4.653 1.00 0.00 C ATOM 723 CE1 HIS A 44 -11.758 -18.042 5.850 1.00 0.00 C ATOM 724 NE2 HIS A 44 -10.814 -17.136 5.691 1.00 0.00 N ATOM 0 H HIS A 44 -7.949 -20.207 4.558 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.461 -21.631 3.991 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.227 -19.203 2.581 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.861 -19.798 2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.163 -17.113 4.262 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.537 -17.982 6.596 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.685 -16.274 6.221 1.00 0.00 H new ATOM 732 N ARG A 45 -7.869 -21.769 2.084 1.00 0.00 N ATOM 733 CA ARG A 45 -7.202 -22.600 1.067 1.00 0.00 C ATOM 734 C ARG A 45 -7.971 -22.791 -0.250 1.00 0.00 C ATOM 735 O ARG A 45 -8.222 -23.916 -0.680 1.00 0.00 O ATOM 736 CB ARG A 45 -6.901 -23.955 1.717 1.00 0.00 C ATOM 737 CG ARG A 45 -5.538 -24.523 1.363 1.00 0.00 C ATOM 738 CD ARG A 45 -5.268 -25.790 2.169 1.00 0.00 C ATOM 739 NE ARG A 45 -5.318 -25.531 3.621 1.00 0.00 N ATOM 740 CZ ARG A 45 -4.300 -25.129 4.373 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.101 -24.916 3.887 1.00 0.00 N ATOM 742 NH2 ARG A 45 -4.490 -24.942 5.645 1.00 0.00 N ATOM 0 H ARG A 45 -7.254 -21.079 2.516 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.300 -22.071 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.969 -23.850 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.669 -24.668 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.495 -24.746 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.764 -23.783 1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.004 -26.551 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.289 -26.189 1.903 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.213 -25.673 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.921 -25.059 2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.349 -24.607 4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.411 -25.104 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.718 -24.633 6.236 1.00 0.00 H new ATOM 756 N THR A 46 -8.336 -21.693 -0.893 1.00 0.00 N ATOM 757 CA THR A 46 -9.105 -21.766 -2.137 1.00 0.00 C ATOM 758 C THR A 46 -8.355 -22.472 -3.265 1.00 0.00 C ATOM 759 O THR A 46 -7.138 -22.675 -3.207 1.00 0.00 O ATOM 760 CB THR A 46 -9.525 -20.368 -2.629 1.00 0.00 C ATOM 761 OG1 THR A 46 -8.369 -19.545 -2.794 1.00 0.00 O ATOM 762 CG2 THR A 46 -10.444 -19.717 -1.638 1.00 0.00 C ATOM 0 H THR A 46 -8.117 -20.746 -0.582 1.00 0.00 H new ATOM 0 HA THR A 46 -9.988 -22.354 -1.889 1.00 0.00 H new ATOM 0 HB THR A 46 -10.042 -20.481 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.246 -18.989 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.731 -18.730 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.336 -20.331 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.934 -19.617 -0.680 1.00 0.00 H new ATOM 770 N VAL A 47 -9.097 -22.830 -4.306 1.00 0.00 N ATOM 771 CA VAL A 47 -8.553 -23.535 -5.476 1.00 0.00 C ATOM 772 C VAL A 47 -7.483 -22.734 -6.217 1.00 0.00 C ATOM 773 O VAL A 47 -6.815 -23.245 -7.108 1.00 0.00 O ATOM 774 CB VAL A 47 -9.686 -23.896 -6.484 1.00 0.00 C ATOM 775 CG1 VAL A 47 -10.691 -24.850 -5.835 1.00 0.00 C ATOM 776 CG2 VAL A 47 -10.420 -22.628 -6.981 1.00 0.00 C ATOM 0 H VAL A 47 -10.098 -22.642 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.088 -24.439 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.223 -24.385 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.476 -25.093 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.181 -25.764 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.133 -24.373 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.204 -22.913 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.864 -22.108 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.710 -21.968 -7.479 1.00 0.00 H new ATOM 786 N GLU A 48 -7.303 -21.480 -5.834 1.00 0.00 N ATOM 787 CA GLU A 48 -6.280 -20.632 -6.425 1.00 0.00 C ATOM 788 C GLU A 48 -4.887 -21.031 -5.954 1.00 0.00 C ATOM 789 O GLU A 48 -3.911 -20.448 -6.399 1.00 0.00 O ATOM 790 CB GLU A 48 -6.514 -19.173 -6.043 1.00 0.00 C ATOM 791 CG GLU A 48 -7.808 -18.608 -6.565 1.00 0.00 C ATOM 792 CD GLU A 48 -7.808 -17.097 -6.503 1.00 0.00 C ATOM 793 OE1 GLU A 48 -7.704 -16.539 -5.389 1.00 0.00 O ATOM 794 OE2 GLU A 48 -7.894 -16.465 -7.576 1.00 0.00 O ATOM 0 H GLU A 48 -7.858 -21.024 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.344 -20.756 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.502 -19.085 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.687 -18.571 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.961 -18.933 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.641 -18.999 -5.980 1.00 0.00 H new ATOM 801 N VAL A 49 -4.805 -22.017 -5.064 1.00 0.00 N ATOM 802 CA VAL A 49 -3.537 -22.484 -4.477 1.00 0.00 C ATOM 803 C VAL A 49 -2.392 -22.677 -5.493 1.00 0.00 C ATOM 804 O VAL A 49 -1.232 -22.461 -5.164 1.00 0.00 O ATOM 805 CB VAL A 49 -3.788 -23.780 -3.624 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.162 -24.982 -4.510 1.00 0.00 C ATOM 807 CG2 VAL A 49 -2.573 -24.110 -2.743 1.00 0.00 C ATOM 0 H VAL A 49 -5.621 -22.524 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.185 -21.683 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.636 -23.575 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.328 -25.858 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.072 -24.756 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.351 -25.184 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.777 -25.011 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.700 -24.274 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.380 -23.280 -2.064 1.00 0.00 H new ATOM 817 N GLU A 50 -2.718 -23.037 -6.727 1.00 0.00 N ATOM 818 CA GLU A 50 -1.720 -23.194 -7.795 1.00 0.00 C ATOM 819 C GLU A 50 -0.917 -21.906 -8.080 1.00 0.00 C ATOM 820 O GLU A 50 0.208 -21.962 -8.584 1.00 0.00 O ATOM 821 CB GLU A 50 -2.430 -23.621 -9.088 1.00 0.00 C ATOM 822 CG GLU A 50 -3.753 -22.882 -9.332 1.00 0.00 C ATOM 823 CD GLU A 50 -4.245 -23.009 -10.764 1.00 0.00 C ATOM 824 OE1 GLU A 50 -4.038 -24.064 -11.390 1.00 0.00 O ATOM 825 OE2 GLU A 50 -4.842 -22.024 -11.266 1.00 0.00 O ATOM 0 H GLU A 50 -3.675 -23.229 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.012 -23.949 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.764 -23.447 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.623 -24.693 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.513 -23.274 -8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.624 -21.827 -9.089 1.00 0.00 H new ATOM 832 N LYS A 51 -1.497 -20.753 -7.768 1.00 0.00 N ATOM 833 CA LYS A 51 -0.858 -19.452 -8.009 1.00 0.00 C ATOM 834 C LYS A 51 -1.035 -18.493 -6.835 1.00 0.00 C ATOM 835 O LYS A 51 -0.667 -17.330 -6.927 1.00 0.00 O ATOM 836 CB LYS A 51 -1.460 -18.815 -9.272 1.00 0.00 C ATOM 837 CG LYS A 51 -2.934 -18.401 -9.112 1.00 0.00 C ATOM 838 CD LYS A 51 -3.795 -18.935 -10.240 1.00 0.00 C ATOM 839 CE LYS A 51 -5.274 -18.840 -9.873 1.00 0.00 C ATOM 840 NZ LYS A 51 -6.127 -19.558 -10.877 1.00 0.00 N ATOM 0 H LYS A 51 -2.421 -20.687 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 51 0.210 -19.630 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.872 -17.937 -9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.377 -19.520 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.314 -18.770 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.005 -17.314 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.603 -18.369 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.531 -19.972 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.434 -19.267 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.572 -17.793 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.115 -19.565 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.068 -19.071 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.790 -20.536 -10.982 1.00 0.00 H new ATOM 854 N VAL A 52 -1.608 -18.979 -5.741 1.00 0.00 N ATOM 855 CA VAL A 52 -1.919 -18.136 -4.581 1.00 0.00 C ATOM 856 C VAL A 52 -0.671 -17.644 -3.851 1.00 0.00 C ATOM 857 O VAL A 52 -0.748 -16.753 -3.021 1.00 0.00 O ATOM 858 CB VAL A 52 -2.870 -18.892 -3.579 1.00 0.00 C ATOM 859 CG1 VAL A 52 -2.088 -19.663 -2.493 1.00 0.00 C ATOM 860 CG2 VAL A 52 -3.869 -17.938 -2.949 1.00 0.00 C ATOM 0 H VAL A 52 -1.870 -19.958 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.430 -17.255 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.418 -19.631 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.790 -20.167 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.442 -20.402 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.480 -18.965 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.513 -18.487 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.335 -17.160 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.478 -17.481 -3.729 1.00 0.00 H new ATOM 870 N HIS A 53 0.481 -18.228 -4.146 1.00 0.00 N ATOM 871 CA HIS A 53 1.708 -17.862 -3.445 1.00 0.00 C ATOM 872 C HIS A 53 2.969 -17.906 -4.342 1.00 0.00 C ATOM 873 O HIS A 53 2.977 -17.353 -5.458 1.00 0.00 O ATOM 874 CB HIS A 53 1.829 -18.741 -2.177 1.00 0.00 C ATOM 875 CG HIS A 53 1.686 -20.215 -2.432 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.212 -21.115 -1.511 1.00 0.00 N ATOM 877 CD2 HIS A 53 1.957 -20.962 -3.538 1.00 0.00 C ATOM 878 CE1 HIS A 53 1.228 -22.323 -2.061 1.00 0.00 C ATOM 879 NE2 HIS A 53 1.682 -22.289 -3.296 1.00 0.00 N ATOM 0 H HIS A 53 0.594 -18.950 -4.858 1.00 0.00 H new ATOM 0 HA HIS A 53 1.644 -16.815 -3.148 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.797 -18.557 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.068 -18.432 -1.461 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.901 -20.894 -0.565 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.334 -20.570 -4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.908 -23.223 -1.557 1.00 0.00 H new ATOM 887 N LEU A 54 4.022 -18.543 -3.831 1.00 0.00 N ATOM 888 CA LEU A 54 5.341 -18.624 -4.472 1.00 0.00 C ATOM 889 C LEU A 54 5.965 -17.238 -4.609 1.00 0.00 C ATOM 890 O LEU A 54 5.323 -16.199 -4.395 1.00 0.00 O ATOM 891 CB LEU A 54 5.298 -19.314 -5.857 1.00 0.00 C ATOM 892 CG LEU A 54 4.716 -20.733 -5.949 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.716 -21.185 -7.407 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.506 -21.731 -5.096 1.00 0.00 C ATOM 0 H LEU A 54 3.984 -19.031 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 54 5.957 -19.241 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.724 -18.676 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.317 -19.347 -6.243 1.00 0.00 H new ATOM 0 HG LEU A 54 3.697 -20.706 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.304 -22.192 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.107 -20.502 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.737 -21.184 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.061 -22.722 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.540 -21.764 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.479 -21.419 -4.052 1.00 0.00 H new ATOM 906 N GLU A 55 7.230 -17.236 -4.992 1.00 0.00 N ATOM 907 CA GLU A 55 7.963 -15.999 -5.212 1.00 0.00 C ATOM 908 C GLU A 55 7.233 -15.164 -6.247 1.00 0.00 C ATOM 909 O GLU A 55 7.269 -13.953 -6.197 1.00 0.00 O ATOM 910 CB GLU A 55 9.367 -16.310 -5.725 1.00 0.00 C ATOM 911 CG GLU A 55 10.216 -17.114 -4.757 1.00 0.00 C ATOM 912 CD GLU A 55 11.540 -17.509 -5.381 1.00 0.00 C ATOM 913 OE1 GLU A 55 12.597 -17.068 -4.890 1.00 0.00 O ATOM 914 OE2 GLU A 55 11.513 -18.263 -6.379 1.00 0.00 O ATOM 0 H GLU A 55 7.775 -18.082 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 55 8.034 -15.453 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.286 -16.859 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.877 -15.373 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.397 -16.528 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.674 -18.009 -4.452 1.00 0.00 H new ATOM 921 N LYS A 56 6.557 -15.823 -7.181 1.00 0.00 N ATOM 922 CA LYS A 56 5.831 -15.123 -8.237 1.00 0.00 C ATOM 923 C LYS A 56 4.749 -14.193 -7.687 1.00 0.00 C ATOM 924 O LYS A 56 4.802 -12.982 -7.922 1.00 0.00 O ATOM 925 CB LYS A 56 5.171 -16.148 -9.171 1.00 0.00 C ATOM 926 CG LYS A 56 4.491 -15.529 -10.403 1.00 0.00 C ATOM 927 CD LYS A 56 3.418 -16.456 -10.994 1.00 0.00 C ATOM 928 CE LYS A 56 4.000 -17.765 -11.542 1.00 0.00 C ATOM 929 NZ LYS A 56 2.918 -18.622 -12.153 1.00 0.00 N ATOM 0 H LYS A 56 6.496 -16.840 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 56 6.556 -14.513 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.927 -16.858 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.430 -16.714 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.036 -14.578 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.243 -15.314 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.680 -16.686 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.894 -15.934 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.761 -17.544 -12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.493 -18.313 -10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.336 -19.502 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.206 -18.850 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.465 -18.105 -12.934 1.00 0.00 H new ATOM 943 N LYS A 57 3.777 -14.722 -6.951 1.00 0.00 N ATOM 944 CA LYS A 57 2.690 -13.857 -6.505 1.00 0.00 C ATOM 945 C LYS A 57 3.131 -13.062 -5.289 1.00 0.00 C ATOM 946 O LYS A 57 2.642 -11.966 -5.080 1.00 0.00 O ATOM 947 CB LYS A 57 1.380 -14.645 -6.336 1.00 0.00 C ATOM 948 CG LYS A 57 0.676 -14.565 -4.997 1.00 0.00 C ATOM 949 CD LYS A 57 -0.273 -13.376 -4.869 1.00 0.00 C ATOM 950 CE LYS A 57 -0.943 -13.437 -3.518 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.836 -12.267 -3.250 1.00 0.00 N ATOM 0 H LYS A 57 3.717 -15.698 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 57 2.457 -13.119 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.683 -14.305 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.591 -15.694 -6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.114 -15.485 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.424 -14.507 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.276 -12.441 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.020 -13.401 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.527 -14.355 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.179 -13.488 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.553 -11.811 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.756 -11.583 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.821 -12.592 -3.175 1.00 0.00 H new ATOM 965 N LEU A 58 4.085 -13.567 -4.512 1.00 0.00 N ATOM 966 CA LEU A 58 4.618 -12.763 -3.406 1.00 0.00 C ATOM 967 C LEU A 58 5.195 -11.467 -3.996 1.00 0.00 C ATOM 968 O LEU A 58 4.884 -10.354 -3.553 1.00 0.00 O ATOM 969 CB LEU A 58 5.712 -13.534 -2.658 1.00 0.00 C ATOM 970 CG LEU A 58 6.306 -12.840 -1.424 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.293 -12.777 -0.290 1.00 0.00 C ATOM 972 CD2 LEU A 58 7.550 -13.600 -0.967 1.00 0.00 C ATOM 0 H LEU A 58 4.496 -14.495 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 58 3.824 -12.536 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.302 -14.495 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.522 -13.744 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 58 6.574 -11.819 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.741 -12.281 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.416 -12.217 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.995 -13.788 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.974 -13.110 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.278 -14.625 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.287 -13.609 -1.770 1.00 0.00 H new ATOM 984 N ARG A 59 6.021 -11.626 -5.023 1.00 0.00 N ATOM 985 CA ARG A 59 6.623 -10.493 -5.723 1.00 0.00 C ATOM 986 C ARG A 59 5.534 -9.603 -6.272 1.00 0.00 C ATOM 987 O ARG A 59 5.613 -8.397 -6.148 1.00 0.00 O ATOM 988 CB ARG A 59 7.491 -11.003 -6.880 1.00 0.00 C ATOM 989 CG ARG A 59 8.059 -9.935 -7.811 1.00 0.00 C ATOM 990 CD ARG A 59 8.403 -10.553 -9.164 1.00 0.00 C ATOM 991 NE ARG A 59 7.185 -10.918 -9.916 1.00 0.00 N ATOM 992 CZ ARG A 59 7.150 -11.635 -11.032 1.00 0.00 C ATOM 993 NH1 ARG A 59 8.236 -12.099 -11.603 1.00 0.00 N ATOM 994 NH2 ARG A 59 5.999 -11.888 -11.581 1.00 0.00 N ATOM 0 H ARG A 59 6.292 -12.537 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 59 7.242 -9.928 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.322 -11.571 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.897 -11.697 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.334 -9.132 -7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.950 -9.490 -7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.995 -9.848 -9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.019 -11.440 -9.014 1.00 0.00 H new ATOM 0 HE ARG A 59 6.293 -10.590 -9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.149 -11.912 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.167 -12.646 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.142 -11.537 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.953 -12.438 -12.439 1.00 0.00 H new ATOM 1008 N ASP A 60 4.527 -10.190 -6.894 1.00 0.00 N ATOM 1009 CA ASP A 60 3.475 -9.389 -7.515 1.00 0.00 C ATOM 1010 C ASP A 60 2.627 -8.599 -6.508 1.00 0.00 C ATOM 1011 O ASP A 60 2.301 -7.439 -6.765 1.00 0.00 O ATOM 1012 CB ASP A 60 2.601 -10.271 -8.411 1.00 0.00 C ATOM 1013 CG ASP A 60 3.372 -10.806 -9.618 1.00 0.00 C ATOM 1014 OD1 ASP A 60 2.988 -11.848 -10.192 1.00 0.00 O ATOM 1015 OD2 ASP A 60 4.391 -10.176 -9.994 1.00 0.00 O ATOM 0 H ASP A 60 4.411 -11.199 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 60 3.972 -8.636 -8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.214 -11.107 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.741 -9.697 -8.756 1.00 0.00 H new ATOM 1020 N GLU A 61 2.280 -9.179 -5.366 1.00 0.00 N ATOM 1021 CA GLU A 61 1.481 -8.447 -4.375 1.00 0.00 C ATOM 1022 C GLU A 61 2.331 -7.326 -3.752 1.00 0.00 C ATOM 1023 O GLU A 61 1.877 -6.170 -3.634 1.00 0.00 O ATOM 1024 CB GLU A 61 0.865 -9.389 -3.307 1.00 0.00 C ATOM 1025 CG GLU A 61 1.844 -9.966 -2.273 1.00 0.00 C ATOM 1026 CD GLU A 61 1.198 -10.912 -1.277 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.899 -11.300 -0.308 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.009 -11.277 -1.454 1.00 0.00 O ATOM 0 H GLU A 61 2.529 -10.132 -5.101 1.00 0.00 H new ATOM 0 HA GLU A 61 0.632 -7.989 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.086 -8.843 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.379 -10.219 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.641 -10.494 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.310 -9.144 -1.729 1.00 0.00 H new ATOM 1035 N ILE A 62 3.572 -7.619 -3.375 1.00 0.00 N ATOM 1036 CA ILE A 62 4.398 -6.563 -2.817 1.00 0.00 C ATOM 1037 C ILE A 62 4.784 -5.540 -3.886 1.00 0.00 C ATOM 1038 O ILE A 62 5.121 -4.421 -3.558 1.00 0.00 O ATOM 1039 CB ILE A 62 5.625 -7.097 -2.040 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.718 -7.642 -2.969 1.00 0.00 C ATOM 1041 CG2 ILE A 62 5.168 -8.138 -1.000 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.974 -8.032 -2.208 1.00 0.00 C ATOM 0 H ILE A 62 4.010 -8.538 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 62 3.789 -6.048 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 62 6.085 -6.261 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.336 -8.510 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.967 -6.888 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.034 -8.512 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.472 -7.673 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.673 -8.966 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.719 -8.412 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.373 -7.159 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.732 -8.805 -1.479 1.00 0.00 H new ATOM 1054 N ASN A 63 4.712 -5.895 -5.162 1.00 0.00 N ATOM 1055 CA ASN A 63 4.973 -4.918 -6.223 1.00 0.00 C ATOM 1056 C ASN A 63 3.758 -4.021 -6.378 1.00 0.00 C ATOM 1057 O ASN A 63 3.894 -2.847 -6.689 1.00 0.00 O ATOM 1058 CB ASN A 63 5.286 -5.583 -7.566 1.00 0.00 C ATOM 1059 CG ASN A 63 6.728 -6.020 -7.683 1.00 0.00 C ATOM 1060 OD1 ASN A 63 7.548 -5.807 -6.788 1.00 0.00 O ATOM 1061 ND2 ASN A 63 7.052 -6.622 -8.793 1.00 0.00 N ATOM 0 H ASN A 63 4.480 -6.833 -5.489 1.00 0.00 H new ATOM 0 HA ASN A 63 5.850 -4.340 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.637 -6.449 -7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.056 -4.887 -8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.012 -6.934 -8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.346 -6.781 -9.512 1.00 0.00 H new ATOM 1068 N LEU A 64 2.573 -4.562 -6.138 1.00 0.00 N ATOM 1069 CA LEU A 64 1.355 -3.757 -6.156 1.00 0.00 C ATOM 1070 C LEU A 64 1.454 -2.787 -4.981 1.00 0.00 C ATOM 1071 O LEU A 64 1.190 -1.592 -5.123 1.00 0.00 O ATOM 1072 CB LEU A 64 0.119 -4.664 -6.050 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.293 -4.050 -6.038 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.672 -3.519 -4.664 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -1.480 -2.960 -7.095 1.00 0.00 C ATOM 0 H LEU A 64 2.426 -5.550 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 64 1.251 -3.202 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.160 -5.365 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.225 -5.249 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.967 -4.869 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.675 -3.095 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.649 -4.334 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.963 -2.747 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.495 -2.566 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.768 -2.154 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.311 -3.381 -8.086 1.00 0.00 H new ATOM 1087 N ALA A 65 1.867 -3.288 -3.826 1.00 0.00 N ATOM 1088 CA ALA A 65 2.070 -2.407 -2.672 1.00 0.00 C ATOM 1089 C ALA A 65 3.171 -1.346 -2.950 1.00 0.00 C ATOM 1090 O ALA A 65 3.086 -0.205 -2.501 1.00 0.00 O ATOM 1091 CB ALA A 65 2.407 -3.238 -1.462 1.00 0.00 C ATOM 0 H ALA A 65 2.066 -4.274 -3.658 1.00 0.00 H new ATOM 0 HA ALA A 65 1.146 -1.860 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.558 -2.585 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.588 -3.927 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.319 -3.805 -1.652 1.00 0.00 H new ATOM 1097 N LYS A 66 4.199 -1.707 -3.710 1.00 0.00 N ATOM 1098 CA LYS A 66 5.233 -0.730 -4.097 1.00 0.00 C ATOM 1099 C LYS A 66 4.665 0.310 -5.052 1.00 0.00 C ATOM 1100 O LYS A 66 5.127 1.447 -5.066 1.00 0.00 O ATOM 1101 CB LYS A 66 6.428 -1.407 -4.760 1.00 0.00 C ATOM 1102 CG LYS A 66 7.334 -2.134 -3.781 1.00 0.00 C ATOM 1103 CD LYS A 66 8.222 -3.120 -4.517 1.00 0.00 C ATOM 1104 CE LYS A 66 8.615 -4.272 -3.617 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.238 -5.364 -4.431 1.00 0.00 N ATOM 0 H LYS A 66 4.346 -2.650 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 66 5.567 -0.245 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.066 -2.117 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.011 -0.656 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.949 -1.414 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.732 -2.660 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.699 -3.501 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.117 -2.612 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.316 -3.928 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.738 -4.652 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.288 -6.234 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.662 -5.537 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.197 -5.081 -4.716 1.00 0.00 H new ATOM 1119 N GLN A 67 3.664 -0.060 -5.841 1.00 0.00 N ATOM 1120 CA GLN A 67 3.014 0.904 -6.723 1.00 0.00 C ATOM 1121 C GLN A 67 2.310 1.897 -5.808 1.00 0.00 C ATOM 1122 O GLN A 67 2.525 3.097 -5.929 1.00 0.00 O ATOM 1123 CB GLN A 67 2.028 0.225 -7.683 1.00 0.00 C ATOM 1124 CG GLN A 67 1.536 1.136 -8.806 1.00 0.00 C ATOM 1125 CD GLN A 67 2.638 1.510 -9.781 1.00 0.00 C ATOM 1126 OE1 GLN A 67 3.491 0.700 -10.115 1.00 0.00 O ATOM 1127 NE2 GLN A 67 2.619 2.732 -10.246 1.00 0.00 N ATOM 0 H GLN A 67 3.288 -1.007 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 67 3.742 1.402 -7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.507 -0.651 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.169 -0.132 -7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.732 0.638 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.115 2.044 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.892 3.381 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.331 3.036 -10.910 1.00 0.00 H new ATOM 1136 N GLU A 68 1.506 1.395 -4.873 1.00 0.00 N ATOM 1137 CA GLU A 68 0.901 2.245 -3.841 1.00 0.00 C ATOM 1138 C GLU A 68 1.962 3.128 -3.147 1.00 0.00 C ATOM 1139 O GLU A 68 1.769 4.330 -2.977 1.00 0.00 O ATOM 1140 CB GLU A 68 0.197 1.355 -2.807 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.747 2.093 -1.898 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.350 1.190 -0.833 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.163 1.478 0.370 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -2.020 0.200 -1.200 1.00 0.00 O ATOM 0 H GLU A 68 1.257 0.408 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 68 0.178 2.909 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.356 0.576 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.952 0.856 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.216 2.914 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.547 2.535 -2.491 1.00 0.00 H new ATOM 1151 N ALA A 69 3.089 2.541 -2.764 1.00 0.00 N ATOM 1152 CA ALA A 69 4.165 3.302 -2.116 1.00 0.00 C ATOM 1153 C ALA A 69 4.700 4.466 -2.984 1.00 0.00 C ATOM 1154 O ALA A 69 4.944 5.568 -2.478 1.00 0.00 O ATOM 1155 CB ALA A 69 5.307 2.356 -1.734 1.00 0.00 C ATOM 0 H ALA A 69 3.287 1.548 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 69 3.739 3.758 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.104 2.923 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.936 1.597 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.695 1.873 -2.631 1.00 0.00 H new ATOM 1161 N GLN A 70 4.876 4.244 -4.281 1.00 0.00 N ATOM 1162 CA GLN A 70 5.346 5.309 -5.175 1.00 0.00 C ATOM 1163 C GLN A 70 4.322 6.434 -5.201 1.00 0.00 C ATOM 1164 O GLN A 70 4.679 7.622 -5.183 1.00 0.00 O ATOM 1165 CB GLN A 70 5.576 4.783 -6.597 1.00 0.00 C ATOM 1166 CG GLN A 70 6.091 5.859 -7.584 1.00 0.00 C ATOM 1167 CD GLN A 70 4.965 6.553 -8.349 1.00 0.00 C ATOM 1168 OE1 GLN A 70 4.145 5.899 -8.967 1.00 0.00 O ATOM 1169 NE2 GLN A 70 4.934 7.868 -8.316 1.00 0.00 N ATOM 0 H GLN A 70 4.704 3.349 -4.739 1.00 0.00 H new ATOM 0 HA GLN A 70 6.298 5.681 -4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.294 3.964 -6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.641 4.371 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.663 6.606 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.774 5.395 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.639 8.382 -7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.205 8.374 -8.819 1.00 0.00 H new ATOM 1178 N ARG A 71 3.049 6.070 -5.226 1.00 0.00 N ATOM 1179 CA ARG A 71 1.995 7.073 -5.214 1.00 0.00 C ATOM 1180 C ARG A 71 2.077 7.876 -3.926 1.00 0.00 C ATOM 1181 O ARG A 71 1.875 9.074 -3.941 1.00 0.00 O ATOM 1182 CB ARG A 71 0.614 6.430 -5.311 1.00 0.00 C ATOM 1183 CG ARG A 71 0.368 5.586 -6.551 1.00 0.00 C ATOM 1184 CD ARG A 71 -1.123 5.499 -6.812 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.499 4.458 -7.782 1.00 0.00 N ATOM 1186 CZ ARG A 71 -1.543 4.611 -9.100 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -1.194 5.717 -9.702 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -1.972 3.621 -9.831 1.00 0.00 N ATOM 0 H ARG A 71 2.724 5.104 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 71 2.136 7.722 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.462 5.804 -4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.138 7.219 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.874 6.026 -7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.783 4.588 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.636 5.306 -5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.475 6.464 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.747 3.541 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.869 6.515 -9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.247 5.783 -10.719 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.266 2.750 -9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.014 3.717 -10.846 1.00 0.00 H new ATOM 1202 N LEU A 72 2.390 7.233 -2.808 1.00 0.00 N ATOM 1203 CA LEU A 72 2.449 7.930 -1.532 1.00 0.00 C ATOM 1204 C LEU A 72 3.705 8.783 -1.450 1.00 0.00 C ATOM 1205 O LEU A 72 3.720 9.799 -0.764 1.00 0.00 O ATOM 1206 CB LEU A 72 2.332 6.926 -0.392 1.00 0.00 C ATOM 1207 CG LEU A 72 0.888 6.395 -0.319 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.843 4.991 0.220 1.00 0.00 C ATOM 1209 CD2 LEU A 72 0.001 7.314 0.528 1.00 0.00 C ATOM 0 H LEU A 72 2.605 6.237 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 72 1.607 8.616 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.027 6.101 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.605 7.398 0.552 1.00 0.00 H new ATOM 0 HG LEU A 72 0.500 6.382 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.191 4.649 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.420 4.333 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.268 4.973 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.012 6.913 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.401 7.373 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.017 8.310 0.086 1.00 0.00 H new ATOM 1221 N LYS A 73 4.746 8.411 -2.184 1.00 0.00 N ATOM 1222 CA LYS A 73 5.921 9.283 -2.315 1.00 0.00 C ATOM 1223 C LYS A 73 5.475 10.517 -3.096 1.00 0.00 C ATOM 1224 O LYS A 73 5.754 11.651 -2.703 1.00 0.00 O ATOM 1225 CB LYS A 73 7.060 8.566 -3.063 1.00 0.00 C ATOM 1226 CG LYS A 73 8.182 9.492 -3.580 1.00 0.00 C ATOM 1227 CD LYS A 73 8.809 8.923 -4.857 1.00 0.00 C ATOM 1228 CE LYS A 73 9.446 10.019 -5.723 1.00 0.00 C ATOM 1229 NZ LYS A 73 8.430 10.988 -6.304 1.00 0.00 N ATOM 0 H LYS A 73 4.808 7.529 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 73 6.303 9.555 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.500 7.822 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.636 8.026 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.778 10.485 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.948 9.607 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.566 8.185 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.045 8.402 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.167 10.575 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.001 9.553 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.383 10.864 -7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.495 10.800 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.716 11.964 -6.085 1.00 0.00 H new ATOM 1243 N GLU A 74 4.786 10.293 -4.204 1.00 0.00 N ATOM 1244 CA GLU A 74 4.345 11.397 -5.058 1.00 0.00 C ATOM 1245 C GLU A 74 3.451 12.359 -4.269 1.00 0.00 C ATOM 1246 O GLU A 74 3.586 13.580 -4.358 1.00 0.00 O ATOM 1247 CB GLU A 74 3.591 10.837 -6.270 1.00 0.00 C ATOM 1248 CG GLU A 74 3.553 11.770 -7.467 1.00 0.00 C ATOM 1249 CD GLU A 74 4.881 11.834 -8.223 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.995 12.725 -9.108 1.00 0.00 O ATOM 1251 OE2 GLU A 74 5.804 11.011 -7.960 1.00 0.00 O ATOM 0 H GLU A 74 4.519 9.366 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 74 5.217 11.951 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.056 9.898 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.568 10.605 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.769 11.443 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.285 12.772 -7.131 1.00 0.00 H new ATOM 1258 N LEU A 75 2.548 11.792 -3.484 1.00 0.00 N ATOM 1259 CA LEU A 75 1.634 12.567 -2.654 1.00 0.00 C ATOM 1260 C LEU A 75 2.337 13.322 -1.526 1.00 0.00 C ATOM 1261 O LEU A 75 2.025 14.489 -1.274 1.00 0.00 O ATOM 1262 CB LEU A 75 0.597 11.629 -2.042 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.493 11.111 -2.987 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.053 9.788 -2.481 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.602 12.138 -3.084 1.00 0.00 C ATOM 0 H LEU A 75 2.427 10.782 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 75 1.170 13.310 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.119 10.771 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.114 12.147 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.060 10.947 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.826 9.435 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.252 9.051 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.483 9.930 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.379 11.772 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.028 12.308 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.199 13.074 -3.471 1.00 0.00 H new ATOM 1277 N ARG A 76 3.280 12.680 -0.839 1.00 0.00 N ATOM 1278 CA ARG A 76 3.974 13.336 0.283 1.00 0.00 C ATOM 1279 C ARG A 76 4.919 14.417 -0.205 1.00 0.00 C ATOM 1280 O ARG A 76 5.364 15.255 0.577 1.00 0.00 O ATOM 1281 CB ARG A 76 4.714 12.326 1.183 1.00 0.00 C ATOM 1282 CG ARG A 76 6.010 11.736 0.615 1.00 0.00 C ATOM 1283 CD ARG A 76 7.233 12.139 1.433 1.00 0.00 C ATOM 1284 NE ARG A 76 7.607 13.543 1.205 1.00 0.00 N ATOM 1285 CZ ARG A 76 8.677 13.968 0.546 1.00 0.00 C ATOM 1286 NH1 ARG A 76 9.546 13.150 0.002 1.00 0.00 N ATOM 1287 NH2 ARG A 76 8.863 15.251 0.429 1.00 0.00 N ATOM 0 H ARG A 76 3.582 11.724 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 76 3.203 13.808 0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.946 12.816 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.033 11.505 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.933 10.649 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.138 12.069 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.028 11.985 2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.072 11.493 1.174 1.00 0.00 H new ATOM 0 HE ARG A 76 6.986 14.256 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.413 12.141 0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.355 13.522 -0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.194 15.903 0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.678 15.605 -0.073 1.00 0.00 H new ATOM 1301 N GLU A 77 5.222 14.413 -1.494 1.00 0.00 N ATOM 1302 CA GLU A 77 6.035 15.476 -2.079 1.00 0.00 C ATOM 1303 C GLU A 77 5.146 16.690 -2.389 1.00 0.00 C ATOM 1304 O GLU A 77 5.639 17.756 -2.772 1.00 0.00 O ATOM 1305 CB GLU A 77 6.777 14.960 -3.312 1.00 0.00 C ATOM 1306 CG GLU A 77 7.980 14.108 -2.903 1.00 0.00 C ATOM 1307 CD GLU A 77 8.677 13.419 -4.058 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.281 13.599 -5.225 1.00 0.00 O ATOM 1309 OE2 GLU A 77 9.641 12.667 -3.785 1.00 0.00 O ATOM 0 H GLU A 77 4.922 13.694 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 77 6.796 15.798 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.100 14.369 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.111 15.801 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.700 14.742 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.650 13.352 -2.190 1.00 0.00 H new ATOM 1316 N GLY A 78 3.842 16.539 -2.189 1.00 0.00 N ATOM 1317 CA GLY A 78 2.927 17.659 -2.333 1.00 0.00 C ATOM 1318 C GLY A 78 3.017 18.545 -1.100 1.00 0.00 C ATOM 1319 O GLY A 78 3.269 18.066 0.004 1.00 0.00 O ATOM 0 H GLY A 78 3.399 15.658 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.175 18.233 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.907 17.296 -2.460 1.00 0.00 H new ATOM 1323 N THR A 79 2.823 19.844 -1.274 1.00 0.00 N ATOM 1324 CA THR A 79 2.943 20.795 -0.164 1.00 0.00 C ATOM 1325 C THR A 79 1.674 21.633 -0.036 1.00 0.00 C ATOM 1326 O THR A 79 1.417 22.505 -0.865 1.00 0.00 O ATOM 1327 CB THR A 79 4.195 21.708 -0.336 1.00 0.00 C ATOM 1328 OG1 THR A 79 4.002 22.925 0.385 1.00 0.00 O ATOM 1329 CG2 THR A 79 4.472 22.051 -1.806 1.00 0.00 C ATOM 0 H THR A 79 2.582 20.269 -2.169 1.00 0.00 H new ATOM 0 HA THR A 79 3.072 20.224 0.756 1.00 0.00 H new ATOM 0 HB THR A 79 5.051 21.154 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.831 23.447 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.354 22.688 -1.871 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.646 21.133 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.613 22.576 -2.225 1.00 0.00 H new ATOM 1337 N GLU A 80 0.889 21.331 1.003 1.00 0.00 N ATOM 1338 CA GLU A 80 -0.427 21.951 1.307 1.00 0.00 C ATOM 1339 C GLU A 80 -1.498 21.454 0.338 1.00 0.00 C ATOM 1340 O GLU A 80 -2.507 20.906 0.759 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.351 23.491 1.354 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.656 24.209 1.678 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.416 25.676 2.031 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.362 26.012 3.245 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.266 26.498 1.098 1.00 0.00 O ATOM 0 H GLU A 80 1.153 20.623 1.688 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.716 21.634 2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.393 23.777 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.009 23.848 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.329 24.145 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.150 23.709 2.511 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.252 21.626 -0.947 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.089 21.096 -2.012 1.00 0.00 C ATOM 1354 C ASN A 81 -1.150 21.190 -3.208 1.00 0.00 C ATOM 1355 O ASN A 81 -0.184 21.945 -3.162 1.00 0.00 O ATOM 1356 CB ASN A 81 -3.381 21.904 -2.207 1.00 0.00 C ATOM 1357 CG ASN A 81 -3.138 23.255 -2.799 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -3.252 23.440 -3.997 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -2.816 24.214 -1.972 1.00 0.00 N ATOM 0 H ASN A 81 -0.447 22.150 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.460 20.089 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.058 21.346 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.881 22.019 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.651 25.157 -2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.730 24.020 -0.974 1.00 0.00 H new ATOM 1366 N GLU A 82 -1.380 20.434 -4.258 1.00 0.00 N ATOM 1367 CA GLU A 82 -0.429 20.380 -5.364 1.00 0.00 C ATOM 1368 C GLU A 82 -0.698 21.423 -6.440 1.00 0.00 C ATOM 1369 O GLU A 82 0.035 21.506 -7.434 1.00 0.00 O ATOM 1370 CB GLU A 82 -0.392 18.977 -5.959 1.00 0.00 C ATOM 1371 CG GLU A 82 -0.358 17.889 -4.898 1.00 0.00 C ATOM 1372 CD GLU A 82 -1.758 17.489 -4.460 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -2.534 16.977 -5.295 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -2.083 17.716 -3.278 1.00 0.00 O ATOM 0 H GLU A 82 -2.208 19.850 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 82 0.550 20.622 -4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.267 18.833 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.485 18.882 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.165 17.016 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.207 18.240 -4.035 1.00 0.00 H new ATOM 1381 N ARG A 83 -1.732 22.233 -6.226 1.00 0.00 N ATOM 1382 CA ARG A 83 -2.073 23.359 -7.111 1.00 0.00 C ATOM 1383 C ARG A 83 -2.176 22.916 -8.576 1.00 0.00 C ATOM 1384 O ARG A 83 -3.094 22.185 -8.941 1.00 0.00 O ATOM 1385 CB ARG A 83 -1.050 24.504 -6.906 1.00 0.00 C ATOM 1386 CG ARG A 83 -1.017 25.014 -5.453 1.00 0.00 C ATOM 1387 CD ARG A 83 0.129 25.978 -5.159 1.00 0.00 C ATOM 1388 NE ARG A 83 0.130 26.359 -3.729 1.00 0.00 N ATOM 1389 CZ ARG A 83 0.644 25.633 -2.736 1.00 0.00 C ATOM 1390 NH1 ARG A 83 1.236 24.489 -2.942 1.00 0.00 N ATOM 1391 NH2 ARG A 83 0.546 26.057 -1.508 1.00 0.00 N ATOM 0 H ARG A 83 -2.364 22.132 -5.432 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.061 23.736 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.057 24.154 -7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.297 25.331 -7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.962 25.511 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.941 24.160 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.080 25.512 -5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.031 26.869 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.298 27.251 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.318 24.121 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.617 23.963 -2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.077 26.941 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.938 25.505 -0.745 1.00 0.00 H new ATOM 1405 N SER A 84 -1.243 23.340 -9.416 1.00 0.00 N ATOM 1406 CA SER A 84 -1.269 22.996 -10.838 1.00 0.00 C ATOM 1407 C SER A 84 -1.256 21.484 -11.077 1.00 0.00 C ATOM 1408 O SER A 84 -1.760 21.013 -12.092 1.00 0.00 O ATOM 1409 CB SER A 84 -0.068 23.629 -11.531 1.00 0.00 C ATOM 1410 OG SER A 84 1.109 23.405 -10.774 1.00 0.00 O ATOM 0 H SER A 84 -0.454 23.925 -9.140 1.00 0.00 H new ATOM 0 HA SER A 84 -2.201 23.382 -11.251 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.048 23.208 -12.530 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.232 24.700 -11.653 1.00 0.00 H new ATOM 0 HG SER A 84 1.874 23.815 -11.230 1.00 0.00 H new ATOM 1416 N ARG A 85 -0.696 20.723 -10.143 1.00 0.00 N ATOM 1417 CA ARG A 85 -0.658 19.264 -10.265 1.00 0.00 C ATOM 1418 C ARG A 85 -1.799 18.598 -9.503 1.00 0.00 C ATOM 1419 O ARG A 85 -1.793 17.394 -9.391 1.00 0.00 O ATOM 1420 CB ARG A 85 0.661 18.692 -9.709 1.00 0.00 C ATOM 1421 CG ARG A 85 1.939 19.197 -10.362 1.00 0.00 C ATOM 1422 CD ARG A 85 3.163 18.490 -9.738 1.00 0.00 C ATOM 1423 NE ARG A 85 3.521 17.232 -10.427 1.00 0.00 N ATOM 1424 CZ ARG A 85 4.100 16.171 -9.859 1.00 0.00 C ATOM 1425 NH1 ARG A 85 4.372 16.107 -8.580 1.00 0.00 N ATOM 1426 NH2 ARG A 85 4.412 15.147 -10.596 1.00 0.00 N ATOM 0 H ARG A 85 -0.263 21.087 -9.295 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.750 19.051 -11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.709 18.915 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.632 17.607 -9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.908 19.010 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.024 20.276 -10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.017 19.166 -9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.956 18.276 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 85 3.307 17.169 -11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.140 16.891 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.815 15.273 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.214 15.160 -11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.855 14.331 -10.174 1.00 0.00 H new ATOM 1440 N GLN A 86 -2.763 19.342 -8.970 1.00 0.00 N ATOM 1441 CA GLN A 86 -3.810 18.714 -8.136 1.00 0.00 C ATOM 1442 C GLN A 86 -4.546 17.571 -8.843 1.00 0.00 C ATOM 1443 O GLN A 86 -4.734 16.501 -8.276 1.00 0.00 O ATOM 1444 CB GLN A 86 -4.835 19.758 -7.674 1.00 0.00 C ATOM 1445 CG GLN A 86 -5.691 19.300 -6.487 1.00 0.00 C ATOM 1446 CD GLN A 86 -4.902 19.280 -5.195 1.00 0.00 C ATOM 1447 OE1 GLN A 86 -4.058 20.135 -4.975 1.00 0.00 O ATOM 1448 NE2 GLN A 86 -5.172 18.332 -4.350 1.00 0.00 N ATOM 0 H GLN A 86 -2.851 20.351 -9.089 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.289 18.289 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.310 20.673 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.490 20.005 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.547 19.966 -6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.085 18.304 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.885 17.638 -4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.671 18.282 -3.463 1.00 0.00 H new ATOM 1457 N LYS A 87 -4.950 17.800 -10.089 1.00 0.00 N ATOM 1458 CA LYS A 87 -5.691 16.791 -10.866 1.00 0.00 C ATOM 1459 C LYS A 87 -4.835 15.558 -11.182 1.00 0.00 C ATOM 1460 O LYS A 87 -5.348 14.526 -11.557 1.00 0.00 O ATOM 1461 CB LYS A 87 -6.230 17.423 -12.164 1.00 0.00 C ATOM 1462 CG LYS A 87 -7.164 16.494 -12.970 1.00 0.00 C ATOM 1463 CD LYS A 87 -7.889 17.198 -14.108 1.00 0.00 C ATOM 1464 CE LYS A 87 -9.084 17.996 -13.598 1.00 0.00 C ATOM 1465 NZ LYS A 87 -9.913 18.505 -14.740 1.00 0.00 N ATOM 0 H LYS A 87 -4.781 18.673 -10.589 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.526 16.449 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.769 18.337 -11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.388 17.711 -12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.579 15.670 -13.378 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.901 16.059 -12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.198 17.865 -14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.226 16.461 -14.837 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.696 17.368 -12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.736 18.834 -12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.721 19.045 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.332 19.122 -15.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.262 17.702 -15.301 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.531 15.679 -11.014 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.622 14.567 -11.255 1.00 0.00 C ATOM 1481 C TYR A 88 -2.264 13.871 -9.944 1.00 0.00 C ATOM 1482 O TYR A 88 -2.223 12.664 -9.884 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.339 15.081 -11.924 1.00 0.00 C ATOM 1484 CG TYR A 88 -0.142 14.172 -11.711 1.00 0.00 C ATOM 1485 CD1 TYR A 88 0.120 13.094 -12.582 1.00 0.00 C ATOM 1486 CD2 TYR A 88 0.733 14.381 -10.624 1.00 0.00 C ATOM 1487 CE1 TYR A 88 1.242 12.240 -12.365 1.00 0.00 C ATOM 1488 CE2 TYR A 88 1.835 13.526 -10.401 1.00 0.00 C ATOM 1489 CZ TYR A 88 2.089 12.470 -11.275 1.00 0.00 C ATOM 1490 OH TYR A 88 3.181 11.667 -11.061 1.00 0.00 O ATOM 0 H TYR A 88 -3.074 16.539 -10.710 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.119 13.851 -11.910 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.515 15.192 -12.994 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.107 16.072 -11.534 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.535 12.913 -13.421 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.557 15.208 -9.952 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.437 11.419 -13.039 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.482 13.691 -9.552 1.00 0.00 H new ATOM 0 HH TYR A 88 3.836 12.145 -10.510 1.00 0.00 H new ATOM 1500 N ALA A 89 -1.977 14.641 -8.905 1.00 0.00 N ATOM 1501 CA ALA A 89 -1.459 14.064 -7.672 1.00 0.00 C ATOM 1502 C ALA A 89 -2.512 13.576 -6.680 1.00 0.00 C ATOM 1503 O ALA A 89 -2.353 12.511 -6.139 1.00 0.00 O ATOM 1504 CB ALA A 89 -0.518 15.037 -7.020 1.00 0.00 C ATOM 0 H ALA A 89 -2.092 15.654 -8.889 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.934 13.156 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.130 14.605 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.310 15.251 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.050 15.961 -6.793 1.00 0.00 H new ATOM 1510 N GLU A 90 -3.587 14.305 -6.430 1.00 0.00 N ATOM 1511 CA GLU A 90 -4.609 13.770 -5.515 1.00 0.00 C ATOM 1512 C GLU A 90 -5.348 12.611 -6.217 1.00 0.00 C ATOM 1513 O GLU A 90 -5.989 11.766 -5.589 1.00 0.00 O ATOM 1514 CB GLU A 90 -5.573 14.857 -5.051 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.081 14.645 -3.608 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.062 15.059 -2.528 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.170 16.203 -2.031 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.172 14.247 -2.157 1.00 0.00 O ATOM 0 H GLU A 90 -3.780 15.227 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.124 13.391 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.077 15.825 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.426 14.890 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.999 15.216 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.335 13.594 -3.472 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.213 12.557 -7.534 1.00 0.00 N ATOM 1526 CA GLU A 91 -5.721 11.433 -8.319 1.00 0.00 C ATOM 1527 C GLU A 91 -4.936 10.182 -7.897 1.00 0.00 C ATOM 1528 O GLU A 91 -5.479 9.086 -7.855 1.00 0.00 O ATOM 1529 CB GLU A 91 -5.541 11.732 -9.811 1.00 0.00 C ATOM 1530 CG GLU A 91 -5.870 10.592 -10.767 1.00 0.00 C ATOM 1531 CD GLU A 91 -7.350 10.242 -10.815 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -8.205 11.146 -10.654 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -7.655 9.048 -11.032 1.00 0.00 O ATOM 0 H GLU A 91 -4.754 13.281 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.784 11.270 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.167 12.587 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.507 12.033 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.537 10.862 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.306 9.707 -10.471 1.00 0.00 H new ATOM 1540 N GLU A 92 -3.665 10.347 -7.548 1.00 0.00 N ATOM 1541 CA GLU A 92 -2.857 9.224 -7.070 1.00 0.00 C ATOM 1542 C GLU A 92 -3.430 8.720 -5.745 1.00 0.00 C ATOM 1543 O GLU A 92 -3.302 7.551 -5.431 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.385 9.618 -6.853 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.654 10.119 -8.096 1.00 0.00 C ATOM 1546 CD GLU A 92 -0.431 9.023 -9.120 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -0.848 9.167 -10.285 1.00 0.00 O ATOM 1548 OE2 GLU A 92 0.168 7.993 -8.747 1.00 0.00 O ATOM 0 H GLU A 92 -3.172 11.239 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.890 8.447 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.343 10.394 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.849 8.754 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.229 10.926 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.308 10.539 -7.803 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.071 9.591 -4.970 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.681 9.178 -3.698 1.00 0.00 C ATOM 1557 C LEU A 93 -5.877 8.287 -4.031 1.00 0.00 C ATOM 1558 O LEU A 93 -6.075 7.211 -3.443 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.120 10.408 -2.868 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.499 10.283 -1.375 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -6.781 9.477 -1.144 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -4.363 9.686 -0.545 1.00 0.00 C ATOM 0 H LEU A 93 -4.184 10.580 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.959 8.632 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.311 11.136 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.980 10.843 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.684 11.304 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.992 9.427 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.613 9.962 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.652 8.468 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.672 9.616 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.123 8.691 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.483 10.325 -0.620 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.678 8.709 -4.993 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.821 7.891 -5.386 1.00 0.00 C ATOM 1576 C GLU A 94 -7.299 6.548 -5.914 1.00 0.00 C ATOM 1577 O GLU A 94 -7.894 5.495 -5.700 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.683 8.618 -6.424 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.057 7.972 -6.639 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.909 7.942 -5.363 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.691 6.982 -5.193 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -10.799 8.867 -4.516 1.00 0.00 O ATOM 0 H GLU A 94 -6.569 9.584 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.463 7.708 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.822 9.652 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.150 8.643 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.593 8.519 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.921 6.954 -7.003 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.154 6.573 -6.571 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.549 5.346 -7.058 1.00 0.00 C ATOM 1591 C GLN A 95 -4.762 4.547 -5.989 1.00 0.00 C ATOM 1592 O GLN A 95 -4.407 3.397 -6.243 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.730 5.630 -8.314 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.629 6.071 -9.485 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.878 6.306 -10.779 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -3.885 5.646 -11.079 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -5.352 7.239 -11.559 1.00 0.00 N ATOM 0 H GLN A 95 -5.628 7.422 -6.779 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.367 4.675 -7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.997 6.408 -8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.174 4.736 -8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.391 5.310 -9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.149 6.988 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.178 7.767 -11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.896 7.440 -12.449 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.523 5.082 -4.787 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.028 4.214 -3.695 1.00 0.00 C ATOM 1608 C VAL A 96 -5.255 3.550 -3.107 1.00 0.00 C ATOM 1609 O VAL A 96 -5.179 2.434 -2.597 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.179 4.879 -2.533 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -1.924 5.496 -3.074 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -3.941 5.893 -1.701 1.00 0.00 C ATOM 0 H VAL A 96 -4.654 6.064 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.303 3.539 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.930 4.061 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.359 5.946 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.319 4.727 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.181 6.264 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.285 6.298 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.289 6.702 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.797 5.409 -1.231 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.410 4.210 -3.200 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.645 3.554 -2.756 1.00 0.00 C ATOM 1624 C ARG A 97 -7.871 2.382 -3.705 1.00 0.00 C ATOM 1625 O ARG A 97 -8.318 1.322 -3.283 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.854 4.495 -2.756 1.00 0.00 C ATOM 1627 CG ARG A 97 -8.706 5.701 -1.837 1.00 0.00 C ATOM 1628 CD ARG A 97 -9.844 6.683 -2.056 1.00 0.00 C ATOM 1629 NE ARG A 97 -11.116 6.169 -1.524 1.00 0.00 N ATOM 1630 CZ ARG A 97 -12.306 6.724 -1.721 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -12.480 7.797 -2.446 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -13.353 6.179 -1.166 1.00 0.00 N ATOM 0 H ARG A 97 -6.519 5.157 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.538 3.227 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.027 4.846 -3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.739 3.932 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.696 5.374 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.752 6.194 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.605 7.631 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.950 6.885 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.081 5.320 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.680 8.247 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.416 8.185 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.249 5.342 -0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.276 6.590 -1.305 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.536 2.563 -4.977 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.608 1.462 -5.943 1.00 0.00 C ATOM 1648 C GLU A 98 -6.579 0.377 -5.600 1.00 0.00 C ATOM 1649 O GLU A 98 -6.916 -0.798 -5.601 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.369 1.952 -7.377 1.00 0.00 C ATOM 1651 CG GLU A 98 -7.564 0.851 -8.424 1.00 0.00 C ATOM 1652 CD GLU A 98 -7.120 1.275 -9.812 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -7.727 2.202 -10.383 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -6.161 0.665 -10.338 1.00 0.00 O ATOM 0 H GLU A 98 -7.215 3.450 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.613 1.045 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.050 2.776 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.356 2.347 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.004 -0.034 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.616 0.567 -8.455 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.341 0.767 -5.299 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.286 -0.189 -4.921 1.00 0.00 C ATOM 1663 C ALA A 99 -4.785 -1.061 -3.757 1.00 0.00 C ATOM 1664 O ALA A 99 -4.764 -2.303 -3.824 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.019 0.555 -4.530 1.00 0.00 C ATOM 0 H ALA A 99 -5.037 1.741 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.053 -0.830 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.247 -0.162 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.673 1.153 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.228 1.209 -3.683 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.256 -0.406 -2.704 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.767 -1.111 -1.535 1.00 0.00 C ATOM 1673 C LEU A 100 -6.938 -2.014 -1.902 1.00 0.00 C ATOM 1674 O LEU A 100 -6.942 -3.192 -1.565 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.206 -0.104 -0.465 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.786 -0.709 0.827 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.754 -1.556 1.578 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -7.290 0.414 1.730 1.00 0.00 C ATOM 0 H LEU A 100 -5.295 0.611 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.964 -1.735 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.348 0.514 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.954 0.558 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.609 -1.367 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.206 -1.963 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.421 -2.374 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.900 -0.935 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.701 -0.012 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.463 1.080 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.066 0.977 1.212 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.931 -1.477 -2.598 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.117 -2.263 -2.954 1.00 0.00 C ATOM 1692 C ARG A 101 -8.760 -3.448 -3.844 1.00 0.00 C ATOM 1693 O ARG A 101 -9.358 -4.516 -3.724 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.162 -1.367 -3.636 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.503 -2.058 -3.916 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.266 -2.413 -2.632 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.091 -3.616 -2.842 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.093 -4.697 -2.064 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -12.382 -4.795 -0.980 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -13.832 -5.712 -2.401 1.00 0.00 N ATOM 0 H ARG A 101 -7.945 -0.512 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.542 -2.664 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.341 -0.495 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.751 -1.002 -4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.121 -1.406 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.326 -2.967 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.561 -2.585 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.899 -1.577 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.712 -3.621 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.786 -4.020 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.421 -5.647 -0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.397 -5.672 -3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.846 -6.548 -1.817 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.786 -3.280 -4.726 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.335 -4.372 -5.591 1.00 0.00 C ATOM 1716 C LYS A 102 -6.776 -5.473 -4.712 1.00 0.00 C ATOM 1717 O LYS A 102 -7.133 -6.636 -4.879 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.269 -3.865 -6.584 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.762 -4.898 -7.621 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.692 -5.843 -7.046 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.780 -6.398 -8.132 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.738 -7.311 -7.543 1.00 0.00 N ATOM 0 H LYS A 102 -7.290 -2.400 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.170 -4.758 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.679 -3.011 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.414 -3.502 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.605 -5.487 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.350 -4.370 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.094 -5.308 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.178 -6.667 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.373 -6.942 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.294 -5.577 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.922 -7.366 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.430 -6.938 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.142 -8.261 -7.414 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.904 -5.115 -3.780 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.291 -6.112 -2.909 1.00 0.00 C ATOM 1738 C ALA A 103 -6.354 -6.792 -2.038 1.00 0.00 C ATOM 1739 O ALA A 103 -6.361 -8.015 -1.886 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.227 -5.457 -2.041 1.00 0.00 C ATOM 0 H ALA A 103 -5.607 -4.155 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.819 -6.876 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.773 -6.207 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.460 -5.015 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.684 -4.679 -1.430 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.256 -5.998 -1.481 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.328 -6.526 -0.643 1.00 0.00 C ATOM 1748 C GLU A 104 -9.168 -7.523 -1.417 1.00 0.00 C ATOM 1749 O GLU A 104 -9.467 -8.593 -0.914 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.251 -5.406 -0.175 1.00 0.00 C ATOM 1751 CG GLU A 104 -8.702 -4.510 0.917 1.00 0.00 C ATOM 1752 CD GLU A 104 -9.667 -3.370 1.243 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -9.589 -2.822 2.361 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -10.516 -3.030 0.377 1.00 0.00 O ATOM 0 H GLU A 104 -7.269 -4.984 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.860 -7.010 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.503 -4.786 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.180 -5.851 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.517 -5.100 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.743 -4.098 0.603 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.540 -7.175 -2.642 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.360 -8.053 -3.480 1.00 0.00 C ATOM 1763 C LYS A 105 -9.608 -9.319 -3.859 1.00 0.00 C ATOM 1764 O LYS A 105 -10.180 -10.396 -3.895 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.793 -7.319 -4.749 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.796 -8.108 -5.575 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.104 -7.416 -6.882 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.087 -8.252 -7.690 1.00 0.00 C ATOM 1769 NZ LYS A 105 -13.336 -7.652 -9.041 1.00 0.00 N ATOM 0 H LYS A 105 -9.288 -6.290 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.240 -8.335 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.230 -6.359 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.914 -7.108 -5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.401 -9.104 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.716 -8.238 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.524 -6.428 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.186 -7.267 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.697 -9.263 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.029 -8.334 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.010 -8.246 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.731 -6.696 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.440 -7.597 -9.567 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.323 -9.197 -4.134 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.510 -10.358 -4.484 1.00 0.00 C ATOM 1785 C GLU A 106 -7.461 -11.300 -3.274 1.00 0.00 C ATOM 1786 O GLU A 106 -7.637 -12.523 -3.388 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.112 -9.887 -4.894 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.202 -10.978 -5.405 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.908 -10.412 -5.969 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.822 -10.701 -5.421 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.976 -9.658 -6.966 1.00 0.00 O ATOM 0 H GLU A 106 -7.817 -8.312 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.940 -10.900 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.213 -9.125 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.638 -9.410 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.974 -11.671 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.717 -11.549 -6.178 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.254 -10.723 -2.102 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.205 -11.514 -0.882 1.00 0.00 C ATOM 1800 C LEU A 107 -8.594 -12.042 -0.508 1.00 0.00 C ATOM 1801 O LEU A 107 -8.700 -13.050 0.179 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.583 -10.691 0.245 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.073 -10.458 0.035 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -4.584 -9.252 0.809 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.268 -11.688 0.456 1.00 0.00 C ATOM 0 H LEU A 107 -7.118 -9.721 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.574 -12.387 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.091 -9.729 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.741 -11.202 1.195 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.923 -10.275 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.516 -9.118 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.119 -8.363 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.764 -9.405 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.206 -11.499 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.447 -11.896 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.576 -12.546 -0.141 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.655 -11.394 -0.973 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.015 -11.912 -0.780 1.00 0.00 C ATOM 1819 C GLU A 108 -11.140 -13.206 -1.585 1.00 0.00 C ATOM 1820 O GLU A 108 -11.614 -14.218 -1.062 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.083 -10.900 -1.223 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.393 -9.843 -0.168 1.00 0.00 C ATOM 1823 CD GLU A 108 -12.952 -8.551 -0.759 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -13.612 -8.580 -1.822 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -12.719 -7.484 -0.151 1.00 0.00 O ATOM 0 H GLU A 108 -9.607 -10.513 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.183 -12.097 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.748 -10.405 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.000 -11.436 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.111 -10.249 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.484 -9.617 0.389 1.00 0.00 H new ATOM 1832 N SER A 109 -10.688 -13.190 -2.837 1.00 0.00 N ATOM 1833 CA SER A 109 -10.707 -14.396 -3.677 1.00 0.00 C ATOM 1834 C SER A 109 -9.830 -15.488 -3.075 1.00 0.00 C ATOM 1835 O SER A 109 -10.136 -16.672 -3.194 1.00 0.00 O ATOM 1836 CB SER A 109 -10.243 -14.090 -5.103 1.00 0.00 C ATOM 1837 OG SER A 109 -9.479 -12.902 -5.151 1.00 0.00 O ATOM 0 H SER A 109 -10.305 -12.363 -3.295 1.00 0.00 H new ATOM 0 HA SER A 109 -11.738 -14.748 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.649 -14.922 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.110 -13.994 -5.757 1.00 0.00 H new ATOM 0 HG SER A 109 -8.644 -13.029 -4.653 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.757 -15.102 -2.396 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.893 -16.097 -1.750 1.00 0.00 C ATOM 1845 C HIS A 110 -8.565 -16.667 -0.489 1.00 0.00 C ATOM 1846 O HIS A 110 -8.196 -17.736 -0.008 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.567 -15.464 -1.317 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.727 -14.948 -2.445 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.971 -15.164 -3.782 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.594 -14.201 -2.415 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -5.013 -14.564 -4.480 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.139 -13.964 -3.694 1.00 0.00 N ATOM 0 H HIS A 110 -8.464 -14.132 -2.276 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.717 -16.889 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.778 -14.642 -0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.991 -16.203 -0.760 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.752 -15.693 -4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.116 -13.843 -1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.956 -14.567 -5.559 1.00 0.00 H new ATOM 1860 N SER A 111 -9.543 -15.942 0.042 1.00 0.00 N ATOM 1861 CA SER A 111 -10.248 -16.322 1.273 1.00 0.00 C ATOM 1862 C SER A 111 -11.696 -16.748 1.021 1.00 0.00 C ATOM 1863 O SER A 111 -12.458 -16.958 1.957 1.00 0.00 O ATOM 1864 CB SER A 111 -10.245 -15.142 2.237 1.00 0.00 C ATOM 1865 OG SER A 111 -10.785 -13.998 1.607 1.00 0.00 O ATOM 0 H SER A 111 -9.875 -15.069 -0.367 1.00 0.00 H new ATOM 0 HA SER A 111 -9.721 -17.179 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.828 -15.387 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.227 -14.937 2.570 1.00 0.00 H new ATOM 0 HG SER A 111 -10.057 -13.444 1.256 1.00 0.00 H new ATOM 1871 N SER A 112 -12.063 -16.890 -0.244 1.00 0.00 N ATOM 1872 CA SER A 112 -13.421 -17.298 -0.654 1.00 0.00 C ATOM 1873 C SER A 112 -13.813 -18.757 -0.332 1.00 0.00 C ATOM 1874 O SER A 112 -14.800 -19.245 -0.860 1.00 0.00 O ATOM 1875 CB SER A 112 -13.602 -17.037 -2.146 1.00 0.00 C ATOM 1876 OG SER A 112 -13.481 -15.650 -2.415 1.00 0.00 O ATOM 0 H SER A 112 -11.431 -16.727 -1.028 1.00 0.00 H new ATOM 0 HA SER A 112 -14.093 -16.688 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.855 -17.592 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.579 -17.395 -2.470 1.00 0.00 H new ATOM 0 HG SER A 112 -12.878 -15.241 -1.759 1.00 0.00 H new ATOM 1882 N TRP A 113 -13.009 -19.405 0.514 1.00 0.00 N ATOM 1883 CA TRP A 113 -13.169 -20.798 1.007 1.00 0.00 C ATOM 1884 C TRP A 113 -13.265 -21.946 -0.012 1.00 0.00 C ATOM 1885 O TRP A 113 -13.659 -21.780 -1.163 1.00 0.00 O ATOM 1886 CB TRP A 113 -14.287 -20.898 2.071 1.00 0.00 C ATOM 1887 CG TRP A 113 -15.684 -20.641 1.578 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -16.520 -21.525 0.977 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -16.423 -19.400 1.638 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -17.712 -20.949 0.648 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -17.693 -19.637 1.034 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -16.131 -18.108 2.124 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -18.671 -18.628 0.907 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -17.112 -17.086 1.997 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -18.374 -17.363 1.388 1.00 0.00 C ATOM 0 H TRP A 113 -12.179 -18.957 0.902 1.00 0.00 H new ATOM 0 HA TRP A 113 -12.190 -20.980 1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -14.255 -21.894 2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -14.067 -20.189 2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -16.272 -22.558 0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -18.491 -21.420 0.189 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -15.177 -17.898 2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -19.626 -18.836 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -16.901 -16.092 2.364 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -19.107 -16.575 1.301 1.00 0.00 H new ATOM 1906 N TYR A 114 -12.862 -23.123 0.452 1.00 0.00 N ATOM 1907 CA TYR A 114 -12.845 -24.345 -0.358 1.00 0.00 C ATOM 1908 C TYR A 114 -12.574 -25.544 0.547 1.00 0.00 C ATOM 1909 O TYR A 114 -13.186 -26.599 0.391 1.00 0.00 O ATOM 1910 CB TYR A 114 -11.742 -24.272 -1.415 1.00 0.00 C ATOM 1911 CG TYR A 114 -11.564 -25.551 -2.197 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -10.365 -26.288 -2.108 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -12.594 -26.040 -3.027 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -10.198 -27.495 -2.835 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -12.429 -27.249 -3.756 1.00 0.00 C ATOM 1916 CZ TYR A 114 -11.233 -27.963 -3.651 1.00 0.00 C ATOM 1917 OH TYR A 114 -11.072 -29.129 -4.355 1.00 0.00 O ATOM 0 H TYR A 114 -12.534 -23.262 1.408 1.00 0.00 H new ATOM 0 HA TYR A 114 -13.811 -24.449 -0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -11.968 -23.462 -2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -10.800 -24.021 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -9.564 -25.929 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -13.519 -25.489 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -9.275 -28.050 -2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.225 -27.614 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 114 -11.884 -29.314 -4.872 1.00 0.00 H new ATOM 1927 N ALA A 115 -11.656 -25.356 1.490 1.00 0.00 N ATOM 1928 CA ALA A 115 -11.328 -26.385 2.474 1.00 0.00 C ATOM 1929 C ALA A 115 -12.517 -26.593 3.420 1.00 0.00 C ATOM 1930 O ALA A 115 -12.658 -27.715 3.950 1.00 0.00 O ATOM 1931 CB ALA A 115 -10.076 -25.967 3.269 1.00 0.00 C ATOM 1932 OXT ALA A 115 -13.279 -25.619 3.617 1.00 0.00 O ATOM 0 H ALA A 115 -11.122 -24.494 1.595 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.119 -27.324 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.836 -26.738 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.236 -25.842 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.269 -25.026 3.783 1.00 0.00 H new TER 1938 ALA A 115