USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 80 HIS : no HD1:sc= -0.156 X(o=-0.17,f=-0.17) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.0172 X(o=-0.17,f=-0.17) USER MOD Single : A 1 MET CE :methyl -175:sc= -6.21! (180deg=-6.26!) USER MOD Single : A 1 MET N :NH3+ -134:sc= 1.1 (180deg=-0.149) USER MOD Single : A 3 MET CE :methyl -136:sc= -0.553 (180deg=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= 1.38 (180deg=-0.378) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 170:sc= -1.76 (180deg=-2.2) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0758 F(o=-1.1,f=-0.076) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 15:sc= -0.155 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -96:sc= 0.738 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.014 (180deg=-0.235) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.637 X(o=-0.64,f=-0.22) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-3.1!) USER MOD Single : A 83 HIS : no HE2:sc= 0.897 K(o=0.9,f=-4!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HE2:sc= -0.744 K(o=-0.74,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.723 14.309 6.185 1.00 72.15 N ATOM 2 CA MET A 1 -3.481 13.049 5.944 1.00 43.24 C ATOM 3 C MET A 1 -2.549 11.824 5.924 1.00 23.24 C ATOM 4 O MET A 1 -1.431 11.884 5.403 1.00 33.11 O ATOM 5 CB MET A 1 -4.256 13.137 4.618 1.00 31.21 C ATOM 6 CG MET A 1 -5.091 11.895 4.309 1.00 32.21 C ATOM 7 SD MET A 1 -6.078 12.052 2.804 1.00 32.45 S ATOM 8 CE MET A 1 -4.799 12.320 1.583 1.00 32.45 C ATOM 0 H1 MET A 1 -3.216 14.879 6.902 1.00 72.15 H new ATOM 0 H2 MET A 1 -1.766 14.080 6.522 1.00 72.15 H new ATOM 0 H3 MET A 1 -2.657 14.850 5.299 1.00 72.15 H new ATOM 0 HA MET A 1 -4.185 12.926 6.767 1.00 43.24 H new ATOM 0 HB2 MET A 1 -4.913 14.007 4.649 1.00 31.21 H new ATOM 0 HB3 MET A 1 -3.549 13.300 3.805 1.00 31.21 H new ATOM 0 HG2 MET A 1 -4.428 11.035 4.212 1.00 32.21 H new ATOM 0 HG3 MET A 1 -5.754 11.693 5.150 1.00 32.21 H new ATOM 0 HE1 MET A 1 -5.257 12.524 0.615 1.00 32.45 H new ATOM 0 HE2 MET A 1 -4.185 13.170 1.880 1.00 32.45 H new ATOM 0 HE3 MET A 1 -4.175 11.430 1.509 1.00 32.45 H new ATOM 20 N GLU A 2 -3.021 10.716 6.496 1.00 13.41 N ATOM 21 CA GLU A 2 -2.265 9.456 6.522 1.00 34.20 C ATOM 22 C GLU A 2 -3.134 8.294 6.014 1.00 74.21 C ATOM 23 O GLU A 2 -4.346 8.277 6.229 1.00 14.43 O ATOM 24 CB GLU A 2 -1.774 9.167 7.948 1.00 21.41 C ATOM 25 CG GLU A 2 -0.853 10.249 8.507 1.00 2.32 C ATOM 26 CD GLU A 2 -0.458 10.005 9.956 1.00 42.41 C ATOM 27 OE1 GLU A 2 -1.215 10.419 10.857 1.00 61.05 O ATOM 28 OE2 GLU A 2 0.604 9.393 10.198 1.00 23.33 O ATOM 0 H GLU A 2 -3.932 10.663 6.952 1.00 13.41 H new ATOM 0 HA GLU A 2 -1.402 9.554 5.863 1.00 34.20 H new ATOM 0 HB2 GLU A 2 -2.636 9.060 8.606 1.00 21.41 H new ATOM 0 HB3 GLU A 2 -1.247 8.213 7.956 1.00 21.41 H new ATOM 0 HG2 GLU A 2 0.047 10.303 7.895 1.00 2.32 H new ATOM 0 HG3 GLU A 2 -1.350 11.216 8.430 1.00 2.32 H new ATOM 35 N MET A 3 -2.516 7.325 5.341 1.00 3.20 N ATOM 36 CA MET A 3 -3.268 6.222 4.723 1.00 52.33 C ATOM 37 C MET A 3 -2.676 4.835 5.049 1.00 14.14 C ATOM 38 O MET A 3 -1.505 4.561 4.774 1.00 52.12 O ATOM 39 CB MET A 3 -3.345 6.433 3.202 1.00 30.13 C ATOM 40 CG MET A 3 -1.992 6.559 2.510 1.00 12.22 C ATOM 41 SD MET A 3 -2.141 6.976 0.763 1.00 23.05 S ATOM 42 CE MET A 3 -3.146 5.616 0.167 1.00 61.35 C ATOM 0 H MET A 3 -1.506 7.276 5.207 1.00 3.20 H new ATOM 0 HA MET A 3 -4.272 6.236 5.148 1.00 52.33 H new ATOM 0 HB2 MET A 3 -3.888 5.598 2.760 1.00 30.13 H new ATOM 0 HB3 MET A 3 -3.926 7.333 3.002 1.00 30.13 H new ATOM 0 HG2 MET A 3 -1.401 7.324 3.013 1.00 12.22 H new ATOM 0 HG3 MET A 3 -1.448 5.620 2.610 1.00 12.22 H new ATOM 0 HE1 MET A 3 -2.740 5.249 -0.776 1.00 61.35 H new ATOM 0 HE2 MET A 3 -3.141 4.811 0.902 1.00 61.35 H new ATOM 0 HE3 MET A 3 -4.169 5.960 0.012 1.00 61.35 H new ATOM 52 N ASP A 4 -3.501 3.977 5.652 1.00 74.21 N ATOM 53 CA ASP A 4 -3.145 2.575 5.906 1.00 10.23 C ATOM 54 C ASP A 4 -3.463 1.683 4.694 1.00 62.32 C ATOM 55 O ASP A 4 -4.537 1.781 4.103 1.00 12.22 O ATOM 56 CB ASP A 4 -3.909 2.040 7.125 1.00 44.01 C ATOM 57 CG ASP A 4 -3.362 2.547 8.444 1.00 15.34 C ATOM 58 OD1 ASP A 4 -3.748 3.653 8.869 1.00 65.22 O ATOM 59 OD2 ASP A 4 -2.553 1.822 9.067 1.00 22.10 O ATOM 0 H ASP A 4 -4.433 4.231 5.978 1.00 74.21 H new ATOM 0 HA ASP A 4 -2.072 2.545 6.095 1.00 10.23 H new ATOM 0 HB2 ASP A 4 -4.958 2.324 7.041 1.00 44.01 H new ATOM 0 HB3 ASP A 4 -3.872 0.951 7.119 1.00 44.01 H new ATOM 64 N ILE A 5 -2.520 0.812 4.344 1.00 73.33 N ATOM 65 CA ILE A 5 -2.713 -0.203 3.299 1.00 4.11 C ATOM 66 C ILE A 5 -2.082 -1.537 3.736 1.00 12.04 C ATOM 67 O ILE A 5 -0.958 -1.569 4.230 1.00 51.20 O ATOM 68 CB ILE A 5 -2.103 0.240 1.937 1.00 73.11 C ATOM 69 CG1 ILE A 5 -2.782 1.529 1.435 1.00 72.12 C ATOM 70 CG2 ILE A 5 -2.230 -0.875 0.897 1.00 1.15 C ATOM 71 CD1 ILE A 5 -2.266 2.018 0.098 1.00 52.23 C ATOM 0 H ILE A 5 -1.596 0.786 4.775 1.00 73.33 H new ATOM 0 HA ILE A 5 -3.787 -0.328 3.161 1.00 4.11 H new ATOM 0 HB ILE A 5 -1.043 0.445 2.088 1.00 73.11 H new ATOM 0 HG12 ILE A 5 -3.855 1.355 1.357 1.00 72.12 H new ATOM 0 HG13 ILE A 5 -2.640 2.315 2.177 1.00 72.12 H new ATOM 0 HG21 ILE A 5 -1.797 -0.543 -0.047 1.00 1.15 H new ATOM 0 HG22 ILE A 5 -1.701 -1.761 1.247 1.00 1.15 H new ATOM 0 HG23 ILE A 5 -3.283 -1.116 0.749 1.00 1.15 H new ATOM 0 HD11 ILE A 5 -2.794 2.929 -0.185 1.00 52.23 H new ATOM 0 HD12 ILE A 5 -1.199 2.226 0.174 1.00 52.23 H new ATOM 0 HD13 ILE A 5 -2.433 1.252 -0.659 1.00 52.23 H new ATOM 83 N ARG A 6 -2.815 -2.633 3.574 1.00 24.22 N ATOM 84 CA ARG A 6 -2.358 -3.951 4.034 1.00 63.35 C ATOM 85 C ARG A 6 -2.545 -5.035 2.957 1.00 25.14 C ATOM 86 O ARG A 6 -3.671 -5.382 2.595 1.00 61.31 O ATOM 87 CB ARG A 6 -3.117 -4.337 5.315 1.00 10.25 C ATOM 88 CG ARG A 6 -2.747 -3.483 6.532 1.00 51.25 C ATOM 89 CD ARG A 6 -3.835 -3.518 7.605 1.00 32.11 C ATOM 90 NE ARG A 6 -3.415 -2.892 8.863 1.00 64.24 N ATOM 91 CZ ARG A 6 -3.069 -1.633 9.006 1.00 52.33 C ATOM 92 NH1 ARG A 6 -3.006 -0.828 7.998 1.00 42.31 N ATOM 93 NH2 ARG A 6 -2.773 -1.179 10.172 1.00 72.32 N ATOM 0 H ARG A 6 -3.732 -2.641 3.127 1.00 24.22 H new ATOM 0 HA ARG A 6 -1.290 -3.884 4.242 1.00 63.35 H new ATOM 0 HB2 ARG A 6 -4.188 -4.249 5.133 1.00 10.25 H new ATOM 0 HB3 ARG A 6 -2.918 -5.384 5.543 1.00 10.25 H new ATOM 0 HG2 ARG A 6 -1.808 -3.841 6.955 1.00 51.25 H new ATOM 0 HG3 ARG A 6 -2.582 -2.453 6.216 1.00 51.25 H new ATOM 0 HD2 ARG A 6 -4.724 -3.010 7.231 1.00 32.11 H new ATOM 0 HD3 ARG A 6 -4.117 -4.553 7.796 1.00 32.11 H new ATOM 0 HE ARG A 6 -3.390 -3.482 9.694 1.00 64.24 H new ATOM 0 HH11 ARG A 6 -3.228 -1.165 7.061 1.00 42.31 H new ATOM 0 HH12 ARG A 6 -2.734 0.145 8.139 1.00 42.31 H new ATOM 0 HH21 ARG A 6 -2.807 -1.796 10.983 1.00 72.32 H new ATOM 0 HH22 ARG A 6 -2.504 -0.202 10.286 1.00 72.32 H new ATOM 107 N PHE A 7 -1.429 -5.561 2.447 1.00 4.24 N ATOM 108 CA PHE A 7 -1.455 -6.644 1.448 1.00 43.35 C ATOM 109 C PHE A 7 -1.360 -8.020 2.128 1.00 45.40 C ATOM 110 O PHE A 7 -0.640 -8.184 3.107 1.00 4.52 O ATOM 111 CB PHE A 7 -0.297 -6.492 0.448 1.00 45.32 C ATOM 112 CG PHE A 7 -0.377 -5.256 -0.414 1.00 54.45 C ATOM 113 CD1 PHE A 7 0.216 -4.069 -0.010 1.00 12.10 C ATOM 114 CD2 PHE A 7 -1.028 -5.291 -1.641 1.00 13.53 C ATOM 115 CE1 PHE A 7 0.155 -2.943 -0.806 1.00 25.11 C ATOM 116 CE2 PHE A 7 -1.089 -4.166 -2.443 1.00 34.11 C ATOM 117 CZ PHE A 7 -0.494 -2.993 -2.026 1.00 61.44 C ATOM 0 H PHE A 7 -0.491 -5.257 2.707 1.00 4.24 H new ATOM 0 HA PHE A 7 -2.402 -6.575 0.913 1.00 43.35 H new ATOM 0 HB2 PHE A 7 0.643 -6.476 0.999 1.00 45.32 H new ATOM 0 HB3 PHE A 7 -0.273 -7.370 -0.198 1.00 45.32 H new ATOM 0 HD1 PHE A 7 0.731 -4.025 0.938 1.00 12.10 H new ATOM 0 HD2 PHE A 7 -1.492 -6.208 -1.973 1.00 13.53 H new ATOM 0 HE1 PHE A 7 0.614 -2.023 -0.476 1.00 25.11 H new ATOM 0 HE2 PHE A 7 -1.601 -4.205 -3.393 1.00 34.11 H new ATOM 0 HZ PHE A 7 -0.535 -2.114 -2.652 1.00 61.44 H new ATOM 127 N ARG A 8 -2.081 -9.005 1.601 1.00 0.14 N ATOM 128 CA ARG A 8 -2.062 -10.363 2.161 1.00 70.24 C ATOM 129 C ARG A 8 -2.120 -11.430 1.055 1.00 0.23 C ATOM 130 O ARG A 8 -3.009 -11.400 0.202 1.00 22.11 O ATOM 131 CB ARG A 8 -3.230 -10.539 3.143 1.00 65.41 C ATOM 132 CG ARG A 8 -3.334 -11.939 3.747 1.00 45.23 C ATOM 133 CD ARG A 8 -4.384 -11.992 4.848 1.00 21.05 C ATOM 134 NE ARG A 8 -4.606 -13.351 5.344 1.00 40.20 N ATOM 135 CZ ARG A 8 -4.596 -13.680 6.607 1.00 25.31 C ATOM 136 NH1 ARG A 8 -4.240 -12.821 7.508 1.00 65.31 N ATOM 137 NH2 ARG A 8 -4.905 -14.884 6.962 1.00 33.53 N ATOM 0 H ARG A 8 -2.687 -8.894 0.788 1.00 0.14 H new ATOM 0 HA ARG A 8 -1.122 -10.498 2.696 1.00 70.24 H new ATOM 0 HB2 ARG A 8 -3.124 -9.814 3.950 1.00 65.41 H new ATOM 0 HB3 ARG A 8 -4.162 -10.308 2.627 1.00 65.41 H new ATOM 0 HG2 ARG A 8 -3.587 -12.656 2.966 1.00 45.23 H new ATOM 0 HG3 ARG A 8 -2.366 -12.236 4.151 1.00 45.23 H new ATOM 0 HD2 ARG A 8 -4.072 -11.353 5.674 1.00 21.05 H new ATOM 0 HD3 ARG A 8 -5.323 -11.588 4.470 1.00 21.05 H new ATOM 0 HE ARG A 8 -4.779 -14.087 4.660 1.00 40.20 H new ATOM 0 HH11 ARG A 8 -3.964 -11.878 7.233 1.00 65.31 H new ATOM 0 HH12 ARG A 8 -4.235 -13.087 8.493 1.00 65.31 H new ATOM 0 HH21 ARG A 8 -5.156 -15.575 6.255 1.00 33.53 H new ATOM 0 HH22 ARG A 8 -4.898 -15.143 7.949 1.00 33.53 H new ATOM 151 N GLY A 9 -1.173 -12.371 1.076 1.00 14.34 N ATOM 152 CA GLY A 9 -1.123 -13.407 0.046 1.00 43.01 C ATOM 153 C GLY A 9 -0.132 -14.532 0.345 1.00 42.35 C ATOM 154 O GLY A 9 0.498 -14.560 1.405 1.00 61.33 O ATOM 0 H GLY A 9 -0.442 -12.436 1.784 1.00 14.34 H new ATOM 0 HA2 GLY A 9 -2.118 -13.835 -0.073 1.00 43.01 H new ATOM 0 HA3 GLY A 9 -0.858 -12.947 -0.906 1.00 43.01 H new ATOM 158 N ASP A 10 0.019 -15.449 -0.608 1.00 11.42 N ATOM 159 CA ASP A 10 0.875 -16.627 -0.434 1.00 51.34 C ATOM 160 C ASP A 10 2.286 -16.404 -1.008 1.00 3.24 C ATOM 161 O ASP A 10 3.289 -16.646 -0.331 1.00 12.13 O ATOM 162 CB ASP A 10 0.213 -17.836 -1.098 1.00 74.11 C ATOM 163 CG ASP A 10 -1.153 -18.132 -0.503 1.00 24.20 C ATOM 164 OD1 ASP A 10 -2.156 -17.551 -0.972 1.00 40.12 O ATOM 165 OD2 ASP A 10 -1.235 -18.945 0.440 1.00 73.33 O ATOM 0 H ASP A 10 -0.443 -15.401 -1.516 1.00 11.42 H new ATOM 0 HA ASP A 10 0.990 -16.809 0.634 1.00 51.34 H new ATOM 0 HB2 ASP A 10 0.111 -17.652 -2.168 1.00 74.11 H new ATOM 0 HB3 ASP A 10 0.855 -18.709 -0.985 1.00 74.11 H new ATOM 170 N ASP A 11 2.357 -15.948 -2.257 1.00 65.00 N ATOM 171 CA ASP A 11 3.641 -15.664 -2.913 1.00 54.35 C ATOM 172 C ASP A 11 4.415 -14.569 -2.161 1.00 52.53 C ATOM 173 O ASP A 11 3.984 -13.417 -2.102 1.00 52.21 O ATOM 174 CB ASP A 11 3.403 -15.250 -4.370 1.00 60.33 C ATOM 175 CG ASP A 11 2.593 -16.285 -5.131 1.00 62.24 C ATOM 176 OD1 ASP A 11 3.171 -17.310 -5.557 1.00 42.51 O ATOM 177 OD2 ASP A 11 1.369 -16.088 -5.296 1.00 73.11 O ATOM 0 H ASP A 11 1.540 -15.765 -2.840 1.00 65.00 H new ATOM 0 HA ASP A 11 4.245 -16.571 -2.896 1.00 54.35 H new ATOM 0 HB2 ASP A 11 2.882 -14.293 -4.394 1.00 60.33 H new ATOM 0 HB3 ASP A 11 4.362 -15.104 -4.867 1.00 60.33 H new ATOM 182 N LEU A 12 5.562 -14.939 -1.589 1.00 52.32 N ATOM 183 CA LEU A 12 6.328 -14.039 -0.719 1.00 64.21 C ATOM 184 C LEU A 12 6.740 -12.737 -1.429 1.00 62.23 C ATOM 185 O LEU A 12 6.519 -11.644 -0.908 1.00 55.20 O ATOM 186 CB LEU A 12 7.573 -14.754 -0.177 1.00 25.23 C ATOM 187 CG LEU A 12 8.386 -13.952 0.852 1.00 52.04 C ATOM 188 CD1 LEU A 12 7.537 -13.637 2.086 1.00 54.04 C ATOM 189 CD2 LEU A 12 9.658 -14.704 1.240 1.00 52.43 C ATOM 0 H LEU A 12 5.984 -15.859 -1.712 1.00 52.32 H new ATOM 0 HA LEU A 12 5.672 -13.764 0.107 1.00 64.21 H new ATOM 0 HB2 LEU A 12 7.264 -15.694 0.280 1.00 25.23 H new ATOM 0 HB3 LEU A 12 8.223 -15.005 -1.015 1.00 25.23 H new ATOM 0 HG LEU A 12 8.679 -13.007 0.395 1.00 52.04 H new ATOM 0 HD11 LEU A 12 8.132 -13.069 2.801 1.00 54.04 H new ATOM 0 HD12 LEU A 12 6.668 -13.050 1.789 1.00 54.04 H new ATOM 0 HD13 LEU A 12 7.206 -14.568 2.547 1.00 54.04 H new ATOM 0 HD21 LEU A 12 10.219 -14.119 1.969 1.00 52.43 H new ATOM 0 HD22 LEU A 12 9.393 -15.668 1.675 1.00 52.43 H new ATOM 0 HD23 LEU A 12 10.272 -14.863 0.353 1.00 52.43 H new ATOM 201 N GLU A 13 7.336 -12.855 -2.614 1.00 11.23 N ATOM 202 CA GLU A 13 7.804 -11.680 -3.366 1.00 52.44 C ATOM 203 C GLU A 13 6.688 -10.657 -3.630 1.00 11.30 C ATOM 204 O GLU A 13 6.960 -9.470 -3.814 1.00 72.31 O ATOM 205 CB GLU A 13 8.457 -12.089 -4.694 1.00 43.22 C ATOM 206 CG GLU A 13 9.783 -12.822 -4.527 1.00 5.15 C ATOM 207 CD GLU A 13 10.660 -12.713 -5.761 1.00 2.33 C ATOM 208 OE1 GLU A 13 11.236 -11.625 -5.981 1.00 11.35 O ATOM 209 OE2 GLU A 13 10.784 -13.700 -6.511 1.00 72.54 O ATOM 0 H GLU A 13 7.508 -13.747 -3.078 1.00 11.23 H new ATOM 0 HA GLU A 13 8.550 -11.199 -2.733 1.00 52.44 H new ATOM 0 HB2 GLU A 13 7.767 -12.727 -5.246 1.00 43.22 H new ATOM 0 HB3 GLU A 13 8.619 -11.197 -5.298 1.00 43.22 H new ATOM 0 HG2 GLU A 13 10.316 -12.414 -3.668 1.00 5.15 H new ATOM 0 HG3 GLU A 13 9.590 -13.873 -4.313 1.00 5.15 H new ATOM 216 N ALA A 14 5.439 -11.116 -3.655 1.00 74.32 N ATOM 217 CA ALA A 14 4.294 -10.229 -3.904 1.00 54.41 C ATOM 218 C ALA A 14 4.279 -9.037 -2.932 1.00 43.03 C ATOM 219 O ALA A 14 3.889 -7.928 -3.301 1.00 64.25 O ATOM 220 CB ALA A 14 2.996 -11.019 -3.799 1.00 44.54 C ATOM 0 H ALA A 14 5.189 -12.094 -3.507 1.00 74.32 H new ATOM 0 HA ALA A 14 4.390 -9.827 -4.912 1.00 54.41 H new ATOM 0 HB1 ALA A 14 2.151 -10.356 -3.984 1.00 44.54 H new ATOM 0 HB2 ALA A 14 2.997 -11.821 -4.537 1.00 44.54 H new ATOM 0 HB3 ALA A 14 2.910 -11.446 -2.800 1.00 44.54 H new ATOM 226 N PHE A 15 4.730 -9.269 -1.699 1.00 65.23 N ATOM 227 CA PHE A 15 4.778 -8.216 -0.679 1.00 32.01 C ATOM 228 C PHE A 15 5.890 -7.194 -0.976 1.00 54.32 C ATOM 229 O PHE A 15 5.614 -6.008 -1.162 1.00 30.53 O ATOM 230 CB PHE A 15 4.988 -8.833 0.714 1.00 41.21 C ATOM 231 CG PHE A 15 3.932 -9.836 1.103 1.00 3.15 C ATOM 232 CD1 PHE A 15 2.662 -9.419 1.471 1.00 21.25 C ATOM 233 CD2 PHE A 15 4.209 -11.196 1.105 1.00 14.04 C ATOM 234 CE1 PHE A 15 1.692 -10.335 1.827 1.00 24.52 C ATOM 235 CE2 PHE A 15 3.242 -12.116 1.460 1.00 21.42 C ATOM 236 CZ PHE A 15 1.983 -11.685 1.823 1.00 43.31 C ATOM 0 H PHE A 15 5.068 -10.177 -1.380 1.00 65.23 H new ATOM 0 HA PHE A 15 3.823 -7.690 -0.699 1.00 32.01 H new ATOM 0 HB2 PHE A 15 5.964 -9.318 0.743 1.00 41.21 H new ATOM 0 HB3 PHE A 15 5.007 -8.034 1.455 1.00 41.21 H new ATOM 0 HD1 PHE A 15 2.428 -8.365 1.479 1.00 21.25 H new ATOM 0 HD2 PHE A 15 5.194 -11.539 0.825 1.00 14.04 H new ATOM 0 HE1 PHE A 15 0.706 -9.996 2.108 1.00 24.52 H new ATOM 0 HE2 PHE A 15 3.471 -13.171 1.453 1.00 21.42 H new ATOM 0 HZ PHE A 15 1.226 -12.402 2.104 1.00 43.31 H new ATOM 246 N GLU A 16 7.144 -7.656 -1.029 1.00 41.42 N ATOM 247 CA GLU A 16 8.293 -6.770 -1.279 1.00 25.40 C ATOM 248 C GLU A 16 8.157 -6.005 -2.609 1.00 73.34 C ATOM 249 O GLU A 16 8.481 -4.821 -2.688 1.00 11.32 O ATOM 250 CB GLU A 16 9.606 -7.575 -1.275 1.00 24.40 C ATOM 251 CG GLU A 16 9.673 -8.657 -2.349 1.00 35.44 C ATOM 252 CD GLU A 16 11.034 -9.334 -2.428 1.00 1.33 C ATOM 253 OE1 GLU A 16 11.940 -8.780 -3.083 1.00 63.22 O ATOM 254 OE2 GLU A 16 11.205 -10.424 -1.852 1.00 31.23 O ATOM 0 H GLU A 16 7.392 -8.637 -0.903 1.00 41.42 H new ATOM 0 HA GLU A 16 8.312 -6.037 -0.472 1.00 25.40 H new ATOM 0 HB2 GLU A 16 10.442 -6.889 -1.412 1.00 24.40 H new ATOM 0 HB3 GLU A 16 9.733 -8.040 -0.297 1.00 24.40 H new ATOM 0 HG2 GLU A 16 8.910 -9.409 -2.147 1.00 35.44 H new ATOM 0 HG3 GLU A 16 9.436 -8.215 -3.317 1.00 35.44 H new ATOM 261 N LYS A 17 7.676 -6.683 -3.651 1.00 62.51 N ATOM 262 CA LYS A 17 7.549 -6.069 -4.981 1.00 73.55 C ATOM 263 C LYS A 17 6.437 -5.005 -5.024 1.00 1.42 C ATOM 264 O LYS A 17 6.623 -3.935 -5.608 1.00 2.52 O ATOM 265 CB LYS A 17 7.315 -7.146 -6.051 1.00 41.05 C ATOM 266 CG LYS A 17 8.517 -8.070 -6.266 1.00 70.23 C ATOM 267 CD LYS A 17 9.766 -7.285 -6.667 1.00 62.01 C ATOM 268 CE LYS A 17 10.957 -8.197 -6.949 1.00 62.15 C ATOM 269 NZ LYS A 17 11.380 -8.967 -5.746 1.00 61.10 N ATOM 0 H LYS A 17 7.368 -7.654 -3.605 1.00 62.51 H new ATOM 0 HA LYS A 17 8.488 -5.559 -5.196 1.00 73.55 H new ATOM 0 HB2 LYS A 17 6.452 -7.747 -5.766 1.00 41.05 H new ATOM 0 HB3 LYS A 17 7.068 -6.660 -6.995 1.00 41.05 H new ATOM 0 HG2 LYS A 17 8.716 -8.628 -5.351 1.00 70.23 H new ATOM 0 HG3 LYS A 17 8.281 -8.800 -7.040 1.00 70.23 H new ATOM 0 HD2 LYS A 17 9.549 -6.690 -7.554 1.00 62.01 H new ATOM 0 HD3 LYS A 17 10.026 -6.588 -5.870 1.00 62.01 H new ATOM 0 HE2 LYS A 17 10.698 -8.891 -7.749 1.00 62.15 H new ATOM 0 HE3 LYS A 17 11.794 -7.597 -7.306 1.00 62.15 H new ATOM 0 HZ1 LYS A 17 12.410 -9.108 -5.769 1.00 61.10 H new ATOM 0 HZ2 LYS A 17 11.122 -8.440 -4.888 1.00 61.10 H new ATOM 0 HZ3 LYS A 17 10.904 -9.892 -5.741 1.00 61.10 H new ATOM 283 N ALA A 18 5.289 -5.292 -4.406 1.00 13.43 N ATOM 284 CA ALA A 18 4.212 -4.297 -4.293 1.00 64.43 C ATOM 285 C ALA A 18 4.671 -3.105 -3.439 1.00 12.12 C ATOM 286 O ALA A 18 4.488 -1.943 -3.812 1.00 22.41 O ATOM 287 CB ALA A 18 2.953 -4.925 -3.702 1.00 42.25 C ATOM 0 H ALA A 18 5.079 -6.194 -3.979 1.00 13.43 H new ATOM 0 HA ALA A 18 3.974 -3.936 -5.294 1.00 64.43 H new ATOM 0 HB1 ALA A 18 2.170 -4.170 -3.628 1.00 42.25 H new ATOM 0 HB2 ALA A 18 2.615 -5.737 -4.346 1.00 42.25 H new ATOM 0 HB3 ALA A 18 3.174 -5.317 -2.709 1.00 42.25 H new ATOM 293 N LEU A 19 5.284 -3.415 -2.295 1.00 45.31 N ATOM 294 CA LEU A 19 5.870 -2.401 -1.411 1.00 63.42 C ATOM 295 C LEU A 19 6.894 -1.534 -2.160 1.00 64.42 C ATOM 296 O LEU A 19 6.911 -0.308 -2.021 1.00 5.12 O ATOM 297 CB LEU A 19 6.543 -3.091 -0.213 1.00 21.03 C ATOM 298 CG LEU A 19 7.286 -2.169 0.767 1.00 70.54 C ATOM 299 CD1 LEU A 19 6.323 -1.199 1.447 1.00 72.10 C ATOM 300 CD2 LEU A 19 8.050 -2.990 1.800 1.00 43.01 C ATOM 0 H LEU A 19 5.389 -4.371 -1.955 1.00 45.31 H new ATOM 0 HA LEU A 19 5.071 -1.748 -1.059 1.00 63.42 H new ATOM 0 HB2 LEU A 19 5.780 -3.638 0.341 1.00 21.03 H new ATOM 0 HB3 LEU A 19 7.250 -3.828 -0.594 1.00 21.03 H new ATOM 0 HG LEU A 19 8.005 -1.579 0.198 1.00 70.54 H new ATOM 0 HD11 LEU A 19 6.876 -0.559 2.135 1.00 72.10 H new ATOM 0 HD12 LEU A 19 5.834 -0.583 0.692 1.00 72.10 H new ATOM 0 HD13 LEU A 19 5.571 -1.761 2.000 1.00 72.10 H new ATOM 0 HD21 LEU A 19 8.570 -2.320 2.485 1.00 43.01 H new ATOM 0 HD22 LEU A 19 7.351 -3.611 2.360 1.00 43.01 H new ATOM 0 HD23 LEU A 19 8.776 -3.626 1.294 1.00 43.01 H new ATOM 312 N LYS A 20 7.736 -2.184 -2.962 1.00 74.41 N ATOM 313 CA LYS A 20 8.760 -1.497 -3.756 1.00 61.42 C ATOM 314 C LYS A 20 8.142 -0.424 -4.664 1.00 3.03 C ATOM 315 O LYS A 20 8.639 0.699 -4.733 1.00 53.35 O ATOM 316 CB LYS A 20 9.541 -2.515 -4.601 1.00 34.11 C ATOM 317 CG LYS A 20 10.679 -1.913 -5.422 1.00 31.44 C ATOM 318 CD LYS A 20 11.791 -1.353 -4.540 1.00 74.24 C ATOM 319 CE LYS A 20 12.925 -0.769 -5.375 1.00 52.11 C ATOM 320 NZ LYS A 20 14.061 -0.311 -4.533 1.00 31.53 N ATOM 0 H LYS A 20 7.730 -3.197 -3.081 1.00 74.41 H new ATOM 0 HA LYS A 20 9.441 -1.000 -3.066 1.00 61.42 H new ATOM 0 HB2 LYS A 20 9.951 -3.279 -3.940 1.00 34.11 H new ATOM 0 HB3 LYS A 20 8.848 -3.016 -5.276 1.00 34.11 H new ATOM 0 HG2 LYS A 20 11.091 -2.675 -6.083 1.00 31.44 H new ATOM 0 HG3 LYS A 20 10.286 -1.119 -6.057 1.00 31.44 H new ATOM 0 HD2 LYS A 20 11.385 -0.582 -3.886 1.00 74.24 H new ATOM 0 HD3 LYS A 20 12.180 -2.143 -3.898 1.00 74.24 H new ATOM 0 HE2 LYS A 20 13.278 -1.520 -6.082 1.00 52.11 H new ATOM 0 HE3 LYS A 20 12.548 0.069 -5.962 1.00 52.11 H new ATOM 0 HZ1 LYS A 20 14.809 0.079 -5.141 1.00 31.53 H new ATOM 0 HZ2 LYS A 20 13.731 0.424 -3.876 1.00 31.53 H new ATOM 0 HZ3 LYS A 20 14.438 -1.115 -3.992 1.00 31.53 H new ATOM 334 N GLU A 21 7.056 -0.775 -5.355 1.00 0.51 N ATOM 335 CA GLU A 21 6.355 0.175 -6.228 1.00 61.15 C ATOM 336 C GLU A 21 5.714 1.319 -5.424 1.00 50.14 C ATOM 337 O GLU A 21 5.753 2.479 -5.839 1.00 65.34 O ATOM 338 CB GLU A 21 5.285 -0.546 -7.065 1.00 13.03 C ATOM 339 CG GLU A 21 5.848 -1.571 -8.043 1.00 45.23 C ATOM 340 CD GLU A 21 6.829 -0.968 -9.041 1.00 2.40 C ATOM 341 OE1 GLU A 21 6.435 -0.053 -9.796 1.00 54.01 O ATOM 342 OE2 GLU A 21 7.993 -1.421 -9.091 1.00 22.24 O ATOM 0 H GLU A 21 6.642 -1.707 -5.329 1.00 0.51 H new ATOM 0 HA GLU A 21 7.097 0.610 -6.898 1.00 61.15 H new ATOM 0 HB2 GLU A 21 4.588 -1.046 -6.392 1.00 13.03 H new ATOM 0 HB3 GLU A 21 4.713 0.196 -7.622 1.00 13.03 H new ATOM 0 HG2 GLU A 21 6.348 -2.362 -7.484 1.00 45.23 H new ATOM 0 HG3 GLU A 21 5.025 -2.036 -8.587 1.00 45.23 H new ATOM 349 N MET A 22 5.134 0.988 -4.269 1.00 42.12 N ATOM 350 CA MET A 22 4.532 2.002 -3.394 1.00 21.42 C ATOM 351 C MET A 22 5.582 3.018 -2.916 1.00 33.51 C ATOM 352 O MET A 22 5.404 4.227 -3.071 1.00 40.21 O ATOM 353 CB MET A 22 3.859 1.341 -2.187 1.00 4.41 C ATOM 354 CG MET A 22 2.703 0.419 -2.553 1.00 74.02 C ATOM 355 SD MET A 22 1.833 -0.202 -1.101 1.00 13.12 S ATOM 356 CE MET A 22 1.224 1.324 -0.388 1.00 73.24 C ATOM 0 H MET A 22 5.067 0.033 -3.917 1.00 42.12 H new ATOM 0 HA MET A 22 3.778 2.534 -3.974 1.00 21.42 H new ATOM 0 HB2 MET A 22 4.605 0.770 -1.635 1.00 4.41 H new ATOM 0 HB3 MET A 22 3.493 2.119 -1.517 1.00 4.41 H new ATOM 0 HG2 MET A 22 2.002 0.956 -3.191 1.00 74.02 H new ATOM 0 HG3 MET A 22 3.082 -0.422 -3.133 1.00 74.02 H new ATOM 0 HE1 MET A 22 0.520 1.096 0.413 1.00 73.24 H new ATOM 0 HE2 MET A 22 2.060 1.896 0.015 1.00 73.24 H new ATOM 0 HE3 MET A 22 0.721 1.910 -1.157 1.00 73.24 H new ATOM 366 N ILE A 23 6.677 2.522 -2.338 1.00 4.11 N ATOM 367 CA ILE A 23 7.786 3.385 -1.913 1.00 12.20 C ATOM 368 C ILE A 23 8.358 4.157 -3.113 1.00 40.43 C ATOM 369 O ILE A 23 8.629 5.353 -3.024 1.00 63.31 O ATOM 370 CB ILE A 23 8.916 2.563 -1.237 1.00 52.00 C ATOM 371 CG1 ILE A 23 8.377 1.843 0.012 1.00 3.51 C ATOM 372 CG2 ILE A 23 10.100 3.463 -0.875 1.00 74.01 C ATOM 373 CD1 ILE A 23 9.403 0.984 0.721 1.00 41.32 C ATOM 0 H ILE A 23 6.822 1.530 -2.153 1.00 4.11 H new ATOM 0 HA ILE A 23 7.390 4.092 -1.184 1.00 12.20 H new ATOM 0 HB ILE A 23 9.268 1.812 -1.945 1.00 52.00 H new ATOM 0 HG12 ILE A 23 7.996 2.587 0.711 1.00 3.51 H new ATOM 0 HG13 ILE A 23 7.533 1.217 -0.278 1.00 3.51 H new ATOM 0 HG21 ILE A 23 10.880 2.866 -0.403 1.00 74.01 H new ATOM 0 HG22 ILE A 23 10.495 3.926 -1.779 1.00 74.01 H new ATOM 0 HG23 ILE A 23 9.769 4.239 -0.185 1.00 74.01 H new ATOM 0 HD11 ILE A 23 8.944 0.512 1.590 1.00 41.32 H new ATOM 0 HD12 ILE A 23 9.767 0.215 0.040 1.00 41.32 H new ATOM 0 HD13 ILE A 23 10.237 1.606 1.045 1.00 41.32 H new ATOM 385 N ARG A 24 8.504 3.459 -4.240 1.00 65.31 N ATOM 386 CA ARG A 24 8.970 4.061 -5.499 1.00 5.02 C ATOM 387 C ARG A 24 8.207 5.360 -5.822 1.00 60.14 C ATOM 388 O ARG A 24 8.811 6.395 -6.107 1.00 12.14 O ATOM 389 CB ARG A 24 8.786 3.045 -6.640 1.00 12.10 C ATOM 390 CG ARG A 24 9.135 3.568 -8.029 1.00 1.40 C ATOM 391 CD ARG A 24 8.779 2.551 -9.111 1.00 54.41 C ATOM 392 NE ARG A 24 9.035 3.066 -10.450 1.00 13.03 N ATOM 393 CZ ARG A 24 8.317 2.777 -11.503 1.00 1.25 C ATOM 394 NH1 ARG A 24 7.327 1.940 -11.430 1.00 30.41 N ATOM 395 NH2 ARG A 24 8.613 3.312 -12.642 1.00 54.15 N ATOM 0 H ARG A 24 8.304 2.461 -4.310 1.00 65.31 H new ATOM 0 HA ARG A 24 10.024 4.317 -5.391 1.00 5.02 H new ATOM 0 HB2 ARG A 24 9.403 2.171 -6.431 1.00 12.10 H new ATOM 0 HB3 ARG A 24 7.749 2.709 -6.644 1.00 12.10 H new ATOM 0 HG2 ARG A 24 8.601 4.500 -8.214 1.00 1.40 H new ATOM 0 HG3 ARG A 24 10.200 3.796 -8.077 1.00 1.40 H new ATOM 0 HD2 ARG A 24 9.357 1.640 -8.956 1.00 54.41 H new ATOM 0 HD3 ARG A 24 7.727 2.280 -9.022 1.00 54.41 H new ATOM 0 HE ARG A 24 9.829 3.695 -10.574 1.00 13.03 H new ATOM 0 HH11 ARG A 24 7.099 1.496 -10.540 1.00 30.41 H new ATOM 0 HH12 ARG A 24 6.777 1.726 -12.262 1.00 30.41 H new ATOM 0 HH21 ARG A 24 9.402 3.954 -12.714 1.00 54.15 H new ATOM 0 HH22 ARG A 24 8.058 3.092 -13.469 1.00 54.15 H new ATOM 409 N GLN A 25 6.878 5.296 -5.773 1.00 51.13 N ATOM 410 CA GLN A 25 6.036 6.472 -6.021 1.00 4.12 C ATOM 411 C GLN A 25 6.045 7.440 -4.824 1.00 1.40 C ATOM 412 O GLN A 25 5.966 8.657 -4.994 1.00 23.22 O ATOM 413 CB GLN A 25 4.600 6.028 -6.339 1.00 11.52 C ATOM 414 CG GLN A 25 4.498 5.098 -7.543 1.00 62.03 C ATOM 415 CD GLN A 25 5.003 5.734 -8.828 1.00 50.10 C ATOM 416 OE1 GLN A 25 6.285 5.588 -9.106 1.00 52.05 O flip ATOM 417 NE2 GLN A 25 4.249 6.353 -9.567 1.00 11.15 N flip ATOM 0 H GLN A 25 6.358 4.444 -5.564 1.00 51.13 H new ATOM 0 HA GLN A 25 6.447 7.006 -6.877 1.00 4.12 H new ATOM 0 HB2 GLN A 25 4.183 5.525 -5.466 1.00 11.52 H new ATOM 0 HB3 GLN A 25 3.988 6.911 -6.521 1.00 11.52 H new ATOM 0 HG2 GLN A 25 5.069 4.191 -7.344 1.00 62.03 H new ATOM 0 HG3 GLN A 25 3.459 4.798 -7.676 1.00 62.03 H new ATOM 0 HE21 GLN A 25 3.263 6.449 -9.325 1.00 11.15 H new ATOM 0 HE22 GLN A 25 4.607 6.773 -10.425 1.00 11.15 H new ATOM 426 N ALA A 26 6.158 6.893 -3.615 1.00 50.25 N ATOM 427 CA ALA A 26 6.147 7.700 -2.385 1.00 33.14 C ATOM 428 C ALA A 26 7.367 8.635 -2.286 1.00 35.03 C ATOM 429 O ALA A 26 7.278 9.725 -1.716 1.00 61.35 O ATOM 430 CB ALA A 26 6.080 6.792 -1.161 1.00 0.24 C ATOM 0 H ALA A 26 6.259 5.891 -3.455 1.00 50.25 H new ATOM 0 HA ALA A 26 5.259 8.331 -2.421 1.00 33.14 H new ATOM 0 HB1 ALA A 26 6.072 7.400 -0.257 1.00 0.24 H new ATOM 0 HB2 ALA A 26 5.171 6.192 -1.202 1.00 0.24 H new ATOM 0 HB3 ALA A 26 6.949 6.134 -1.148 1.00 0.24 H new ATOM 436 N ARG A 27 8.506 8.206 -2.835 1.00 32.15 N ATOM 437 CA ARG A 27 9.728 9.029 -2.836 1.00 23.51 C ATOM 438 C ARG A 27 9.536 10.314 -3.657 1.00 73.52 C ATOM 439 O ARG A 27 10.189 11.329 -3.407 1.00 12.43 O ATOM 440 CB ARG A 27 10.923 8.233 -3.381 1.00 41.14 C ATOM 441 CG ARG A 27 11.182 6.926 -2.637 1.00 64.14 C ATOM 442 CD ARG A 27 12.453 6.231 -3.116 1.00 60.03 C ATOM 443 NE ARG A 27 13.661 6.856 -2.579 1.00 51.30 N ATOM 444 CZ ARG A 27 14.681 7.241 -3.295 1.00 63.31 C ATOM 445 NH1 ARG A 27 14.636 7.214 -4.589 1.00 3.53 N ATOM 446 NH2 ARG A 27 15.738 7.695 -2.707 1.00 51.23 N ATOM 0 H ARG A 27 8.612 7.297 -3.285 1.00 32.15 H new ATOM 0 HA ARG A 27 9.933 9.309 -1.803 1.00 23.51 H new ATOM 0 HB2 ARG A 27 10.751 8.013 -4.435 1.00 41.14 H new ATOM 0 HB3 ARG A 27 11.817 8.854 -3.327 1.00 41.14 H new ATOM 0 HG2 ARG A 27 11.261 7.128 -1.569 1.00 64.14 H new ATOM 0 HG3 ARG A 27 10.332 6.258 -2.773 1.00 64.14 H new ATOM 0 HD2 ARG A 27 12.426 5.183 -2.819 1.00 60.03 H new ATOM 0 HD3 ARG A 27 12.488 6.253 -4.205 1.00 60.03 H new ATOM 0 HE ARG A 27 13.710 7.002 -1.571 1.00 51.30 H new ATOM 0 HH11 ARG A 27 13.794 6.888 -5.063 1.00 3.53 H new ATOM 0 HH12 ARG A 27 15.443 7.519 -5.134 1.00 3.53 H new ATOM 0 HH21 ARG A 27 15.771 7.751 -1.689 1.00 51.23 H new ATOM 0 HH22 ARG A 27 16.539 7.998 -3.261 1.00 51.23 H new ATOM 460 N LYS A 28 8.647 10.250 -4.649 1.00 60.32 N ATOM 461 CA LYS A 28 8.331 11.404 -5.504 1.00 30.14 C ATOM 462 C LYS A 28 7.844 12.608 -4.671 1.00 24.14 C ATOM 463 O LYS A 28 7.960 13.762 -5.093 1.00 15.52 O ATOM 464 CB LYS A 28 7.256 11.006 -6.533 1.00 31.43 C ATOM 465 CG LYS A 28 6.974 12.062 -7.604 1.00 10.25 C ATOM 466 CD LYS A 28 8.185 12.309 -8.501 1.00 74.12 C ATOM 467 CE LYS A 28 8.637 11.036 -9.211 1.00 65.13 C ATOM 468 NZ LYS A 28 9.790 11.285 -10.113 1.00 15.33 N ATOM 0 H LYS A 28 8.127 9.405 -4.885 1.00 60.32 H new ATOM 0 HA LYS A 28 9.242 11.704 -6.021 1.00 30.14 H new ATOM 0 HB2 LYS A 28 7.566 10.084 -7.024 1.00 31.43 H new ATOM 0 HB3 LYS A 28 6.328 10.788 -6.003 1.00 31.43 H new ATOM 0 HG2 LYS A 28 6.130 11.741 -8.215 1.00 10.25 H new ATOM 0 HG3 LYS A 28 6.683 12.996 -7.124 1.00 10.25 H new ATOM 0 HD2 LYS A 28 7.939 13.070 -9.242 1.00 74.12 H new ATOM 0 HD3 LYS A 28 9.007 12.702 -7.902 1.00 74.12 H new ATOM 0 HE2 LYS A 28 8.911 10.285 -8.470 1.00 65.13 H new ATOM 0 HE3 LYS A 28 7.807 10.627 -9.787 1.00 65.13 H new ATOM 0 HZ1 LYS A 28 10.067 10.396 -10.576 1.00 15.33 H new ATOM 0 HZ2 LYS A 28 9.521 11.983 -10.836 1.00 15.33 H new ATOM 0 HZ3 LYS A 28 10.591 11.651 -9.560 1.00 15.33 H new ATOM 482 N PHE A 29 7.296 12.325 -3.488 1.00 13.13 N ATOM 483 CA PHE A 29 6.814 13.364 -2.570 1.00 24.32 C ATOM 484 C PHE A 29 7.554 13.296 -1.223 1.00 31.51 C ATOM 485 O PHE A 29 8.257 12.325 -0.933 1.00 34.31 O ATOM 486 CB PHE A 29 5.305 13.199 -2.333 1.00 24.22 C ATOM 487 CG PHE A 29 4.479 13.245 -3.598 1.00 75.34 C ATOM 488 CD1 PHE A 29 4.061 14.458 -4.130 1.00 73.14 C ATOM 489 CD2 PHE A 29 4.125 12.075 -4.259 1.00 23.12 C ATOM 490 CE1 PHE A 29 3.305 14.502 -5.289 1.00 42.15 C ATOM 491 CE2 PHE A 29 3.371 12.115 -5.417 1.00 14.43 C ATOM 492 CZ PHE A 29 2.962 13.328 -5.932 1.00 31.54 C ATOM 0 H PHE A 29 7.173 11.375 -3.138 1.00 13.13 H new ATOM 0 HA PHE A 29 7.009 14.334 -3.027 1.00 24.32 H new ATOM 0 HB2 PHE A 29 5.128 12.249 -1.829 1.00 24.22 H new ATOM 0 HB3 PHE A 29 4.965 13.985 -1.659 1.00 24.22 H new ATOM 0 HD1 PHE A 29 4.329 15.379 -3.633 1.00 73.14 H new ATOM 0 HD2 PHE A 29 4.443 11.122 -3.863 1.00 23.12 H new ATOM 0 HE1 PHE A 29 2.984 15.452 -5.690 1.00 42.15 H new ATOM 0 HE2 PHE A 29 3.102 11.197 -5.918 1.00 14.43 H new ATOM 0 HZ PHE A 29 2.374 13.360 -6.837 1.00 31.54 H new ATOM 502 N ALA A 30 7.393 14.328 -0.402 1.00 2.41 N ATOM 503 CA ALA A 30 7.987 14.344 0.936 1.00 12.41 C ATOM 504 C ALA A 30 7.085 13.610 1.941 1.00 45.21 C ATOM 505 O ALA A 30 6.228 14.216 2.588 1.00 54.11 O ATOM 506 CB ALA A 30 8.246 15.781 1.383 1.00 24.02 C ATOM 0 H ALA A 30 6.858 15.164 -0.636 1.00 2.41 H new ATOM 0 HA ALA A 30 8.942 13.819 0.898 1.00 12.41 H new ATOM 0 HB1 ALA A 30 8.688 15.778 2.379 1.00 24.02 H new ATOM 0 HB2 ALA A 30 8.930 16.262 0.684 1.00 24.02 H new ATOM 0 HB3 ALA A 30 7.305 16.330 1.405 1.00 24.02 H new ATOM 512 N GLY A 31 7.264 12.297 2.049 1.00 31.31 N ATOM 513 CA GLY A 31 6.431 11.499 2.945 1.00 72.03 C ATOM 514 C GLY A 31 7.170 10.323 3.575 1.00 1.54 C ATOM 515 O GLY A 31 8.180 9.854 3.046 1.00 54.00 O ATOM 0 H GLY A 31 7.968 11.768 1.535 1.00 31.31 H new ATOM 0 HA2 GLY A 31 6.044 12.141 3.736 1.00 72.03 H new ATOM 0 HA3 GLY A 31 5.571 11.123 2.390 1.00 72.03 H new ATOM 519 N THR A 32 6.660 9.843 4.707 1.00 23.31 N ATOM 520 CA THR A 32 7.275 8.717 5.430 1.00 52.35 C ATOM 521 C THR A 32 6.444 7.437 5.277 1.00 41.43 C ATOM 522 O THR A 32 5.238 7.442 5.515 1.00 72.52 O ATOM 523 CB THR A 32 7.429 9.031 6.942 1.00 71.30 C ATOM 524 OG1 THR A 32 8.209 10.223 7.119 1.00 13.40 O ATOM 525 CG2 THR A 32 8.099 7.877 7.688 1.00 30.55 C ATOM 0 H THR A 32 5.819 10.214 5.150 1.00 23.31 H new ATOM 0 HA THR A 32 8.261 8.565 4.990 1.00 52.35 H new ATOM 0 HB THR A 32 6.430 9.175 7.353 1.00 71.30 H new ATOM 0 HG1 THR A 32 8.300 10.415 8.076 1.00 13.40 H new ATOM 0 HG21 THR A 32 8.191 8.131 8.744 1.00 30.55 H new ATOM 0 HG22 THR A 32 7.495 6.976 7.583 1.00 30.55 H new ATOM 0 HG23 THR A 32 9.090 7.700 7.270 1.00 30.55 H new ATOM 533 N VAL A 33 7.095 6.344 4.880 1.00 71.42 N ATOM 534 CA VAL A 33 6.417 5.051 4.717 1.00 23.02 C ATOM 535 C VAL A 33 6.865 4.045 5.791 1.00 61.43 C ATOM 536 O VAL A 33 7.999 3.570 5.774 1.00 44.41 O ATOM 537 CB VAL A 33 6.686 4.444 3.314 1.00 73.23 C ATOM 538 CG1 VAL A 33 5.952 3.110 3.138 1.00 11.52 C ATOM 539 CG2 VAL A 33 6.290 5.431 2.219 1.00 43.11 C ATOM 0 H VAL A 33 8.092 6.325 4.664 1.00 71.42 H new ATOM 0 HA VAL A 33 5.349 5.241 4.826 1.00 23.02 H new ATOM 0 HB VAL A 33 7.755 4.248 3.230 1.00 73.23 H new ATOM 0 HG11 VAL A 33 6.159 2.709 2.146 1.00 11.52 H new ATOM 0 HG12 VAL A 33 6.295 2.404 3.894 1.00 11.52 H new ATOM 0 HG13 VAL A 33 4.879 3.268 3.249 1.00 11.52 H new ATOM 0 HG21 VAL A 33 6.486 4.989 1.242 1.00 43.11 H new ATOM 0 HG22 VAL A 33 5.229 5.664 2.306 1.00 43.11 H new ATOM 0 HG23 VAL A 33 6.873 6.346 2.326 1.00 43.11 H new ATOM 549 N THR A 34 5.969 3.732 6.726 1.00 44.52 N ATOM 550 CA THR A 34 6.244 2.744 7.783 1.00 61.22 C ATOM 551 C THR A 34 5.586 1.403 7.441 1.00 50.24 C ATOM 552 O THR A 34 4.403 1.363 7.112 1.00 5.33 O ATOM 553 CB THR A 34 5.703 3.221 9.157 1.00 42.11 C ATOM 554 OG1 THR A 34 4.265 3.200 9.166 1.00 33.24 O ATOM 555 CG2 THR A 34 6.178 4.637 9.476 1.00 61.34 C ATOM 0 H THR A 34 5.039 4.148 6.778 1.00 44.52 H new ATOM 0 HA THR A 34 7.326 2.628 7.845 1.00 61.22 H new ATOM 0 HB THR A 34 6.087 2.537 9.914 1.00 42.11 H new ATOM 0 HG1 THR A 34 3.941 2.669 8.409 1.00 33.24 H new ATOM 0 HG21 THR A 34 5.783 4.944 10.445 1.00 61.34 H new ATOM 0 HG22 THR A 34 7.267 4.657 9.505 1.00 61.34 H new ATOM 0 HG23 THR A 34 5.823 5.322 8.706 1.00 61.34 H new ATOM 563 N TYR A 35 6.330 0.303 7.517 1.00 60.42 N ATOM 564 CA TYR A 35 5.762 -1.006 7.168 1.00 14.52 C ATOM 565 C TYR A 35 6.299 -2.139 8.054 1.00 71.55 C ATOM 566 O TYR A 35 7.422 -2.077 8.559 1.00 10.20 O ATOM 567 CB TYR A 35 6.028 -1.332 5.687 1.00 52.35 C ATOM 568 CG TYR A 35 7.493 -1.576 5.355 1.00 44.20 C ATOM 569 CD1 TYR A 35 8.044 -2.851 5.453 1.00 40.04 C ATOM 570 CD2 TYR A 35 8.320 -0.534 4.938 1.00 30.41 C ATOM 571 CE1 TYR A 35 9.373 -3.082 5.155 1.00 10.15 C ATOM 572 CE2 TYR A 35 9.652 -0.758 4.638 1.00 60.05 C ATOM 573 CZ TYR A 35 10.174 -2.035 4.746 1.00 41.14 C ATOM 574 OH TYR A 35 11.500 -2.266 4.443 1.00 52.24 O ATOM 0 H TYR A 35 7.307 0.284 7.810 1.00 60.42 H new ATOM 0 HA TYR A 35 4.688 -0.937 7.342 1.00 14.52 H new ATOM 0 HB2 TYR A 35 5.453 -2.216 5.412 1.00 52.35 H new ATOM 0 HB3 TYR A 35 5.660 -0.509 5.074 1.00 52.35 H new ATOM 0 HD1 TYR A 35 7.421 -3.675 5.768 1.00 40.04 H new ATOM 0 HD2 TYR A 35 7.915 0.463 4.848 1.00 30.41 H new ATOM 0 HE1 TYR A 35 9.783 -4.077 5.242 1.00 10.15 H new ATOM 0 HE2 TYR A 35 10.282 0.060 4.321 1.00 60.05 H new ATOM 0 HH TYR A 35 11.925 -1.426 4.171 1.00 52.24 H new ATOM 584 N THR A 36 5.472 -3.162 8.258 1.00 71.35 N ATOM 585 CA THR A 36 5.905 -4.402 8.920 1.00 23.45 C ATOM 586 C THR A 36 5.311 -5.641 8.233 1.00 40.34 C ATOM 587 O THR A 36 4.119 -5.679 7.921 1.00 71.02 O ATOM 588 CB THR A 36 5.530 -4.426 10.424 1.00 0.44 C ATOM 589 OG1 THR A 36 5.994 -5.646 11.030 1.00 63.30 O ATOM 590 CG2 THR A 36 4.026 -4.298 10.633 1.00 12.54 C ATOM 0 H THR A 36 4.492 -3.161 7.975 1.00 71.35 H new ATOM 0 HA THR A 36 6.991 -4.427 8.834 1.00 23.45 H new ATOM 0 HB THR A 36 6.013 -3.570 10.895 1.00 0.44 H new ATOM 0 HG1 THR A 36 5.754 -5.651 11.980 1.00 63.30 H new ATOM 0 HG21 THR A 36 3.804 -4.319 11.700 1.00 12.54 H new ATOM 0 HG22 THR A 36 3.679 -3.356 10.208 1.00 12.54 H new ATOM 0 HG23 THR A 36 3.518 -5.127 10.140 1.00 12.54 H new ATOM 598 N LEU A 37 6.141 -6.652 7.980 1.00 43.41 N ATOM 599 CA LEU A 37 5.659 -7.915 7.408 1.00 3.05 C ATOM 600 C LEU A 37 5.383 -8.940 8.522 1.00 11.15 C ATOM 601 O LEU A 37 6.310 -9.495 9.120 1.00 45.44 O ATOM 602 CB LEU A 37 6.678 -8.465 6.399 1.00 71.01 C ATOM 603 CG LEU A 37 6.238 -9.725 5.635 1.00 51.20 C ATOM 604 CD1 LEU A 37 4.901 -9.499 4.930 1.00 52.01 C ATOM 605 CD2 LEU A 37 7.307 -10.143 4.629 1.00 41.43 C ATOM 0 H LEU A 37 7.145 -6.625 8.160 1.00 43.41 H new ATOM 0 HA LEU A 37 4.723 -7.726 6.882 1.00 3.05 H new ATOM 0 HB2 LEU A 37 6.905 -7.683 5.675 1.00 71.01 H new ATOM 0 HB3 LEU A 37 7.604 -8.687 6.929 1.00 71.01 H new ATOM 0 HG LEU A 37 6.108 -10.530 6.359 1.00 51.20 H new ATOM 0 HD11 LEU A 37 4.613 -10.405 4.397 1.00 52.01 H new ATOM 0 HD12 LEU A 37 4.137 -9.254 5.668 1.00 52.01 H new ATOM 0 HD13 LEU A 37 4.998 -8.677 4.221 1.00 52.01 H new ATOM 0 HD21 LEU A 37 6.978 -11.036 4.098 1.00 41.43 H new ATOM 0 HD22 LEU A 37 7.470 -9.336 3.915 1.00 41.43 H new ATOM 0 HD23 LEU A 37 8.238 -10.356 5.155 1.00 41.43 H new ATOM 617 N ASP A 38 4.102 -9.181 8.797 1.00 13.32 N ATOM 618 CA ASP A 38 3.686 -9.998 9.940 1.00 23.51 C ATOM 619 C ASP A 38 2.737 -11.133 9.505 1.00 21.22 C ATOM 620 O ASP A 38 1.652 -10.886 8.978 1.00 23.42 O ATOM 621 CB ASP A 38 3.007 -9.095 10.976 1.00 52.43 C ATOM 622 CG ASP A 38 2.816 -9.780 12.315 1.00 15.12 C ATOM 623 OD1 ASP A 38 3.767 -9.777 13.124 1.00 32.35 O ATOM 624 OD2 ASP A 38 1.719 -10.312 12.570 1.00 14.34 O ATOM 0 H ASP A 38 3.328 -8.820 8.240 1.00 13.32 H new ATOM 0 HA ASP A 38 4.567 -10.465 10.380 1.00 23.51 H new ATOM 0 HB2 ASP A 38 3.606 -8.195 11.115 1.00 52.43 H new ATOM 0 HB3 ASP A 38 2.037 -8.777 10.594 1.00 52.43 H new ATOM 629 N GLY A 39 3.163 -12.375 9.722 1.00 74.40 N ATOM 630 CA GLY A 39 2.344 -13.532 9.368 1.00 51.44 C ATOM 631 C GLY A 39 2.134 -13.678 7.861 1.00 12.23 C ATOM 632 O GLY A 39 3.018 -14.158 7.148 1.00 3.25 O ATOM 0 H GLY A 39 4.065 -12.606 10.139 1.00 74.40 H new ATOM 0 HA2 GLY A 39 2.817 -14.436 9.752 1.00 51.44 H new ATOM 0 HA3 GLY A 39 1.374 -13.447 9.858 1.00 51.44 H new ATOM 636 N ASN A 40 0.963 -13.270 7.379 1.00 34.24 N ATOM 637 CA ASN A 40 0.665 -13.276 5.936 1.00 31.20 C ATOM 638 C ASN A 40 0.291 -11.870 5.443 1.00 12.33 C ATOM 639 O ASN A 40 -0.089 -11.687 4.284 1.00 31.32 O ATOM 640 CB ASN A 40 -0.476 -14.256 5.624 1.00 23.25 C ATOM 641 CG ASN A 40 -0.107 -15.698 5.925 1.00 3.42 C ATOM 642 OD1 ASN A 40 0.426 -16.407 5.078 1.00 31.12 O ATOM 643 ND2 ASN A 40 -0.386 -16.147 7.133 1.00 71.43 N ATOM 0 H ASN A 40 0.199 -12.929 7.962 1.00 34.24 H new ATOM 0 HA ASN A 40 1.565 -13.599 5.413 1.00 31.20 H new ATOM 0 HB2 ASN A 40 -1.355 -13.981 6.206 1.00 23.25 H new ATOM 0 HB3 ASN A 40 -0.749 -14.167 4.573 1.00 23.25 H new ATOM 0 HD21 ASN A 40 -0.158 -17.109 7.385 1.00 71.43 H new ATOM 0 HD22 ASN A 40 -0.830 -15.533 7.816 1.00 71.43 H new ATOM 650 N ASP A 41 0.415 -10.880 6.328 1.00 3.11 N ATOM 651 CA ASP A 41 0.021 -9.502 6.023 1.00 10.23 C ATOM 652 C ASP A 41 1.225 -8.546 6.012 1.00 34.20 C ATOM 653 O ASP A 41 2.123 -8.635 6.853 1.00 12.25 O ATOM 654 CB ASP A 41 -1.002 -9.010 7.055 1.00 25.45 C ATOM 655 CG ASP A 41 -2.311 -9.780 7.005 1.00 71.33 C ATOM 656 OD1 ASP A 41 -2.337 -10.952 7.432 1.00 41.41 O ATOM 657 OD2 ASP A 41 -3.328 -9.204 6.564 1.00 60.42 O ATOM 0 H ASP A 41 0.788 -11.008 7.269 1.00 3.11 H new ATOM 0 HA ASP A 41 -0.419 -9.504 5.026 1.00 10.23 H new ATOM 0 HB2 ASP A 41 -0.573 -9.097 8.053 1.00 25.45 H new ATOM 0 HB3 ASP A 41 -1.202 -7.952 6.885 1.00 25.45 H new ATOM 662 N LEU A 42 1.234 -7.630 5.053 1.00 2.55 N ATOM 663 CA LEU A 42 2.216 -6.549 5.011 1.00 30.33 C ATOM 664 C LEU A 42 1.540 -5.216 5.369 1.00 72.01 C ATOM 665 O LEU A 42 0.827 -4.624 4.551 1.00 33.12 O ATOM 666 CB LEU A 42 2.872 -6.469 3.622 1.00 2.23 C ATOM 667 CG LEU A 42 3.905 -5.341 3.439 1.00 4.45 C ATOM 668 CD1 LEU A 42 5.074 -5.508 4.408 1.00 40.23 C ATOM 669 CD2 LEU A 42 4.399 -5.291 1.996 1.00 25.32 C ATOM 0 H LEU A 42 0.564 -7.613 4.284 1.00 2.55 H new ATOM 0 HA LEU A 42 2.998 -6.754 5.742 1.00 30.33 H new ATOM 0 HB2 LEU A 42 3.360 -7.421 3.415 1.00 2.23 H new ATOM 0 HB3 LEU A 42 2.087 -6.344 2.876 1.00 2.23 H new ATOM 0 HG LEU A 42 3.415 -4.394 3.664 1.00 4.45 H new ATOM 0 HD11 LEU A 42 5.789 -4.699 4.258 1.00 40.23 H new ATOM 0 HD12 LEU A 42 4.704 -5.480 5.433 1.00 40.23 H new ATOM 0 HD13 LEU A 42 5.564 -6.464 4.225 1.00 40.23 H new ATOM 0 HD21 LEU A 42 5.128 -4.487 1.889 1.00 25.32 H new ATOM 0 HD22 LEU A 42 4.866 -6.241 1.738 1.00 25.32 H new ATOM 0 HD23 LEU A 42 3.556 -5.108 1.329 1.00 25.32 H new ATOM 681 N GLU A 43 1.742 -4.776 6.607 1.00 11.04 N ATOM 682 CA GLU A 43 1.129 -3.548 7.121 1.00 74.51 C ATOM 683 C GLU A 43 1.931 -2.317 6.674 1.00 1.22 C ATOM 684 O GLU A 43 3.088 -2.159 7.049 1.00 35.50 O ATOM 685 CB GLU A 43 1.046 -3.638 8.660 1.00 40.13 C ATOM 686 CG GLU A 43 0.327 -2.477 9.355 1.00 30.22 C ATOM 687 CD GLU A 43 1.213 -1.262 9.602 1.00 35.13 C ATOM 688 OE1 GLU A 43 2.315 -1.430 10.169 1.00 73.31 O ATOM 689 OE2 GLU A 43 0.795 -0.133 9.269 1.00 32.34 O ATOM 0 H GLU A 43 2.334 -5.257 7.284 1.00 11.04 H new ATOM 0 HA GLU A 43 0.122 -3.441 6.718 1.00 74.51 H new ATOM 0 HB2 GLU A 43 0.539 -4.566 8.925 1.00 40.13 H new ATOM 0 HB3 GLU A 43 2.059 -3.704 9.057 1.00 40.13 H new ATOM 0 HG2 GLU A 43 -0.526 -2.175 8.748 1.00 30.22 H new ATOM 0 HG3 GLU A 43 -0.068 -2.826 10.309 1.00 30.22 H new ATOM 696 N ILE A 44 1.316 -1.466 5.853 1.00 21.34 N ATOM 697 CA ILE A 44 1.982 -0.270 5.313 1.00 42.31 C ATOM 698 C ILE A 44 1.200 1.011 5.643 1.00 43.23 C ATOM 699 O ILE A 44 0.000 1.093 5.404 1.00 13.24 O ATOM 700 CB ILE A 44 2.128 -0.364 3.770 1.00 11.30 C ATOM 701 CG1 ILE A 44 2.823 -1.674 3.363 1.00 74.21 C ATOM 702 CG2 ILE A 44 2.897 0.841 3.227 1.00 22.32 C ATOM 703 CD1 ILE A 44 2.847 -1.912 1.866 1.00 55.43 C ATOM 0 H ILE A 44 0.351 -1.580 5.543 1.00 21.34 H new ATOM 0 HA ILE A 44 2.966 -0.225 5.780 1.00 42.31 H new ATOM 0 HB ILE A 44 1.128 -0.360 3.336 1.00 11.30 H new ATOM 0 HG12 ILE A 44 3.847 -1.663 3.737 1.00 74.21 H new ATOM 0 HG13 ILE A 44 2.316 -2.509 3.847 1.00 74.21 H new ATOM 0 HG21 ILE A 44 2.989 0.756 2.144 1.00 22.32 H new ATOM 0 HG22 ILE A 44 2.361 1.757 3.475 1.00 22.32 H new ATOM 0 HG23 ILE A 44 3.891 0.870 3.674 1.00 22.32 H new ATOM 0 HD11 ILE A 44 3.353 -2.854 1.655 1.00 55.43 H new ATOM 0 HD12 ILE A 44 1.826 -1.956 1.488 1.00 55.43 H new ATOM 0 HD13 ILE A 44 3.380 -1.097 1.376 1.00 55.43 H new ATOM 715 N ARG A 45 1.881 2.011 6.189 1.00 35.50 N ATOM 716 CA ARG A 45 1.270 3.321 6.435 1.00 3.01 C ATOM 717 C ARG A 45 2.103 4.445 5.802 1.00 0.23 C ATOM 718 O ARG A 45 3.310 4.541 6.030 1.00 2.22 O ATOM 719 CB ARG A 45 1.107 3.567 7.940 1.00 61.10 C ATOM 720 CG ARG A 45 0.489 4.921 8.280 1.00 1.11 C ATOM 721 CD ARG A 45 0.196 5.042 9.769 1.00 43.34 C ATOM 722 NE ARG A 45 -0.708 3.987 10.222 1.00 44.41 N ATOM 723 CZ ARG A 45 -1.485 4.073 11.263 1.00 74.34 C ATOM 724 NH1 ARG A 45 -1.589 5.177 11.932 1.00 41.50 N ATOM 725 NH2 ARG A 45 -2.202 3.057 11.602 1.00 55.33 N ATOM 0 H ARG A 45 2.859 1.944 6.472 1.00 35.50 H new ATOM 0 HA ARG A 45 0.284 3.322 5.971 1.00 3.01 H new ATOM 0 HB2 ARG A 45 0.485 2.778 8.362 1.00 61.10 H new ATOM 0 HB3 ARG A 45 2.084 3.493 8.419 1.00 61.10 H new ATOM 0 HG2 ARG A 45 1.167 5.718 7.975 1.00 1.11 H new ATOM 0 HG3 ARG A 45 -0.433 5.054 7.715 1.00 1.11 H new ATOM 0 HD2 ARG A 45 1.129 4.990 10.330 1.00 43.34 H new ATOM 0 HD3 ARG A 45 -0.247 6.016 9.976 1.00 43.34 H new ATOM 0 HE ARG A 45 -0.732 3.121 9.684 1.00 44.41 H new ATOM 0 HH11 ARG A 45 -1.057 5.999 11.646 1.00 41.50 H new ATOM 0 HH12 ARG A 45 -2.203 5.225 12.745 1.00 41.50 H new ATOM 0 HH21 ARG A 45 -2.157 2.196 11.056 1.00 55.33 H new ATOM 0 HH22 ARG A 45 -2.814 3.114 12.416 1.00 55.33 H new ATOM 739 N ILE A 46 1.461 5.292 5.002 1.00 1.10 N ATOM 740 CA ILE A 46 2.154 6.420 4.362 1.00 10.22 C ATOM 741 C ILE A 46 1.670 7.764 4.933 1.00 22.11 C ATOM 742 O ILE A 46 0.474 8.066 4.919 1.00 32.10 O ATOM 743 CB ILE A 46 1.955 6.411 2.825 1.00 1.51 C ATOM 744 CG1 ILE A 46 2.327 5.036 2.244 1.00 14.13 C ATOM 745 CG2 ILE A 46 2.790 7.516 2.172 1.00 42.23 C ATOM 746 CD1 ILE A 46 2.137 4.924 0.743 1.00 4.44 C ATOM 0 H ILE A 46 0.468 5.225 4.779 1.00 1.10 H new ATOM 0 HA ILE A 46 3.216 6.303 4.577 1.00 10.22 H new ATOM 0 HB ILE A 46 0.904 6.602 2.610 1.00 1.51 H new ATOM 0 HG12 ILE A 46 3.368 4.822 2.484 1.00 14.13 H new ATOM 0 HG13 ILE A 46 1.723 4.272 2.734 1.00 14.13 H new ATOM 0 HG21 ILE A 46 2.639 7.496 1.093 1.00 42.23 H new ATOM 0 HG22 ILE A 46 2.481 8.485 2.564 1.00 42.23 H new ATOM 0 HG23 ILE A 46 3.845 7.354 2.394 1.00 42.23 H new ATOM 0 HD11 ILE A 46 2.422 3.925 0.414 1.00 4.44 H new ATOM 0 HD12 ILE A 46 1.091 5.104 0.494 1.00 4.44 H new ATOM 0 HD13 ILE A 46 2.762 5.663 0.241 1.00 4.44 H new ATOM 758 N THR A 47 2.611 8.563 5.433 1.00 21.12 N ATOM 759 CA THR A 47 2.297 9.853 6.067 1.00 44.51 C ATOM 760 C THR A 47 2.663 11.041 5.164 1.00 30.21 C ATOM 761 O THR A 47 3.777 11.110 4.644 1.00 50.43 O ATOM 762 CB THR A 47 3.056 10.008 7.410 1.00 65.45 C ATOM 763 OG1 THR A 47 2.723 8.928 8.293 1.00 32.33 O ATOM 764 CG2 THR A 47 2.732 11.339 8.086 1.00 63.25 C ATOM 0 H THR A 47 3.607 8.342 5.413 1.00 21.12 H new ATOM 0 HA THR A 47 1.221 9.857 6.241 1.00 44.51 H new ATOM 0 HB THR A 47 4.123 9.987 7.191 1.00 65.45 H new ATOM 0 HG1 THR A 47 2.007 9.210 8.900 1.00 32.33 H new ATOM 0 HG21 THR A 47 3.281 11.414 9.024 1.00 63.25 H new ATOM 0 HG22 THR A 47 3.021 12.160 7.430 1.00 63.25 H new ATOM 0 HG23 THR A 47 1.662 11.394 8.287 1.00 63.25 H new ATOM 772 N GLY A 48 1.725 11.977 4.992 1.00 61.55 N ATOM 773 CA GLY A 48 2.002 13.199 4.230 1.00 61.24 C ATOM 774 C GLY A 48 1.550 13.133 2.771 1.00 33.25 C ATOM 775 O GLY A 48 2.122 13.803 1.907 1.00 13.31 O ATOM 0 H GLY A 48 0.778 11.914 5.365 1.00 61.55 H new ATOM 0 HA2 GLY A 48 1.506 14.039 4.716 1.00 61.24 H new ATOM 0 HA3 GLY A 48 3.073 13.400 4.260 1.00 61.24 H new ATOM 779 N VAL A 49 0.516 12.345 2.493 1.00 63.12 N ATOM 780 CA VAL A 49 -0.009 12.204 1.129 1.00 22.30 C ATOM 781 C VAL A 49 -1.104 13.247 0.821 1.00 60.41 C ATOM 782 O VAL A 49 -1.986 13.493 1.644 1.00 63.24 O ATOM 783 CB VAL A 49 -0.570 10.779 0.888 1.00 71.32 C ATOM 784 CG1 VAL A 49 0.565 9.764 0.812 1.00 62.32 C ATOM 785 CG2 VAL A 49 -1.566 10.387 1.981 1.00 21.34 C ATOM 0 H VAL A 49 0.021 11.791 3.192 1.00 63.12 H new ATOM 0 HA VAL A 49 0.830 12.377 0.455 1.00 22.30 H new ATOM 0 HB VAL A 49 -1.099 10.782 -0.065 1.00 71.32 H new ATOM 0 HG11 VAL A 49 0.153 8.769 0.643 1.00 62.32 H new ATOM 0 HG12 VAL A 49 1.232 10.025 -0.009 1.00 62.32 H new ATOM 0 HG13 VAL A 49 1.123 9.771 1.749 1.00 62.32 H new ATOM 0 HG21 VAL A 49 -1.943 9.383 1.786 1.00 21.34 H new ATOM 0 HG22 VAL A 49 -1.068 10.406 2.951 1.00 21.34 H new ATOM 0 HG23 VAL A 49 -2.397 11.092 1.986 1.00 21.34 H new ATOM 795 N PRO A 50 -1.047 13.896 -0.359 1.00 51.34 N ATOM 796 CA PRO A 50 -2.070 14.868 -0.788 1.00 52.43 C ATOM 797 C PRO A 50 -3.386 14.200 -1.238 1.00 60.13 C ATOM 798 O PRO A 50 -3.372 13.129 -1.847 1.00 50.32 O ATOM 799 CB PRO A 50 -1.406 15.598 -1.976 1.00 23.10 C ATOM 800 CG PRO A 50 0.022 15.146 -1.983 1.00 42.43 C ATOM 801 CD PRO A 50 0.029 13.781 -1.355 1.00 24.23 C ATOM 0 HA PRO A 50 -2.358 15.527 0.031 1.00 52.43 H new ATOM 0 HB2 PRO A 50 -1.900 15.348 -2.915 1.00 23.10 H new ATOM 0 HB3 PRO A 50 -1.474 16.679 -1.858 1.00 23.10 H new ATOM 0 HG2 PRO A 50 0.414 15.110 -2.999 1.00 42.43 H new ATOM 0 HG3 PRO A 50 0.652 15.836 -1.422 1.00 42.43 H new ATOM 0 HD2 PRO A 50 -0.172 12.996 -2.084 1.00 24.23 H new ATOM 0 HD3 PRO A 50 0.989 13.549 -0.893 1.00 24.23 H new ATOM 809 N GLU A 51 -4.517 14.852 -0.955 1.00 11.42 N ATOM 810 CA GLU A 51 -5.846 14.333 -1.316 1.00 55.24 C ATOM 811 C GLU A 51 -5.923 13.987 -2.817 1.00 11.41 C ATOM 812 O GLU A 51 -6.345 12.892 -3.195 1.00 13.20 O ATOM 813 CB GLU A 51 -6.914 15.376 -0.929 1.00 4.11 C ATOM 814 CG GLU A 51 -8.364 14.883 -0.991 1.00 72.34 C ATOM 815 CD GLU A 51 -8.939 14.848 -2.401 1.00 5.52 C ATOM 816 OE1 GLU A 51 -9.167 15.933 -2.979 1.00 52.20 O ATOM 817 OE2 GLU A 51 -9.183 13.745 -2.924 1.00 1.11 O ATOM 0 H GLU A 51 -4.541 15.750 -0.472 1.00 11.42 H new ATOM 0 HA GLU A 51 -6.030 13.409 -0.768 1.00 55.24 H new ATOM 0 HB2 GLU A 51 -6.709 15.723 0.084 1.00 4.11 H new ATOM 0 HB3 GLU A 51 -6.812 16.238 -1.588 1.00 4.11 H new ATOM 0 HG2 GLU A 51 -8.417 13.883 -0.562 1.00 72.34 H new ATOM 0 HG3 GLU A 51 -8.985 15.529 -0.371 1.00 72.34 H new ATOM 824 N GLN A 52 -5.476 14.917 -3.658 1.00 0.23 N ATOM 825 CA GLN A 52 -5.480 14.731 -5.118 1.00 30.04 C ATOM 826 C GLN A 52 -4.713 13.462 -5.551 1.00 74.12 C ATOM 827 O GLN A 52 -5.027 12.857 -6.576 1.00 24.03 O ATOM 828 CB GLN A 52 -4.873 15.966 -5.799 1.00 63.34 C ATOM 829 CG GLN A 52 -3.415 16.216 -5.422 1.00 4.31 C ATOM 830 CD GLN A 52 -2.854 17.484 -6.037 1.00 42.11 C ATOM 831 OE1 GLN A 52 -2.917 18.556 -5.447 1.00 2.11 O ATOM 832 NE2 GLN A 52 -2.309 17.375 -7.230 1.00 61.34 N ATOM 0 H GLN A 52 -5.102 15.817 -3.356 1.00 0.23 H new ATOM 0 HA GLN A 52 -6.517 14.604 -5.429 1.00 30.04 H new ATOM 0 HB2 GLN A 52 -4.945 15.847 -6.880 1.00 63.34 H new ATOM 0 HB3 GLN A 52 -5.464 16.843 -5.535 1.00 63.34 H new ATOM 0 HG2 GLN A 52 -3.331 16.277 -4.337 1.00 4.31 H new ATOM 0 HG3 GLN A 52 -2.812 15.366 -5.741 1.00 4.31 H new ATOM 0 HE21 GLN A 52 -2.273 16.467 -7.693 1.00 61.34 H new ATOM 0 HE22 GLN A 52 -1.923 18.199 -7.691 1.00 61.34 H new ATOM 841 N VAL A 53 -3.715 13.059 -4.760 1.00 43.11 N ATOM 842 CA VAL A 53 -2.902 11.874 -5.072 1.00 53.31 C ATOM 843 C VAL A 53 -3.441 10.621 -4.353 1.00 30.24 C ATOM 844 O VAL A 53 -3.209 9.491 -4.788 1.00 74.12 O ATOM 845 CB VAL A 53 -1.414 12.103 -4.683 1.00 74.33 C ATOM 846 CG1 VAL A 53 -0.543 10.910 -5.079 1.00 21.34 C ATOM 847 CG2 VAL A 53 -0.888 13.393 -5.314 1.00 61.54 C ATOM 0 H VAL A 53 -3.448 13.534 -3.898 1.00 43.11 H new ATOM 0 HA VAL A 53 -2.965 11.711 -6.148 1.00 53.31 H new ATOM 0 HB VAL A 53 -1.363 12.202 -3.599 1.00 74.33 H new ATOM 0 HG11 VAL A 53 0.491 11.103 -4.793 1.00 21.34 H new ATOM 0 HG12 VAL A 53 -0.899 10.015 -4.570 1.00 21.34 H new ATOM 0 HG13 VAL A 53 -0.599 10.761 -6.157 1.00 21.34 H new ATOM 0 HG21 VAL A 53 0.155 13.538 -5.031 1.00 61.54 H new ATOM 0 HG22 VAL A 53 -0.964 13.324 -6.399 1.00 61.54 H new ATOM 0 HG23 VAL A 53 -1.480 14.238 -4.962 1.00 61.54 H new ATOM 857 N ARG A 54 -4.180 10.835 -3.259 1.00 44.54 N ATOM 858 CA ARG A 54 -4.770 9.737 -2.473 1.00 21.32 C ATOM 859 C ARG A 54 -5.549 8.758 -3.365 1.00 0.43 C ATOM 860 O ARG A 54 -5.373 7.541 -3.281 1.00 21.24 O ATOM 861 CB ARG A 54 -5.724 10.306 -1.415 1.00 51.51 C ATOM 862 CG ARG A 54 -6.306 9.258 -0.463 1.00 54.43 C ATOM 863 CD ARG A 54 -7.679 9.668 0.062 1.00 52.43 C ATOM 864 NE ARG A 54 -8.693 9.624 -0.995 1.00 2.14 N ATOM 865 CZ ARG A 54 -9.423 10.638 -1.365 1.00 73.14 C ATOM 866 NH1 ARG A 54 -9.295 11.788 -0.789 1.00 12.23 N ATOM 867 NH2 ARG A 54 -10.287 10.493 -2.315 1.00 2.42 N ATOM 0 H ARG A 54 -4.387 11.764 -2.893 1.00 44.54 H new ATOM 0 HA ARG A 54 -3.951 9.199 -1.996 1.00 21.32 H new ATOM 0 HB2 ARG A 54 -5.193 11.056 -0.830 1.00 51.51 H new ATOM 0 HB3 ARG A 54 -6.544 10.817 -1.919 1.00 51.51 H new ATOM 0 HG2 ARG A 54 -6.386 8.302 -0.980 1.00 54.43 H new ATOM 0 HG3 ARG A 54 -5.625 9.111 0.376 1.00 54.43 H new ATOM 0 HD2 ARG A 54 -7.971 9.005 0.876 1.00 52.43 H new ATOM 0 HD3 ARG A 54 -7.626 10.675 0.475 1.00 52.43 H new ATOM 0 HE ARG A 54 -8.838 8.736 -1.476 1.00 2.14 H new ATOM 0 HH11 ARG A 54 -8.617 11.909 -0.036 1.00 12.23 H new ATOM 0 HH12 ARG A 54 -9.872 12.575 -1.087 1.00 12.23 H new ATOM 0 HH21 ARG A 54 -10.395 9.588 -2.772 1.00 2.42 H new ATOM 0 HH22 ARG A 54 -10.861 11.284 -2.608 1.00 2.42 H new ATOM 881 N LYS A 55 -6.418 9.314 -4.206 1.00 20.12 N ATOM 882 CA LYS A 55 -7.229 8.529 -5.146 1.00 21.12 C ATOM 883 C LYS A 55 -6.361 7.624 -6.039 1.00 31.10 C ATOM 884 O LYS A 55 -6.700 6.464 -6.285 1.00 60.33 O ATOM 885 CB LYS A 55 -8.079 9.482 -6.007 1.00 22.53 C ATOM 886 CG LYS A 55 -7.279 10.634 -6.620 1.00 2.44 C ATOM 887 CD LYS A 55 -8.176 11.641 -7.339 1.00 24.21 C ATOM 888 CE LYS A 55 -8.780 11.069 -8.613 1.00 63.31 C ATOM 889 NZ LYS A 55 -7.742 10.755 -9.628 1.00 1.53 N ATOM 0 H LYS A 55 -6.583 10.319 -4.259 1.00 20.12 H new ATOM 0 HA LYS A 55 -7.882 7.875 -4.568 1.00 21.12 H new ATOM 0 HB2 LYS A 55 -8.550 8.912 -6.808 1.00 22.53 H new ATOM 0 HB3 LYS A 55 -8.881 9.894 -5.394 1.00 22.53 H new ATOM 0 HG2 LYS A 55 -6.720 11.144 -5.835 1.00 2.44 H new ATOM 0 HG3 LYS A 55 -6.549 10.233 -7.323 1.00 2.44 H new ATOM 0 HD2 LYS A 55 -8.976 11.955 -6.669 1.00 24.21 H new ATOM 0 HD3 LYS A 55 -7.597 12.532 -7.582 1.00 24.21 H new ATOM 0 HE2 LYS A 55 -9.340 10.164 -8.375 1.00 63.31 H new ATOM 0 HE3 LYS A 55 -9.491 11.783 -9.030 1.00 63.31 H new ATOM 0 HZ1 LYS A 55 -8.195 10.596 -10.550 1.00 1.53 H new ATOM 0 HZ2 LYS A 55 -7.076 11.551 -9.702 1.00 1.53 H new ATOM 0 HZ3 LYS A 55 -7.226 9.898 -9.344 1.00 1.53 H new ATOM 903 N GLU A 56 -5.230 8.154 -6.497 1.00 25.41 N ATOM 904 CA GLU A 56 -4.318 7.410 -7.370 1.00 74.21 C ATOM 905 C GLU A 56 -3.604 6.281 -6.606 1.00 13.54 C ATOM 906 O GLU A 56 -3.510 5.153 -7.090 1.00 23.21 O ATOM 907 CB GLU A 56 -3.294 8.376 -7.990 1.00 0.44 C ATOM 908 CG GLU A 56 -3.931 9.490 -8.822 1.00 2.10 C ATOM 909 CD GLU A 56 -2.916 10.455 -9.418 1.00 24.23 C ATOM 910 OE1 GLU A 56 -2.218 10.071 -10.384 1.00 54.22 O ATOM 911 OE2 GLU A 56 -2.833 11.612 -8.945 1.00 53.11 O ATOM 0 H GLU A 56 -4.919 9.101 -6.278 1.00 25.41 H new ATOM 0 HA GLU A 56 -4.903 6.946 -8.164 1.00 74.21 H new ATOM 0 HB2 GLU A 56 -2.700 8.823 -7.193 1.00 0.44 H new ATOM 0 HB3 GLU A 56 -2.608 7.810 -8.620 1.00 0.44 H new ATOM 0 HG2 GLU A 56 -4.514 9.044 -9.628 1.00 2.10 H new ATOM 0 HG3 GLU A 56 -4.628 10.048 -8.196 1.00 2.10 H new ATOM 918 N LEU A 57 -3.117 6.591 -5.407 1.00 5.13 N ATOM 919 CA LEU A 57 -2.430 5.603 -4.562 1.00 43.45 C ATOM 920 C LEU A 57 -3.373 4.461 -4.136 1.00 54.42 C ATOM 921 O LEU A 57 -2.993 3.289 -4.156 1.00 54.32 O ATOM 922 CB LEU A 57 -1.841 6.290 -3.321 1.00 45.43 C ATOM 923 CG LEU A 57 -0.801 7.387 -3.611 1.00 31.44 C ATOM 924 CD1 LEU A 57 -0.331 8.039 -2.313 1.00 23.12 C ATOM 925 CD2 LEU A 57 0.383 6.819 -4.393 1.00 64.52 C ATOM 0 H LEU A 57 -3.183 7.521 -4.993 1.00 5.13 H new ATOM 0 HA LEU A 57 -1.625 5.165 -5.152 1.00 43.45 H new ATOM 0 HB2 LEU A 57 -2.657 6.728 -2.746 1.00 45.43 H new ATOM 0 HB3 LEU A 57 -1.379 5.531 -2.690 1.00 45.43 H new ATOM 0 HG LEU A 57 -1.275 8.153 -4.225 1.00 31.44 H new ATOM 0 HD11 LEU A 57 0.404 8.812 -2.539 1.00 23.12 H new ATOM 0 HD12 LEU A 57 -1.183 8.487 -1.802 1.00 23.12 H new ATOM 0 HD13 LEU A 57 0.122 7.284 -1.670 1.00 23.12 H new ATOM 0 HD21 LEU A 57 1.105 7.612 -4.587 1.00 64.52 H new ATOM 0 HD22 LEU A 57 0.858 6.029 -3.811 1.00 64.52 H new ATOM 0 HD23 LEU A 57 0.031 6.410 -5.340 1.00 64.52 H new ATOM 937 N ALA A 58 -4.600 4.812 -3.752 1.00 23.22 N ATOM 938 CA ALA A 58 -5.606 3.816 -3.360 1.00 5.13 C ATOM 939 C ALA A 58 -5.956 2.890 -4.535 1.00 11.41 C ATOM 940 O ALA A 58 -5.936 1.666 -4.403 1.00 10.34 O ATOM 941 CB ALA A 58 -6.858 4.509 -2.825 1.00 51.11 C ATOM 0 H ALA A 58 -4.925 5.778 -3.703 1.00 23.22 H new ATOM 0 HA ALA A 58 -5.184 3.200 -2.566 1.00 5.13 H new ATOM 0 HB1 ALA A 58 -7.595 3.759 -2.538 1.00 51.11 H new ATOM 0 HB2 ALA A 58 -6.597 5.112 -1.955 1.00 51.11 H new ATOM 0 HB3 ALA A 58 -7.277 5.152 -3.599 1.00 51.11 H new ATOM 947 N LYS A 59 -6.261 3.490 -5.684 1.00 11.20 N ATOM 948 CA LYS A 59 -6.531 2.735 -6.912 1.00 24.23 C ATOM 949 C LYS A 59 -5.340 1.828 -7.260 1.00 20.10 C ATOM 950 O LYS A 59 -5.510 0.642 -7.558 1.00 41.20 O ATOM 951 CB LYS A 59 -6.827 3.720 -8.069 1.00 60.03 C ATOM 952 CG LYS A 59 -7.336 3.082 -9.373 1.00 14.44 C ATOM 953 CD LYS A 59 -6.242 2.364 -10.171 1.00 21.44 C ATOM 954 CE LYS A 59 -5.088 3.293 -10.542 1.00 74.51 C ATOM 955 NZ LYS A 59 -5.482 4.321 -11.542 1.00 63.02 N ATOM 0 H LYS A 59 -6.328 4.502 -5.793 1.00 11.20 H new ATOM 0 HA LYS A 59 -7.402 2.099 -6.757 1.00 24.23 H new ATOM 0 HB2 LYS A 59 -7.568 4.443 -7.726 1.00 60.03 H new ATOM 0 HB3 LYS A 59 -5.916 4.277 -8.290 1.00 60.03 H new ATOM 0 HG2 LYS A 59 -8.127 2.371 -9.135 1.00 14.44 H new ATOM 0 HG3 LYS A 59 -7.781 3.857 -9.998 1.00 14.44 H new ATOM 0 HD2 LYS A 59 -5.858 1.528 -9.586 1.00 21.44 H new ATOM 0 HD3 LYS A 59 -6.674 1.945 -11.080 1.00 21.44 H new ATOM 0 HE2 LYS A 59 -4.721 3.788 -9.643 1.00 74.51 H new ATOM 0 HE3 LYS A 59 -4.263 2.701 -10.940 1.00 74.51 H new ATOM 0 HZ1 LYS A 59 -4.664 4.925 -11.759 1.00 63.02 H new ATOM 0 HZ2 LYS A 59 -5.807 3.853 -12.412 1.00 63.02 H new ATOM 0 HZ3 LYS A 59 -6.251 4.905 -11.155 1.00 63.02 H new ATOM 969 N GLU A 60 -4.135 2.398 -7.218 1.00 12.31 N ATOM 970 CA GLU A 60 -2.910 1.663 -7.550 1.00 61.12 C ATOM 971 C GLU A 60 -2.727 0.452 -6.622 1.00 50.54 C ATOM 972 O GLU A 60 -2.339 -0.627 -7.067 1.00 45.31 O ATOM 973 CB GLU A 60 -1.690 2.596 -7.455 1.00 72.13 C ATOM 974 CG GLU A 60 -0.476 2.130 -8.261 1.00 23.10 C ATOM 975 CD GLU A 60 -0.713 2.190 -9.766 1.00 61.24 C ATOM 976 OE1 GLU A 60 -0.940 3.302 -10.290 1.00 33.45 O ATOM 977 OE2 GLU A 60 -0.683 1.132 -10.432 1.00 53.35 O ATOM 0 H GLU A 60 -3.979 3.371 -6.956 1.00 12.31 H new ATOM 0 HA GLU A 60 -2.998 1.297 -8.573 1.00 61.12 H new ATOM 0 HB2 GLU A 60 -1.979 3.589 -7.798 1.00 72.13 H new ATOM 0 HB3 GLU A 60 -1.401 2.692 -6.408 1.00 72.13 H new ATOM 0 HG2 GLU A 60 0.384 2.750 -8.007 1.00 23.10 H new ATOM 0 HG3 GLU A 60 -0.226 1.108 -7.977 1.00 23.10 H new ATOM 984 N ALA A 61 -3.025 0.638 -5.333 1.00 53.23 N ATOM 985 CA ALA A 61 -2.952 -0.450 -4.347 1.00 53.21 C ATOM 986 C ALA A 61 -3.866 -1.624 -4.735 1.00 24.51 C ATOM 987 O ALA A 61 -3.457 -2.788 -4.691 1.00 71.33 O ATOM 988 CB ALA A 61 -3.313 0.064 -2.957 1.00 30.24 C ATOM 0 H ALA A 61 -3.320 1.534 -4.945 1.00 53.23 H new ATOM 0 HA ALA A 61 -1.925 -0.816 -4.333 1.00 53.21 H new ATOM 0 HB1 ALA A 61 -3.254 -0.755 -2.240 1.00 30.24 H new ATOM 0 HB2 ALA A 61 -2.616 0.851 -2.668 1.00 30.24 H new ATOM 0 HB3 ALA A 61 -4.327 0.463 -2.969 1.00 30.24 H new ATOM 994 N GLU A 62 -5.105 -1.309 -5.119 1.00 3.11 N ATOM 995 CA GLU A 62 -6.054 -2.327 -5.586 1.00 34.13 C ATOM 996 C GLU A 62 -5.521 -3.047 -6.835 1.00 13.03 C ATOM 997 O GLU A 62 -5.633 -4.272 -6.962 1.00 61.12 O ATOM 998 CB GLU A 62 -7.416 -1.683 -5.889 1.00 62.44 C ATOM 999 CG GLU A 62 -8.112 -1.090 -4.665 1.00 62.42 C ATOM 1000 CD GLU A 62 -9.464 -0.471 -4.996 1.00 10.34 C ATOM 1001 OE1 GLU A 62 -10.352 -1.207 -5.484 1.00 44.52 O ATOM 1002 OE2 GLU A 62 -9.649 0.747 -4.778 1.00 11.25 O ATOM 0 H GLU A 62 -5.476 -0.359 -5.117 1.00 3.11 H new ATOM 0 HA GLU A 62 -6.177 -3.065 -4.793 1.00 34.13 H new ATOM 0 HB2 GLU A 62 -7.277 -0.897 -6.631 1.00 62.44 H new ATOM 0 HB3 GLU A 62 -8.068 -2.432 -6.337 1.00 62.44 H new ATOM 0 HG2 GLU A 62 -8.249 -1.871 -3.917 1.00 62.42 H new ATOM 0 HG3 GLU A 62 -7.469 -0.331 -4.220 1.00 62.42 H new ATOM 1009 N ARG A 63 -4.930 -2.281 -7.753 1.00 24.12 N ATOM 1010 CA ARG A 63 -4.318 -2.849 -8.958 1.00 13.54 C ATOM 1011 C ARG A 63 -3.133 -3.766 -8.604 1.00 53.25 C ATOM 1012 O ARG A 63 -2.974 -4.840 -9.190 1.00 22.33 O ATOM 1013 CB ARG A 63 -3.861 -1.728 -9.904 1.00 53.43 C ATOM 1014 CG ARG A 63 -3.092 -2.230 -11.124 1.00 43.11 C ATOM 1015 CD ARG A 63 -2.742 -1.104 -12.095 1.00 5.31 C ATOM 1016 NE ARG A 63 -1.816 -1.553 -13.131 1.00 41.51 N ATOM 1017 CZ ARG A 63 -1.941 -1.305 -14.405 1.00 10.43 C ATOM 1018 NH1 ARG A 63 -2.955 -0.647 -14.863 1.00 70.24 N ATOM 1019 NH2 ARG A 63 -1.049 -1.740 -15.227 1.00 43.13 N ATOM 0 H ARG A 63 -4.861 -1.265 -7.686 1.00 24.12 H new ATOM 0 HA ARG A 63 -5.071 -3.453 -9.464 1.00 13.54 H new ATOM 0 HB2 ARG A 63 -4.735 -1.170 -10.241 1.00 53.43 H new ATOM 0 HB3 ARG A 63 -3.232 -1.031 -9.350 1.00 53.43 H new ATOM 0 HG2 ARG A 63 -2.176 -2.721 -10.796 1.00 43.11 H new ATOM 0 HG3 ARG A 63 -3.688 -2.981 -11.642 1.00 43.11 H new ATOM 0 HD2 ARG A 63 -3.653 -0.728 -12.560 1.00 5.31 H new ATOM 0 HD3 ARG A 63 -2.298 -0.274 -11.545 1.00 5.31 H new ATOM 0 HE ARG A 63 -1.009 -2.103 -12.835 1.00 41.51 H new ATOM 0 HH11 ARG A 63 -3.676 -0.311 -14.224 1.00 70.24 H new ATOM 0 HH12 ARG A 63 -3.034 -0.463 -15.863 1.00 70.24 H new ATOM 0 HH21 ARG A 63 -0.252 -2.274 -14.880 1.00 43.13 H new ATOM 0 HH22 ARG A 63 -1.139 -1.550 -16.225 1.00 43.13 H new ATOM 1033 N LEU A 64 -2.308 -3.332 -7.646 1.00 63.12 N ATOM 1034 CA LEU A 64 -1.189 -4.142 -7.139 1.00 61.25 C ATOM 1035 C LEU A 64 -1.681 -5.490 -6.599 1.00 50.20 C ATOM 1036 O LEU A 64 -1.130 -6.543 -6.924 1.00 23.31 O ATOM 1037 CB LEU A 64 -0.439 -3.383 -6.029 1.00 52.01 C ATOM 1038 CG LEU A 64 0.386 -2.171 -6.493 1.00 22.44 C ATOM 1039 CD1 LEU A 64 0.940 -1.400 -5.295 1.00 2.44 C ATOM 1040 CD2 LEU A 64 1.518 -2.624 -7.411 1.00 54.21 C ATOM 0 H LEU A 64 -2.393 -2.418 -7.202 1.00 63.12 H new ATOM 0 HA LEU A 64 -0.510 -4.330 -7.971 1.00 61.25 H new ATOM 0 HB2 LEU A 64 -1.166 -3.044 -5.291 1.00 52.01 H new ATOM 0 HB3 LEU A 64 0.228 -4.081 -5.523 1.00 52.01 H new ATOM 0 HG LEU A 64 -0.269 -1.502 -7.051 1.00 22.44 H new ATOM 0 HD11 LEU A 64 1.520 -0.547 -5.648 1.00 2.44 H new ATOM 0 HD12 LEU A 64 0.115 -1.047 -4.677 1.00 2.44 H new ATOM 0 HD13 LEU A 64 1.581 -2.055 -4.705 1.00 2.44 H new ATOM 0 HD21 LEU A 64 2.095 -1.757 -7.733 1.00 54.21 H new ATOM 0 HD22 LEU A 64 2.169 -3.313 -6.873 1.00 54.21 H new ATOM 0 HD23 LEU A 64 1.100 -3.126 -8.284 1.00 54.21 H new ATOM 1052 N ALA A 65 -2.722 -5.442 -5.768 1.00 4.42 N ATOM 1053 CA ALA A 65 -3.336 -6.653 -5.222 1.00 63.44 C ATOM 1054 C ALA A 65 -3.728 -7.631 -6.337 1.00 65.23 C ATOM 1055 O ALA A 65 -3.298 -8.784 -6.349 1.00 25.35 O ATOM 1056 CB ALA A 65 -4.554 -6.294 -4.382 1.00 71.34 C ATOM 0 H ALA A 65 -3.159 -4.574 -5.457 1.00 4.42 H new ATOM 0 HA ALA A 65 -2.600 -7.146 -4.587 1.00 63.44 H new ATOM 0 HB1 ALA A 65 -5.001 -7.204 -3.982 1.00 71.34 H new ATOM 0 HB2 ALA A 65 -4.251 -5.647 -3.559 1.00 71.34 H new ATOM 0 HB3 ALA A 65 -5.284 -5.774 -5.003 1.00 71.34 H new ATOM 1062 N LYS A 66 -4.529 -7.152 -7.284 1.00 72.10 N ATOM 1063 CA LYS A 66 -4.954 -7.969 -8.425 1.00 54.42 C ATOM 1064 C LYS A 66 -3.758 -8.453 -9.264 1.00 25.51 C ATOM 1065 O LYS A 66 -3.770 -9.572 -9.778 1.00 35.41 O ATOM 1066 CB LYS A 66 -5.940 -7.179 -9.297 1.00 70.35 C ATOM 1067 CG LYS A 66 -7.312 -6.991 -8.653 1.00 5.22 C ATOM 1068 CD LYS A 66 -8.011 -8.333 -8.438 1.00 23.13 C ATOM 1069 CE LYS A 66 -9.366 -8.183 -7.755 1.00 14.33 C ATOM 1070 NZ LYS A 66 -10.030 -9.502 -7.570 1.00 70.05 N ATOM 0 H LYS A 66 -4.899 -6.202 -7.287 1.00 72.10 H new ATOM 0 HA LYS A 66 -5.451 -8.856 -8.033 1.00 54.42 H new ATOM 0 HB2 LYS A 66 -5.514 -6.200 -9.517 1.00 70.35 H new ATOM 0 HB3 LYS A 66 -6.063 -7.694 -10.250 1.00 70.35 H new ATOM 0 HG2 LYS A 66 -7.201 -6.479 -7.697 1.00 5.22 H new ATOM 0 HG3 LYS A 66 -7.929 -6.354 -9.286 1.00 5.22 H new ATOM 0 HD2 LYS A 66 -8.146 -8.827 -9.400 1.00 23.13 H new ATOM 0 HD3 LYS A 66 -7.373 -8.979 -7.834 1.00 23.13 H new ATOM 0 HE2 LYS A 66 -9.235 -7.701 -6.786 1.00 14.33 H new ATOM 0 HE3 LYS A 66 -10.006 -7.532 -8.351 1.00 14.33 H new ATOM 0 HZ1 LYS A 66 -10.949 -9.365 -7.103 1.00 70.05 H new ATOM 0 HZ2 LYS A 66 -10.176 -9.950 -8.497 1.00 70.05 H new ATOM 0 HZ3 LYS A 66 -9.430 -10.113 -6.981 1.00 70.05 H new ATOM 1084 N GLU A 67 -2.727 -7.616 -9.383 1.00 31.21 N ATOM 1085 CA GLU A 67 -1.520 -7.962 -10.148 1.00 31.24 C ATOM 1086 C GLU A 67 -0.807 -9.185 -9.548 1.00 44.14 C ATOM 1087 O GLU A 67 -0.422 -10.113 -10.263 1.00 74.13 O ATOM 1088 CB GLU A 67 -0.558 -6.763 -10.187 1.00 73.43 C ATOM 1089 CG GLU A 67 0.707 -6.986 -11.022 1.00 63.41 C ATOM 1090 CD GLU A 67 0.427 -7.100 -12.516 1.00 44.32 C ATOM 1091 OE1 GLU A 67 0.305 -6.045 -13.184 1.00 23.41 O ATOM 1092 OE2 GLU A 67 0.343 -8.236 -13.034 1.00 64.24 O ATOM 0 H GLU A 67 -2.700 -6.689 -8.959 1.00 31.21 H new ATOM 0 HA GLU A 67 -1.828 -8.214 -11.163 1.00 31.24 H new ATOM 0 HB2 GLU A 67 -1.091 -5.899 -10.583 1.00 73.43 H new ATOM 0 HB3 GLU A 67 -0.265 -6.516 -9.167 1.00 73.43 H new ATOM 0 HG2 GLU A 67 1.398 -6.161 -10.850 1.00 63.41 H new ATOM 0 HG3 GLU A 67 1.204 -7.894 -10.682 1.00 63.41 H new ATOM 1099 N PHE A 68 -0.636 -9.184 -8.229 1.00 42.42 N ATOM 1100 CA PHE A 68 0.032 -10.291 -7.536 1.00 41.04 C ATOM 1101 C PHE A 68 -0.976 -11.342 -7.033 1.00 44.13 C ATOM 1102 O PHE A 68 -0.606 -12.270 -6.309 1.00 64.35 O ATOM 1103 CB PHE A 68 0.864 -9.748 -6.366 1.00 30.25 C ATOM 1104 CG PHE A 68 1.952 -8.792 -6.794 1.00 62.51 C ATOM 1105 CD1 PHE A 68 3.132 -9.268 -7.351 1.00 31.02 C ATOM 1106 CD2 PHE A 68 1.798 -7.422 -6.635 1.00 22.21 C ATOM 1107 CE1 PHE A 68 4.129 -8.396 -7.744 1.00 24.41 C ATOM 1108 CE2 PHE A 68 2.793 -6.548 -7.027 1.00 55.45 C ATOM 1109 CZ PHE A 68 3.961 -7.035 -7.580 1.00 65.51 C ATOM 0 H PHE A 68 -0.949 -8.432 -7.616 1.00 42.42 H new ATOM 0 HA PHE A 68 0.690 -10.785 -8.251 1.00 41.04 H new ATOM 0 HB2 PHE A 68 0.202 -9.242 -5.664 1.00 30.25 H new ATOM 0 HB3 PHE A 68 1.315 -10.584 -5.832 1.00 30.25 H new ATOM 0 HD1 PHE A 68 3.272 -10.331 -7.478 1.00 31.02 H new ATOM 0 HD2 PHE A 68 0.889 -7.034 -6.199 1.00 22.21 H new ATOM 0 HE1 PHE A 68 5.040 -8.779 -8.180 1.00 24.41 H new ATOM 0 HE2 PHE A 68 2.658 -5.484 -6.901 1.00 55.45 H new ATOM 0 HZ PHE A 68 4.741 -6.353 -7.884 1.00 65.51 H new ATOM 1119 N ASN A 69 -2.246 -11.186 -7.424 1.00 54.54 N ATOM 1120 CA ASN A 69 -3.317 -12.123 -7.045 1.00 50.20 C ATOM 1121 C ASN A 69 -3.456 -12.215 -5.511 1.00 62.32 C ATOM 1122 O ASN A 69 -3.808 -13.258 -4.956 1.00 60.52 O ATOM 1123 CB ASN A 69 -3.049 -13.508 -7.667 1.00 41.20 C ATOM 1124 CG ASN A 69 -4.279 -14.406 -7.659 1.00 41.25 C ATOM 1125 OD1 ASN A 69 -5.112 -14.343 -8.556 1.00 50.02 O ATOM 1126 ND2 ASN A 69 -4.393 -15.263 -6.666 1.00 11.13 N ATOM 0 H ASN A 69 -2.562 -10.412 -8.009 1.00 54.54 H new ATOM 0 HA ASN A 69 -4.263 -11.748 -7.434 1.00 50.20 H new ATOM 0 HB2 ASN A 69 -2.705 -13.380 -8.693 1.00 41.20 H new ATOM 0 HB3 ASN A 69 -2.244 -13.998 -7.119 1.00 41.20 H new ATOM 0 HD21 ASN A 69 -5.191 -15.898 -6.629 1.00 11.13 H new ATOM 0 HD22 ASN A 69 -3.684 -15.292 -5.934 1.00 11.13 H new ATOM 1133 N ILE A 70 -3.192 -11.103 -4.830 1.00 42.20 N ATOM 1134 CA ILE A 70 -3.275 -11.037 -3.365 1.00 21.50 C ATOM 1135 C ILE A 70 -4.439 -10.144 -2.906 1.00 12.31 C ATOM 1136 O ILE A 70 -4.987 -9.364 -3.686 1.00 34.10 O ATOM 1137 CB ILE A 70 -1.945 -10.517 -2.754 1.00 4.31 C ATOM 1138 CG1 ILE A 70 -1.604 -9.115 -3.289 1.00 23.41 C ATOM 1139 CG2 ILE A 70 -0.807 -11.493 -3.044 1.00 4.35 C ATOM 1140 CD1 ILE A 70 -0.278 -8.572 -2.794 1.00 20.54 C ATOM 0 H ILE A 70 -2.916 -10.225 -5.270 1.00 42.20 H new ATOM 0 HA ILE A 70 -3.456 -12.051 -3.009 1.00 21.50 H new ATOM 0 HB ILE A 70 -2.073 -10.444 -1.674 1.00 4.31 H new ATOM 0 HG12 ILE A 70 -1.588 -9.147 -4.378 1.00 23.41 H new ATOM 0 HG13 ILE A 70 -2.397 -8.425 -3.002 1.00 23.41 H new ATOM 0 HG21 ILE A 70 0.118 -11.113 -2.609 1.00 4.35 H new ATOM 0 HG22 ILE A 70 -1.041 -12.464 -2.609 1.00 4.35 H new ATOM 0 HG23 ILE A 70 -0.684 -11.599 -4.122 1.00 4.35 H new ATOM 0 HD11 ILE A 70 -0.111 -7.581 -3.216 1.00 20.54 H new ATOM 0 HD12 ILE A 70 -0.295 -8.505 -1.706 1.00 20.54 H new ATOM 0 HD13 ILE A 70 0.527 -9.239 -3.104 1.00 20.54 H new ATOM 1152 N THR A 71 -4.813 -10.267 -1.635 1.00 63.41 N ATOM 1153 CA THR A 71 -5.921 -9.487 -1.063 1.00 64.24 C ATOM 1154 C THR A 71 -5.402 -8.219 -0.369 1.00 54.22 C ATOM 1155 O THR A 71 -4.428 -8.271 0.384 1.00 4.42 O ATOM 1156 CB THR A 71 -6.718 -10.332 -0.037 1.00 24.12 C ATOM 1157 OG1 THR A 71 -7.177 -11.555 -0.643 1.00 63.51 O ATOM 1158 CG2 THR A 71 -7.915 -9.559 0.507 1.00 11.42 C ATOM 0 H THR A 71 -4.366 -10.902 -0.974 1.00 63.41 H new ATOM 0 HA THR A 71 -6.576 -9.203 -1.886 1.00 64.24 H new ATOM 0 HB THR A 71 -6.047 -10.563 0.790 1.00 24.12 H new ATOM 0 HG1 THR A 71 -7.677 -12.079 0.017 1.00 63.51 H new ATOM 0 HG21 THR A 71 -8.453 -10.179 1.224 1.00 11.42 H new ATOM 0 HG22 THR A 71 -7.568 -8.651 1.001 1.00 11.42 H new ATOM 0 HG23 THR A 71 -8.580 -9.293 -0.314 1.00 11.42 H new ATOM 1166 N VAL A 72 -6.052 -7.081 -0.616 1.00 10.42 N ATOM 1167 CA VAL A 72 -5.637 -5.808 -0.007 1.00 42.22 C ATOM 1168 C VAL A 72 -6.774 -5.150 0.799 1.00 30.22 C ATOM 1169 O VAL A 72 -7.927 -5.107 0.362 1.00 2.30 O ATOM 1170 CB VAL A 72 -5.124 -4.806 -1.079 1.00 44.42 C ATOM 1171 CG1 VAL A 72 -6.245 -4.385 -2.028 1.00 54.14 C ATOM 1172 CG2 VAL A 72 -4.483 -3.584 -0.421 1.00 74.32 C ATOM 0 H VAL A 72 -6.864 -7.010 -1.229 1.00 10.42 H new ATOM 0 HA VAL A 72 -4.824 -6.051 0.677 1.00 42.22 H new ATOM 0 HB VAL A 72 -4.362 -5.315 -1.669 1.00 44.42 H new ATOM 0 HG11 VAL A 72 -5.853 -3.684 -2.765 1.00 54.14 H new ATOM 0 HG12 VAL A 72 -6.640 -5.264 -2.537 1.00 54.14 H new ATOM 0 HG13 VAL A 72 -7.042 -3.906 -1.460 1.00 54.14 H new ATOM 0 HG21 VAL A 72 -4.132 -2.898 -1.192 1.00 74.32 H new ATOM 0 HG22 VAL A 72 -5.219 -3.080 0.206 1.00 74.32 H new ATOM 0 HG23 VAL A 72 -3.640 -3.902 0.193 1.00 74.32 H new ATOM 1182 N THR A 73 -6.438 -4.657 1.987 1.00 73.21 N ATOM 1183 CA THR A 73 -7.373 -3.880 2.814 1.00 20.43 C ATOM 1184 C THR A 73 -6.718 -2.564 3.251 1.00 73.44 C ATOM 1185 O THR A 73 -5.526 -2.530 3.550 1.00 54.35 O ATOM 1186 CB THR A 73 -7.837 -4.667 4.067 1.00 20.45 C ATOM 1187 OG1 THR A 73 -6.703 -5.118 4.826 1.00 35.24 O ATOM 1188 CG2 THR A 73 -8.698 -5.867 3.682 1.00 11.13 C ATOM 0 H THR A 73 -5.517 -4.780 2.407 1.00 73.21 H new ATOM 0 HA THR A 73 -8.252 -3.675 2.203 1.00 20.43 H new ATOM 0 HB THR A 73 -8.436 -3.990 4.675 1.00 20.45 H new ATOM 0 HG1 THR A 73 -7.012 -5.611 5.614 1.00 35.24 H new ATOM 0 HG21 THR A 73 -9.007 -6.397 4.583 1.00 11.13 H new ATOM 0 HG22 THR A 73 -9.581 -5.523 3.143 1.00 11.13 H new ATOM 0 HG23 THR A 73 -8.122 -6.539 3.045 1.00 11.13 H new ATOM 1196 N TYR A 74 -7.484 -1.474 3.277 1.00 62.42 N ATOM 1197 CA TYR A 74 -6.909 -0.156 3.577 1.00 10.04 C ATOM 1198 C TYR A 74 -7.817 0.693 4.485 1.00 52.54 C ATOM 1199 O TYR A 74 -9.013 0.436 4.612 1.00 32.32 O ATOM 1200 CB TYR A 74 -6.602 0.598 2.272 1.00 2.20 C ATOM 1201 CG TYR A 74 -7.823 0.957 1.440 1.00 61.50 C ATOM 1202 CD1 TYR A 74 -8.351 0.062 0.513 1.00 43.21 C ATOM 1203 CD2 TYR A 74 -8.441 2.197 1.574 1.00 53.34 C ATOM 1204 CE1 TYR A 74 -9.455 0.393 -0.252 1.00 41.43 C ATOM 1205 CE2 TYR A 74 -9.544 2.534 0.814 1.00 54.34 C ATOM 1206 CZ TYR A 74 -10.047 1.631 -0.097 1.00 14.14 C ATOM 1207 OH TYR A 74 -11.146 1.971 -0.860 1.00 54.24 O ATOM 0 H TYR A 74 -8.488 -1.472 3.098 1.00 62.42 H new ATOM 0 HA TYR A 74 -5.983 -0.327 4.125 1.00 10.04 H new ATOM 0 HB2 TYR A 74 -6.064 1.514 2.516 1.00 2.20 H new ATOM 0 HB3 TYR A 74 -5.933 -0.012 1.665 1.00 2.20 H new ATOM 0 HD1 TYR A 74 -7.891 -0.907 0.389 1.00 43.21 H new ATOM 0 HD2 TYR A 74 -8.051 2.909 2.286 1.00 53.34 H new ATOM 0 HE1 TYR A 74 -9.852 -0.313 -0.967 1.00 41.43 H new ATOM 0 HE2 TYR A 74 -10.010 3.501 0.933 1.00 54.34 H new ATOM 0 HH TYR A 74 -11.440 2.876 -0.625 1.00 54.24 H new ATOM 1217 N THR A 75 -7.222 1.705 5.117 1.00 43.03 N ATOM 1218 CA THR A 75 -7.949 2.632 6.001 1.00 44.15 C ATOM 1219 C THR A 75 -7.286 4.016 5.976 1.00 62.03 C ATOM 1220 O THR A 75 -6.185 4.194 6.489 1.00 75.35 O ATOM 1221 CB THR A 75 -7.989 2.116 7.465 1.00 41.42 C ATOM 1222 OG1 THR A 75 -8.594 0.813 7.519 1.00 75.21 O ATOM 1223 CG2 THR A 75 -8.766 3.072 8.368 1.00 14.12 C ATOM 0 H THR A 75 -6.226 1.909 5.035 1.00 43.03 H new ATOM 0 HA THR A 75 -8.972 2.700 5.630 1.00 44.15 H new ATOM 0 HB THR A 75 -6.961 2.057 7.822 1.00 41.42 H new ATOM 0 HG1 THR A 75 -8.612 0.499 8.447 1.00 75.21 H new ATOM 0 HG21 THR A 75 -8.776 2.683 9.386 1.00 14.12 H new ATOM 0 HG22 THR A 75 -8.288 4.051 8.358 1.00 14.12 H new ATOM 0 HG23 THR A 75 -9.790 3.165 8.005 1.00 14.12 H new ATOM 1231 N ILE A 76 -7.951 4.997 5.372 1.00 70.22 N ATOM 1232 CA ILE A 76 -7.356 6.327 5.181 1.00 74.15 C ATOM 1233 C ILE A 76 -7.958 7.374 6.134 1.00 72.55 C ATOM 1234 O ILE A 76 -9.178 7.537 6.209 1.00 63.51 O ATOM 1235 CB ILE A 76 -7.526 6.798 3.716 1.00 22.23 C ATOM 1236 CG1 ILE A 76 -6.957 5.737 2.754 1.00 33.40 C ATOM 1237 CG2 ILE A 76 -6.847 8.154 3.500 1.00 11.23 C ATOM 1238 CD1 ILE A 76 -7.080 6.099 1.291 1.00 41.31 C ATOM 0 H ILE A 76 -8.898 4.902 5.006 1.00 70.22 H new ATOM 0 HA ILE A 76 -6.295 6.234 5.412 1.00 74.15 H new ATOM 0 HB ILE A 76 -8.589 6.922 3.507 1.00 22.23 H new ATOM 0 HG12 ILE A 76 -5.905 5.575 2.990 1.00 33.40 H new ATOM 0 HG13 ILE A 76 -7.471 4.792 2.928 1.00 33.40 H new ATOM 0 HG21 ILE A 76 -6.979 8.466 2.464 1.00 11.23 H new ATOM 0 HG22 ILE A 76 -7.295 8.895 4.162 1.00 11.23 H new ATOM 0 HG23 ILE A 76 -5.783 8.067 3.720 1.00 11.23 H new ATOM 0 HD11 ILE A 76 -6.656 5.301 0.682 1.00 41.31 H new ATOM 0 HD12 ILE A 76 -8.131 6.231 1.036 1.00 41.31 H new ATOM 0 HD13 ILE A 76 -6.541 7.027 1.099 1.00 41.31 H new ATOM 1250 N ARG A 77 -7.090 8.087 6.852 1.00 70.43 N ATOM 1251 CA ARG A 77 -7.517 9.114 7.813 1.00 20.31 C ATOM 1252 C ARG A 77 -7.212 10.526 7.287 1.00 61.24 C ATOM 1253 O ARG A 77 -6.050 10.887 7.085 1.00 13.22 O ATOM 1254 CB ARG A 77 -6.811 8.891 9.161 1.00 14.43 C ATOM 1255 CG ARG A 77 -6.966 7.473 9.708 1.00 23.13 C ATOM 1256 CD ARG A 77 -6.338 7.321 11.094 1.00 71.21 C ATOM 1257 NE ARG A 77 -6.373 5.932 11.557 1.00 52.32 N ATOM 1258 CZ ARG A 77 -6.936 5.531 12.667 1.00 44.42 C ATOM 1259 NH1 ARG A 77 -7.518 6.373 13.462 1.00 5.14 N ATOM 1260 NH2 ARG A 77 -6.904 4.279 12.980 1.00 72.43 N ATOM 0 H ARG A 77 -6.078 7.973 6.788 1.00 70.43 H new ATOM 0 HA ARG A 77 -8.595 9.029 7.949 1.00 20.31 H new ATOM 0 HB2 ARG A 77 -5.750 9.113 9.046 1.00 14.43 H new ATOM 0 HB3 ARG A 77 -7.208 9.598 9.890 1.00 14.43 H new ATOM 0 HG2 ARG A 77 -8.025 7.218 9.760 1.00 23.13 H new ATOM 0 HG3 ARG A 77 -6.501 6.766 9.020 1.00 23.13 H new ATOM 0 HD2 ARG A 77 -5.305 7.669 11.065 1.00 71.21 H new ATOM 0 HD3 ARG A 77 -6.868 7.955 11.805 1.00 71.21 H new ATOM 0 HE ARG A 77 -5.926 5.227 10.971 1.00 52.32 H new ATOM 0 HH11 ARG A 77 -7.542 7.365 13.226 1.00 5.14 H new ATOM 0 HH12 ARG A 77 -7.952 6.044 14.324 1.00 5.14 H new ATOM 0 HH21 ARG A 77 -6.442 3.611 12.363 1.00 72.43 H new ATOM 0 HH22 ARG A 77 -7.341 3.958 13.844 1.00 72.43 H new ATOM 1274 N LEU A 78 -8.259 11.320 7.061 1.00 2.21 N ATOM 1275 CA LEU A 78 -8.104 12.688 6.546 1.00 63.51 C ATOM 1276 C LEU A 78 -8.638 13.710 7.566 1.00 3.20 C ATOM 1277 O LEU A 78 -9.789 13.630 7.998 1.00 3.24 O ATOM 1278 CB LEU A 78 -8.835 12.820 5.190 1.00 0.11 C ATOM 1279 CG LEU A 78 -8.499 14.070 4.337 1.00 24.43 C ATOM 1280 CD1 LEU A 78 -8.952 13.872 2.889 1.00 75.22 C ATOM 1281 CD2 LEU A 78 -9.136 15.337 4.910 1.00 53.52 C ATOM 0 H LEU A 78 -9.227 11.042 7.226 1.00 2.21 H new ATOM 0 HA LEU A 78 -7.045 12.896 6.390 1.00 63.51 H new ATOM 0 HB2 LEU A 78 -8.613 11.933 4.596 1.00 0.11 H new ATOM 0 HB3 LEU A 78 -9.908 12.816 5.380 1.00 0.11 H new ATOM 0 HG LEU A 78 -7.416 14.195 4.362 1.00 24.43 H new ATOM 0 HD11 LEU A 78 -8.707 14.760 2.307 1.00 75.22 H new ATOM 0 HD12 LEU A 78 -8.443 13.007 2.463 1.00 75.22 H new ATOM 0 HD13 LEU A 78 -10.029 13.707 2.864 1.00 75.22 H new ATOM 0 HD21 LEU A 78 -8.876 16.190 4.283 1.00 53.52 H new ATOM 0 HD22 LEU A 78 -10.220 15.221 4.934 1.00 53.52 H new ATOM 0 HD23 LEU A 78 -8.767 15.504 5.922 1.00 53.52 H new ATOM 1293 N GLU A 79 -7.798 14.671 7.942 1.00 51.45 N ATOM 1294 CA GLU A 79 -8.172 15.686 8.935 1.00 21.42 C ATOM 1295 C GLU A 79 -9.192 16.688 8.352 1.00 3.42 C ATOM 1296 O GLU A 79 -8.819 17.658 7.689 1.00 52.42 O ATOM 1297 CB GLU A 79 -6.926 16.440 9.436 1.00 53.30 C ATOM 1298 CG GLU A 79 -5.845 15.551 10.057 1.00 50.41 C ATOM 1299 CD GLU A 79 -5.119 14.683 9.036 1.00 5.02 C ATOM 1300 OE1 GLU A 79 -4.553 15.245 8.073 1.00 41.12 O ATOM 1301 OE2 GLU A 79 -5.135 13.442 9.181 1.00 62.14 O ATOM 0 H GLU A 79 -6.851 14.772 7.576 1.00 51.45 H new ATOM 0 HA GLU A 79 -8.637 15.170 9.775 1.00 21.42 H new ATOM 0 HB2 GLU A 79 -6.490 16.989 8.601 1.00 53.30 H new ATOM 0 HB3 GLU A 79 -7.238 17.179 10.174 1.00 53.30 H new ATOM 0 HG2 GLU A 79 -5.118 16.180 10.571 1.00 50.41 H new ATOM 0 HG3 GLU A 79 -6.301 14.909 10.811 1.00 50.41 H new ATOM 1308 N HIS A 80 -10.479 16.449 8.607 1.00 22.32 N ATOM 1309 CA HIS A 80 -11.550 17.276 8.032 1.00 75.35 C ATOM 1310 C HIS A 80 -11.767 18.590 8.812 1.00 60.51 C ATOM 1311 O HIS A 80 -11.278 18.755 9.931 1.00 34.33 O ATOM 1312 CB HIS A 80 -12.861 16.470 7.944 1.00 65.11 C ATOM 1313 CG HIS A 80 -13.274 15.799 9.226 1.00 4.22 C ATOM 1314 ND1 HIS A 80 -13.136 14.444 9.441 1.00 4.01 N ATOM 1315 CD2 HIS A 80 -13.837 16.296 10.356 1.00 73.11 C ATOM 1316 CE1 HIS A 80 -13.593 14.137 10.638 1.00 24.44 C ATOM 1317 NE2 HIS A 80 -14.023 15.240 11.212 1.00 44.34 N ATOM 0 H HIS A 80 -10.808 15.692 9.206 1.00 22.32 H new ATOM 0 HA HIS A 80 -11.235 17.556 7.027 1.00 75.35 H new ATOM 0 HB2 HIS A 80 -13.661 17.138 7.625 1.00 65.11 H new ATOM 0 HB3 HIS A 80 -12.753 15.710 7.170 1.00 65.11 H new ATOM 0 HD2 HIS A 80 -14.091 17.328 10.546 1.00 73.11 H new ATOM 0 HE1 HIS A 80 -13.611 13.149 11.074 1.00 24.44 H new ATOM 0 HE2 HIS A 80 -14.430 15.300 12.145 1.00 44.34 H new ATOM 1326 N HIS A 81 -12.512 19.518 8.194 1.00 72.22 N ATOM 1327 CA HIS A 81 -12.791 20.853 8.763 1.00 33.53 C ATOM 1328 C HIS A 81 -11.543 21.753 8.819 1.00 65.01 C ATOM 1329 O HIS A 81 -11.585 22.833 9.405 1.00 31.44 O ATOM 1330 CB HIS A 81 -13.420 20.754 10.165 1.00 2.12 C ATOM 1331 CG HIS A 81 -14.799 20.170 10.184 1.00 54.22 C ATOM 1332 ND1 HIS A 81 -15.286 19.437 11.242 1.00 13.23 N ATOM 1333 CD2 HIS A 81 -15.812 20.247 9.288 1.00 4.04 C ATOM 1334 CE1 HIS A 81 -16.531 19.087 10.999 1.00 21.21 C ATOM 1335 NE2 HIS A 81 -16.877 19.566 9.822 1.00 51.41 N ATOM 0 H HIS A 81 -12.942 19.367 7.281 1.00 72.22 H new ATOM 0 HA HIS A 81 -13.506 21.317 8.083 1.00 33.53 H new ATOM 0 HB2 HIS A 81 -12.773 20.147 10.798 1.00 2.12 H new ATOM 0 HB3 HIS A 81 -13.454 21.750 10.606 1.00 2.12 H new ATOM 0 HD2 HIS A 81 -15.786 20.750 8.333 1.00 4.04 H new ATOM 0 HE1 HIS A 81 -17.162 18.505 11.654 1.00 21.21 H new ATOM 0 HE2 HIS A 81 -17.789 19.450 9.379 1.00 51.41 H new ATOM 1344 N HIS A 82 -10.446 21.332 8.194 1.00 23.21 N ATOM 1345 CA HIS A 82 -9.209 22.125 8.203 1.00 52.51 C ATOM 1346 C HIS A 82 -9.301 23.362 7.296 1.00 52.31 C ATOM 1347 O HIS A 82 -9.133 23.273 6.078 1.00 54.42 O ATOM 1348 CB HIS A 82 -8.005 21.258 7.811 1.00 15.23 C ATOM 1349 CG HIS A 82 -7.420 20.510 8.965 1.00 20.13 C ATOM 1350 ND1 HIS A 82 -6.066 20.423 9.190 1.00 21.42 N ATOM 1351 CD2 HIS A 82 -8.008 19.831 9.977 1.00 61.04 C ATOM 1352 CE1 HIS A 82 -5.844 19.726 10.281 1.00 14.15 C ATOM 1353 NE2 HIS A 82 -7.004 19.354 10.782 1.00 41.02 N ATOM 0 H HIS A 82 -10.383 20.455 7.678 1.00 23.21 H new ATOM 0 HA HIS A 82 -9.069 22.484 9.223 1.00 52.51 H new ATOM 0 HB2 HIS A 82 -8.311 20.548 7.043 1.00 15.23 H new ATOM 0 HB3 HIS A 82 -7.236 21.893 7.370 1.00 15.23 H new ATOM 0 HD2 HIS A 82 -9.069 19.691 10.124 1.00 61.04 H new ATOM 0 HE1 HIS A 82 -4.874 19.497 10.697 1.00 14.15 H new ATOM 0 HE2 HIS A 82 -7.135 18.802 11.630 1.00 41.02 H new ATOM 1362 N HIS A 83 -9.571 24.510 7.913 1.00 60.33 N ATOM 1363 CA HIS A 83 -9.643 25.794 7.208 1.00 61.43 C ATOM 1364 C HIS A 83 -9.726 26.949 8.215 1.00 13.32 C ATOM 1365 O HIS A 83 -10.404 26.840 9.238 1.00 34.21 O ATOM 1366 CB HIS A 83 -10.856 25.839 6.265 1.00 24.45 C ATOM 1367 CG HIS A 83 -12.177 25.873 6.974 1.00 64.41 C ATOM 1368 ND1 HIS A 83 -12.530 24.966 7.945 1.00 0.23 N ATOM 1369 CD2 HIS A 83 -13.225 26.724 6.862 1.00 70.41 C ATOM 1370 CE1 HIS A 83 -13.735 25.251 8.396 1.00 21.32 C ATOM 1371 NE2 HIS A 83 -14.179 26.313 7.757 1.00 2.12 N ATOM 0 H HIS A 83 -9.746 24.580 8.915 1.00 60.33 H new ATOM 0 HA HIS A 83 -8.737 25.901 6.611 1.00 61.43 H new ATOM 0 HB2 HIS A 83 -10.775 26.719 5.627 1.00 24.45 H new ATOM 0 HB3 HIS A 83 -10.828 24.967 5.611 1.00 24.45 H new ATOM 0 HD1 HIS A 83 -11.949 24.192 8.267 1.00 0.23 H new ATOM 0 HD2 HIS A 83 -13.296 27.569 6.193 1.00 70.41 H new ATOM 0 HE1 HIS A 83 -14.268 24.706 9.161 1.00 21.32 H new ATOM 1380 N HIS A 84 -9.048 28.054 7.924 1.00 24.14 N ATOM 1381 CA HIS A 84 -9.044 29.207 8.827 1.00 74.41 C ATOM 1382 C HIS A 84 -10.424 29.887 8.856 1.00 11.23 C ATOM 1383 O HIS A 84 -10.731 30.748 8.032 1.00 52.15 O ATOM 1384 CB HIS A 84 -7.948 30.203 8.422 1.00 31.54 C ATOM 1385 CG HIS A 84 -6.569 29.613 8.468 1.00 63.34 C ATOM 1386 ND1 HIS A 84 -5.732 29.743 9.552 1.00 52.32 N ATOM 1387 CD2 HIS A 84 -5.890 28.868 7.562 1.00 75.35 C ATOM 1388 CE1 HIS A 84 -4.603 29.109 9.314 1.00 14.54 C ATOM 1389 NE2 HIS A 84 -4.670 28.568 8.114 1.00 31.41 N ATOM 0 H HIS A 84 -8.496 28.179 7.075 1.00 24.14 H new ATOM 0 HA HIS A 84 -8.827 28.852 9.835 1.00 74.41 H new ATOM 0 HB2 HIS A 84 -8.149 30.564 7.413 1.00 31.54 H new ATOM 0 HB3 HIS A 84 -7.989 31.068 9.084 1.00 31.54 H new ATOM 0 HD2 HIS A 84 -6.243 28.567 6.587 1.00 75.35 H new ATOM 0 HE1 HIS A 84 -3.763 29.043 9.989 1.00 14.54 H new ATOM 0 HE2 HIS A 84 -3.936 28.017 7.669 1.00 31.41 H new ATOM 1398 N HIS A 85 -11.250 29.466 9.812 1.00 2.14 N ATOM 1399 CA HIS A 85 -12.642 29.936 9.930 1.00 53.23 C ATOM 1400 C HIS A 85 -12.746 31.311 10.624 1.00 63.44 C ATOM 1401 O HIS A 85 -13.386 32.225 10.054 1.00 37.76 O ATOM 1402 CB HIS A 85 -13.483 28.895 10.687 1.00 31.41 C ATOM 1403 CG HIS A 85 -12.903 28.486 12.010 1.00 42.43 C ATOM 1404 ND1 HIS A 85 -12.921 29.298 13.123 1.00 71.33 N ATOM 1405 CD2 HIS A 85 -12.278 27.348 12.395 1.00 2.41 C ATOM 1406 CE1 HIS A 85 -12.338 28.684 14.127 1.00 13.33 C ATOM 1407 NE2 HIS A 85 -11.939 27.500 13.716 1.00 42.51 N ATOM 1408 OXT HIS A 85 -12.195 31.469 11.731 1.00 37.76 O ATOM 0 H HIS A 85 -10.981 28.791 10.528 1.00 2.14 H new ATOM 0 HA HIS A 85 -13.029 30.059 8.919 1.00 53.23 H new ATOM 0 HB2 HIS A 85 -14.482 29.299 10.849 1.00 31.41 H new ATOM 0 HB3 HIS A 85 -13.595 28.009 10.062 1.00 31.41 H new ATOM 0 HD1 HIS A 85 -13.326 30.234 13.161 1.00 71.33 H new ATOM 0 HD2 HIS A 85 -12.083 26.483 11.778 1.00 2.41 H new ATOM 0 HE1 HIS A 85 -12.208 29.084 15.122 1.00 13.33 H new TER 1417 HIS A 85