USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 455 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 18 ASN : amide:sc= -0.741 K(o=0.84,f=-2.9) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -167:sc= 1.58 (180deg=0.968) USER MOD Set 2.1: A 9 ASN : amide:sc= -1.33! X(o=-1!,f=-1.1) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 173:sc= 0.289 (180deg=0.0818) USER MOD Single : A 8 CYS SG : rot -76:sc= -3.89! USER MOD Single : A 20 SER OG : rot 12:sc= -0.733 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc=-0.00847 (180deg=-0.249) USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= -0.015 (180deg=-1.59!) USER MOD Single : A 38 THR OG1 : rot 103:sc= 1.2 USER MOD Single : A 39 MET CE :methyl -154:sc= -0.0926 (180deg=-1.22) USER MOD Single : A 46 THR OG1 : rot -72:sc= 0.465 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0119 (180deg=-0.179) USER MOD Single : A 66 THR OG1 : rot -130:sc= 0.612 USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.459 -13.583 -1.535 1.00 0.00 N ATOM 51 CA GLU A 4 -7.673 -12.491 -0.602 1.00 0.00 C ATOM 52 C GLU A 4 -6.360 -11.887 -0.145 1.00 0.00 C ATOM 53 O GLU A 4 -5.617 -12.483 0.634 1.00 0.00 O ATOM 54 CB GLU A 4 -8.473 -12.966 0.600 1.00 0.00 C ATOM 55 CG GLU A 4 -9.900 -13.327 0.254 1.00 0.00 C ATOM 56 CD GLU A 4 -10.596 -14.055 1.381 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.734 -13.468 2.476 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.993 -15.222 1.188 1.00 0.00 O ATOM 0 HA GLU A 4 -8.238 -11.719 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.980 -13.834 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.476 -12.184 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.454 -12.420 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.908 -13.952 -0.639 1.00 0.00 H new ATOM 65 N VAL A 5 -6.086 -10.706 -0.649 1.00 0.00 N ATOM 66 CA VAL A 5 -4.904 -9.966 -0.260 1.00 0.00 C ATOM 67 C VAL A 5 -5.258 -9.033 0.886 1.00 0.00 C ATOM 68 O VAL A 5 -6.188 -8.233 0.776 1.00 0.00 O ATOM 69 CB VAL A 5 -4.334 -9.134 -1.428 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.904 -8.712 -1.131 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.406 -9.904 -2.737 1.00 0.00 C ATOM 0 H VAL A 5 -6.671 -10.232 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.143 -10.685 0.044 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.945 -8.238 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.517 -8.126 -1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.884 -8.109 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.285 -9.598 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.997 -9.293 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.827 -10.824 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.445 -10.148 -2.959 1.00 0.00 H new ATOM 81 N ARG A 6 -4.550 -9.156 1.992 1.00 0.00 N ATOM 82 CA ARG A 6 -4.790 -8.298 3.143 1.00 0.00 C ATOM 83 C ARG A 6 -3.486 -7.636 3.568 1.00 0.00 C ATOM 84 O ARG A 6 -2.418 -7.994 3.078 1.00 0.00 O ATOM 85 CB ARG A 6 -5.390 -9.081 4.324 1.00 0.00 C ATOM 86 CG ARG A 6 -6.617 -9.911 3.980 1.00 0.00 C ATOM 87 CD ARG A 6 -6.262 -11.371 3.751 1.00 0.00 C ATOM 88 NE ARG A 6 -7.452 -12.216 3.657 1.00 0.00 N ATOM 89 CZ ARG A 6 -7.598 -13.366 4.318 1.00 0.00 C ATOM 90 NH1 ARG A 6 -6.656 -13.769 5.160 1.00 0.00 N ATOM 91 NH2 ARG A 6 -8.697 -14.095 4.159 1.00 0.00 N ATOM 0 H ARG A 6 -3.804 -9.840 2.121 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.514 -7.537 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.624 -9.741 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.655 -8.376 5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.345 -9.836 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.091 -9.507 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.679 -11.463 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.631 -11.723 4.567 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.214 -11.909 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.821 -13.200 5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.766 -14.648 5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.434 -13.776 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.804 -14.973 4.666 1.00 0.00 H new ATOM 105 N ASP A 7 -3.576 -6.676 4.473 1.00 0.00 N ATOM 106 CA ASP A 7 -2.398 -5.974 4.968 1.00 0.00 C ATOM 107 C ASP A 7 -1.751 -6.769 6.098 1.00 0.00 C ATOM 108 O ASP A 7 -2.033 -7.957 6.274 1.00 0.00 O ATOM 109 CB ASP A 7 -2.784 -4.567 5.454 1.00 0.00 C ATOM 110 CG ASP A 7 -3.697 -4.575 6.670 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.288 -5.630 6.979 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.822 -3.520 7.327 1.00 0.00 O ATOM 0 H ASP A 7 -4.456 -6.362 4.883 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.678 -5.875 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.877 -4.013 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.278 -4.033 4.642 1.00 0.00 H new ATOM 117 N CYS A 8 -0.907 -6.114 6.880 1.00 0.00 N ATOM 118 CA CYS A 8 -0.231 -6.774 7.993 1.00 0.00 C ATOM 119 C CYS A 8 -1.175 -6.912 9.191 1.00 0.00 C ATOM 120 O CYS A 8 -0.754 -7.239 10.303 1.00 0.00 O ATOM 121 CB CYS A 8 1.011 -5.976 8.383 1.00 0.00 C ATOM 122 SG CYS A 8 0.663 -4.244 8.760 1.00 0.00 S ATOM 0 H CYS A 8 -0.672 -5.128 6.767 1.00 0.00 H new ATOM 0 HA CYS A 8 0.070 -7.774 7.682 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.476 -6.443 9.252 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.735 -6.025 7.570 1.00 0.00 H new ATOM 0 HG CYS A 8 0.471 -3.589 7.654 1.00 0.00 H new ATOM 128 N ASN A 9 -2.453 -6.664 8.950 1.00 0.00 N ATOM 129 CA ASN A 9 -3.465 -6.715 9.991 1.00 0.00 C ATOM 130 C ASN A 9 -4.494 -7.782 9.671 1.00 0.00 C ATOM 131 O ASN A 9 -4.838 -8.614 10.508 1.00 0.00 O ATOM 132 CB ASN A 9 -4.167 -5.365 10.088 1.00 0.00 C ATOM 133 CG ASN A 9 -4.968 -5.190 11.365 1.00 0.00 C ATOM 134 OD1 ASN A 9 -5.971 -4.479 11.381 1.00 0.00 O ATOM 135 ND2 ASN A 9 -4.529 -5.816 12.446 1.00 0.00 N ATOM 0 H ASN A 9 -2.816 -6.422 8.028 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.980 -6.953 10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.422 -4.572 10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.832 -5.248 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.027 -5.717 13.331 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.693 -6.398 12.394 1.00 0.00 H new ATOM 142 N GLY A 10 -4.963 -7.752 8.440 1.00 0.00 N ATOM 143 CA GLY A 10 -6.034 -8.624 8.027 1.00 0.00 C ATOM 144 C GLY A 10 -7.106 -7.857 7.288 1.00 0.00 C ATOM 145 O GLY A 10 -8.154 -8.404 6.949 1.00 0.00 O ATOM 0 H GLY A 10 -4.616 -7.130 7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.639 -9.412 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.468 -9.111 8.900 1.00 0.00 H new ATOM 149 N ALA A 11 -6.843 -6.577 7.045 1.00 0.00 N ATOM 150 CA ALA A 11 -7.751 -5.746 6.279 1.00 0.00 C ATOM 151 C ALA A 11 -7.590 -6.042 4.797 1.00 0.00 C ATOM 152 O ALA A 11 -6.482 -5.996 4.263 1.00 0.00 O ATOM 153 CB ALA A 11 -7.506 -4.273 6.567 1.00 0.00 C ATOM 0 H ALA A 11 -6.005 -6.096 7.371 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.775 -5.976 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.198 -3.668 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.662 -4.079 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.482 -4.015 6.298 1.00 0.00 H new ATOM 159 N LEU A 12 -8.694 -6.365 4.147 1.00 0.00 N ATOM 160 CA LEU A 12 -8.674 -6.772 2.750 1.00 0.00 C ATOM 161 C LEU A 12 -8.394 -5.597 1.826 1.00 0.00 C ATOM 162 O LEU A 12 -8.963 -4.516 1.982 1.00 0.00 O ATOM 163 CB LEU A 12 -9.998 -7.436 2.382 1.00 0.00 C ATOM 164 CG LEU A 12 -10.155 -8.867 2.892 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.625 -9.231 3.019 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.456 -9.834 1.950 1.00 0.00 C ATOM 0 H LEU A 12 -9.623 -6.353 4.567 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.864 -7.489 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.815 -6.832 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.099 -7.438 1.297 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.696 -8.937 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.716 -10.254 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.109 -8.551 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.106 -9.149 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.573 -10.852 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.897 -9.757 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.396 -9.587 1.896 1.00 0.00 H new ATOM 178 N LEU A 13 -7.512 -5.824 0.869 1.00 0.00 N ATOM 179 CA LEU A 13 -7.150 -4.812 -0.104 1.00 0.00 C ATOM 180 C LEU A 13 -7.794 -5.114 -1.445 1.00 0.00 C ATOM 181 O LEU A 13 -8.226 -6.240 -1.699 1.00 0.00 O ATOM 182 CB LEU A 13 -5.631 -4.756 -0.267 1.00 0.00 C ATOM 183 CG LEU A 13 -4.863 -4.317 0.977 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.367 -4.494 0.768 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.184 -2.871 1.318 1.00 0.00 C ATOM 0 H LEU A 13 -7.028 -6.713 0.746 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.509 -3.847 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.276 -5.743 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.393 -4.072 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.172 -4.945 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.834 -4.176 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.149 -5.543 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.044 -3.889 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.628 -2.575 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.902 -2.229 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.253 -2.771 1.508 1.00 0.00 H new ATOM 197 N ALA A 14 -7.845 -4.108 -2.298 1.00 0.00 N ATOM 198 CA ALA A 14 -8.409 -4.254 -3.629 1.00 0.00 C ATOM 199 C ALA A 14 -7.898 -3.145 -4.534 1.00 0.00 C ATOM 200 O ALA A 14 -7.119 -2.299 -4.100 1.00 0.00 O ATOM 201 CB ALA A 14 -9.930 -4.234 -3.570 1.00 0.00 C ATOM 0 H ALA A 14 -7.499 -3.171 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.096 -5.215 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.335 -4.345 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.281 -5.056 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.265 -3.287 -3.146 1.00 0.00 H new ATOM 207 N ASP A 15 -8.323 -3.158 -5.787 1.00 0.00 N ATOM 208 CA ASP A 15 -7.956 -2.100 -6.723 1.00 0.00 C ATOM 209 C ASP A 15 -8.550 -0.771 -6.267 1.00 0.00 C ATOM 210 O ASP A 15 -9.755 -0.670 -6.018 1.00 0.00 O ATOM 211 CB ASP A 15 -8.437 -2.438 -8.138 1.00 0.00 C ATOM 212 CG ASP A 15 -7.989 -1.421 -9.175 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.583 -0.325 -9.242 1.00 0.00 O ATOM 214 OD2 ASP A 15 -7.050 -1.721 -9.943 1.00 0.00 O ATOM 0 H ASP A 15 -8.920 -3.885 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.869 -2.015 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.063 -3.423 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.525 -2.497 -8.142 1.00 0.00 H new ATOM 219 N GLY A 16 -7.697 0.231 -6.127 1.00 0.00 N ATOM 220 CA GLY A 16 -8.147 1.542 -5.713 1.00 0.00 C ATOM 221 C GLY A 16 -8.109 1.713 -4.210 1.00 0.00 C ATOM 222 O GLY A 16 -8.742 2.618 -3.665 1.00 0.00 O ATOM 0 H GLY A 16 -6.693 0.158 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.521 2.303 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.164 1.704 -6.069 1.00 0.00 H new ATOM 226 N ASP A 17 -7.372 0.836 -3.541 1.00 0.00 N ATOM 227 CA ASP A 17 -7.247 0.885 -2.089 1.00 0.00 C ATOM 228 C ASP A 17 -5.981 1.637 -1.698 1.00 0.00 C ATOM 229 O ASP A 17 -5.196 2.035 -2.561 1.00 0.00 O ATOM 230 CB ASP A 17 -7.218 -0.524 -1.497 1.00 0.00 C ATOM 231 CG ASP A 17 -7.845 -0.575 -0.116 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.221 -0.088 0.845 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.981 -1.076 0.006 1.00 0.00 O ATOM 0 H ASP A 17 -6.850 0.079 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.115 1.409 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.748 -1.207 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.187 -0.872 -1.440 1.00 0.00 H new ATOM 238 N ASN A 18 -5.783 1.841 -0.407 1.00 0.00 N ATOM 239 CA ASN A 18 -4.626 2.577 0.071 1.00 0.00 C ATOM 240 C ASN A 18 -3.906 1.845 1.187 1.00 0.00 C ATOM 241 O ASN A 18 -4.520 1.273 2.086 1.00 0.00 O ATOM 242 CB ASN A 18 -5.004 3.988 0.532 1.00 0.00 C ATOM 243 CG ASN A 18 -6.217 4.048 1.444 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.549 3.104 2.166 1.00 0.00 O ATOM 245 ND2 ASN A 18 -6.881 5.184 1.419 1.00 0.00 N ATOM 0 H ASN A 18 -6.407 1.508 0.328 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.945 2.659 -0.776 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.152 4.427 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.194 4.605 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.703 5.308 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.574 5.941 0.808 1.00 0.00 H new ATOM 252 N VAL A 19 -2.588 1.883 1.121 1.00 0.00 N ATOM 253 CA VAL A 19 -1.746 1.252 2.123 1.00 0.00 C ATOM 254 C VAL A 19 -0.675 2.229 2.586 1.00 0.00 C ATOM 255 O VAL A 19 -0.557 3.331 2.049 1.00 0.00 O ATOM 256 CB VAL A 19 -1.069 -0.037 1.597 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.111 -1.059 1.174 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.121 0.271 0.448 1.00 0.00 C ATOM 0 H VAL A 19 -2.072 2.350 0.375 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.391 0.972 2.956 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.483 -0.462 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.613 -1.957 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.738 -1.315 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.731 -0.640 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.340 -0.653 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.677 0.730 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.654 0.957 0.790 1.00 0.00 H new ATOM 268 N SER A 20 0.083 1.842 3.594 1.00 0.00 N ATOM 269 CA SER A 20 1.176 2.660 4.086 1.00 0.00 C ATOM 270 C SER A 20 2.254 1.788 4.728 1.00 0.00 C ATOM 271 O SER A 20 1.972 0.692 5.211 1.00 0.00 O ATOM 272 CB SER A 20 0.650 3.709 5.074 1.00 0.00 C ATOM 273 OG SER A 20 -0.189 4.647 4.422 1.00 0.00 O ATOM 0 H SER A 20 -0.039 0.960 4.091 1.00 0.00 H new ATOM 0 HA SER A 20 1.629 3.183 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.097 3.216 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.488 4.228 5.539 1.00 0.00 H new ATOM 0 HG SER A 20 -0.405 4.323 3.523 1.00 0.00 H new ATOM 279 N LEU A 21 3.486 2.275 4.695 1.00 0.00 N ATOM 280 CA LEU A 21 4.640 1.560 5.238 1.00 0.00 C ATOM 281 C LEU A 21 4.532 1.383 6.750 1.00 0.00 C ATOM 282 O LEU A 21 4.316 2.354 7.475 1.00 0.00 O ATOM 283 CB LEU A 21 5.924 2.331 4.906 1.00 0.00 C ATOM 284 CG LEU A 21 6.567 2.035 3.545 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.166 0.647 3.543 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.563 2.181 2.411 1.00 0.00 C ATOM 0 H LEU A 21 3.718 3.182 4.289 1.00 0.00 H new ATOM 0 HA LEU A 21 4.666 0.570 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.704 3.397 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.659 2.121 5.683 1.00 0.00 H new ATOM 0 HG LEU A 21 7.359 2.765 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.620 0.448 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.927 0.578 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.384 -0.087 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.052 1.964 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.739 1.483 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.177 3.200 2.396 1.00 0.00 H new ATOM 298 N ILE A 22 4.698 0.150 7.227 1.00 0.00 N ATOM 299 CA ILE A 22 4.666 -0.112 8.667 1.00 0.00 C ATOM 300 C ILE A 22 6.072 -0.055 9.247 1.00 0.00 C ATOM 301 O ILE A 22 6.261 -0.081 10.462 1.00 0.00 O ATOM 302 CB ILE A 22 4.054 -1.486 9.008 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.964 -2.619 8.526 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.675 -1.606 8.387 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.531 -3.996 8.977 1.00 0.00 C ATOM 0 H ILE A 22 4.854 -0.674 6.647 1.00 0.00 H new ATOM 0 HA ILE A 22 4.036 0.662 9.105 1.00 0.00 H new ATOM 0 HB ILE A 22 3.960 -1.568 10.091 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.002 -2.601 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.977 -2.434 8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.249 -2.579 8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.030 -0.819 8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.754 -1.507 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.228 -4.741 8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.521 -4.036 10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.531 -4.206 8.597 1.00 0.00 H new ATOM 317 N LYS A 23 7.048 0.011 8.355 1.00 0.00 N ATOM 318 CA LYS A 23 8.453 0.060 8.728 1.00 0.00 C ATOM 319 C LYS A 23 9.185 0.932 7.733 1.00 0.00 C ATOM 320 O LYS A 23 8.572 1.503 6.832 1.00 0.00 O ATOM 321 CB LYS A 23 9.088 -1.335 8.692 1.00 0.00 C ATOM 322 CG LYS A 23 8.305 -2.415 9.409 1.00 0.00 C ATOM 323 CD LYS A 23 8.889 -3.785 9.126 1.00 0.00 C ATOM 324 CE LYS A 23 10.298 -3.930 9.681 1.00 0.00 C ATOM 325 NZ LYS A 23 10.344 -3.735 11.155 1.00 0.00 N ATOM 0 H LYS A 23 6.887 0.032 7.348 1.00 0.00 H new ATOM 0 HA LYS A 23 8.526 0.456 9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.217 -1.632 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.083 -1.276 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.315 -2.225 10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.263 -2.387 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.247 -4.550 9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.904 -3.957 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.684 -4.919 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.953 -3.204 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.270 -4.039 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.199 -2.729 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.595 -4.300 11.603 1.00 0.00 H new ATOM 339 N ASP A 24 10.491 1.014 7.882 1.00 0.00 N ATOM 340 CA ASP A 24 11.321 1.669 6.887 1.00 0.00 C ATOM 341 C ASP A 24 11.939 0.608 5.987 1.00 0.00 C ATOM 342 O ASP A 24 12.797 -0.168 6.420 1.00 0.00 O ATOM 343 CB ASP A 24 12.431 2.502 7.535 1.00 0.00 C ATOM 344 CG ASP A 24 11.974 3.259 8.761 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.095 4.130 8.644 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.511 2.991 9.858 1.00 0.00 O ATOM 0 H ASP A 24 11.002 0.637 8.680 1.00 0.00 H new ATOM 0 HA ASP A 24 10.694 2.346 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.256 1.844 7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.818 3.210 6.803 1.00 0.00 H new ATOM 351 N LEU A 25 11.476 0.552 4.750 1.00 0.00 N ATOM 352 CA LEU A 25 11.946 -0.447 3.799 1.00 0.00 C ATOM 353 C LEU A 25 12.787 0.219 2.719 1.00 0.00 C ATOM 354 O LEU A 25 12.280 0.993 1.910 1.00 0.00 O ATOM 355 CB LEU A 25 10.770 -1.200 3.157 1.00 0.00 C ATOM 356 CG LEU A 25 10.047 -2.239 4.037 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.995 -3.332 4.500 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.379 -1.592 5.237 1.00 0.00 C ATOM 0 H LEU A 25 10.772 1.189 4.377 1.00 0.00 H new ATOM 0 HA LEU A 25 12.557 -1.169 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.036 -0.465 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.138 -1.707 2.265 1.00 0.00 H new ATOM 0 HG LEU A 25 9.273 -2.690 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.452 -4.047 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.411 -3.844 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.803 -2.890 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.880 -2.357 5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.131 -1.091 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.645 -0.862 4.895 1.00 0.00 H new ATOM 511 N LYS A 35 10.270 5.142 4.258 1.00 0.00 N ATOM 512 CA LYS A 35 10.179 5.294 5.698 1.00 0.00 C ATOM 513 C LYS A 35 8.814 4.881 6.209 1.00 0.00 C ATOM 514 O LYS A 35 7.842 4.820 5.456 1.00 0.00 O ATOM 515 CB LYS A 35 10.468 6.740 6.099 1.00 0.00 C ATOM 516 CG LYS A 35 11.950 7.090 6.115 1.00 0.00 C ATOM 517 CD LYS A 35 12.656 6.472 7.311 1.00 0.00 C ATOM 518 CE LYS A 35 12.068 6.957 8.631 1.00 0.00 C ATOM 519 NZ LYS A 35 12.602 6.191 9.786 1.00 0.00 N ATOM 0 HA LYS A 35 10.925 4.640 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.954 7.408 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.051 6.923 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.417 6.740 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.069 8.173 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.579 5.386 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.717 6.719 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.292 8.016 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.983 6.862 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.714 6.826 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.941 5.426 10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.525 5.783 9.535 1.00 0.00 H new ATOM 533 N ARG A 36 8.757 4.594 7.491 1.00 0.00 N ATOM 534 CA ARG A 36 7.520 4.229 8.146 1.00 0.00 C ATOM 535 C ARG A 36 6.501 5.355 8.025 1.00 0.00 C ATOM 536 O ARG A 36 6.814 6.518 8.286 1.00 0.00 O ATOM 537 CB ARG A 36 7.792 3.923 9.612 1.00 0.00 C ATOM 538 CG ARG A 36 6.619 3.289 10.330 1.00 0.00 C ATOM 539 CD ARG A 36 7.044 2.771 11.685 1.00 0.00 C ATOM 540 NE ARG A 36 5.965 2.069 12.375 1.00 0.00 N ATOM 541 CZ ARG A 36 5.223 2.603 13.346 1.00 0.00 C ATOM 542 NH1 ARG A 36 5.372 3.880 13.675 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.316 1.860 13.966 1.00 0.00 N ATOM 0 H ARG A 36 9.568 4.607 8.109 1.00 0.00 H new ATOM 0 HA ARG A 36 7.110 3.342 7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.652 3.257 9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.063 4.847 10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.819 4.020 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.217 2.471 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.893 2.098 11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.383 3.605 12.300 1.00 0.00 H new ATOM 0 HE ARG A 36 5.766 1.108 12.096 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.056 4.457 13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.803 4.285 14.418 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.188 0.884 13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.747 2.265 14.709 1.00 0.00 H new ATOM 557 N GLY A 37 5.290 5.008 7.627 1.00 0.00 N ATOM 558 CA GLY A 37 4.256 6.009 7.453 1.00 0.00 C ATOM 559 C GLY A 37 4.105 6.466 6.012 1.00 0.00 C ATOM 560 O GLY A 37 3.227 7.272 5.708 1.00 0.00 O ATOM 0 H GLY A 37 5.002 4.052 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.305 5.605 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.484 6.871 8.079 1.00 0.00 H new ATOM 564 N THR A 38 4.959 5.965 5.122 1.00 0.00 N ATOM 565 CA THR A 38 4.857 6.302 3.706 1.00 0.00 C ATOM 566 C THR A 38 3.557 5.760 3.124 1.00 0.00 C ATOM 567 O THR A 38 3.364 4.546 3.044 1.00 0.00 O ATOM 568 CB THR A 38 6.047 5.746 2.896 1.00 0.00 C ATOM 569 OG1 THR A 38 7.275 6.272 3.417 1.00 0.00 O ATOM 570 CG2 THR A 38 5.928 6.109 1.422 1.00 0.00 C ATOM 0 H THR A 38 5.723 5.330 5.354 1.00 0.00 H new ATOM 0 HA THR A 38 4.871 7.389 3.633 1.00 0.00 H new ATOM 0 HB THR A 38 6.039 4.660 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.724 5.585 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.781 5.704 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.007 5.690 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.911 7.194 1.315 1.00 0.00 H new ATOM 578 N MET A 39 2.667 6.658 2.736 1.00 0.00 N ATOM 579 CA MET A 39 1.381 6.261 2.200 1.00 0.00 C ATOM 580 C MET A 39 1.474 5.924 0.725 1.00 0.00 C ATOM 581 O MET A 39 1.890 6.742 -0.099 1.00 0.00 O ATOM 582 CB MET A 39 0.326 7.346 2.416 1.00 0.00 C ATOM 583 CG MET A 39 -0.965 7.080 1.651 1.00 0.00 C ATOM 584 SD MET A 39 -2.316 8.156 2.152 1.00 0.00 S ATOM 585 CE MET A 39 -2.630 7.520 3.795 1.00 0.00 C ATOM 0 H MET A 39 2.814 7.666 2.783 1.00 0.00 H new ATOM 0 HA MET A 39 1.077 5.366 2.743 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.103 7.421 3.480 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.734 8.308 2.107 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.782 7.210 0.584 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.261 6.042 1.800 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.666 7.717 4.069 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.449 6.445 3.810 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.967 8.010 4.508 1.00 0.00 H new ATOM 595 N ILE A 40 1.081 4.709 0.412 1.00 0.00 N ATOM 596 CA ILE A 40 0.961 4.265 -0.963 1.00 0.00 C ATOM 597 C ILE A 40 -0.511 4.033 -1.281 1.00 0.00 C ATOM 598 O ILE A 40 -1.064 2.972 -0.997 1.00 0.00 O ATOM 599 CB ILE A 40 1.761 2.971 -1.227 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.228 3.157 -0.823 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.658 2.569 -2.694 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.072 1.916 -1.014 1.00 0.00 C ATOM 0 H ILE A 40 0.835 3.999 1.102 1.00 0.00 H new ATOM 0 HA ILE A 40 1.375 5.040 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 40 1.334 2.172 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.657 3.971 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.272 3.459 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.228 1.655 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.613 2.397 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.060 3.367 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.097 2.123 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.669 1.105 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.059 1.625 -2.064 1.00 0.00 H new ATOM 614 N ARG A 41 -1.160 5.048 -1.825 1.00 0.00 N ATOM 615 CA ARG A 41 -2.574 4.947 -2.149 1.00 0.00 C ATOM 616 C ARG A 41 -2.770 4.724 -3.641 1.00 0.00 C ATOM 617 O ARG A 41 -1.958 5.165 -4.453 1.00 0.00 O ATOM 618 CB ARG A 41 -3.355 6.179 -1.649 1.00 0.00 C ATOM 619 CG ARG A 41 -2.704 7.533 -1.925 1.00 0.00 C ATOM 620 CD ARG A 41 -2.740 7.906 -3.402 1.00 0.00 C ATOM 621 NE ARG A 41 -2.339 9.292 -3.631 1.00 0.00 N ATOM 622 CZ ARG A 41 -1.155 9.663 -4.117 1.00 0.00 C ATOM 623 NH1 ARG A 41 -0.237 8.750 -4.422 1.00 0.00 N ATOM 624 NH2 ARG A 41 -0.898 10.951 -4.301 1.00 0.00 N ATOM 0 H ARG A 41 -0.734 5.947 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.979 4.080 -1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.343 6.171 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.503 6.080 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.214 8.303 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.669 7.511 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.079 7.242 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.747 7.752 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.011 10.025 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.437 7.759 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.667 9.040 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.604 11.650 -4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.006 11.243 -4.673 1.00 0.00 H new ATOM 638 N GLY A 42 -3.836 4.027 -3.990 1.00 0.00 N ATOM 639 CA GLY A 42 -4.073 3.684 -5.373 1.00 0.00 C ATOM 640 C GLY A 42 -3.415 2.373 -5.727 1.00 0.00 C ATOM 641 O GLY A 42 -2.787 2.245 -6.778 1.00 0.00 O ATOM 0 H GLY A 42 -4.544 3.691 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.145 3.617 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.688 4.474 -6.018 1.00 0.00 H new ATOM 645 N ILE A 43 -3.539 1.401 -4.832 1.00 0.00 N ATOM 646 CA ILE A 43 -2.943 0.094 -5.050 1.00 0.00 C ATOM 647 C ILE A 43 -3.933 -0.828 -5.742 1.00 0.00 C ATOM 648 O ILE A 43 -5.123 -0.526 -5.830 1.00 0.00 O ATOM 649 CB ILE A 43 -2.446 -0.553 -3.729 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.608 -0.908 -2.792 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.478 0.379 -3.024 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.072 -2.347 -2.901 1.00 0.00 C ATOM 0 H ILE A 43 -4.046 1.495 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.073 0.239 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.936 -1.481 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.305 -0.712 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.449 -0.249 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.135 -0.084 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.623 0.573 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.980 1.319 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.895 -2.517 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.409 -2.545 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.246 -3.015 -2.656 1.00 0.00 H new ATOM 664 N ARG A 44 -3.435 -1.943 -6.232 1.00 0.00 N ATOM 665 CA ARG A 44 -4.254 -2.922 -6.916 1.00 0.00 C ATOM 666 C ARG A 44 -3.708 -4.318 -6.653 1.00 0.00 C ATOM 667 O ARG A 44 -2.530 -4.477 -6.323 1.00 0.00 O ATOM 668 CB ARG A 44 -4.293 -2.614 -8.417 1.00 0.00 C ATOM 669 CG ARG A 44 -2.923 -2.364 -9.029 1.00 0.00 C ATOM 670 CD ARG A 44 -2.449 -3.540 -9.863 1.00 0.00 C ATOM 671 NE ARG A 44 -3.270 -3.728 -11.058 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.834 -3.516 -12.299 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.607 -3.055 -12.507 1.00 0.00 N ATOM 674 NH2 ARG A 44 -3.631 -3.750 -13.332 1.00 0.00 N ATOM 0 H ARG A 44 -2.449 -2.197 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.275 -2.876 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.766 -3.447 -8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.920 -1.738 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.962 -1.470 -9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.202 -2.168 -8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.411 -3.382 -10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.474 -4.447 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.233 -4.040 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.994 -2.862 -11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.277 -2.894 -13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.579 -4.093 -13.177 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.296 -3.587 -14.282 1.00 0.00 H new ATOM 688 N LEU A 45 -4.560 -5.319 -6.789 1.00 0.00 N ATOM 689 CA LEU A 45 -4.177 -6.689 -6.484 1.00 0.00 C ATOM 690 C LEU A 45 -3.491 -7.330 -7.679 1.00 0.00 C ATOM 691 O LEU A 45 -3.657 -6.885 -8.815 1.00 0.00 O ATOM 692 CB LEU A 45 -5.402 -7.519 -6.088 1.00 0.00 C ATOM 693 CG LEU A 45 -6.251 -6.945 -4.953 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.347 -7.922 -4.561 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.390 -6.593 -3.751 1.00 0.00 C ATOM 0 H LEU A 45 -5.522 -5.210 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.481 -6.664 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.036 -7.640 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.066 -8.515 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.718 -6.027 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.941 -7.497 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.989 -8.113 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.898 -8.858 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.019 -6.187 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.885 -7.489 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.647 -5.850 -4.041 1.00 0.00 H new ATOM 707 N THR A 46 -2.720 -8.370 -7.420 1.00 0.00 N ATOM 708 CA THR A 46 -2.056 -9.104 -8.480 1.00 0.00 C ATOM 709 C THR A 46 -2.556 -10.545 -8.482 1.00 0.00 C ATOM 710 O THR A 46 -3.605 -10.837 -7.906 1.00 0.00 O ATOM 711 CB THR A 46 -0.521 -9.079 -8.306 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.149 -9.646 -7.040 1.00 0.00 O ATOM 713 CG2 THR A 46 0.021 -7.659 -8.406 1.00 0.00 C ATOM 0 H THR A 46 -2.538 -8.726 -6.482 1.00 0.00 H new ATOM 0 HA THR A 46 -2.291 -8.627 -9.431 1.00 0.00 H new ATOM 0 HB THR A 46 -0.088 -9.675 -9.110 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.392 -9.027 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.104 -7.673 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.225 -7.244 -9.383 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.427 -7.043 -7.627 1.00 0.00 H new ATOM 721 N ASP A 47 -1.825 -11.439 -9.132 1.00 0.00 N ATOM 722 CA ASP A 47 -2.152 -12.860 -9.078 1.00 0.00 C ATOM 723 C ASP A 47 -1.746 -13.417 -7.720 1.00 0.00 C ATOM 724 O ASP A 47 -2.190 -14.485 -7.299 1.00 0.00 O ATOM 725 CB ASP A 47 -1.437 -13.621 -10.197 1.00 0.00 C ATOM 726 CG ASP A 47 -1.860 -15.074 -10.274 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.966 -15.344 -10.793 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.087 -15.957 -9.843 1.00 0.00 O ATOM 0 H ASP A 47 -1.008 -11.211 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.226 -12.984 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.642 -13.135 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.360 -13.568 -10.038 1.00 0.00 H new ATOM 733 N SER A 48 -0.908 -12.659 -7.037 1.00 0.00 N ATOM 734 CA SER A 48 -0.387 -13.036 -5.744 1.00 0.00 C ATOM 735 C SER A 48 -1.327 -12.590 -4.628 1.00 0.00 C ATOM 736 O SER A 48 -1.950 -11.532 -4.717 1.00 0.00 O ATOM 737 CB SER A 48 0.975 -12.380 -5.572 1.00 0.00 C ATOM 738 OG SER A 48 1.831 -12.698 -6.659 1.00 0.00 O ATOM 0 H SER A 48 -0.569 -11.757 -7.371 1.00 0.00 H new ATOM 0 HA SER A 48 -0.297 -14.121 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.856 -11.299 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.428 -12.712 -4.638 1.00 0.00 H new ATOM 0 HG SER A 48 2.700 -12.265 -6.529 1.00 0.00 H new ATOM 744 N GLU A 49 -1.419 -13.394 -3.576 1.00 0.00 N ATOM 745 CA GLU A 49 -2.244 -13.050 -2.423 1.00 0.00 C ATOM 746 C GLU A 49 -1.407 -12.303 -1.397 1.00 0.00 C ATOM 747 O GLU A 49 -1.925 -11.717 -0.447 1.00 0.00 O ATOM 748 CB GLU A 49 -2.810 -14.306 -1.768 1.00 0.00 C ATOM 749 CG GLU A 49 -3.428 -15.283 -2.741 1.00 0.00 C ATOM 750 CD GLU A 49 -4.062 -16.457 -2.030 1.00 0.00 C ATOM 751 OE1 GLU A 49 -5.124 -16.272 -1.406 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.490 -17.564 -2.078 1.00 0.00 O ATOM 0 H GLU A 49 -0.934 -14.288 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.066 -12.424 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.012 -14.809 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.563 -14.014 -1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.181 -14.772 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.663 -15.644 -3.429 1.00 0.00 H new ATOM 759 N ASP A 50 -0.101 -12.355 -1.589 1.00 0.00 N ATOM 760 CA ASP A 50 0.836 -11.762 -0.651 1.00 0.00 C ATOM 761 C ASP A 50 1.510 -10.542 -1.261 1.00 0.00 C ATOM 762 O ASP A 50 2.250 -9.823 -0.589 1.00 0.00 O ATOM 763 CB ASP A 50 1.883 -12.798 -0.242 1.00 0.00 C ATOM 764 CG ASP A 50 1.291 -13.945 0.554 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.166 -13.816 1.789 1.00 0.00 O ATOM 766 OD2 ASP A 50 0.951 -14.982 -0.055 1.00 0.00 O ATOM 0 H ASP A 50 0.337 -12.805 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 50 0.288 -11.439 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.366 -13.193 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.658 -12.311 0.351 1.00 0.00 H new ATOM 771 N GLU A 51 1.238 -10.304 -2.534 1.00 0.00 N ATOM 772 CA GLU A 51 1.831 -9.181 -3.243 1.00 0.00 C ATOM 773 C GLU A 51 0.758 -8.288 -3.839 1.00 0.00 C ATOM 774 O GLU A 51 -0.289 -8.756 -4.286 1.00 0.00 O ATOM 775 CB GLU A 51 2.748 -9.648 -4.373 1.00 0.00 C ATOM 776 CG GLU A 51 4.127 -10.130 -3.938 1.00 0.00 C ATOM 777 CD GLU A 51 4.108 -11.449 -3.192 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.489 -12.416 -3.686 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.752 -11.535 -2.129 1.00 0.00 O ATOM 0 H GLU A 51 0.609 -10.875 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 51 2.416 -8.625 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.252 -10.456 -4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.874 -8.827 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.761 -10.231 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.583 -9.371 -3.303 1.00 0.00 H new ATOM 786 N ILE A 52 1.044 -7.004 -3.855 1.00 0.00 N ATOM 787 CA ILE A 52 0.187 -6.025 -4.502 1.00 0.00 C ATOM 788 C ILE A 52 1.038 -5.063 -5.306 1.00 0.00 C ATOM 789 O ILE A 52 2.260 -5.127 -5.267 1.00 0.00 O ATOM 790 CB ILE A 52 -0.648 -5.193 -3.506 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.257 -4.533 -2.464 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.704 -6.050 -2.834 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.359 -3.310 -1.826 1.00 0.00 C ATOM 0 H ILE A 52 1.877 -6.606 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.500 -6.589 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.157 -4.408 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.494 -5.259 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.199 -4.253 -2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.278 -5.440 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.372 -6.464 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.222 -6.863 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.335 -2.891 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.571 -2.566 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.286 -3.589 -1.325 1.00 0.00 H new ATOM 805 N GLU A 53 0.392 -4.177 -6.026 1.00 0.00 N ATOM 806 CA GLU A 53 1.084 -3.145 -6.760 1.00 0.00 C ATOM 807 C GLU A 53 0.439 -1.803 -6.457 1.00 0.00 C ATOM 808 O GLU A 53 -0.779 -1.709 -6.400 1.00 0.00 O ATOM 809 CB GLU A 53 0.993 -3.448 -8.244 1.00 0.00 C ATOM 810 CG GLU A 53 1.771 -2.484 -9.123 1.00 0.00 C ATOM 811 CD GLU A 53 1.421 -2.625 -10.585 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.340 -2.150 -10.981 1.00 0.00 O ATOM 813 OE2 GLU A 53 2.220 -3.202 -11.349 1.00 0.00 O ATOM 0 H GLU A 53 -0.623 -4.151 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 53 2.133 -3.111 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.359 -4.460 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.055 -3.431 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.571 -1.462 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.839 -2.657 -8.990 1.00 0.00 H new ATOM 820 N GLY A 54 1.239 -0.774 -6.250 1.00 0.00 N ATOM 821 CA GLY A 54 0.677 0.518 -5.918 1.00 0.00 C ATOM 822 C GLY A 54 1.404 1.658 -6.588 1.00 0.00 C ATOM 823 O GLY A 54 2.213 1.440 -7.491 1.00 0.00 O ATOM 0 H GLY A 54 2.257 -0.806 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.373 0.539 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.709 0.657 -4.837 1.00 0.00 H new ATOM 827 N ARG A 55 1.120 2.874 -6.151 1.00 0.00 N ATOM 828 CA ARG A 55 1.737 4.060 -6.722 1.00 0.00 C ATOM 829 C ARG A 55 1.971 5.108 -5.639 1.00 0.00 C ATOM 830 O ARG A 55 1.155 5.281 -4.730 1.00 0.00 O ATOM 831 CB ARG A 55 0.859 4.627 -7.839 1.00 0.00 C ATOM 832 CG ARG A 55 -0.503 5.100 -7.369 1.00 0.00 C ATOM 833 CD ARG A 55 -1.395 5.482 -8.537 1.00 0.00 C ATOM 834 NE ARG A 55 -1.689 4.335 -9.398 1.00 0.00 N ATOM 835 CZ ARG A 55 -2.865 4.126 -9.993 1.00 0.00 C ATOM 836 NH1 ARG A 55 -3.870 4.974 -9.806 1.00 0.00 N ATOM 837 NH2 ARG A 55 -3.036 3.058 -10.763 1.00 0.00 N ATOM 0 H ARG A 55 0.461 3.066 -5.397 1.00 0.00 H new ATOM 0 HA ARG A 55 2.702 3.784 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.380 5.461 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.723 3.863 -8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.982 4.312 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.383 5.957 -6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.328 5.901 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.910 6.262 -9.124 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.948 3.652 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.745 5.789 -9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.767 4.810 -10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.269 2.399 -10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.934 2.896 -11.219 1.00 0.00 H new ATOM 918 N LYS A 60 5.513 4.955 -9.416 1.00 0.00 N ATOM 919 CA LYS A 60 4.187 4.472 -9.760 1.00 0.00 C ATOM 920 C LYS A 60 4.269 3.061 -10.314 1.00 0.00 C ATOM 921 O LYS A 60 5.232 2.704 -10.994 1.00 0.00 O ATOM 922 CB LYS A 60 3.494 5.418 -10.754 1.00 0.00 C ATOM 923 CG LYS A 60 4.380 5.857 -11.908 1.00 0.00 C ATOM 924 CD LYS A 60 4.445 4.824 -13.027 1.00 0.00 C ATOM 925 CE LYS A 60 3.120 4.683 -13.764 1.00 0.00 C ATOM 926 NZ LYS A 60 2.743 5.930 -14.484 1.00 0.00 N ATOM 0 HA LYS A 60 3.583 4.450 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.610 4.923 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.148 6.302 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.006 6.799 -12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.387 6.047 -11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.223 5.108 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.730 3.858 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.188 3.860 -14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.336 4.425 -13.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.963 5.729 -15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.439 6.649 -13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.563 6.285 -15.017 1.00 0.00 H new ATOM 940 N GLY A 61 3.268 2.264 -9.998 1.00 0.00 N ATOM 941 CA GLY A 61 3.216 0.901 -10.482 1.00 0.00 C ATOM 942 C GLY A 61 4.351 0.044 -9.957 1.00 0.00 C ATOM 943 O GLY A 61 5.024 -0.642 -10.728 1.00 0.00 O ATOM 0 H GLY A 61 2.481 2.537 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.265 0.454 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.246 0.906 -11.572 1.00 0.00 H new ATOM 947 N LEU A 62 4.578 0.082 -8.650 1.00 0.00 N ATOM 948 CA LEU A 62 5.596 -0.759 -8.049 1.00 0.00 C ATOM 949 C LEU A 62 4.931 -1.911 -7.304 1.00 0.00 C ATOM 950 O LEU A 62 3.953 -1.715 -6.576 1.00 0.00 O ATOM 951 CB LEU A 62 6.529 0.039 -7.115 1.00 0.00 C ATOM 952 CG LEU A 62 5.993 0.368 -5.718 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.123 0.862 -4.829 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.890 1.414 -5.778 1.00 0.00 C ATOM 0 H LEU A 62 4.075 0.681 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 62 6.221 -1.160 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.456 -0.523 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.784 0.976 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 62 5.572 -0.545 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.732 1.093 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.886 0.088 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.562 1.760 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.532 1.624 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.280 2.329 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.066 1.039 -6.385 1.00 0.00 H new ATOM 966 N VAL A 63 5.450 -3.109 -7.508 1.00 0.00 N ATOM 967 CA VAL A 63 4.869 -4.305 -6.918 1.00 0.00 C ATOM 968 C VAL A 63 5.572 -4.638 -5.613 1.00 0.00 C ATOM 969 O VAL A 63 6.783 -4.861 -5.584 1.00 0.00 O ATOM 970 CB VAL A 63 4.959 -5.514 -7.876 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.251 -6.728 -7.288 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.374 -5.167 -9.236 1.00 0.00 C ATOM 0 H VAL A 63 6.277 -3.281 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 63 3.816 -4.100 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 63 6.012 -5.762 -8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.329 -7.566 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.717 -6.997 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.200 -6.491 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.447 -6.032 -9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.327 -4.886 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.928 -4.333 -9.668 1.00 0.00 H new ATOM 982 N LEU A 64 4.807 -4.671 -4.540 1.00 0.00 N ATOM 983 CA LEU A 64 5.359 -4.903 -3.218 1.00 0.00 C ATOM 984 C LEU A 64 4.570 -5.947 -2.456 1.00 0.00 C ATOM 985 O LEU A 64 3.349 -6.044 -2.586 1.00 0.00 O ATOM 986 CB LEU A 64 5.395 -3.601 -2.418 1.00 0.00 C ATOM 987 CG LEU A 64 6.581 -2.697 -2.734 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.373 -1.310 -2.148 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.858 -3.329 -2.199 1.00 0.00 C ATOM 0 H LEU A 64 3.796 -4.539 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 64 6.375 -5.276 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.474 -3.049 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.412 -3.843 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 64 6.668 -2.587 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.232 -0.682 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.471 -0.868 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.267 -1.384 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.706 -2.683 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.776 -3.456 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.007 -4.301 -2.669 1.00 0.00 H new ATOM 1001 N ARG A 65 5.284 -6.739 -1.674 1.00 0.00 N ATOM 1002 CA ARG A 65 4.653 -7.664 -0.751 1.00 0.00 C ATOM 1003 C ARG A 65 3.886 -6.890 0.310 1.00 0.00 C ATOM 1004 O ARG A 65 4.402 -5.943 0.903 1.00 0.00 O ATOM 1005 CB ARG A 65 5.689 -8.570 -0.087 1.00 0.00 C ATOM 1006 CG ARG A 65 6.955 -7.847 0.331 1.00 0.00 C ATOM 1007 CD ARG A 65 7.723 -8.619 1.393 1.00 0.00 C ATOM 1008 NE ARG A 65 8.167 -9.930 0.922 1.00 0.00 N ATOM 1009 CZ ARG A 65 9.416 -10.379 1.043 1.00 0.00 C ATOM 1010 NH1 ARG A 65 10.358 -9.605 1.572 1.00 0.00 N ATOM 1011 NH2 ARG A 65 9.729 -11.598 0.625 1.00 0.00 N ATOM 0 H ARG A 65 6.304 -6.759 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 65 3.963 -8.292 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.241 -9.036 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.951 -9.373 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.592 -7.696 -0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.700 -6.859 0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.590 -8.036 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.091 -8.747 2.272 1.00 0.00 H new ATOM 0 HE ARG A 65 7.480 -10.537 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.126 -8.663 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.313 -9.953 1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.013 -12.194 0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.686 -11.939 0.719 1.00 0.00 H new ATOM 1025 N THR A 66 2.666 -7.313 0.562 1.00 0.00 N ATOM 1026 CA THR A 66 1.785 -6.613 1.483 1.00 0.00 C ATOM 1027 C THR A 66 2.037 -7.066 2.928 1.00 0.00 C ATOM 1028 O THR A 66 1.175 -6.949 3.798 1.00 0.00 O ATOM 1029 CB THR A 66 0.307 -6.847 1.081 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.576 -6.086 1.914 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.052 -8.324 1.160 1.00 0.00 C ATOM 0 H THR A 66 2.255 -8.146 0.140 1.00 0.00 H new ATOM 0 HA THR A 66 1.997 -5.545 1.427 1.00 0.00 H new ATOM 0 HB THR A 66 0.190 -6.514 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.284 -6.669 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.095 -8.461 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.588 -8.891 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.093 -8.680 2.180 1.00 0.00 H new ATOM 1039 N GLU A 67 3.253 -7.531 3.194 1.00 0.00 N ATOM 1040 CA GLU A 67 3.587 -8.076 4.503 1.00 0.00 C ATOM 1041 C GLU A 67 4.054 -6.970 5.425 1.00 0.00 C ATOM 1042 O GLU A 67 4.041 -7.101 6.648 1.00 0.00 O ATOM 1043 CB GLU A 67 4.681 -9.128 4.373 1.00 0.00 C ATOM 1044 CG GLU A 67 4.399 -10.140 3.286 1.00 0.00 C ATOM 1045 CD GLU A 67 5.157 -11.434 3.492 1.00 0.00 C ATOM 1046 OE1 GLU A 67 4.653 -12.312 4.223 1.00 0.00 O ATOM 1047 OE2 GLU A 67 6.269 -11.571 2.947 1.00 0.00 O ATOM 0 H GLU A 67 4.021 -7.541 2.522 1.00 0.00 H new ATOM 0 HA GLU A 67 2.694 -8.540 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.630 -8.634 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.794 -9.647 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.330 -10.349 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.667 -9.715 2.319 1.00 0.00 H new ATOM 1054 N PHE A 68 4.480 -5.884 4.819 1.00 0.00 N ATOM 1055 CA PHE A 68 4.985 -4.746 5.565 1.00 0.00 C ATOM 1056 C PHE A 68 4.162 -3.501 5.262 1.00 0.00 C ATOM 1057 O PHE A 68 4.604 -2.371 5.487 1.00 0.00 O ATOM 1058 CB PHE A 68 6.469 -4.521 5.249 1.00 0.00 C ATOM 1059 CG PHE A 68 6.756 -4.156 3.820 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.748 -2.833 3.419 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.045 -5.133 2.884 1.00 0.00 C ATOM 1062 CE1 PHE A 68 7.017 -2.489 2.109 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.316 -4.795 1.573 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.302 -3.472 1.186 1.00 0.00 C ATOM 0 H PHE A 68 4.488 -5.762 3.806 1.00 0.00 H new ATOM 0 HA PHE A 68 4.893 -4.955 6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.849 -3.730 5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.021 -5.428 5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.529 -2.059 4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.059 -6.171 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.004 -1.452 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.539 -5.567 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.514 -3.206 0.161 1.00 0.00 H new ATOM 1074 N LEU A 69 2.948 -3.710 4.780 1.00 0.00 N ATOM 1075 CA LEU A 69 2.082 -2.603 4.436 1.00 0.00 C ATOM 1076 C LEU A 69 0.843 -2.623 5.308 1.00 0.00 C ATOM 1077 O LEU A 69 0.392 -3.679 5.754 1.00 0.00 O ATOM 1078 CB LEU A 69 1.694 -2.647 2.958 1.00 0.00 C ATOM 1079 CG LEU A 69 2.868 -2.590 1.974 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.382 -2.804 0.550 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.600 -1.261 2.086 1.00 0.00 C ATOM 0 H LEU A 69 2.544 -4.633 4.620 1.00 0.00 H new ATOM 0 HA LEU A 69 2.626 -1.675 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.130 -3.561 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.025 -1.812 2.749 1.00 0.00 H new ATOM 0 HG LEU A 69 3.563 -3.390 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.229 -2.760 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.903 -3.780 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.665 -2.026 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.429 -1.242 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.912 -0.446 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.984 -1.141 3.099 1.00 0.00 H new ATOM 1093 N LYS A 70 0.324 -1.447 5.574 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.848 -1.296 6.410 1.00 0.00 C ATOM 1095 C LYS A 70 -1.957 -0.619 5.623 1.00 0.00 C ATOM 1096 O LYS A 70 -1.718 0.395 4.977 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.497 -0.450 7.637 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.064 -0.994 8.938 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.546 -1.291 8.815 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.140 -1.789 10.118 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.567 -2.165 9.954 1.00 0.00 N ATOM 0 H LYS A 70 0.700 -0.568 5.218 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.188 -2.280 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.588 -0.384 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.867 0.564 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.531 -1.903 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.901 -0.271 9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.071 -0.389 8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.702 -2.039 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.574 -2.650 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.051 -1.014 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.911 -2.611 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.130 -1.313 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.661 -2.834 9.164 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.159 -1.174 5.670 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.298 -0.551 5.017 1.00 0.00 C ATOM 1117 C LYS A 71 -4.581 0.784 5.695 1.00 0.00 C ATOM 1118 O LYS A 71 -4.800 0.842 6.906 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.518 -1.480 5.067 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.697 -1.026 4.214 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.560 -0.002 4.931 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.818 0.324 4.143 1.00 0.00 C ATOM 1123 NZ LYS A 71 -8.520 0.938 2.820 1.00 0.00 N ATOM 0 H LYS A 71 -3.369 -2.049 6.150 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.074 -0.372 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.214 -2.475 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.848 -1.569 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.326 -0.599 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.306 -1.890 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.835 -0.383 5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.985 0.910 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.396 -0.588 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.440 1.005 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.392 1.340 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.814 1.692 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.146 0.212 2.176 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.556 1.850 4.911 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.645 3.201 5.453 1.00 0.00 C ATOM 1139 C ALA A 72 -6.064 3.525 5.898 1.00 0.00 C ATOM 1140 O ALA A 72 -6.306 3.823 7.068 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.160 4.213 4.428 1.00 0.00 C ATOM 0 H ALA A 72 -4.475 1.808 3.895 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.002 3.257 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.232 5.217 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.122 4.001 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.777 4.148 3.532 1.00 0.00 H new