USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1106 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 85 HIS : no HE2:sc= -7.98! C(o=-12!,f=-16!) USER MOD Set 1.2: A 89 ASN : amide:sc= -3.98! C(o=-12!,f=-20!) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.31 K(o=-1.6,f=-2.3) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.242 X(o=-1.6,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0254 (180deg=-0.182) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.853 K(o=-0.85,f=-0.11) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 10:sc= -2.5 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.6!) USER MOD Single : A 39 THR OG1 : rot 176:sc= 0.675 USER MOD Single : A 42 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.36) USER MOD Single : A 43 ASN : amide:sc= -0.736 K(o=-0.74,f=-0.17) USER MOD Single : A 56 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.054) USER MOD Single : A 60 LYS NZ :NH3+ 144:sc= -0.281 (180deg=-1.5!) USER MOD Single : A 68 THR OG1 : rot -35:sc= -2.73 USER MOD Single : A 71 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.1) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00565) USER MOD Single : A 84 THR OG1 : rot 68:sc= 1.09 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.129 K(o=0.13,f=-0.48) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0.00026) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 110 THR OG1 : rot 100:sc= -0.84 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 151:sc= -0.296 (180deg=-1.22!) USER MOD Single : A 129 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0234) USER MOD Single : A 133 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0849) USER MOD Single : A 134 ASN : amide:sc= -0.246 K(o=-0.25,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.899 -31.759 0.683 1.00 0.00 N ATOM 2 CA MET A 1 -22.060 -31.856 -0.541 1.00 0.00 C ATOM 3 C MET A 1 -20.598 -32.125 -0.190 1.00 0.00 C ATOM 4 O MET A 1 -19.854 -32.693 -0.990 1.00 0.00 O ATOM 5 CB MET A 1 -22.182 -30.546 -1.323 1.00 0.00 C ATOM 6 CG MET A 1 -21.589 -30.615 -2.721 1.00 0.00 C ATOM 7 SD MET A 1 -21.691 -29.043 -3.600 1.00 0.00 S ATOM 8 CE MET A 1 -20.041 -28.932 -4.288 1.00 0.00 C ATOM 0 H1 MET A 1 -23.904 -31.746 0.415 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.715 -32.579 1.296 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.666 -30.884 1.195 1.00 0.00 H new ATOM 0 HA MET A 1 -22.411 -32.691 -1.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.235 -30.273 -1.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.685 -29.752 -0.765 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.545 -30.922 -2.654 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.110 -31.382 -3.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.947 -28.010 -4.862 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.309 -28.933 -3.480 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.861 -29.786 -4.941 1.00 0.00 H new ATOM 18 N ASP A 2 -20.194 -31.717 1.009 1.00 0.00 N ATOM 19 CA ASP A 2 -18.823 -31.915 1.461 1.00 0.00 C ATOM 20 C ASP A 2 -18.763 -32.949 2.581 1.00 0.00 C ATOM 21 O ASP A 2 -17.959 -32.832 3.506 1.00 0.00 O ATOM 22 CB ASP A 2 -18.226 -30.591 1.942 1.00 0.00 C ATOM 23 CG ASP A 2 -17.620 -29.784 0.809 1.00 0.00 C ATOM 24 OD1 ASP A 2 -18.352 -28.978 0.197 1.00 0.00 O ATOM 25 OD2 ASP A 2 -16.414 -29.960 0.534 1.00 0.00 O ATOM 0 H ASP A 2 -20.797 -31.247 1.684 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.239 -32.284 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -19.002 -30.001 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.460 -30.792 2.691 1.00 0.00 H new ATOM 30 N ASP A 3 -19.619 -33.961 2.491 1.00 0.00 N ATOM 31 CA ASP A 3 -19.662 -35.015 3.498 1.00 0.00 C ATOM 32 C ASP A 3 -18.769 -36.185 3.098 1.00 0.00 C ATOM 33 O ASP A 3 -18.022 -36.718 3.919 1.00 0.00 O ATOM 34 CB ASP A 3 -21.099 -35.501 3.698 1.00 0.00 C ATOM 35 CG ASP A 3 -21.963 -34.475 4.405 1.00 0.00 C ATOM 36 OD1 ASP A 3 -21.534 -33.963 5.460 1.00 0.00 O ATOM 37 OD2 ASP A 3 -23.070 -34.183 3.903 1.00 0.00 O ATOM 0 H ASP A 3 -20.291 -34.074 1.732 1.00 0.00 H new ATOM 0 HA ASP A 3 -19.292 -34.602 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.538 -35.736 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.090 -36.425 4.276 1.00 0.00 H new ATOM 42 N TYR A 4 -18.850 -36.580 1.831 1.00 0.00 N ATOM 43 CA TYR A 4 -18.048 -37.687 1.323 1.00 0.00 C ATOM 44 C TYR A 4 -17.398 -37.323 -0.007 1.00 0.00 C ATOM 45 O TYR A 4 -18.023 -37.427 -1.063 1.00 0.00 O ATOM 46 CB TYR A 4 -18.917 -38.938 1.159 1.00 0.00 C ATOM 47 CG TYR A 4 -18.517 -40.077 2.069 1.00 0.00 C ATOM 48 CD1 TYR A 4 -17.287 -40.706 1.927 1.00 0.00 C ATOM 49 CD2 TYR A 4 -19.370 -40.523 3.070 1.00 0.00 C ATOM 50 CE1 TYR A 4 -16.918 -41.748 2.756 1.00 0.00 C ATOM 51 CE2 TYR A 4 -19.009 -41.564 3.904 1.00 0.00 C ATOM 52 CZ TYR A 4 -17.782 -42.172 3.742 1.00 0.00 C ATOM 53 OH TYR A 4 -17.418 -43.210 4.571 1.00 0.00 O ATOM 0 H TYR A 4 -19.463 -36.150 1.138 1.00 0.00 H new ATOM 0 HA TYR A 4 -17.258 -37.894 2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -19.957 -38.676 1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -18.862 -39.275 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.607 -40.375 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -20.332 -40.048 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.958 -42.227 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -19.684 -41.899 4.678 1.00 0.00 H new ATOM 0 HH TYR A 4 -18.138 -43.385 5.212 1.00 0.00 H new ATOM 63 N GLU A 5 -16.140 -36.898 0.051 1.00 0.00 N ATOM 64 CA GLU A 5 -15.404 -36.519 -1.150 1.00 0.00 C ATOM 65 C GLU A 5 -14.793 -37.744 -1.822 1.00 0.00 C ATOM 66 O GLU A 5 -14.464 -38.729 -1.161 1.00 0.00 O ATOM 67 CB GLU A 5 -14.307 -35.510 -0.805 1.00 0.00 C ATOM 68 CG GLU A 5 -14.835 -34.216 -0.210 1.00 0.00 C ATOM 69 CD GLU A 5 -15.085 -33.150 -1.259 1.00 0.00 C ATOM 70 OE1 GLU A 5 -14.108 -32.504 -1.692 1.00 0.00 O ATOM 71 OE2 GLU A 5 -16.257 -32.962 -1.647 1.00 0.00 O ATOM 0 H GLU A 5 -15.609 -36.807 0.917 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.105 -36.058 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.613 -35.968 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.740 -35.280 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.763 -34.419 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.121 -33.839 0.522 1.00 0.00 H new ATOM 78 N LYS A 6 -14.645 -37.677 -3.142 1.00 0.00 N ATOM 79 CA LYS A 6 -14.074 -38.781 -3.905 1.00 0.00 C ATOM 80 C LYS A 6 -12.568 -38.607 -4.079 1.00 0.00 C ATOM 81 O LYS A 6 -11.776 -39.343 -3.491 1.00 0.00 O ATOM 82 CB LYS A 6 -14.747 -38.883 -5.276 1.00 0.00 C ATOM 83 CG LYS A 6 -14.838 -40.304 -5.805 1.00 0.00 C ATOM 84 CD LYS A 6 -15.899 -41.102 -5.066 1.00 0.00 C ATOM 85 CE LYS A 6 -17.253 -41.000 -5.752 1.00 0.00 C ATOM 86 NZ LYS A 6 -18.336 -40.650 -4.792 1.00 0.00 N ATOM 0 H LYS A 6 -14.913 -36.870 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.252 -39.701 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.751 -38.464 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.193 -38.273 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.071 -40.284 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.871 -40.796 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.596 -42.148 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.981 -40.739 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.206 -40.246 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.488 -41.949 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.243 -40.590 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.398 -41.383 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.125 -39.733 -4.350 1.00 0.00 H new ATOM 100 N LEU A 7 -12.180 -37.629 -4.890 1.00 0.00 N ATOM 101 CA LEU A 7 -10.770 -37.358 -5.145 1.00 0.00 C ATOM 102 C LEU A 7 -10.558 -35.899 -5.545 1.00 0.00 C ATOM 103 O LEU A 7 -9.553 -35.559 -6.169 1.00 0.00 O ATOM 104 CB LEU A 7 -10.249 -38.282 -6.250 1.00 0.00 C ATOM 105 CG LEU A 7 -9.178 -39.285 -5.811 1.00 0.00 C ATOM 106 CD1 LEU A 7 -9.551 -40.695 -6.246 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.820 -38.894 -6.375 1.00 0.00 C ATOM 0 H LEU A 7 -12.823 -37.010 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.215 -37.547 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.091 -38.834 -6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.841 -37.668 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.118 -39.268 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.777 -41.392 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.502 -40.975 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.641 -40.729 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.071 -39.617 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.868 -38.881 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.547 -37.903 -6.012 1.00 0.00 H new ATOM 119 N LEU A 8 -11.510 -35.040 -5.186 1.00 0.00 N ATOM 120 CA LEU A 8 -11.421 -33.623 -5.515 1.00 0.00 C ATOM 121 C LEU A 8 -10.693 -32.857 -4.415 1.00 0.00 C ATOM 122 O LEU A 8 -11.264 -31.972 -3.776 1.00 0.00 O ATOM 123 CB LEU A 8 -12.820 -33.038 -5.724 1.00 0.00 C ATOM 124 CG LEU A 8 -13.568 -33.574 -6.949 1.00 0.00 C ATOM 125 CD1 LEU A 8 -14.792 -34.371 -6.526 1.00 0.00 C ATOM 126 CD2 LEU A 8 -13.968 -32.435 -7.875 1.00 0.00 C ATOM 0 H LEU A 8 -12.349 -35.302 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.853 -33.523 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.418 -33.238 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.735 -31.955 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.897 -34.239 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.308 -34.742 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.482 -35.213 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.464 -33.730 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.498 -32.837 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.618 -31.743 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.075 -31.908 -8.211 1.00 0.00 H new ATOM 138 N GLU A 9 -9.428 -33.202 -4.201 1.00 0.00 N ATOM 139 CA GLU A 9 -8.622 -32.549 -3.178 1.00 0.00 C ATOM 140 C GLU A 9 -7.169 -33.008 -3.255 1.00 0.00 C ATOM 141 O GLU A 9 -6.523 -33.238 -2.231 1.00 0.00 O ATOM 142 CB GLU A 9 -9.191 -32.841 -1.788 1.00 0.00 C ATOM 143 CG GLU A 9 -9.181 -34.316 -1.424 1.00 0.00 C ATOM 144 CD GLU A 9 -10.435 -34.743 -0.688 1.00 0.00 C ATOM 145 OE1 GLU A 9 -11.487 -34.889 -1.345 1.00 0.00 O ATOM 146 OE2 GLU A 9 -10.365 -34.933 0.544 1.00 0.00 O ATOM 0 H GLU A 9 -8.939 -33.930 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.653 -31.474 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.615 -32.288 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.215 -32.470 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.077 -34.910 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.310 -34.527 -0.804 1.00 0.00 H new ATOM 153 N ARG A 10 -6.662 -33.140 -4.476 1.00 0.00 N ATOM 154 CA ARG A 10 -5.287 -33.573 -4.694 1.00 0.00 C ATOM 155 C ARG A 10 -4.410 -32.399 -5.117 1.00 0.00 C ATOM 156 O ARG A 10 -4.875 -31.465 -5.769 1.00 0.00 O ATOM 157 CB ARG A 10 -5.248 -34.677 -5.755 1.00 0.00 C ATOM 158 CG ARG A 10 -4.194 -35.748 -5.501 1.00 0.00 C ATOM 159 CD ARG A 10 -4.351 -36.387 -4.129 1.00 0.00 C ATOM 160 NE ARG A 10 -5.228 -37.555 -4.165 1.00 0.00 N ATOM 161 CZ ARG A 10 -5.222 -38.519 -3.245 1.00 0.00 C ATOM 162 NH1 ARG A 10 -4.362 -38.479 -2.233 1.00 0.00 N ATOM 163 NH2 ARG A 10 -6.078 -39.528 -3.344 1.00 0.00 N ATOM 0 H ARG A 10 -7.184 -32.953 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.896 -33.968 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.228 -35.152 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.062 -34.224 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.266 -36.517 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.201 -35.306 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.371 -36.681 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.754 -35.653 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.885 -37.638 -4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.700 -37.707 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.364 -39.221 -1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.737 -39.563 -4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.077 -40.268 -2.642 1.00 0.00 H new ATOM 177 N ALA A 11 -3.139 -32.453 -4.734 1.00 0.00 N ATOM 178 CA ALA A 11 -2.192 -31.395 -5.064 1.00 0.00 C ATOM 179 C ALA A 11 -2.591 -30.077 -4.405 1.00 0.00 C ATOM 180 O ALA A 11 -2.485 -29.011 -5.010 1.00 0.00 O ATOM 181 CB ALA A 11 -2.083 -31.229 -6.573 1.00 0.00 C ATOM 0 H ALA A 11 -2.740 -33.221 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.215 -31.682 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.372 -30.435 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.739 -32.163 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.060 -30.970 -6.982 1.00 0.00 H new ATOM 187 N ILE A 12 -3.048 -30.160 -3.159 1.00 0.00 N ATOM 188 CA ILE A 12 -3.460 -28.978 -2.413 1.00 0.00 C ATOM 189 C ILE A 12 -2.356 -28.517 -1.461 1.00 0.00 C ATOM 190 O ILE A 12 -1.461 -27.769 -1.854 1.00 0.00 O ATOM 191 CB ILE A 12 -4.763 -29.238 -1.622 1.00 0.00 C ATOM 192 CG1 ILE A 12 -5.854 -29.767 -2.552 1.00 0.00 C ATOM 193 CG2 ILE A 12 -5.227 -27.968 -0.925 1.00 0.00 C ATOM 194 CD1 ILE A 12 -7.133 -30.130 -1.831 1.00 0.00 C ATOM 0 H ILE A 12 -3.142 -31.036 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.649 -28.187 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.560 -29.992 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.073 -29.013 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.479 -30.646 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.145 -28.170 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.455 -27.630 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.413 -27.193 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.864 -30.498 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.927 -30.906 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.530 -29.248 -1.329 1.00 0.00 H new ATOM 206 N ASP A 13 -2.417 -28.967 -0.213 1.00 0.00 N ATOM 207 CA ASP A 13 -1.419 -28.600 0.783 1.00 0.00 C ATOM 208 C ASP A 13 -0.746 -29.840 1.364 1.00 0.00 C ATOM 209 O ASP A 13 0.384 -29.774 1.851 1.00 0.00 O ATOM 210 CB ASP A 13 -2.064 -27.780 1.902 1.00 0.00 C ATOM 211 CG ASP A 13 -1.336 -26.476 2.158 1.00 0.00 C ATOM 212 OD1 ASP A 13 -0.094 -26.455 2.027 1.00 0.00 O ATOM 213 OD2 ASP A 13 -2.007 -25.476 2.487 1.00 0.00 O ATOM 0 H ASP A 13 -3.149 -29.588 0.133 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.657 -27.995 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.101 -27.569 1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.079 -28.370 2.818 1.00 0.00 H new ATOM 218 N GLN A 14 -1.446 -30.971 1.310 1.00 0.00 N ATOM 219 CA GLN A 14 -0.918 -32.227 1.827 1.00 0.00 C ATOM 220 C GLN A 14 0.105 -32.835 0.869 1.00 0.00 C ATOM 221 O GLN A 14 0.803 -33.788 1.217 1.00 0.00 O ATOM 222 CB GLN A 14 -2.061 -33.216 2.064 1.00 0.00 C ATOM 223 CG GLN A 14 -1.980 -33.925 3.405 1.00 0.00 C ATOM 224 CD GLN A 14 -1.178 -35.211 3.341 1.00 0.00 C ATOM 225 OE1 GLN A 14 -0.359 -35.488 4.219 1.00 0.00 O ATOM 226 NE2 GLN A 14 -1.407 -36.006 2.302 1.00 0.00 N ATOM 0 H GLN A 14 -2.382 -31.041 0.912 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.416 -32.019 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.010 -32.684 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.058 -33.960 1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.528 -33.256 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.988 -34.148 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.094 -35.739 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.896 -36.884 2.209 1.00 0.00 H new ATOM 235 N LEU A 15 0.191 -32.281 -0.339 1.00 0.00 N ATOM 236 CA LEU A 15 1.129 -32.776 -1.339 1.00 0.00 C ATOM 237 C LEU A 15 2.277 -31.786 -1.543 1.00 0.00 C ATOM 238 O LEU A 15 2.045 -30.597 -1.764 1.00 0.00 O ATOM 239 CB LEU A 15 0.404 -33.019 -2.668 1.00 0.00 C ATOM 240 CG LEU A 15 0.590 -34.418 -3.265 1.00 0.00 C ATOM 241 CD1 LEU A 15 -0.738 -35.160 -3.312 1.00 0.00 C ATOM 242 CD2 LEU A 15 1.198 -34.328 -4.658 1.00 0.00 C ATOM 0 H LEU A 15 -0.377 -31.491 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 15 1.545 -33.718 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.661 -32.843 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.751 -32.283 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 15 1.274 -34.975 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.586 -36.151 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.137 -35.257 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.444 -34.604 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.323 -35.331 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.538 -33.752 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.169 -33.837 -4.600 1.00 0.00 H new ATOM 254 N PRO A 16 3.537 -32.258 -1.473 1.00 0.00 N ATOM 255 CA PRO A 16 4.710 -31.399 -1.655 1.00 0.00 C ATOM 256 C PRO A 16 4.642 -30.604 -2.957 1.00 0.00 C ATOM 257 O PRO A 16 4.161 -31.105 -3.973 1.00 0.00 O ATOM 258 CB PRO A 16 5.892 -32.380 -1.685 1.00 0.00 C ATOM 259 CG PRO A 16 5.287 -33.738 -1.830 1.00 0.00 C ATOM 260 CD PRO A 16 3.919 -33.653 -1.218 1.00 0.00 C ATOM 0 HA PRO A 16 4.790 -30.654 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.563 -32.160 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.482 -32.310 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.227 -34.028 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.893 -34.490 -1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.224 -34.354 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.938 -33.879 -0.152 1.00 0.00 H new ATOM 268 N PRO A 17 5.123 -29.347 -2.946 1.00 0.00 N ATOM 269 CA PRO A 17 5.109 -28.487 -4.133 1.00 0.00 C ATOM 270 C PRO A 17 5.908 -29.081 -5.287 1.00 0.00 C ATOM 271 O PRO A 17 7.072 -28.736 -5.493 1.00 0.00 O ATOM 272 CB PRO A 17 5.753 -27.180 -3.652 1.00 0.00 C ATOM 273 CG PRO A 17 6.487 -27.541 -2.407 1.00 0.00 C ATOM 274 CD PRO A 17 5.713 -28.667 -1.782 1.00 0.00 C ATOM 0 HA PRO A 17 4.099 -28.355 -4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.429 -26.774 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.999 -26.418 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.509 -27.847 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.551 -26.689 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.359 -29.333 -1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.948 -28.300 -1.098 1.00 0.00 H new ATOM 282 N GLU A 18 5.275 -29.974 -6.039 1.00 0.00 N ATOM 283 CA GLU A 18 5.925 -30.615 -7.175 1.00 0.00 C ATOM 284 C GLU A 18 4.966 -30.738 -8.354 1.00 0.00 C ATOM 285 O GLU A 18 5.121 -30.053 -9.365 1.00 0.00 O ATOM 286 CB GLU A 18 6.448 -31.996 -6.781 1.00 0.00 C ATOM 287 CG GLU A 18 7.731 -32.384 -7.497 1.00 0.00 C ATOM 288 CD GLU A 18 8.951 -31.684 -6.931 1.00 0.00 C ATOM 289 OE1 GLU A 18 9.388 -32.056 -5.822 1.00 0.00 O ATOM 290 OE2 GLU A 18 9.471 -30.764 -7.598 1.00 0.00 O ATOM 0 H GLU A 18 4.312 -30.270 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 18 6.766 -29.991 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.621 -32.017 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.682 -32.741 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.870 -33.463 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.638 -32.144 -8.556 1.00 0.00 H new ATOM 297 N VAL A 19 3.974 -31.612 -8.220 1.00 0.00 N ATOM 298 CA VAL A 19 2.995 -31.817 -9.279 1.00 0.00 C ATOM 299 C VAL A 19 1.695 -31.074 -8.980 1.00 0.00 C ATOM 300 O VAL A 19 0.619 -31.672 -8.949 1.00 0.00 O ATOM 301 CB VAL A 19 2.692 -33.316 -9.481 1.00 0.00 C ATOM 302 CG1 VAL A 19 1.751 -33.522 -10.660 1.00 0.00 C ATOM 303 CG2 VAL A 19 3.981 -34.096 -9.684 1.00 0.00 C ATOM 0 H VAL A 19 3.828 -32.188 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 19 3.430 -31.418 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 19 2.199 -33.690 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.551 -34.586 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.815 -32.996 -10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.213 -33.131 -11.567 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.749 -35.152 -9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.500 -33.718 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.619 -33.979 -8.808 1.00 0.00 H new ATOM 313 N PHE A 20 1.800 -29.765 -8.765 1.00 0.00 N ATOM 314 CA PHE A 20 0.628 -28.944 -8.476 1.00 0.00 C ATOM 315 C PHE A 20 0.064 -28.340 -9.757 1.00 0.00 C ATOM 316 O PHE A 20 0.755 -28.265 -10.773 1.00 0.00 O ATOM 317 CB PHE A 20 0.976 -27.833 -7.479 1.00 0.00 C ATOM 318 CG PHE A 20 2.263 -27.116 -7.781 1.00 0.00 C ATOM 319 CD1 PHE A 20 2.453 -26.472 -8.994 1.00 0.00 C ATOM 320 CD2 PHE A 20 3.283 -27.085 -6.845 1.00 0.00 C ATOM 321 CE1 PHE A 20 3.636 -25.811 -9.265 1.00 0.00 C ATOM 322 CE2 PHE A 20 4.468 -26.426 -7.109 1.00 0.00 C ATOM 323 CZ PHE A 20 4.646 -25.788 -8.321 1.00 0.00 C ATOM 0 H PHE A 20 2.681 -29.252 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.131 -29.587 -8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.163 -27.107 -7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.039 -28.263 -6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.668 -26.487 -9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.150 -27.583 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.772 -25.313 -10.214 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.254 -26.410 -6.369 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.572 -25.273 -8.531 1.00 0.00 H new ATOM 333 N GLU A 21 -1.191 -27.908 -9.706 1.00 0.00 N ATOM 334 CA GLU A 21 -1.835 -27.312 -10.871 1.00 0.00 C ATOM 335 C GLU A 21 -2.482 -25.974 -10.511 1.00 0.00 C ATOM 336 O GLU A 21 -1.863 -24.921 -10.664 1.00 0.00 O ATOM 337 CB GLU A 21 -2.869 -28.279 -11.458 1.00 0.00 C ATOM 338 CG GLU A 21 -2.615 -28.626 -12.915 1.00 0.00 C ATOM 339 CD GLU A 21 -3.897 -28.763 -13.712 1.00 0.00 C ATOM 340 OE1 GLU A 21 -4.923 -29.156 -13.119 1.00 0.00 O ATOM 341 OE2 GLU A 21 -3.875 -28.474 -14.927 1.00 0.00 O ATOM 0 H GLU A 21 -1.780 -27.959 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.073 -27.121 -11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.872 -29.196 -10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.861 -27.838 -11.365 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.992 -27.854 -13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.055 -29.560 -12.970 1.00 0.00 H new ATOM 348 N THR A 22 -3.724 -26.013 -10.030 1.00 0.00 N ATOM 349 CA THR A 22 -4.427 -24.792 -9.652 1.00 0.00 C ATOM 350 C THR A 22 -4.600 -24.703 -8.138 1.00 0.00 C ATOM 351 O THR A 22 -5.289 -25.524 -7.533 1.00 0.00 O ATOM 352 CB THR A 22 -5.792 -24.717 -10.343 1.00 0.00 C ATOM 353 OG1 THR A 22 -5.674 -25.016 -11.723 1.00 0.00 O ATOM 354 CG2 THR A 22 -6.442 -23.355 -10.226 1.00 0.00 C ATOM 0 H THR A 22 -4.259 -26.871 -9.894 1.00 0.00 H new ATOM 0 HA THR A 22 -3.822 -23.946 -9.978 1.00 0.00 H new ATOM 0 HB THR A 22 -6.416 -25.450 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.557 -24.964 -12.146 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.406 -23.367 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.591 -23.112 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.798 -22.604 -10.684 1.00 0.00 H new ATOM 362 N LYS A 23 -3.970 -23.703 -7.529 1.00 0.00 N ATOM 363 CA LYS A 23 -4.058 -23.519 -6.085 1.00 0.00 C ATOM 364 C LYS A 23 -5.125 -22.488 -5.722 1.00 0.00 C ATOM 365 O LYS A 23 -5.497 -21.647 -6.540 1.00 0.00 O ATOM 366 CB LYS A 23 -2.705 -23.085 -5.526 1.00 0.00 C ATOM 367 CG LYS A 23 -2.618 -23.176 -4.011 1.00 0.00 C ATOM 368 CD LYS A 23 -1.350 -23.886 -3.568 1.00 0.00 C ATOM 369 CE LYS A 23 -1.317 -25.328 -4.051 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.075 -25.629 -4.816 1.00 0.00 N ATOM 0 H LYS A 23 -3.396 -23.011 -8.010 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.342 -24.474 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.923 -23.705 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.507 -22.058 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.644 -22.174 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.488 -23.709 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.481 -23.353 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.281 -23.864 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.388 -25.999 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.186 -25.520 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.091 -26.621 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.020 -25.006 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.754 -25.470 -4.208 1.00 0.00 H new ATOM 384 N ARG A 24 -5.610 -22.558 -4.485 1.00 0.00 N ATOM 385 CA ARG A 24 -6.630 -21.634 -4.007 1.00 0.00 C ATOM 386 C ARG A 24 -6.001 -20.328 -3.522 1.00 0.00 C ATOM 387 O ARG A 24 -6.216 -19.908 -2.385 1.00 0.00 O ATOM 388 CB ARG A 24 -7.439 -22.279 -2.878 1.00 0.00 C ATOM 389 CG ARG A 24 -7.786 -23.736 -3.135 1.00 0.00 C ATOM 390 CD ARG A 24 -8.672 -24.299 -2.037 1.00 0.00 C ATOM 391 NE ARG A 24 -8.682 -25.761 -2.037 1.00 0.00 N ATOM 392 CZ ARG A 24 -9.770 -26.502 -1.827 1.00 0.00 C ATOM 393 NH1 ARG A 24 -10.944 -25.929 -1.583 1.00 0.00 N ATOM 394 NH2 ARG A 24 -9.682 -27.824 -1.857 1.00 0.00 N ATOM 0 H ARG A 24 -5.311 -23.247 -3.795 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.297 -21.404 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.873 -22.207 -1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.360 -21.715 -2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.293 -23.826 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.870 -24.323 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.323 -23.939 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.689 -23.929 -2.167 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.801 -26.245 -2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.019 -24.912 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.770 -26.506 -1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.784 -28.271 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.512 -28.394 -1.697 1.00 0.00 H new ATOM 408 N PHE A 25 -5.224 -19.691 -4.394 1.00 0.00 N ATOM 409 CA PHE A 25 -4.567 -18.434 -4.055 1.00 0.00 C ATOM 410 C PHE A 25 -5.392 -17.245 -4.539 1.00 0.00 C ATOM 411 O PHE A 25 -4.979 -16.510 -5.437 1.00 0.00 O ATOM 412 CB PHE A 25 -3.162 -18.385 -4.669 1.00 0.00 C ATOM 413 CG PHE A 25 -2.058 -18.690 -3.695 1.00 0.00 C ATOM 414 CD1 PHE A 25 -2.108 -18.218 -2.391 1.00 0.00 C ATOM 415 CD2 PHE A 25 -0.967 -19.449 -4.086 1.00 0.00 C ATOM 416 CE1 PHE A 25 -1.090 -18.498 -1.499 1.00 0.00 C ATOM 417 CE2 PHE A 25 0.054 -19.732 -3.198 1.00 0.00 C ATOM 418 CZ PHE A 25 -0.008 -19.256 -1.904 1.00 0.00 C ATOM 0 H PHE A 25 -5.035 -20.025 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.481 -18.376 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.112 -19.096 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.996 -17.394 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.952 -17.625 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.913 -19.824 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.140 -18.125 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.899 -20.325 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.789 -19.476 -1.209 1.00 0.00 H new ATOM 428 N GLU A 26 -6.561 -17.062 -3.935 1.00 0.00 N ATOM 429 CA GLU A 26 -7.446 -15.965 -4.301 1.00 0.00 C ATOM 430 C GLU A 26 -8.469 -15.701 -3.197 1.00 0.00 C ATOM 431 O GLU A 26 -9.250 -16.582 -2.838 1.00 0.00 O ATOM 432 CB GLU A 26 -8.160 -16.276 -5.620 1.00 0.00 C ATOM 433 CG GLU A 26 -8.266 -15.079 -6.552 1.00 0.00 C ATOM 434 CD GLU A 26 -8.345 -15.481 -8.012 1.00 0.00 C ATOM 435 OE1 GLU A 26 -7.985 -16.633 -8.333 1.00 0.00 O ATOM 436 OE2 GLU A 26 -8.766 -14.641 -8.837 1.00 0.00 O ATOM 0 H GLU A 26 -6.917 -17.660 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.841 -15.067 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.628 -17.078 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.162 -16.646 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.150 -14.497 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.403 -14.430 -6.404 1.00 0.00 H new ATOM 443 N VAL A 27 -8.458 -14.479 -2.667 1.00 0.00 N ATOM 444 CA VAL A 27 -9.381 -14.090 -1.604 1.00 0.00 C ATOM 445 C VAL A 27 -9.689 -12.591 -1.672 1.00 0.00 C ATOM 446 O VAL A 27 -8.797 -11.759 -1.509 1.00 0.00 O ATOM 447 CB VAL A 27 -8.810 -14.413 -0.207 1.00 0.00 C ATOM 448 CG1 VAL A 27 -9.836 -14.102 0.872 1.00 0.00 C ATOM 449 CG2 VAL A 27 -8.370 -15.867 -0.126 1.00 0.00 C ATOM 0 H VAL A 27 -7.818 -13.740 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.295 -14.664 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.935 -13.785 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.417 -14.336 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.097 -13.044 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.730 -14.703 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.971 -16.072 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.225 -16.517 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.599 -16.056 -0.873 1.00 0.00 H new ATOM 459 N PRO A 28 -10.961 -12.229 -1.928 1.00 0.00 N ATOM 460 CA PRO A 28 -11.382 -10.825 -2.032 1.00 0.00 C ATOM 461 C PRO A 28 -11.007 -9.988 -0.810 1.00 0.00 C ATOM 462 O PRO A 28 -11.718 -9.989 0.197 1.00 0.00 O ATOM 463 CB PRO A 28 -12.906 -10.914 -2.161 1.00 0.00 C ATOM 464 CG PRO A 28 -13.169 -12.275 -2.701 1.00 0.00 C ATOM 465 CD PRO A 28 -12.085 -13.160 -2.152 1.00 0.00 C ATOM 0 HA PRO A 28 -10.890 -10.329 -2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.393 -10.772 -1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.291 -10.143 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.153 -12.631 -2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.154 -12.271 -3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.394 -13.646 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.818 -13.950 -2.854 1.00 0.00 H new ATOM 473 N LYS A 29 -9.898 -9.257 -0.916 1.00 0.00 N ATOM 474 CA LYS A 29 -9.437 -8.394 0.169 1.00 0.00 C ATOM 475 C LYS A 29 -8.548 -7.276 -0.371 1.00 0.00 C ATOM 476 O LYS A 29 -7.725 -7.498 -1.259 1.00 0.00 O ATOM 477 CB LYS A 29 -8.686 -9.204 1.233 1.00 0.00 C ATOM 478 CG LYS A 29 -9.591 -9.787 2.310 1.00 0.00 C ATOM 479 CD LYS A 29 -10.103 -8.713 3.257 1.00 0.00 C ATOM 480 CE LYS A 29 -11.415 -8.115 2.767 1.00 0.00 C ATOM 481 NZ LYS A 29 -11.975 -7.128 3.727 1.00 0.00 N ATOM 0 H LYS A 29 -9.302 -9.246 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.314 -7.946 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.147 -10.016 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.940 -8.564 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.436 -10.292 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.044 -10.541 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.245 -9.140 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.356 -7.925 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.255 -7.631 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.139 -8.914 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.867 -6.747 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.153 -7.594 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.297 -6.351 3.862 1.00 0.00 H new ATOM 495 N ALA A 30 -8.730 -6.072 0.166 1.00 0.00 N ATOM 496 CA ALA A 30 -7.955 -4.910 -0.261 1.00 0.00 C ATOM 497 C ALA A 30 -8.060 -3.778 0.759 1.00 0.00 C ATOM 498 O ALA A 30 -9.098 -3.608 1.399 1.00 0.00 O ATOM 499 CB ALA A 30 -8.429 -4.439 -1.625 1.00 0.00 C ATOM 0 H ALA A 30 -9.410 -5.875 0.900 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.908 -5.204 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.845 -3.572 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.300 -5.241 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.483 -4.165 -1.569 1.00 0.00 H new ATOM 505 N TYR A 31 -6.981 -3.013 0.915 1.00 0.00 N ATOM 506 CA TYR A 31 -6.950 -1.909 1.872 1.00 0.00 C ATOM 507 C TYR A 31 -7.439 -2.370 3.244 1.00 0.00 C ATOM 508 O TYR A 31 -7.733 -3.550 3.446 1.00 0.00 O ATOM 509 CB TYR A 31 -7.774 -0.708 1.393 1.00 0.00 C ATOM 510 CG TYR A 31 -8.543 -0.936 0.109 1.00 0.00 C ATOM 511 CD1 TYR A 31 -7.908 -0.872 -1.124 1.00 0.00 C ATOM 512 CD2 TYR A 31 -9.903 -1.212 0.136 1.00 0.00 C ATOM 513 CE1 TYR A 31 -8.609 -1.078 -2.299 1.00 0.00 C ATOM 514 CE2 TYR A 31 -10.611 -1.419 -1.031 1.00 0.00 C ATOM 515 CZ TYR A 31 -9.960 -1.351 -2.247 1.00 0.00 C ATOM 516 OH TYR A 31 -10.663 -1.556 -3.413 1.00 0.00 O ATOM 0 H TYR A 31 -6.115 -3.138 0.390 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.912 -1.586 1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.479 -0.433 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.105 0.141 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.850 -0.658 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.416 -1.266 1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.102 -1.025 -3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.669 -1.633 -0.993 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.602 -1.738 -3.201 1.00 0.00 H new ATOM 526 N SER A 32 -7.516 -1.435 4.183 1.00 0.00 N ATOM 527 CA SER A 32 -7.959 -1.746 5.536 1.00 0.00 C ATOM 528 C SER A 32 -9.479 -1.742 5.632 1.00 0.00 C ATOM 529 O SER A 32 -10.173 -1.512 4.642 1.00 0.00 O ATOM 530 CB SER A 32 -7.378 -0.745 6.534 1.00 0.00 C ATOM 531 OG SER A 32 -5.967 -0.830 6.588 1.00 0.00 O ATOM 0 H SER A 32 -7.277 -0.455 4.032 1.00 0.00 H new ATOM 0 HA SER A 32 -7.599 -2.746 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.673 0.266 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.794 -0.933 7.524 1.00 0.00 H new ATOM 0 HG SER A 32 -5.646 -1.403 5.861 1.00 0.00 H new ATOM 537 N VAL A 33 -9.989 -2.004 6.834 1.00 0.00 N ATOM 538 CA VAL A 33 -11.429 -2.036 7.070 1.00 0.00 C ATOM 539 C VAL A 33 -11.791 -1.394 8.411 1.00 0.00 C ATOM 540 O VAL A 33 -11.167 -1.676 9.435 1.00 0.00 O ATOM 541 CB VAL A 33 -11.972 -3.480 7.041 1.00 0.00 C ATOM 542 CG1 VAL A 33 -12.373 -3.872 5.628 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.944 -4.453 7.598 1.00 0.00 C ATOM 0 H VAL A 33 -9.424 -2.197 7.661 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.890 -1.464 6.265 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.859 -3.524 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.753 -4.893 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.149 -3.196 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.505 -3.808 4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.347 -5.465 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.036 -4.407 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.711 -4.186 8.629 1.00 0.00 H new ATOM 553 N ILE A 34 -12.807 -0.531 8.393 1.00 0.00 N ATOM 554 CA ILE A 34 -13.264 0.156 9.593 1.00 0.00 C ATOM 555 C ILE A 34 -14.307 -0.670 10.340 1.00 0.00 C ATOM 556 O ILE A 34 -15.181 -1.287 9.729 1.00 0.00 O ATOM 557 CB ILE A 34 -13.867 1.534 9.239 1.00 0.00 C ATOM 558 CG1 ILE A 34 -14.373 2.245 10.503 1.00 0.00 C ATOM 559 CG2 ILE A 34 -14.981 1.383 8.206 1.00 0.00 C ATOM 560 CD1 ILE A 34 -15.793 1.890 10.901 1.00 0.00 C ATOM 0 H ILE A 34 -13.331 -0.292 7.551 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.396 0.295 10.237 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.084 2.152 8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.706 2.004 11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.312 3.322 10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.393 2.364 7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.578 0.931 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.768 0.746 8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.066 2.438 11.803 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.475 2.158 10.094 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.860 0.819 11.093 1.00 0.00 H new ATOM 572 N GLN A 35 -14.213 -0.675 11.666 1.00 0.00 N ATOM 573 CA GLN A 35 -15.150 -1.418 12.498 1.00 0.00 C ATOM 574 C GLN A 35 -15.222 -0.820 13.899 1.00 0.00 C ATOM 575 O GLN A 35 -14.366 -1.085 14.743 1.00 0.00 O ATOM 576 CB GLN A 35 -14.741 -2.891 12.574 1.00 0.00 C ATOM 577 CG GLN A 35 -15.923 -3.848 12.602 1.00 0.00 C ATOM 578 CD GLN A 35 -15.797 -4.958 11.577 1.00 0.00 C ATOM 579 OE1 GLN A 35 -15.848 -4.715 10.373 1.00 0.00 O ATOM 580 NE2 GLN A 35 -15.633 -6.187 12.053 1.00 0.00 N ATOM 0 H GLN A 35 -13.495 -0.171 12.187 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.138 -1.349 12.043 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.111 -3.130 11.717 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.137 -3.046 13.468 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.009 -4.285 13.597 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.842 -3.291 12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.596 -6.343 13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.544 -6.975 11.411 1.00 0.00 H new ATOM 589 N GLY A 36 -16.246 -0.009 14.139 1.00 0.00 N ATOM 590 CA GLY A 36 -16.404 0.616 15.439 1.00 0.00 C ATOM 591 C GLY A 36 -15.375 1.701 15.682 1.00 0.00 C ATOM 592 O GLY A 36 -15.697 2.889 15.669 1.00 0.00 O ATOM 0 H GLY A 36 -16.968 0.227 13.458 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.404 1.043 15.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.320 -0.142 16.217 1.00 0.00 H new ATOM 596 N ASN A 37 -14.131 1.290 15.902 1.00 0.00 N ATOM 597 CA ASN A 37 -13.046 2.235 16.145 1.00 0.00 C ATOM 598 C ASN A 37 -11.683 1.568 15.963 1.00 0.00 C ATOM 599 O ASN A 37 -10.686 2.008 16.536 1.00 0.00 O ATOM 600 CB ASN A 37 -13.156 2.812 17.558 1.00 0.00 C ATOM 601 CG ASN A 37 -12.386 4.106 17.715 1.00 0.00 C ATOM 602 OD1 ASN A 37 -12.188 4.847 16.751 1.00 0.00 O ATOM 603 ND2 ASN A 37 -11.946 4.384 18.935 1.00 0.00 N ATOM 0 H ASN A 37 -13.849 0.310 15.917 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.133 3.042 15.417 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -14.205 2.986 17.796 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.783 2.081 18.276 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.420 5.241 19.104 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.134 3.741 19.704 1.00 0.00 H new ATOM 610 N ARG A 38 -11.645 0.504 15.165 1.00 0.00 N ATOM 611 CA ARG A 38 -10.403 -0.222 14.917 1.00 0.00 C ATOM 612 C ARG A 38 -10.293 -0.639 13.455 1.00 0.00 C ATOM 613 O ARG A 38 -11.302 -0.794 12.765 1.00 0.00 O ATOM 614 CB ARG A 38 -10.328 -1.462 15.813 1.00 0.00 C ATOM 615 CG ARG A 38 -11.646 -2.208 15.939 1.00 0.00 C ATOM 616 CD ARG A 38 -11.523 -3.404 16.871 1.00 0.00 C ATOM 617 NE ARG A 38 -12.731 -4.227 16.859 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.206 -4.875 17.921 1.00 0.00 C ATOM 619 NH1 ARG A 38 -12.575 -4.820 19.087 1.00 0.00 N ATOM 620 NH2 ARG A 38 -14.317 -5.591 17.813 1.00 0.00 N ATOM 0 H ARG A 38 -12.459 0.126 14.680 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.573 0.445 15.149 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.573 -2.141 15.416 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.995 -1.161 16.806 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.414 -1.531 16.313 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.970 -2.545 14.954 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.667 -4.010 16.574 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.330 -3.056 17.886 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.243 -4.310 15.981 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.716 -4.277 19.177 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.949 -5.321 19.893 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.805 -5.644 16.919 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.684 -6.089 18.624 1.00 0.00 H new ATOM 634 N THR A 39 -9.062 -0.820 12.989 1.00 0.00 N ATOM 635 CA THR A 39 -8.819 -1.219 11.607 1.00 0.00 C ATOM 636 C THR A 39 -8.374 -2.681 11.538 1.00 0.00 C ATOM 637 O THR A 39 -7.389 -3.073 12.164 1.00 0.00 O ATOM 638 CB THR A 39 -7.789 -0.267 10.960 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.351 0.366 9.821 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.482 -0.914 10.522 1.00 0.00 C ATOM 0 H THR A 39 -8.217 -0.697 13.547 1.00 0.00 H new ATOM 0 HA THR A 39 -9.747 -1.142 11.040 1.00 0.00 H new ATOM 0 HB THR A 39 -7.547 0.438 11.755 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.714 1.018 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.832 -0.158 10.082 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.988 -1.358 11.386 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.689 -1.689 9.784 1.00 0.00 H new ATOM 648 N PHE A 40 -9.114 -3.479 10.772 1.00 0.00 N ATOM 649 CA PHE A 40 -8.808 -4.897 10.613 1.00 0.00 C ATOM 650 C PHE A 40 -7.913 -5.132 9.399 1.00 0.00 C ATOM 651 O PHE A 40 -8.342 -5.722 8.405 1.00 0.00 O ATOM 652 CB PHE A 40 -10.099 -5.704 10.458 1.00 0.00 C ATOM 653 CG PHE A 40 -10.753 -6.070 11.756 1.00 0.00 C ATOM 654 CD1 PHE A 40 -10.812 -5.164 12.802 1.00 0.00 C ATOM 655 CD2 PHE A 40 -11.320 -7.321 11.922 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.424 -5.503 13.992 1.00 0.00 C ATOM 657 CE2 PHE A 40 -11.935 -7.666 13.107 1.00 0.00 C ATOM 658 CZ PHE A 40 -11.987 -6.756 14.145 1.00 0.00 C ATOM 0 H PHE A 40 -9.933 -3.166 10.250 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.278 -5.227 11.507 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.804 -5.129 9.858 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.880 -6.617 9.904 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.375 -4.183 12.686 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.280 -8.036 11.114 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.463 -4.790 14.802 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.375 -8.645 13.223 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.467 -7.023 15.075 1.00 0.00 H new ATOM 668 N ILE A 41 -6.669 -4.674 9.482 1.00 0.00 N ATOM 669 CA ILE A 41 -5.719 -4.842 8.384 1.00 0.00 C ATOM 670 C ILE A 41 -5.521 -6.320 8.062 1.00 0.00 C ATOM 671 O ILE A 41 -5.206 -7.125 8.941 1.00 0.00 O ATOM 672 CB ILE A 41 -4.357 -4.157 8.699 1.00 0.00 C ATOM 673 CG1 ILE A 41 -4.186 -2.897 7.852 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.165 -5.083 8.474 1.00 0.00 C ATOM 675 CD1 ILE A 41 -3.813 -1.679 8.667 1.00 0.00 C ATOM 0 H ILE A 41 -6.294 -4.185 10.295 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.139 -4.352 7.505 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.378 -3.897 9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.416 -3.073 7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.114 -2.698 7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.242 -4.552 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.256 -5.956 9.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.144 -5.403 7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.706 -0.818 8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.594 -1.479 9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.869 -1.861 9.182 1.00 0.00 H new ATOM 687 N GLN A 42 -5.701 -6.662 6.792 1.00 0.00 N ATOM 688 CA GLN A 42 -5.534 -8.035 6.337 1.00 0.00 C ATOM 689 C GLN A 42 -4.481 -8.115 5.236 1.00 0.00 C ATOM 690 O GLN A 42 -3.755 -9.104 5.131 1.00 0.00 O ATOM 691 CB GLN A 42 -6.864 -8.600 5.838 1.00 0.00 C ATOM 692 CG GLN A 42 -7.400 -9.728 6.702 1.00 0.00 C ATOM 693 CD GLN A 42 -8.253 -10.698 5.914 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.383 -11.003 6.294 1.00 0.00 O ATOM 695 NE2 GLN A 42 -7.710 -11.187 4.807 1.00 0.00 N ATOM 0 H GLN A 42 -5.963 -6.005 6.058 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.196 -8.634 7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.601 -7.798 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.737 -8.962 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.566 -10.265 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.989 -9.309 7.518 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.769 -10.904 4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.233 -11.846 4.230 1.00 0.00 H new ATOM 704 N ASN A 43 -4.400 -7.069 4.418 1.00 0.00 N ATOM 705 CA ASN A 43 -3.433 -7.026 3.333 1.00 0.00 C ATOM 706 C ASN A 43 -2.340 -5.999 3.618 1.00 0.00 C ATOM 707 O ASN A 43 -2.008 -5.179 2.763 1.00 0.00 O ATOM 708 CB ASN A 43 -4.129 -6.694 2.010 1.00 0.00 C ATOM 709 CG ASN A 43 -4.387 -7.928 1.171 1.00 0.00 C ATOM 710 OD1 ASN A 43 -3.463 -8.672 0.839 1.00 0.00 O ATOM 711 ND2 ASN A 43 -5.648 -8.156 0.826 1.00 0.00 N ATOM 0 H ASN A 43 -4.993 -6.242 4.488 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.971 -8.010 3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.075 -6.193 2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.514 -5.995 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.883 -8.974 0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.382 -7.513 1.123 1.00 0.00 H new ATOM 718 N PHE A 44 -1.775 -6.045 4.824 1.00 0.00 N ATOM 719 CA PHE A 44 -0.720 -5.109 5.208 1.00 0.00 C ATOM 720 C PHE A 44 0.326 -4.959 4.103 1.00 0.00 C ATOM 721 O PHE A 44 1.033 -3.968 4.063 1.00 0.00 O ATOM 722 CB PHE A 44 -0.030 -5.574 6.497 1.00 0.00 C ATOM 723 CG PHE A 44 0.436 -4.450 7.384 1.00 0.00 C ATOM 724 CD1 PHE A 44 1.438 -3.582 6.974 1.00 0.00 C ATOM 725 CD2 PHE A 44 -0.136 -4.259 8.629 1.00 0.00 C ATOM 726 CE1 PHE A 44 1.854 -2.546 7.790 1.00 0.00 C ATOM 727 CE2 PHE A 44 0.275 -3.229 9.449 1.00 0.00 C ATOM 728 CZ PHE A 44 1.270 -2.369 9.029 1.00 0.00 C ATOM 0 H PHE A 44 -2.029 -6.717 5.548 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.192 -4.141 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.720 -6.204 7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.827 -6.195 6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.898 -3.717 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.916 -4.927 8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.634 -1.877 7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.181 -3.095 10.419 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.591 -1.560 9.668 1.00 0.00 H new ATOM 738 N ARG A 45 0.417 -5.937 3.205 1.00 0.00 N ATOM 739 CA ARG A 45 1.379 -5.870 2.107 1.00 0.00 C ATOM 740 C ARG A 45 0.865 -4.979 0.975 1.00 0.00 C ATOM 741 O ARG A 45 1.486 -3.969 0.633 1.00 0.00 O ATOM 742 CB ARG A 45 1.673 -7.268 1.568 1.00 0.00 C ATOM 743 CG ARG A 45 3.111 -7.447 1.114 1.00 0.00 C ATOM 744 CD ARG A 45 3.252 -7.241 -0.386 1.00 0.00 C ATOM 745 NE ARG A 45 2.388 -8.142 -1.149 1.00 0.00 N ATOM 746 CZ ARG A 45 2.832 -9.144 -1.909 1.00 0.00 C ATOM 747 NH1 ARG A 45 4.133 -9.388 -2.017 1.00 0.00 N ATOM 748 NH2 ARG A 45 1.967 -9.907 -2.564 1.00 0.00 N ATOM 0 H ARG A 45 -0.158 -6.779 3.215 1.00 0.00 H new ATOM 0 HA ARG A 45 2.299 -5.435 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.450 -8.002 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.007 -7.474 0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.751 -6.739 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.455 -8.447 1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.007 -6.208 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.290 -7.402 -0.678 1.00 0.00 H new ATOM 0 HE ARG A 45 1.380 -7.994 -1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.804 -8.806 -1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.461 -10.157 -2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.966 -9.726 -2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.303 -10.674 -3.146 1.00 0.00 H new ATOM 762 N GLU A 46 -0.285 -5.347 0.406 1.00 0.00 N ATOM 763 CA GLU A 46 -0.882 -4.567 -0.674 1.00 0.00 C ATOM 764 C GLU A 46 -1.252 -3.182 -0.165 1.00 0.00 C ATOM 765 O GLU A 46 -0.943 -2.165 -0.794 1.00 0.00 O ATOM 766 CB GLU A 46 -2.122 -5.271 -1.231 1.00 0.00 C ATOM 767 CG GLU A 46 -2.676 -4.628 -2.496 1.00 0.00 C ATOM 768 CD GLU A 46 -2.662 -5.568 -3.689 1.00 0.00 C ATOM 769 OE1 GLU A 46 -1.607 -5.677 -4.347 1.00 0.00 O ATOM 770 OE2 GLU A 46 -3.708 -6.193 -3.963 1.00 0.00 O ATOM 0 H GLU A 46 -0.817 -6.175 0.675 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.153 -4.472 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.874 -6.311 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.899 -5.277 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.698 -4.297 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.091 -3.739 -2.733 1.00 0.00 H new ATOM 777 N VAL A 47 -1.899 -3.155 0.994 1.00 0.00 N ATOM 778 CA VAL A 47 -2.299 -1.900 1.613 1.00 0.00 C ATOM 779 C VAL A 47 -1.068 -1.051 1.908 1.00 0.00 C ATOM 780 O VAL A 47 -1.097 0.169 1.766 1.00 0.00 O ATOM 781 CB VAL A 47 -3.067 -2.119 2.939 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.795 -0.849 3.375 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.040 -3.284 2.827 1.00 0.00 C ATOM 0 H VAL A 47 -2.157 -3.988 1.523 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.960 -1.396 0.908 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.331 -2.365 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.325 -1.036 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.071 -0.047 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.509 -0.557 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.564 -3.413 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.763 -3.080 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.491 -4.195 2.590 1.00 0.00 H new ATOM 793 N ALA A 48 0.006 -1.708 2.347 1.00 0.00 N ATOM 794 CA ALA A 48 1.242 -1.016 2.694 1.00 0.00 C ATOM 795 C ALA A 48 1.875 -0.309 1.502 1.00 0.00 C ATOM 796 O ALA A 48 2.539 0.715 1.658 1.00 0.00 O ATOM 797 CB ALA A 48 2.242 -1.985 3.299 1.00 0.00 C ATOM 0 H ALA A 48 0.042 -2.720 2.470 1.00 0.00 H new ATOM 0 HA ALA A 48 0.975 -0.253 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.158 -1.452 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.819 -2.428 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.467 -2.772 2.579 1.00 0.00 H new ATOM 803 N ASP A 49 1.687 -0.857 0.314 1.00 0.00 N ATOM 804 CA ASP A 49 2.275 -0.261 -0.880 1.00 0.00 C ATOM 805 C ASP A 49 1.495 0.966 -1.335 1.00 0.00 C ATOM 806 O ASP A 49 2.017 2.081 -1.318 1.00 0.00 O ATOM 807 CB ASP A 49 2.341 -1.292 -2.009 1.00 0.00 C ATOM 808 CG ASP A 49 3.767 -1.662 -2.372 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.613 -1.734 -1.456 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.036 -1.880 -3.572 1.00 0.00 O ATOM 0 H ASP A 49 1.140 -1.702 0.148 1.00 0.00 H new ATOM 0 HA ASP A 49 3.286 0.060 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.801 -2.190 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.836 -0.895 -2.890 1.00 0.00 H new ATOM 815 N ALA A 50 0.262 0.756 -1.774 1.00 0.00 N ATOM 816 CA ALA A 50 -0.564 1.852 -2.267 1.00 0.00 C ATOM 817 C ALA A 50 -0.640 3.017 -1.283 1.00 0.00 C ATOM 818 O ALA A 50 -0.459 4.171 -1.672 1.00 0.00 O ATOM 819 CB ALA A 50 -1.956 1.353 -2.617 1.00 0.00 C ATOM 0 H ALA A 50 -0.188 -0.159 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.085 2.232 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.559 2.184 -2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.885 0.588 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.424 0.929 -1.729 1.00 0.00 H new ATOM 825 N LEU A 51 -0.913 2.726 -0.017 1.00 0.00 N ATOM 826 CA LEU A 51 -1.011 3.769 0.982 1.00 0.00 C ATOM 827 C LEU A 51 0.354 4.424 1.208 1.00 0.00 C ATOM 828 O LEU A 51 0.446 5.641 1.371 1.00 0.00 O ATOM 829 CB LEU A 51 -1.574 3.196 2.288 1.00 0.00 C ATOM 830 CG LEU A 51 -1.169 3.945 3.547 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.582 5.391 3.436 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.784 3.305 4.779 1.00 0.00 C ATOM 0 H LEU A 51 -1.069 1.781 0.335 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.695 4.539 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.662 3.187 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.251 2.159 2.381 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.085 3.894 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.289 5.923 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.092 5.844 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.663 5.452 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.480 3.859 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.871 3.323 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.444 2.273 4.861 1.00 0.00 H new ATOM 844 N ASN A 52 1.414 3.620 1.202 1.00 0.00 N ATOM 845 CA ASN A 52 2.758 4.148 1.397 1.00 0.00 C ATOM 846 C ASN A 52 3.788 3.224 0.768 1.00 0.00 C ATOM 847 O ASN A 52 4.195 2.233 1.369 1.00 0.00 O ATOM 848 CB ASN A 52 3.056 4.330 2.887 1.00 0.00 C ATOM 849 CG ASN A 52 3.322 5.777 3.250 1.00 0.00 C ATOM 850 OD1 ASN A 52 4.279 6.383 2.770 1.00 0.00 O ATOM 851 ND2 ASN A 52 2.471 6.344 4.099 1.00 0.00 N ATOM 0 H ASN A 52 1.368 2.610 1.066 1.00 0.00 H new ATOM 0 HA ASN A 52 2.815 5.121 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.213 3.961 3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.921 3.725 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.599 7.317 4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.690 5.806 4.474 1.00 0.00 H new ATOM 858 N ARG A 53 4.205 3.560 -0.451 1.00 0.00 N ATOM 859 CA ARG A 53 5.190 2.771 -1.186 1.00 0.00 C ATOM 860 C ARG A 53 6.270 2.212 -0.256 1.00 0.00 C ATOM 861 O ARG A 53 6.823 1.141 -0.507 1.00 0.00 O ATOM 862 CB ARG A 53 5.826 3.627 -2.285 1.00 0.00 C ATOM 863 CG ARG A 53 5.578 3.095 -3.687 1.00 0.00 C ATOM 864 CD ARG A 53 4.324 3.696 -4.302 1.00 0.00 C ATOM 865 NE ARG A 53 4.346 5.158 -4.278 1.00 0.00 N ATOM 866 CZ ARG A 53 3.342 5.915 -3.835 1.00 0.00 C ATOM 867 NH1 ARG A 53 2.222 5.360 -3.385 1.00 0.00 N ATOM 868 NH2 ARG A 53 3.456 7.236 -3.846 1.00 0.00 N ATOM 0 H ARG A 53 3.872 4.382 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 53 4.675 1.924 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.435 4.642 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.901 3.686 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.437 3.320 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.483 2.010 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.225 3.352 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.448 3.338 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 53 5.183 5.629 -4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.124 4.345 -3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.460 5.949 -3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.311 7.671 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.689 7.817 -3.508 1.00 0.00 H new ATOM 882 N ASP A 54 6.553 2.938 0.823 1.00 0.00 N ATOM 883 CA ASP A 54 7.551 2.511 1.796 1.00 0.00 C ATOM 884 C ASP A 54 6.897 1.739 2.942 1.00 0.00 C ATOM 885 O ASP A 54 5.822 2.112 3.416 1.00 0.00 O ATOM 886 CB ASP A 54 8.301 3.725 2.349 1.00 0.00 C ATOM 887 CG ASP A 54 9.659 3.911 1.703 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.428 2.929 1.643 1.00 0.00 O ATOM 889 OD2 ASP A 54 9.953 5.039 1.257 1.00 0.00 O ATOM 0 H ASP A 54 6.103 3.826 1.044 1.00 0.00 H new ATOM 0 HA ASP A 54 8.258 1.851 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.701 4.621 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.427 3.611 3.426 1.00 0.00 H new ATOM 894 N PRO A 55 7.536 0.651 3.412 1.00 0.00 N ATOM 895 CA PRO A 55 7.001 -0.160 4.510 1.00 0.00 C ATOM 896 C PRO A 55 7.128 0.539 5.858 1.00 0.00 C ATOM 897 O PRO A 55 6.179 0.580 6.640 1.00 0.00 O ATOM 898 CB PRO A 55 7.870 -1.416 4.477 1.00 0.00 C ATOM 899 CG PRO A 55 9.164 -0.967 3.892 1.00 0.00 C ATOM 900 CD PRO A 55 8.825 0.129 2.915 1.00 0.00 C ATOM 0 HA PRO A 55 5.936 -0.359 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.009 -1.827 5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.412 -2.198 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.837 -0.602 4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.672 -1.791 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.592 0.903 2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.737 -0.253 1.898 1.00 0.00 H new ATOM 908 N GLN A 56 8.309 1.088 6.123 1.00 0.00 N ATOM 909 CA GLN A 56 8.561 1.788 7.376 1.00 0.00 C ATOM 910 C GLN A 56 7.680 3.027 7.495 1.00 0.00 C ATOM 911 O GLN A 56 7.346 3.457 8.599 1.00 0.00 O ATOM 912 CB GLN A 56 10.036 2.180 7.480 1.00 0.00 C ATOM 913 CG GLN A 56 10.819 1.332 8.469 1.00 0.00 C ATOM 914 CD GLN A 56 11.579 2.167 9.480 1.00 0.00 C ATOM 915 OE1 GLN A 56 12.762 1.937 9.729 1.00 0.00 O ATOM 916 NE2 GLN A 56 10.901 3.145 10.071 1.00 0.00 N ATOM 0 H GLN A 56 9.106 1.061 5.487 1.00 0.00 H new ATOM 0 HA GLN A 56 8.316 1.112 8.196 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.497 2.095 6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.106 3.227 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.133 0.667 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.521 0.700 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.921 3.301 9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.360 3.740 10.761 1.00 0.00 H new ATOM 925 N HIS A 57 7.301 3.596 6.354 1.00 0.00 N ATOM 926 CA HIS A 57 6.458 4.783 6.355 1.00 0.00 C ATOM 927 C HIS A 57 5.073 4.446 6.887 1.00 0.00 C ATOM 928 O HIS A 57 4.644 4.966 7.912 1.00 0.00 O ATOM 929 CB HIS A 57 6.345 5.359 4.943 1.00 0.00 C ATOM 930 CG HIS A 57 6.560 6.839 4.882 1.00 0.00 C ATOM 931 ND1 HIS A 57 7.724 7.410 4.414 1.00 0.00 N ATOM 932 CD2 HIS A 57 5.752 7.869 5.229 1.00 0.00 C ATOM 933 CE1 HIS A 57 7.626 8.725 4.475 1.00 0.00 C ATOM 934 NE2 HIS A 57 6.438 9.030 4.965 1.00 0.00 N ATOM 0 H HIS A 57 7.562 3.258 5.428 1.00 0.00 H new ATOM 0 HA HIS A 57 6.916 5.529 7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.074 4.867 4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.358 5.127 4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.755 7.792 5.637 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.387 9.431 4.176 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.087 9.975 5.122 1.00 0.00 H new ATOM 942 N LEU A 58 4.375 3.575 6.171 1.00 0.00 N ATOM 943 CA LEU A 58 3.030 3.171 6.561 1.00 0.00 C ATOM 944 C LEU A 58 2.945 2.893 8.057 1.00 0.00 C ATOM 945 O LEU A 58 1.942 3.201 8.701 1.00 0.00 O ATOM 946 CB LEU A 58 2.604 1.932 5.786 1.00 0.00 C ATOM 947 CG LEU A 58 1.141 1.938 5.355 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.042 1.828 3.846 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.360 0.816 6.032 1.00 0.00 C ATOM 0 H LEU A 58 4.717 3.134 5.317 1.00 0.00 H new ATOM 0 HA LEU A 58 2.357 3.995 6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.232 1.837 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.786 1.051 6.402 1.00 0.00 H new ATOM 0 HG LEU A 58 0.697 2.883 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.007 1.833 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.554 2.673 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.508 0.899 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.679 0.847 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.797 -0.146 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.403 0.944 7.114 1.00 0.00 H new ATOM 961 N LEU A 59 4.004 2.309 8.602 1.00 0.00 N ATOM 962 CA LEU A 59 4.053 1.985 10.019 1.00 0.00 C ATOM 963 C LEU A 59 3.958 3.242 10.874 1.00 0.00 C ATOM 964 O LEU A 59 3.069 3.364 11.717 1.00 0.00 O ATOM 965 CB LEU A 59 5.341 1.227 10.342 1.00 0.00 C ATOM 966 CG LEU A 59 5.159 0.018 11.259 1.00 0.00 C ATOM 967 CD1 LEU A 59 5.903 -1.193 10.713 1.00 0.00 C ATOM 968 CD2 LEU A 59 5.629 0.348 12.668 1.00 0.00 C ATOM 0 H LEU A 59 4.842 2.050 8.081 1.00 0.00 H new ATOM 0 HA LEU A 59 3.197 1.351 10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.793 0.893 9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.045 1.916 10.808 1.00 0.00 H new ATOM 0 HG LEU A 59 4.098 -0.228 11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.759 -2.041 11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.517 -1.442 9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.966 -0.965 10.641 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.493 -0.522 13.310 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.684 0.621 12.645 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.047 1.182 13.060 1.00 0.00 H new ATOM 980 N LYS A 60 4.879 4.177 10.659 1.00 0.00 N ATOM 981 CA LYS A 60 4.885 5.418 11.424 1.00 0.00 C ATOM 982 C LYS A 60 3.546 6.141 11.305 1.00 0.00 C ATOM 983 O LYS A 60 3.080 6.746 12.266 1.00 0.00 O ATOM 984 CB LYS A 60 6.036 6.331 10.977 1.00 0.00 C ATOM 985 CG LYS A 60 5.767 7.104 9.693 1.00 0.00 C ATOM 986 CD LYS A 60 7.045 7.314 8.894 1.00 0.00 C ATOM 987 CE LYS A 60 7.178 8.748 8.411 1.00 0.00 C ATOM 988 NZ LYS A 60 6.999 9.726 9.518 1.00 0.00 N ATOM 0 H LYS A 60 5.625 4.100 9.967 1.00 0.00 H new ATOM 0 HA LYS A 60 5.040 5.163 12.473 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.251 7.041 11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.932 5.725 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.041 6.563 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.324 8.070 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.906 7.057 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.054 6.640 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.159 8.889 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.438 8.939 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.637 10.535 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.014 10.060 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.221 9.268 10.425 1.00 0.00 H new ATOM 1002 N PHE A 61 2.930 6.066 10.125 1.00 0.00 N ATOM 1003 CA PHE A 61 1.640 6.716 9.887 1.00 0.00 C ATOM 1004 C PHE A 61 0.519 5.998 10.631 1.00 0.00 C ATOM 1005 O PHE A 61 -0.384 6.633 11.177 1.00 0.00 O ATOM 1006 CB PHE A 61 1.329 6.758 8.390 1.00 0.00 C ATOM 1007 CG PHE A 61 1.206 8.152 7.846 1.00 0.00 C ATOM 1008 CD1 PHE A 61 0.002 8.834 7.912 1.00 0.00 C ATOM 1009 CD2 PHE A 61 2.298 8.781 7.268 1.00 0.00 C ATOM 1010 CE1 PHE A 61 -0.112 10.117 7.411 1.00 0.00 C ATOM 1011 CE2 PHE A 61 2.190 10.063 6.767 1.00 0.00 C ATOM 1012 CZ PHE A 61 0.984 10.732 6.837 1.00 0.00 C ATOM 0 H PHE A 61 3.302 5.563 9.320 1.00 0.00 H new ATOM 0 HA PHE A 61 1.706 7.736 10.265 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.115 6.232 7.848 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.399 6.220 8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.857 8.358 8.360 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.244 8.262 7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.056 10.638 7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.049 10.543 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.898 11.734 6.444 1.00 0.00 H new ATOM 1022 N LEU A 62 0.578 4.671 10.645 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.432 3.869 11.316 1.00 0.00 C ATOM 1024 C LEU A 62 -0.539 4.254 12.792 1.00 0.00 C ATOM 1025 O LEU A 62 -1.630 4.535 13.282 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.083 2.382 11.186 1.00 0.00 C ATOM 1027 CG LEU A 62 -1.235 1.400 11.423 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -1.514 1.252 12.911 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -2.487 1.844 10.680 1.00 0.00 C ATOM 0 H LEU A 62 1.317 4.129 10.198 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.396 4.057 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.317 2.209 10.187 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.715 2.153 11.892 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.939 0.427 11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.335 0.551 13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.622 0.877 13.413 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.785 2.222 13.329 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.291 1.131 10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.789 2.830 11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.279 1.889 9.611 1.00 0.00 H new ATOM 1041 N LEU A 63 0.594 4.278 13.490 1.00 0.00 N ATOM 1042 CA LEU A 63 0.611 4.642 14.908 1.00 0.00 C ATOM 1043 C LEU A 63 0.502 6.159 15.079 1.00 0.00 C ATOM 1044 O LEU A 63 0.068 6.647 16.122 1.00 0.00 O ATOM 1045 CB LEU A 63 1.896 4.132 15.574 1.00 0.00 C ATOM 1046 CG LEU A 63 1.721 3.487 16.958 1.00 0.00 C ATOM 1047 CD1 LEU A 63 0.959 4.405 17.906 1.00 0.00 C ATOM 1048 CD2 LEU A 63 1.017 2.143 16.837 1.00 0.00 C ATOM 0 H LEU A 63 1.509 4.051 13.101 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.248 4.175 15.389 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.362 3.403 14.911 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.590 4.967 15.668 1.00 0.00 H new ATOM 0 HG LEU A 63 2.714 3.324 17.377 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.852 3.919 18.876 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.507 5.339 18.027 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.028 4.614 17.495 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.902 1.702 17.827 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.034 2.286 16.387 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.609 1.477 16.210 1.00 0.00 H new ATOM 1060 N ARG A 64 0.900 6.903 14.051 1.00 0.00 N ATOM 1061 CA ARG A 64 0.853 8.362 14.100 1.00 0.00 C ATOM 1062 C ARG A 64 -0.555 8.864 14.401 1.00 0.00 C ATOM 1063 O ARG A 64 -0.763 9.606 15.360 1.00 0.00 O ATOM 1064 CB ARG A 64 1.336 8.955 12.776 1.00 0.00 C ATOM 1065 CG ARG A 64 1.957 10.334 12.916 1.00 0.00 C ATOM 1066 CD ARG A 64 0.899 11.418 13.056 1.00 0.00 C ATOM 1067 NE ARG A 64 -0.013 11.450 11.913 1.00 0.00 N ATOM 1068 CZ ARG A 64 -0.425 12.565 11.312 1.00 0.00 C ATOM 1069 NH1 ARG A 64 -0.033 13.757 11.749 1.00 0.00 N ATOM 1070 NH2 ARG A 64 -1.243 12.487 10.272 1.00 0.00 N ATOM 0 H ARG A 64 1.258 6.521 13.176 1.00 0.00 H new ATOM 0 HA ARG A 64 1.513 8.685 14.905 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.067 8.280 12.331 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.495 9.013 12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.612 10.351 13.787 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.579 10.543 12.045 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.328 11.251 13.970 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.386 12.388 13.157 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.356 10.560 11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.590 13.826 12.553 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.356 14.603 11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.554 11.576 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.561 13.338 9.809 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.517 8.460 13.583 1.00 0.00 N ATOM 1085 CA GLU A 65 -2.900 8.875 13.777 1.00 0.00 C ATOM 1086 C GLU A 65 -3.583 8.011 14.839 1.00 0.00 C ATOM 1087 O GLU A 65 -4.546 8.441 15.474 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.664 8.801 12.453 1.00 0.00 C ATOM 1089 CG GLU A 65 -3.266 9.882 11.462 1.00 0.00 C ATOM 1090 CD GLU A 65 -4.028 11.178 11.658 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -5.183 11.265 11.191 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -3.468 12.109 12.275 1.00 0.00 O ATOM 0 H GLU A 65 -1.367 7.848 12.781 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.904 9.907 14.127 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.496 7.824 12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.732 8.879 12.654 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.198 10.078 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.435 9.518 10.449 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.075 6.791 15.032 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.636 5.872 16.023 1.00 0.00 C ATOM 1101 C LEU A 66 -3.441 6.409 17.437 1.00 0.00 C ATOM 1102 O LEU A 66 -2.461 6.079 18.105 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.984 4.489 15.902 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.862 3.411 15.266 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.229 3.791 13.844 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -3.167 2.059 15.297 1.00 0.00 C ATOM 0 H LEU A 66 -2.278 6.418 14.516 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.705 5.782 15.828 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.071 4.585 15.314 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.689 4.155 16.897 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.780 3.334 15.849 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.854 3.011 13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.776 4.734 13.849 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.321 3.901 13.251 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.811 1.308 14.839 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.230 2.119 14.744 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.961 1.779 16.330 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.381 7.227 17.894 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.291 7.778 19.231 1.00 0.00 C ATOM 1120 C GLY A 67 -4.517 6.725 20.306 1.00 0.00 C ATOM 1121 O GLY A 67 -4.291 6.979 21.489 1.00 0.00 O ATOM 0 H GLY A 67 -5.202 7.518 17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.309 8.231 19.370 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.028 8.573 19.344 1.00 0.00 H new ATOM 1125 N THR A 68 -4.967 5.543 19.890 1.00 0.00 N ATOM 1126 CA THR A 68 -5.229 4.446 20.813 1.00 0.00 C ATOM 1127 C THR A 68 -4.027 3.513 20.912 1.00 0.00 C ATOM 1128 O THR A 68 -3.073 3.628 20.145 1.00 0.00 O ATOM 1129 CB THR A 68 -6.463 3.658 20.380 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.165 2.848 19.262 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.640 4.538 20.015 1.00 0.00 C ATOM 0 H THR A 68 -5.158 5.322 18.913 1.00 0.00 H new ATOM 0 HA THR A 68 -5.413 4.879 21.796 1.00 0.00 H new ATOM 0 HB THR A 68 -6.742 3.054 21.244 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.525 3.312 18.683 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.482 3.914 19.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.923 5.142 20.877 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.363 5.192 19.188 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.083 2.602 21.878 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.009 1.640 22.118 1.00 0.00 C ATOM 1141 C ALA A 69 -2.370 1.140 20.823 1.00 0.00 C ATOM 1142 O ALA A 69 -1.210 1.436 20.541 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.541 0.466 22.920 1.00 0.00 C ATOM 0 H ALA A 69 -4.873 2.508 22.517 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.231 2.156 22.681 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.737 -0.248 23.096 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.926 0.823 23.875 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.343 -0.020 22.365 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.127 0.372 20.049 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.605 -0.164 18.805 1.00 0.00 C ATOM 1151 C GLY A 70 -1.887 -1.482 19.011 1.00 0.00 C ATOM 1152 O GLY A 70 -0.797 -1.521 19.581 1.00 0.00 O ATOM 0 H GLY A 70 -4.090 0.111 20.259 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.424 -0.304 18.099 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.919 0.557 18.359 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.504 -2.564 18.553 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.920 -3.893 18.694 1.00 0.00 C ATOM 1158 C ASN A 71 -2.560 -4.877 17.720 1.00 0.00 C ATOM 1159 O ASN A 71 -3.660 -4.643 17.222 1.00 0.00 O ATOM 1160 CB ASN A 71 -2.088 -4.398 20.130 1.00 0.00 C ATOM 1161 CG ASN A 71 -1.301 -5.665 20.394 1.00 0.00 C ATOM 1162 OD1 ASN A 71 -1.862 -6.761 20.452 1.00 0.00 O ATOM 1163 ND2 ASN A 71 0.008 -5.522 20.557 1.00 0.00 N ATOM 0 H ASN A 71 -3.408 -2.548 18.081 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.857 -3.820 18.463 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.766 -3.622 20.825 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.144 -4.583 20.326 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.592 -6.339 20.738 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.431 -4.595 20.501 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.869 -5.981 17.456 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.379 -7.000 16.541 1.00 0.00 C ATOM 1172 C LEU A 72 -3.392 -7.915 17.230 1.00 0.00 C ATOM 1173 O LEU A 72 -3.060 -8.660 18.149 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.226 -7.821 15.939 1.00 0.00 C ATOM 1175 CG LEU A 72 -0.603 -8.910 16.831 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.416 -8.429 18.271 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -1.441 -10.184 16.787 1.00 0.00 C ATOM 0 H LEU A 72 -0.957 -6.194 17.860 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.895 -6.486 15.730 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.589 -8.296 15.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.435 -7.130 15.646 1.00 0.00 H new ATOM 0 HG LEU A 72 0.388 -9.132 16.434 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.026 -9.228 18.867 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.243 -7.561 18.282 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.384 -8.156 18.692 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.985 -10.942 17.424 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.448 -9.969 17.144 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.490 -10.552 15.762 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.636 -7.848 16.773 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.705 -8.672 17.329 1.00 0.00 C ATOM 1191 C GLU A 73 -6.041 -9.816 16.380 1.00 0.00 C ATOM 1192 O GLU A 73 -5.796 -9.720 15.176 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.956 -7.831 17.577 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.149 -7.428 19.026 1.00 0.00 C ATOM 1195 CD GLU A 73 -6.010 -6.580 19.557 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -5.223 -6.057 18.739 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -5.906 -6.438 20.793 1.00 0.00 O ATOM 0 H GLU A 73 -4.931 -7.230 16.017 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.359 -9.083 18.277 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.904 -6.931 16.964 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.830 -8.392 17.247 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.083 -6.875 19.123 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.244 -8.325 19.638 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.609 -10.892 16.918 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.973 -12.028 16.089 1.00 0.00 C ATOM 1206 C GLY A 74 -5.817 -12.522 15.243 1.00 0.00 C ATOM 1207 O GLY A 74 -4.735 -11.936 15.254 1.00 0.00 O ATOM 0 H GLY A 74 -6.823 -10.997 17.910 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.327 -12.840 16.725 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.802 -11.749 15.439 1.00 0.00 H new ATOM 1211 N GLY A 75 -6.049 -13.601 14.504 1.00 0.00 N ATOM 1212 CA GLY A 75 -5.012 -14.153 13.652 1.00 0.00 C ATOM 1213 C GLY A 75 -4.497 -13.144 12.643 1.00 0.00 C ATOM 1214 O GLY A 75 -3.378 -13.270 12.146 1.00 0.00 O ATOM 0 H GLY A 75 -6.936 -14.103 14.480 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.184 -14.500 14.270 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.403 -15.023 13.125 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.313 -12.137 12.343 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.930 -11.102 11.393 1.00 0.00 C ATOM 1220 C ARG A 76 -4.360 -9.894 12.129 1.00 0.00 C ATOM 1221 O ARG A 76 -3.934 -10.004 13.279 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.133 -10.691 10.536 1.00 0.00 C ATOM 1223 CG ARG A 76 -6.974 -11.868 10.070 1.00 0.00 C ATOM 1224 CD ARG A 76 -6.158 -12.833 9.225 1.00 0.00 C ATOM 1225 NE ARG A 76 -6.826 -13.169 7.970 1.00 0.00 N ATOM 1226 CZ ARG A 76 -7.411 -14.341 7.722 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -7.429 -15.300 8.644 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -7.990 -14.549 6.548 1.00 0.00 N ATOM 0 H ARG A 76 -6.243 -12.018 12.745 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.159 -11.502 10.734 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.762 -10.009 11.109 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.778 -10.141 9.665 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.379 -12.393 10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.823 -11.504 9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.185 -12.391 9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.975 -13.745 9.793 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.846 -12.461 7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.992 -15.143 9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.880 -16.193 8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.986 -13.814 5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.439 -15.444 6.352 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.348 -8.743 11.467 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.825 -7.527 12.072 1.00 0.00 C ATOM 1244 C ALA A 77 -4.952 -6.578 12.458 1.00 0.00 C ATOM 1245 O ALA A 77 -5.185 -5.566 11.792 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.857 -6.846 11.122 1.00 0.00 C ATOM 0 H ALA A 77 -4.694 -8.628 10.514 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.292 -7.800 12.983 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.472 -5.937 11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.029 -7.520 10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.374 -6.591 10.197 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.647 -6.907 13.541 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.745 -6.082 14.018 1.00 0.00 C ATOM 1254 C ILE A 78 -6.237 -5.053 15.026 1.00 0.00 C ATOM 1255 O ILE A 78 -6.144 -5.323 16.221 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.863 -6.945 14.651 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -8.660 -7.657 13.561 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.799 -6.102 15.509 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.110 -9.014 13.196 1.00 0.00 C ATOM 0 H ILE A 78 -5.468 -7.739 14.103 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.168 -5.559 13.160 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.388 -7.685 15.294 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.692 -7.770 13.893 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.679 -7.031 12.669 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.572 -6.739 15.938 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.231 -5.630 16.311 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.264 -5.333 14.892 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.728 -9.459 12.416 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.088 -8.907 12.833 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.117 -9.658 14.075 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.898 -3.871 14.528 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.393 -2.796 15.374 1.00 0.00 C ATOM 1273 C LEU A 79 -6.521 -1.849 15.755 1.00 0.00 C ATOM 1274 O LEU A 79 -7.659 -2.037 15.336 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.291 -2.028 14.649 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.726 -1.384 13.333 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.250 0.026 13.576 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.574 -1.378 12.339 1.00 0.00 C ATOM 0 H LEU A 79 -5.964 -3.631 13.539 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.980 -3.235 16.282 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.912 -1.250 15.312 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.463 -2.708 14.450 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.537 -1.974 12.906 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.555 0.469 12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.106 -0.015 14.250 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.464 0.634 14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.900 -0.916 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.740 -0.811 12.752 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.256 -2.402 12.144 1.00 0.00 H new ATOM 1290 N GLN A 80 -6.206 -0.827 16.544 1.00 0.00 N ATOM 1291 CA GLN A 80 -7.211 0.143 16.966 1.00 0.00 C ATOM 1292 C GLN A 80 -6.653 1.559 16.937 1.00 0.00 C ATOM 1293 O GLN A 80 -5.462 1.770 17.158 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.714 -0.179 18.375 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.786 0.782 18.863 1.00 0.00 C ATOM 1296 CD GLN A 80 -9.695 0.168 19.909 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -9.246 -0.226 20.986 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -10.984 0.086 19.598 1.00 0.00 N ATOM 0 H GLN A 80 -5.268 -0.649 16.903 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.043 0.080 16.265 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.112 -1.194 18.389 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.873 -0.157 19.068 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.309 1.670 19.279 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.386 1.110 18.015 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.313 0.425 18.694 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.645 -0.316 20.263 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.526 2.524 16.668 1.00 0.00 N ATOM 1308 CA GLY A 81 -7.106 3.912 16.621 1.00 0.00 C ATOM 1309 C GLY A 81 -8.014 4.775 15.766 1.00 0.00 C ATOM 1310 O GLY A 81 -9.219 4.853 16.008 1.00 0.00 O ATOM 0 H GLY A 81 -8.517 2.370 16.482 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.080 4.313 17.634 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.089 3.966 16.231 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.428 5.434 14.769 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.187 6.307 13.878 1.00 0.00 C ATOM 1316 C LYS A 82 -7.969 5.947 12.407 1.00 0.00 C ATOM 1317 O LYS A 82 -8.687 6.432 11.531 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.805 7.767 14.121 1.00 0.00 C ATOM 1319 CG LYS A 82 -8.997 8.710 14.139 1.00 0.00 C ATOM 1320 CD LYS A 82 -8.761 9.918 13.250 1.00 0.00 C ATOM 1321 CE LYS A 82 -10.016 10.763 13.107 1.00 0.00 C ATOM 1322 NZ LYS A 82 -10.418 11.387 14.397 1.00 0.00 N ATOM 0 H LYS A 82 -6.431 5.380 14.558 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.245 6.166 14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.277 7.843 15.072 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.110 8.087 13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.888 8.179 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.187 9.040 15.161 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.958 10.526 13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.431 9.587 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.845 11.543 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.831 10.142 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.258 11.981 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.639 10.643 15.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.638 11.974 14.757 1.00 0.00 H new ATOM 1336 N PHE A 83 -6.987 5.088 12.136 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.694 4.662 10.768 1.00 0.00 C ATOM 1338 C PHE A 83 -7.762 3.686 10.268 1.00 0.00 C ATOM 1339 O PHE A 83 -7.444 2.619 9.746 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.314 3.997 10.709 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.278 4.800 9.980 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -3.770 5.964 10.524 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.806 4.378 8.752 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -2.809 6.697 9.852 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.848 5.103 8.074 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.348 6.264 8.623 1.00 0.00 C ATOM 0 H PHE A 83 -6.382 4.674 12.845 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.696 5.542 10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.967 3.814 11.726 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.411 3.025 10.226 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.127 6.305 11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.192 3.468 8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.420 7.606 10.287 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.490 4.761 7.114 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.598 6.834 8.094 1.00 0.00 H new ATOM 1356 N THR A 84 -9.028 4.056 10.430 1.00 0.00 N ATOM 1357 CA THR A 84 -10.126 3.208 9.994 1.00 0.00 C ATOM 1358 C THR A 84 -10.468 3.478 8.533 1.00 0.00 C ATOM 1359 O THR A 84 -11.481 4.105 8.222 1.00 0.00 O ATOM 1360 CB THR A 84 -11.352 3.428 10.879 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.997 4.646 10.555 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.027 3.456 12.358 1.00 0.00 C ATOM 0 H THR A 84 -9.316 4.935 10.859 1.00 0.00 H new ATOM 0 HA THR A 84 -9.813 2.168 10.085 1.00 0.00 H new ATOM 0 HB THR A 84 -12.003 2.576 10.684 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.390 4.580 9.660 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.942 3.616 12.929 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.578 2.507 12.650 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.327 4.266 12.561 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.602 3.005 7.643 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.782 3.190 6.206 1.00 0.00 C ATOM 1372 C HIS A 85 -9.902 4.676 5.880 1.00 0.00 C ATOM 1373 O HIS A 85 -10.649 5.073 4.986 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.049 2.449 5.754 1.00 0.00 C ATOM 1375 CG HIS A 85 -10.918 1.702 4.462 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -11.925 0.905 3.955 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -9.902 1.627 3.572 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -11.535 0.371 2.814 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -10.311 0.795 2.556 1.00 0.00 N ATOM 0 H HIS A 85 -8.761 2.486 7.894 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.918 2.786 5.678 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.339 1.746 6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.860 3.171 5.658 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -12.832 0.753 4.396 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -8.948 2.127 3.646 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -12.116 -0.298 2.197 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.138 5.489 6.605 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.133 6.929 6.391 1.00 0.00 C ATOM 1389 C PHE A 86 -8.031 7.336 5.417 1.00 0.00 C ATOM 1390 O PHE A 86 -8.260 7.437 4.211 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.993 7.675 7.722 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.270 8.338 8.157 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.688 9.519 7.565 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -11.057 7.773 9.147 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.866 10.127 7.956 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -12.237 8.376 9.541 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.642 9.555 8.945 1.00 0.00 C ATOM 0 H PHE A 86 -8.514 5.172 7.347 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.088 7.207 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.672 6.975 8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.211 8.429 7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.087 9.969 6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.745 6.851 9.616 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.179 11.049 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.842 7.926 10.314 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.563 10.028 9.252 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.831 7.562 5.952 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.690 7.953 5.137 1.00 0.00 C ATOM 1409 C LEU A 87 -5.291 6.814 4.208 1.00 0.00 C ATOM 1410 O LEU A 87 -4.829 7.044 3.093 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.500 8.341 6.026 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.366 9.835 6.347 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -4.282 10.662 5.073 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -5.523 10.303 7.218 1.00 0.00 C ATOM 0 H LEU A 87 -6.628 7.480 6.948 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.977 8.818 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.578 7.793 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.583 8.010 5.538 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.439 9.979 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.188 11.717 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.413 10.350 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.185 10.512 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.409 11.365 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.464 10.138 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.526 9.741 8.152 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.468 5.585 4.681 1.00 0.00 N ATOM 1427 CA ILE A 88 -5.119 4.409 3.893 1.00 0.00 C ATOM 1428 C ILE A 88 -5.874 4.391 2.565 1.00 0.00 C ATOM 1429 O ILE A 88 -5.271 4.432 1.494 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.440 3.104 4.655 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.838 3.126 6.071 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.942 1.893 3.870 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.008 1.817 6.815 1.00 0.00 C ATOM 0 H ILE A 88 -5.850 5.378 5.604 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.047 4.466 3.706 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.522 3.027 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.776 3.362 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.306 3.926 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.176 0.982 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.431 1.865 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.863 1.967 3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.561 1.901 7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.069 1.590 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.515 1.017 6.262 1.00 0.00 H new ATOM 1445 N ASN A 89 -7.201 4.318 2.643 1.00 0.00 N ATOM 1446 CA ASN A 89 -8.044 4.280 1.447 1.00 0.00 C ATOM 1447 C ASN A 89 -7.750 5.451 0.516 1.00 0.00 C ATOM 1448 O ASN A 89 -7.615 5.275 -0.694 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.524 4.294 1.837 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.381 3.445 0.914 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -11.273 2.727 1.364 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -10.121 3.529 -0.386 1.00 0.00 N ATOM 0 H ASN A 89 -7.717 4.284 3.522 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.816 3.356 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.630 3.932 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.890 5.321 1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.670 2.986 -1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.372 4.137 -0.718 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.670 6.648 1.087 1.00 0.00 N ATOM 1460 CA GLU A 90 -7.410 7.853 0.306 1.00 0.00 C ATOM 1461 C GLU A 90 -6.058 7.784 -0.399 1.00 0.00 C ATOM 1462 O GLU A 90 -5.983 7.911 -1.621 1.00 0.00 O ATOM 1463 CB GLU A 90 -7.465 9.083 1.211 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.274 10.392 0.464 1.00 0.00 C ATOM 1465 CD GLU A 90 -6.446 11.393 1.247 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -5.782 10.982 2.222 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -6.463 12.588 0.885 1.00 0.00 O ATOM 0 H GLU A 90 -7.781 6.810 2.088 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.182 7.929 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.426 9.104 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.695 8.995 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.789 10.194 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.249 10.826 0.243 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.992 7.579 0.369 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.651 7.493 -0.203 1.00 0.00 C ATOM 1476 C ARG A 91 -3.591 6.415 -1.279 1.00 0.00 C ATOM 1477 O ARG A 91 -3.014 6.621 -2.347 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.619 7.194 0.886 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.723 8.375 1.225 1.00 0.00 C ATOM 1480 CD ARG A 91 -1.730 8.673 2.715 1.00 0.00 C ATOM 1481 NE ARG A 91 -0.633 9.556 3.102 1.00 0.00 N ATOM 1482 CZ ARG A 91 -0.697 10.883 3.051 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -1.805 11.488 2.637 1.00 0.00 N ATOM 1484 NH2 ARG A 91 0.352 11.608 3.414 1.00 0.00 N ATOM 0 H ARG A 91 -5.029 7.470 1.382 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.418 8.456 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.140 6.874 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.997 6.359 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.704 8.164 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.057 9.255 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.679 9.133 2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.657 7.739 3.272 1.00 0.00 H new ATOM 0 HE ARG A 91 0.233 9.130 3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.614 10.934 2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.847 12.506 2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.205 11.148 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.306 12.626 3.376 1.00 0.00 H new ATOM 1498 N ILE A 92 -4.190 5.263 -0.990 1.00 0.00 N ATOM 1499 CA ILE A 92 -4.204 4.155 -1.933 1.00 0.00 C ATOM 1500 C ILE A 92 -4.853 4.579 -3.251 1.00 0.00 C ATOM 1501 O ILE A 92 -4.248 4.470 -4.317 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.962 2.937 -1.348 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -4.157 2.308 -0.208 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -5.258 1.890 -2.418 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.876 1.169 0.477 1.00 0.00 C ATOM 0 H ILE A 92 -4.671 5.075 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.170 3.866 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.915 3.298 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.208 1.945 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.924 3.076 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.790 1.051 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.874 2.334 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.322 1.536 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.249 0.770 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.813 1.532 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.086 0.383 -0.248 1.00 0.00 H new ATOM 1517 N GLU A 93 -6.091 5.057 -3.165 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.837 5.495 -4.344 1.00 0.00 C ATOM 1519 C GLU A 93 -6.025 6.486 -5.174 1.00 0.00 C ATOM 1520 O GLU A 93 -6.204 6.587 -6.387 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.173 6.124 -3.929 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.118 6.382 -5.094 1.00 0.00 C ATOM 1523 CD GLU A 93 -10.190 5.316 -5.226 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -10.063 4.261 -4.571 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -11.158 5.539 -5.985 1.00 0.00 O ATOM 0 H GLU A 93 -6.602 5.152 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.035 4.618 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.666 5.468 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.977 7.066 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.593 7.354 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.543 6.430 -6.019 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.132 7.216 -4.519 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.301 8.193 -5.207 1.00 0.00 C ATOM 1534 C ASP A 94 -3.171 7.511 -5.975 1.00 0.00 C ATOM 1535 O ASP A 94 -2.759 7.982 -7.034 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.728 9.198 -4.206 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.022 10.354 -4.886 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -3.637 10.990 -5.769 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -1.855 10.626 -4.535 1.00 0.00 O ATOM 0 H ASP A 94 -4.965 7.150 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.926 8.723 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.534 9.585 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.029 8.688 -3.544 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.676 6.400 -5.439 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.595 5.661 -6.084 1.00 0.00 C ATOM 1546 C TYR A 95 -2.144 4.684 -7.119 1.00 0.00 C ATOM 1547 O TYR A 95 -1.804 4.759 -8.299 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.772 4.903 -5.041 1.00 0.00 C ATOM 1549 CG TYR A 95 0.262 3.970 -5.636 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.317 4.460 -6.394 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.182 2.598 -5.432 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.265 3.609 -6.931 1.00 0.00 C ATOM 1553 CE2 TYR A 95 1.124 1.741 -5.964 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.165 2.250 -6.712 1.00 0.00 C ATOM 1555 OH TYR A 95 3.108 1.398 -7.243 1.00 0.00 O ATOM 0 H TYR A 95 -3.004 5.992 -4.563 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.953 6.380 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.269 5.623 -4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.447 4.326 -4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.398 5.523 -6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.631 2.195 -4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.080 4.006 -7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.046 0.677 -5.795 1.00 0.00 H new ATOM 0 HH TYR A 95 2.892 0.475 -6.994 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.991 3.767 -6.667 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.581 2.776 -7.555 1.00 0.00 C ATOM 1567 C VAL A 96 -4.359 3.452 -8.680 1.00 0.00 C ATOM 1568 O VAL A 96 -4.284 3.030 -9.834 1.00 0.00 O ATOM 1569 CB VAL A 96 -4.517 1.814 -6.791 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.047 0.726 -7.714 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -3.796 1.199 -5.600 1.00 0.00 C ATOM 0 H VAL A 96 -3.283 3.690 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.760 2.197 -7.979 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.366 2.389 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.704 0.061 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.605 1.182 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.212 0.154 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.472 0.524 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.926 0.642 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.473 1.989 -4.922 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.100 4.508 -8.345 1.00 0.00 N ATOM 1582 CA ASN A 97 -5.878 5.237 -9.340 1.00 0.00 C ATOM 1583 C ASN A 97 -5.291 6.625 -9.584 1.00 0.00 C ATOM 1584 O ASN A 97 -6.011 7.623 -9.594 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.337 5.355 -8.897 1.00 0.00 C ATOM 1586 CG ASN A 97 -7.932 4.017 -8.507 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -8.287 3.797 -7.350 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -8.041 3.113 -9.476 1.00 0.00 N ATOM 0 H ASN A 97 -5.176 4.875 -7.396 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.837 4.677 -10.274 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.403 6.039 -8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.925 5.790 -9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.432 2.193 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.733 3.340 -10.422 1.00 0.00 H new ATOM 1595 N LYS A 98 -3.979 6.677 -9.796 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.288 7.941 -10.048 1.00 0.00 C ATOM 1597 C LYS A 98 -3.434 8.378 -11.504 1.00 0.00 C ATOM 1598 O LYS A 98 -2.967 9.449 -11.885 1.00 0.00 O ATOM 1599 CB LYS A 98 -1.806 7.810 -9.697 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.194 9.101 -9.184 1.00 0.00 C ATOM 1601 CD LYS A 98 0.263 9.227 -9.591 1.00 0.00 C ATOM 1602 CE LYS A 98 1.107 9.784 -8.457 1.00 0.00 C ATOM 1603 NZ LYS A 98 1.472 8.736 -7.460 1.00 0.00 N ATOM 0 H LYS A 98 -3.371 5.858 -9.799 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.748 8.701 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.686 7.034 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.258 7.482 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.756 9.951 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.274 9.136 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.646 8.250 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.345 9.878 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.015 10.227 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.560 10.584 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.047 9.161 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.607 8.331 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.017 7.985 -7.930 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.083 7.550 -12.317 1.00 0.00 N ATOM 1618 CA PHE A 99 -4.282 7.874 -13.727 1.00 0.00 C ATOM 1619 C PHE A 99 -5.411 8.885 -13.919 1.00 0.00 C ATOM 1620 O PHE A 99 -5.255 9.870 -14.641 1.00 0.00 O ATOM 1621 CB PHE A 99 -4.551 6.607 -14.544 1.00 0.00 C ATOM 1622 CG PHE A 99 -5.685 5.760 -14.031 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -5.477 4.837 -13.017 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -6.955 5.878 -14.574 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -6.513 4.049 -12.555 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -7.995 5.092 -14.114 1.00 0.00 C ATOM 1627 CZ PHE A 99 -7.775 4.176 -13.104 1.00 0.00 C ATOM 0 H PHE A 99 -4.478 6.655 -12.027 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.362 8.332 -14.089 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.765 6.893 -15.574 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.644 6.003 -14.563 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.493 4.733 -12.583 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.134 6.592 -15.365 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.337 3.334 -11.765 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -8.980 5.194 -14.545 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.587 3.561 -12.744 1.00 0.00 H new ATOM 1637 N VAL A 100 -6.548 8.634 -13.279 1.00 0.00 N ATOM 1638 CA VAL A 100 -7.698 9.526 -13.398 1.00 0.00 C ATOM 1639 C VAL A 100 -7.603 10.705 -12.431 1.00 0.00 C ATOM 1640 O VAL A 100 -8.092 11.795 -12.724 1.00 0.00 O ATOM 1641 CB VAL A 100 -9.024 8.776 -13.156 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -9.050 8.166 -11.763 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -10.212 9.708 -13.366 1.00 0.00 C ATOM 0 H VAL A 100 -6.699 7.825 -12.676 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.686 9.907 -14.419 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.098 7.964 -13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.994 7.642 -11.613 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.224 7.463 -11.658 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.951 8.956 -11.018 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.139 9.161 -13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.146 10.544 -12.669 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.201 10.086 -14.388 1.00 0.00 H new ATOM 1653 N ILE A 101 -6.975 10.489 -11.278 1.00 0.00 N ATOM 1654 CA ILE A 101 -6.832 11.548 -10.287 1.00 0.00 C ATOM 1655 C ILE A 101 -5.680 12.483 -10.646 1.00 0.00 C ATOM 1656 O ILE A 101 -5.823 13.706 -10.606 1.00 0.00 O ATOM 1657 CB ILE A 101 -6.608 10.977 -8.871 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -6.627 12.096 -7.832 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -5.298 10.219 -8.804 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -8.006 12.397 -7.289 1.00 0.00 C ATOM 0 H ILE A 101 -6.560 9.597 -11.010 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.765 12.111 -10.290 1.00 0.00 H new ATOM 0 HB ILE A 101 -7.420 10.285 -8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.972 11.823 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.216 13.002 -8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.157 9.824 -7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.317 9.396 -9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.476 10.892 -9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.941 13.202 -6.557 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.660 12.702 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.412 11.505 -6.812 1.00 0.00 H new ATOM 1672 N CYS A 102 -4.534 11.902 -10.994 1.00 0.00 N ATOM 1673 CA CYS A 102 -3.364 12.693 -11.355 1.00 0.00 C ATOM 1674 C CYS A 102 -3.302 12.939 -12.865 1.00 0.00 C ATOM 1675 O CYS A 102 -2.423 13.653 -13.347 1.00 0.00 O ATOM 1676 CB CYS A 102 -2.081 12.009 -10.885 1.00 0.00 C ATOM 1677 SG CYS A 102 -0.647 13.106 -10.794 1.00 0.00 S ATOM 0 H CYS A 102 -4.393 10.893 -11.033 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.454 13.657 -10.854 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.254 11.574 -9.901 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.852 11.186 -11.562 1.00 0.00 H new ATOM 1682 N HIS A 103 -4.237 12.343 -13.606 1.00 0.00 N ATOM 1683 CA HIS A 103 -4.285 12.500 -15.057 1.00 0.00 C ATOM 1684 C HIS A 103 -3.029 11.934 -15.713 1.00 0.00 C ATOM 1685 O HIS A 103 -2.409 12.586 -16.553 1.00 0.00 O ATOM 1686 CB HIS A 103 -4.454 13.975 -15.430 1.00 0.00 C ATOM 1687 CG HIS A 103 -5.813 14.516 -15.106 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -6.130 15.857 -15.172 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -6.945 13.885 -14.712 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -7.394 16.029 -14.831 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -7.912 14.847 -14.548 1.00 0.00 N ATOM 0 H HIS A 103 -4.971 11.747 -13.223 1.00 0.00 H new ATOM 0 HA HIS A 103 -5.145 11.941 -15.426 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -3.702 14.564 -14.905 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -4.267 14.097 -16.497 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.065 12.823 -14.556 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.915 16.974 -14.790 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.874 14.676 -14.255 1.00 0.00 H new ATOM 1699 N GLU A 104 -2.661 10.715 -15.317 1.00 0.00 N ATOM 1700 CA GLU A 104 -1.475 10.044 -15.853 1.00 0.00 C ATOM 1701 C GLU A 104 -0.295 11.003 -15.963 1.00 0.00 C ATOM 1702 O GLU A 104 0.041 11.464 -17.053 1.00 0.00 O ATOM 1703 CB GLU A 104 -1.764 9.400 -17.215 1.00 0.00 C ATOM 1704 CG GLU A 104 -2.188 10.375 -18.301 1.00 0.00 C ATOM 1705 CD GLU A 104 -3.693 10.474 -18.440 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -4.363 9.420 -18.401 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -4.203 11.603 -18.591 1.00 0.00 O ATOM 0 H GLU A 104 -3.171 10.169 -14.622 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.210 9.254 -15.150 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.871 8.871 -17.549 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.548 8.653 -17.090 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.782 11.361 -18.077 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.759 10.062 -19.253 1.00 0.00 H new ATOM 1714 N CYS A 105 0.325 11.306 -14.828 1.00 0.00 N ATOM 1715 CA CYS A 105 1.467 12.216 -14.796 1.00 0.00 C ATOM 1716 C CYS A 105 2.673 11.618 -15.521 1.00 0.00 C ATOM 1717 O CYS A 105 3.739 11.436 -14.931 1.00 0.00 O ATOM 1718 CB CYS A 105 1.836 12.544 -13.348 1.00 0.00 C ATOM 1719 SG CYS A 105 2.161 14.295 -13.051 1.00 0.00 S ATOM 0 H CYS A 105 0.057 10.935 -13.916 1.00 0.00 H new ATOM 0 HA CYS A 105 1.183 13.133 -15.312 1.00 0.00 H new ATOM 0 HB2 CYS A 105 1.026 12.220 -12.695 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.719 11.969 -13.070 1.00 0.00 H new ATOM 1724 N ASN A 106 2.505 11.325 -16.806 1.00 0.00 N ATOM 1725 CA ASN A 106 3.580 10.764 -17.611 1.00 0.00 C ATOM 1726 C ASN A 106 4.637 11.827 -17.910 1.00 0.00 C ATOM 1727 O ASN A 106 5.558 12.034 -17.119 1.00 0.00 O ATOM 1728 CB ASN A 106 3.019 10.177 -18.910 1.00 0.00 C ATOM 1729 CG ASN A 106 2.506 8.761 -18.730 1.00 0.00 C ATOM 1730 OD1 ASN A 106 1.951 8.419 -17.686 1.00 0.00 O ATOM 1731 ND2 ASN A 106 2.689 7.929 -19.750 1.00 0.00 N ATOM 0 H ASN A 106 1.631 11.468 -17.312 1.00 0.00 H new ATOM 0 HA ASN A 106 4.055 9.962 -17.047 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.209 10.811 -19.272 1.00 0.00 H new ATOM 0 HB3 ASN A 106 3.796 10.185 -19.674 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.364 6.964 -19.686 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.154 8.255 -20.597 1.00 0.00 H new ATOM 1738 N ARG A 107 4.496 12.508 -19.048 1.00 0.00 N ATOM 1739 CA ARG A 107 5.434 13.556 -19.437 1.00 0.00 C ATOM 1740 C ARG A 107 4.825 14.958 -19.284 1.00 0.00 C ATOM 1741 O ARG A 107 4.727 15.698 -20.263 1.00 0.00 O ATOM 1742 CB ARG A 107 5.883 13.350 -20.888 1.00 0.00 C ATOM 1743 CG ARG A 107 6.844 12.188 -21.080 1.00 0.00 C ATOM 1744 CD ARG A 107 6.157 10.851 -20.853 1.00 0.00 C ATOM 1745 NE ARG A 107 6.645 10.181 -19.649 1.00 0.00 N ATOM 1746 CZ ARG A 107 7.172 8.957 -19.631 1.00 0.00 C ATOM 1747 NH1 ARG A 107 7.295 8.253 -20.750 1.00 0.00 N ATOM 1748 NH2 ARG A 107 7.584 8.435 -18.483 1.00 0.00 N ATOM 0 H ARG A 107 3.740 12.351 -19.715 1.00 0.00 H new ATOM 0 HA ARG A 107 6.293 13.487 -18.769 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.003 13.186 -21.510 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.359 14.264 -21.243 1.00 0.00 H new ATOM 0 HG2 ARG A 107 7.257 12.219 -22.088 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.681 12.289 -20.390 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.081 11.006 -20.771 1.00 0.00 H new ATOM 0 HD3 ARG A 107 6.321 10.208 -21.717 1.00 0.00 H new ATOM 0 HE ARG A 107 6.578 10.684 -18.764 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.984 8.648 -21.638 1.00 0.00 H new ATOM 0 HH12 ARG A 107 7.700 7.317 -20.722 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.497 8.970 -17.619 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.988 7.499 -18.464 1.00 0.00 H new ATOM 1762 N PRO A 108 4.406 15.359 -18.066 1.00 0.00 N ATOM 1763 CA PRO A 108 3.817 16.685 -17.844 1.00 0.00 C ATOM 1764 C PRO A 108 4.696 17.807 -18.387 1.00 0.00 C ATOM 1765 O PRO A 108 5.918 17.771 -18.244 1.00 0.00 O ATOM 1766 CB PRO A 108 3.722 16.791 -16.320 1.00 0.00 C ATOM 1767 CG PRO A 108 3.687 15.387 -15.833 1.00 0.00 C ATOM 1768 CD PRO A 108 4.472 14.570 -16.822 1.00 0.00 C ATOM 0 HA PRO A 108 2.860 16.788 -18.355 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.576 17.329 -15.909 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.827 17.335 -16.018 1.00 0.00 H new ATOM 0 HG2 PRO A 108 4.122 15.312 -14.836 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.661 15.027 -15.761 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.502 14.427 -16.494 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.039 13.579 -16.954 1.00 0.00 H new ATOM 1776 N ASP A 109 4.069 18.808 -19.002 1.00 0.00 N ATOM 1777 CA ASP A 109 4.799 19.945 -19.555 1.00 0.00 C ATOM 1778 C ASP A 109 5.128 20.966 -18.462 1.00 0.00 C ATOM 1779 O ASP A 109 5.265 22.159 -18.733 1.00 0.00 O ATOM 1780 CB ASP A 109 3.978 20.609 -20.664 1.00 0.00 C ATOM 1781 CG ASP A 109 4.588 20.411 -22.038 1.00 0.00 C ATOM 1782 OD1 ASP A 109 5.171 19.333 -22.278 1.00 0.00 O ATOM 1783 OD2 ASP A 109 4.482 21.332 -22.873 1.00 0.00 O ATOM 0 H ASP A 109 3.058 18.854 -19.129 1.00 0.00 H new ATOM 0 HA ASP A 109 5.736 19.578 -19.975 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.967 20.201 -20.657 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.892 21.676 -20.459 1.00 0.00 H new ATOM 1788 N THR A 110 5.250 20.487 -17.227 1.00 0.00 N ATOM 1789 CA THR A 110 5.557 21.341 -16.090 1.00 0.00 C ATOM 1790 C THR A 110 6.772 20.812 -15.337 1.00 0.00 C ATOM 1791 O THR A 110 7.339 19.783 -15.704 1.00 0.00 O ATOM 1792 CB THR A 110 4.362 21.449 -15.148 1.00 0.00 C ATOM 1793 OG1 THR A 110 3.152 21.231 -15.850 1.00 0.00 O ATOM 1794 CG2 THR A 110 4.265 22.799 -14.462 1.00 0.00 C ATOM 0 H THR A 110 5.139 19.501 -16.990 1.00 0.00 H new ATOM 0 HA THR A 110 5.784 22.337 -16.471 1.00 0.00 H new ATOM 0 HB THR A 110 4.518 20.684 -14.387 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.849 20.311 -15.702 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.395 22.812 -13.806 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.166 22.974 -13.874 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.165 23.582 -15.213 1.00 0.00 H new ATOM 1802 N ARG A 111 7.179 21.532 -14.297 1.00 0.00 N ATOM 1803 CA ARG A 111 8.344 21.143 -13.515 1.00 0.00 C ATOM 1804 C ARG A 111 7.961 20.181 -12.397 1.00 0.00 C ATOM 1805 O ARG A 111 7.457 20.586 -11.351 1.00 0.00 O ATOM 1806 CB ARG A 111 9.009 22.383 -12.913 1.00 0.00 C ATOM 1807 CG ARG A 111 9.732 23.238 -13.936 1.00 0.00 C ATOM 1808 CD ARG A 111 11.070 22.628 -14.319 1.00 0.00 C ATOM 1809 NE ARG A 111 11.074 22.152 -15.700 1.00 0.00 N ATOM 1810 CZ ARG A 111 11.726 22.748 -16.695 1.00 0.00 C ATOM 1811 NH1 ARG A 111 12.434 23.852 -16.476 1.00 0.00 N ATOM 1812 NH2 ARG A 111 11.674 22.237 -17.919 1.00 0.00 N ATOM 0 H ARG A 111 6.720 22.385 -13.978 1.00 0.00 H new ATOM 0 HA ARG A 111 9.042 20.638 -14.183 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.250 22.988 -12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.718 22.070 -12.147 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.112 23.347 -14.826 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.888 24.238 -13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.858 23.369 -14.188 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.297 21.799 -13.648 1.00 0.00 H new ATOM 0 HE ARG A 111 10.543 21.308 -15.915 1.00 0.00 H new ATOM 0 HH11 ARG A 111 12.481 24.250 -15.538 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.930 24.301 -17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.135 21.389 -18.095 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.173 22.692 -18.683 1.00 0.00 H new ATOM 1826 N ILE A 112 8.214 18.897 -12.638 1.00 0.00 N ATOM 1827 CA ILE A 112 7.914 17.853 -11.669 1.00 0.00 C ATOM 1828 C ILE A 112 9.176 17.428 -10.921 1.00 0.00 C ATOM 1829 O ILE A 112 10.275 17.455 -11.474 1.00 0.00 O ATOM 1830 CB ILE A 112 7.290 16.616 -12.351 1.00 0.00 C ATOM 1831 CG1 ILE A 112 5.982 16.994 -13.049 1.00 0.00 C ATOM 1832 CG2 ILE A 112 7.051 15.505 -11.338 1.00 0.00 C ATOM 1833 CD1 ILE A 112 4.883 17.407 -12.094 1.00 0.00 C ATOM 0 H ILE A 112 8.630 18.555 -13.505 1.00 0.00 H new ATOM 0 HA ILE A 112 7.195 18.267 -10.962 1.00 0.00 H new ATOM 0 HB ILE A 112 7.991 16.249 -13.101 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.174 17.811 -13.744 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.638 16.146 -13.641 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.611 14.643 -11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.999 15.216 -10.885 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.371 15.859 -10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.986 17.661 -12.659 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.663 16.584 -11.415 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.207 18.275 -11.519 1.00 0.00 H new ATOM 1845 N ILE A 113 9.009 17.038 -9.663 1.00 0.00 N ATOM 1846 CA ILE A 113 10.136 16.608 -8.843 1.00 0.00 C ATOM 1847 C ILE A 113 9.728 15.469 -7.915 1.00 0.00 C ATOM 1848 O ILE A 113 8.687 15.531 -7.267 1.00 0.00 O ATOM 1849 CB ILE A 113 10.709 17.772 -8.004 1.00 0.00 C ATOM 1850 CG1 ILE A 113 9.637 18.834 -7.741 1.00 0.00 C ATOM 1851 CG2 ILE A 113 11.906 18.390 -8.711 1.00 0.00 C ATOM 1852 CD1 ILE A 113 9.708 19.430 -6.354 1.00 0.00 C ATOM 0 H ILE A 113 8.106 17.010 -9.189 1.00 0.00 H new ATOM 0 HA ILE A 113 10.911 16.259 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 113 11.035 17.374 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.739 19.632 -8.477 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.653 18.389 -7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.301 19.209 -8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 113 12.679 17.634 -8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 113 11.597 18.771 -9.684 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.920 20.174 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.576 18.642 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.679 19.904 -6.211 1.00 0.00 H new ATOM 1864 N ARG A 114 10.550 14.423 -7.864 1.00 0.00 N ATOM 1865 CA ARG A 114 10.265 13.265 -7.021 1.00 0.00 C ATOM 1866 C ARG A 114 11.430 12.967 -6.082 1.00 0.00 C ATOM 1867 O ARG A 114 12.560 12.764 -6.527 1.00 0.00 O ATOM 1868 CB ARG A 114 9.981 12.038 -7.887 1.00 0.00 C ATOM 1869 CG ARG A 114 8.998 11.062 -7.264 1.00 0.00 C ATOM 1870 CD ARG A 114 9.011 9.733 -7.992 1.00 0.00 C ATOM 1871 NE ARG A 114 10.365 9.211 -8.137 1.00 0.00 N ATOM 1872 CZ ARG A 114 10.694 8.222 -8.960 1.00 0.00 C ATOM 1873 NH1 ARG A 114 9.768 7.632 -9.706 1.00 0.00 N ATOM 1874 NH2 ARG A 114 11.956 7.819 -9.034 1.00 0.00 N ATOM 0 H ARG A 114 11.418 14.354 -8.396 1.00 0.00 H new ATOM 0 HA ARG A 114 9.386 13.498 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.591 12.367 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.919 11.519 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.250 10.908 -6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.994 11.485 -7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.400 9.013 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.560 9.853 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 114 11.104 9.631 -7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.797 7.938 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.028 6.873 -10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.669 8.268 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 114 12.213 7.060 -9.665 1.00 0.00 H new ATOM 1888 N GLU A 115 11.147 12.943 -4.783 1.00 0.00 N ATOM 1889 CA GLU A 115 12.169 12.669 -3.778 1.00 0.00 C ATOM 1890 C GLU A 115 11.737 11.515 -2.875 1.00 0.00 C ATOM 1891 O GLU A 115 10.559 11.376 -2.552 1.00 0.00 O ATOM 1892 CB GLU A 115 12.427 13.926 -2.940 1.00 0.00 C ATOM 1893 CG GLU A 115 13.283 13.685 -1.705 1.00 0.00 C ATOM 1894 CD GLU A 115 14.146 14.881 -1.351 1.00 0.00 C ATOM 1895 OE1 GLU A 115 14.318 15.765 -2.215 1.00 0.00 O ATOM 1896 OE2 GLU A 115 14.649 14.932 -0.209 1.00 0.00 O ATOM 0 H GLU A 115 10.216 13.110 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 115 13.090 12.383 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.914 14.673 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.470 14.345 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.637 13.445 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.922 12.818 -1.874 1.00 0.00 H new ATOM 1903 N GLY A 116 12.698 10.693 -2.462 1.00 0.00 N ATOM 1904 CA GLY A 116 12.388 9.570 -1.595 1.00 0.00 C ATOM 1905 C GLY A 116 12.283 8.254 -2.342 1.00 0.00 C ATOM 1906 O GLY A 116 11.615 7.328 -1.883 1.00 0.00 O ATOM 0 H GLY A 116 13.683 10.784 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.159 9.486 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.447 9.765 -1.080 1.00 0.00 H new ATOM 1910 N ARG A 117 12.942 8.164 -3.495 1.00 0.00 N ATOM 1911 CA ARG A 117 12.915 6.940 -4.293 1.00 0.00 C ATOM 1912 C ARG A 117 11.481 6.467 -4.520 1.00 0.00 C ATOM 1913 O ARG A 117 11.045 5.473 -3.938 1.00 0.00 O ATOM 1914 CB ARG A 117 13.723 5.841 -3.598 1.00 0.00 C ATOM 1915 CG ARG A 117 15.215 5.916 -3.873 1.00 0.00 C ATOM 1916 CD ARG A 117 15.525 5.640 -5.335 1.00 0.00 C ATOM 1917 NE ARG A 117 16.936 5.330 -5.550 1.00 0.00 N ATOM 1918 CZ ARG A 117 17.381 4.476 -6.471 1.00 0.00 C ATOM 1919 NH1 ARG A 117 16.530 3.847 -7.276 1.00 0.00 N ATOM 1920 NH2 ARG A 117 18.681 4.251 -6.590 1.00 0.00 N ATOM 0 H ARG A 117 13.498 8.919 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 117 13.363 7.157 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 117 13.557 5.905 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 117 13.351 4.869 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 117 15.587 6.904 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 117 15.739 5.194 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 117 14.914 4.807 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 117 15.250 6.509 -5.933 1.00 0.00 H new ATOM 0 HE ARG A 117 17.624 5.796 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 117 15.528 4.017 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 117 16.879 3.195 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 117 19.340 4.731 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 117 19.023 3.598 -7.295 1.00 0.00 H new ATOM 1934 N ILE A 118 10.752 7.185 -5.366 1.00 0.00 N ATOM 1935 CA ILE A 118 9.369 6.835 -5.664 1.00 0.00 C ATOM 1936 C ILE A 118 8.519 6.841 -4.396 1.00 0.00 C ATOM 1937 O ILE A 118 7.894 5.837 -4.051 1.00 0.00 O ATOM 1938 CB ILE A 118 9.272 5.446 -6.329 1.00 0.00 C ATOM 1939 CG1 ILE A 118 10.381 5.266 -7.369 1.00 0.00 C ATOM 1940 CG2 ILE A 118 7.905 5.257 -6.971 1.00 0.00 C ATOM 1941 CD1 ILE A 118 10.518 3.843 -7.863 1.00 0.00 C ATOM 0 H ILE A 118 11.095 8.011 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 118 8.991 7.587 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 118 9.400 4.687 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.182 5.920 -8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 118 11.329 5.585 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.854 4.272 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.130 5.339 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.750 6.024 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.322 3.789 -8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.748 3.187 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.583 3.527 -8.325 1.00 0.00 H new ATOM 1953 N SER A 119 8.501 7.974 -3.700 1.00 0.00 N ATOM 1954 CA SER A 119 7.728 8.094 -2.466 1.00 0.00 C ATOM 1955 C SER A 119 7.081 9.475 -2.339 1.00 0.00 C ATOM 1956 O SER A 119 5.938 9.592 -1.897 1.00 0.00 O ATOM 1957 CB SER A 119 8.622 7.806 -1.257 1.00 0.00 C ATOM 1958 OG SER A 119 7.851 7.600 -0.085 1.00 0.00 O ATOM 0 H SER A 119 9.009 8.818 -3.966 1.00 0.00 H new ATOM 0 HA SER A 119 6.925 7.358 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.231 6.924 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.308 8.639 -1.102 1.00 0.00 H new ATOM 0 HG SER A 119 8.447 7.417 0.671 1.00 0.00 H new ATOM 1964 N LEU A 120 7.809 10.518 -2.734 1.00 0.00 N ATOM 1965 CA LEU A 120 7.287 11.882 -2.664 1.00 0.00 C ATOM 1966 C LEU A 120 7.441 12.586 -4.013 1.00 0.00 C ATOM 1967 O LEU A 120 8.329 12.252 -4.798 1.00 0.00 O ATOM 1968 CB LEU A 120 8.003 12.679 -1.566 1.00 0.00 C ATOM 1969 CG LEU A 120 7.760 12.187 -0.135 1.00 0.00 C ATOM 1970 CD1 LEU A 120 8.769 11.116 0.247 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.821 13.348 0.847 1.00 0.00 C ATOM 0 H LEU A 120 8.757 10.446 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 120 6.226 11.828 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.075 12.656 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.689 13.721 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 120 6.763 11.748 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.577 10.782 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.678 10.271 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.777 11.526 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.646 12.979 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.804 13.816 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.056 14.082 0.591 1.00 0.00 H new ATOM 1983 N LEU A 121 6.576 13.567 -4.278 1.00 0.00 N ATOM 1984 CA LEU A 121 6.631 14.312 -5.534 1.00 0.00 C ATOM 1985 C LEU A 121 5.678 15.505 -5.510 1.00 0.00 C ATOM 1986 O LEU A 121 4.768 15.570 -4.686 1.00 0.00 O ATOM 1987 CB LEU A 121 6.299 13.404 -6.723 1.00 0.00 C ATOM 1988 CG LEU A 121 5.147 12.415 -6.501 1.00 0.00 C ATOM 1989 CD1 LEU A 121 4.208 12.403 -7.700 1.00 0.00 C ATOM 1990 CD2 LEU A 121 5.679 11.013 -6.240 1.00 0.00 C ATOM 0 H LEU A 121 5.834 13.862 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 121 7.649 14.684 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.055 14.032 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 121 7.193 12.839 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 121 4.589 12.743 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.399 11.695 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.792 13.400 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.760 12.105 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.844 10.330 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.266 10.681 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.309 11.023 -5.351 1.00 0.00 H new ATOM 2002 N LYS A 122 5.903 16.451 -6.420 1.00 0.00 N ATOM 2003 CA LYS A 122 5.076 17.649 -6.505 1.00 0.00 C ATOM 2004 C LYS A 122 4.299 17.688 -7.822 1.00 0.00 C ATOM 2005 O LYS A 122 4.805 17.257 -8.859 1.00 0.00 O ATOM 2006 CB LYS A 122 5.955 18.892 -6.382 1.00 0.00 C ATOM 2007 CG LYS A 122 5.177 20.194 -6.362 1.00 0.00 C ATOM 2008 CD LYS A 122 5.925 21.286 -7.113 1.00 0.00 C ATOM 2009 CE LYS A 122 5.475 22.675 -6.695 1.00 0.00 C ATOM 2010 NZ LYS A 122 5.407 22.819 -5.218 1.00 0.00 N ATOM 0 H LYS A 122 6.653 16.409 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 122 4.357 17.629 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.546 18.819 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.658 18.912 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.196 20.043 -6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.009 20.506 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.995 21.182 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.769 21.161 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.164 23.416 -7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.495 22.883 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.586 23.810 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.463 22.538 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.125 22.210 -4.776 1.00 0.00 H new ATOM 2024 N CYS A 123 3.071 18.208 -7.776 1.00 0.00 N ATOM 2025 CA CYS A 123 2.229 18.303 -8.970 1.00 0.00 C ATOM 2026 C CYS A 123 1.472 19.630 -9.007 1.00 0.00 C ATOM 2027 O CYS A 123 0.255 19.656 -9.201 1.00 0.00 O ATOM 2028 CB CYS A 123 1.226 17.147 -9.019 1.00 0.00 C ATOM 2029 SG CYS A 123 1.941 15.555 -9.489 1.00 0.00 S ATOM 0 H CYS A 123 2.638 18.569 -6.926 1.00 0.00 H new ATOM 0 HA CYS A 123 2.886 18.248 -9.838 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.759 17.046 -8.039 1.00 0.00 H new ATOM 0 HB3 CYS A 123 0.435 17.399 -9.725 1.00 0.00 H new ATOM 2034 N GLU A 124 2.193 20.732 -8.823 1.00 0.00 N ATOM 2035 CA GLU A 124 1.579 22.056 -8.836 1.00 0.00 C ATOM 2036 C GLU A 124 0.826 22.295 -10.142 1.00 0.00 C ATOM 2037 O GLU A 124 -0.124 23.079 -10.188 1.00 0.00 O ATOM 2038 CB GLU A 124 2.642 23.137 -8.625 1.00 0.00 C ATOM 2039 CG GLU A 124 2.130 24.558 -8.800 1.00 0.00 C ATOM 2040 CD GLU A 124 2.862 25.312 -9.893 1.00 0.00 C ATOM 2041 OE1 GLU A 124 4.078 25.553 -9.735 1.00 0.00 O ATOM 2042 OE2 GLU A 124 2.221 25.663 -10.905 1.00 0.00 O ATOM 0 H GLU A 124 3.200 20.735 -8.664 1.00 0.00 H new ATOM 0 HA GLU A 124 0.861 22.107 -8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.056 23.033 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.459 22.968 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.066 24.530 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.236 25.097 -7.858 1.00 0.00 H new ATOM 2049 N ALA A 125 1.247 21.609 -11.200 1.00 0.00 N ATOM 2050 CA ALA A 125 0.603 21.742 -12.500 1.00 0.00 C ATOM 2051 C ALA A 125 -0.781 21.111 -12.479 1.00 0.00 C ATOM 2052 O ALA A 125 -1.796 21.807 -12.467 1.00 0.00 O ATOM 2053 CB ALA A 125 1.449 21.096 -13.584 1.00 0.00 C ATOM 0 H ALA A 125 2.031 20.956 -11.182 1.00 0.00 H new ATOM 0 HA ALA A 125 0.501 22.805 -12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 125 0.951 21.206 -14.548 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.424 21.581 -13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 125 1.579 20.037 -13.361 1.00 0.00 H new ATOM 2059 N CYS A 126 -0.810 19.783 -12.472 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.062 19.038 -12.450 1.00 0.00 C ATOM 2061 C CYS A 126 -2.637 18.964 -11.035 1.00 0.00 C ATOM 2062 O CYS A 126 -3.097 17.909 -10.598 1.00 0.00 O ATOM 2063 CB CYS A 126 -1.835 17.627 -12.992 1.00 0.00 C ATOM 2064 SG CYS A 126 -0.617 16.671 -12.061 1.00 0.00 S ATOM 0 H CYS A 126 0.025 19.198 -12.481 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.780 19.561 -13.082 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -2.784 17.090 -12.988 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -1.512 17.695 -14.031 1.00 0.00 H new ATOM 2069 N GLY A 127 -2.606 20.085 -10.322 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.127 20.114 -8.969 1.00 0.00 C ATOM 2071 C GLY A 127 -2.051 20.408 -7.942 1.00 0.00 C ATOM 2072 O GLY A 127 -1.411 21.459 -7.987 1.00 0.00 O ATOM 0 H GLY A 127 -2.230 20.972 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -3.908 20.871 -8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.591 19.155 -8.741 1.00 0.00 H new ATOM 2076 N ALA A 128 -1.852 19.477 -7.014 1.00 0.00 N ATOM 2077 CA ALA A 128 -0.847 19.637 -5.969 1.00 0.00 C ATOM 2078 C ALA A 128 -0.330 18.282 -5.489 1.00 0.00 C ATOM 2079 O ALA A 128 -1.047 17.283 -5.526 1.00 0.00 O ATOM 2080 CB ALA A 128 -1.415 20.439 -4.804 1.00 0.00 C ATOM 0 H ALA A 128 -2.375 18.602 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.005 20.185 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.653 20.550 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.721 21.424 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.278 19.917 -4.390 1.00 0.00 H new ATOM 2086 N LYS A 129 0.919 18.261 -5.040 1.00 0.00 N ATOM 2087 CA LYS A 129 1.540 17.036 -4.548 1.00 0.00 C ATOM 2088 C LYS A 129 2.633 17.367 -3.535 1.00 0.00 C ATOM 2089 O LYS A 129 3.192 18.462 -3.557 1.00 0.00 O ATOM 2090 CB LYS A 129 2.107 16.219 -5.711 1.00 0.00 C ATOM 2091 CG LYS A 129 2.109 14.720 -5.472 1.00 0.00 C ATOM 2092 CD LYS A 129 0.714 14.194 -5.185 1.00 0.00 C ATOM 2093 CE LYS A 129 -0.201 14.358 -6.387 1.00 0.00 C ATOM 2094 NZ LYS A 129 -0.805 13.063 -6.796 1.00 0.00 N ATOM 0 H LYS A 129 1.524 19.081 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 129 0.780 16.435 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.526 16.432 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.128 16.546 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.516 14.213 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 129 2.765 14.486 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.771 13.141 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.293 14.724 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -0.992 15.070 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.364 14.776 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.699 13.240 -7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.149 12.557 -7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.990 12.484 -5.952 1.00 0.00 H new ATOM 2108 N ALA A 130 2.915 16.431 -2.635 1.00 0.00 N ATOM 2109 CA ALA A 130 3.928 16.643 -1.603 1.00 0.00 C ATOM 2110 C ALA A 130 5.299 16.109 -2.028 1.00 0.00 C ATOM 2111 O ALA A 130 5.577 14.918 -1.889 1.00 0.00 O ATOM 2112 CB ALA A 130 3.490 15.983 -0.306 1.00 0.00 C ATOM 0 H ALA A 130 2.458 15.520 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 130 4.028 17.718 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.249 16.145 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.546 16.417 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.360 14.913 -0.468 1.00 0.00 H new ATOM 2118 N PRO A 131 6.179 16.986 -2.550 1.00 0.00 N ATOM 2119 CA PRO A 131 7.522 16.591 -2.990 1.00 0.00 C ATOM 2120 C PRO A 131 8.441 16.204 -1.832 1.00 0.00 C ATOM 2121 O PRO A 131 9.329 15.365 -1.990 1.00 0.00 O ATOM 2122 CB PRO A 131 8.056 17.841 -3.692 1.00 0.00 C ATOM 2123 CG PRO A 131 7.280 18.977 -3.116 1.00 0.00 C ATOM 2124 CD PRO A 131 5.930 18.426 -2.755 1.00 0.00 C ATOM 0 HA PRO A 131 7.485 15.706 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 131 9.124 17.965 -3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 131 7.916 17.776 -4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 131 7.781 19.384 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 131 7.188 19.790 -3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.534 18.895 -1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 131 5.203 18.597 -3.549 1.00 0.00 H new ATOM 2132 N LEU A 132 8.235 16.819 -0.669 1.00 0.00 N ATOM 2133 CA LEU A 132 9.059 16.526 0.502 1.00 0.00 C ATOM 2134 C LEU A 132 8.441 17.097 1.779 1.00 0.00 C ATOM 2135 O LEU A 132 8.277 16.380 2.768 1.00 0.00 O ATOM 2136 CB LEU A 132 10.490 17.056 0.306 1.00 0.00 C ATOM 2137 CG LEU A 132 10.621 18.560 0.051 1.00 0.00 C ATOM 2138 CD1 LEU A 132 12.059 19.015 0.254 1.00 0.00 C ATOM 2139 CD2 LEU A 132 10.147 18.902 -1.351 1.00 0.00 C ATOM 0 H LEU A 132 7.510 17.519 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 132 9.104 15.443 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 132 11.073 16.806 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 132 10.941 16.525 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 132 9.991 19.087 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 132 12.131 20.087 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.367 18.803 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.710 18.482 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 132 10.246 19.975 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 132 10.752 18.364 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 132 9.102 18.613 -1.462 1.00 0.00 H new ATOM 2151 N LYS A 133 8.091 18.382 1.749 1.00 0.00 N ATOM 2152 CA LYS A 133 7.480 19.049 2.904 1.00 0.00 C ATOM 2153 C LYS A 133 7.506 20.567 2.736 1.00 0.00 C ATOM 2154 O LYS A 133 8.315 21.258 3.354 1.00 0.00 O ATOM 2155 CB LYS A 133 8.189 18.664 4.209 1.00 0.00 C ATOM 2156 CG LYS A 133 7.279 17.970 5.210 1.00 0.00 C ATOM 2157 CD LYS A 133 8.079 17.253 6.289 1.00 0.00 C ATOM 2158 CE LYS A 133 7.912 17.918 7.646 1.00 0.00 C ATOM 2159 NZ LYS A 133 8.350 19.343 7.632 1.00 0.00 N ATOM 0 H LYS A 133 8.219 18.985 0.937 1.00 0.00 H new ATOM 0 HA LYS A 133 6.444 18.716 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 133 9.029 18.009 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 133 8.603 19.562 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.619 18.704 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 133 6.644 17.253 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.757 16.213 6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 133 9.134 17.244 6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 133 6.866 17.864 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.489 17.370 8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 8.478 19.677 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 9.250 19.424 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 7.628 19.923 7.160 1.00 0.00 H new ATOM 2173 N ASN A 134 6.609 21.082 1.902 1.00 0.00 N ATOM 2174 CA ASN A 134 6.523 22.518 1.662 1.00 0.00 C ATOM 2175 C ASN A 134 7.845 23.082 1.147 1.00 0.00 C ATOM 2176 O ASN A 134 8.368 24.055 1.689 1.00 0.00 O ATOM 2177 CB ASN A 134 6.118 23.246 2.946 1.00 0.00 C ATOM 2178 CG ASN A 134 4.755 22.819 3.450 1.00 0.00 C ATOM 2179 OD1 ASN A 134 4.220 21.793 3.032 1.00 0.00 O ATOM 2180 ND2 ASN A 134 4.186 23.608 4.354 1.00 0.00 N ATOM 0 H ASN A 134 5.931 20.526 1.381 1.00 0.00 H new ATOM 0 HA ASN A 134 5.764 22.678 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 134 6.863 23.056 3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 134 6.114 24.321 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.268 23.373 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.667 24.449 4.672 1.00 0.00 H new ATOM 2187 N VAL A 135 8.374 22.474 0.093 1.00 0.00 N ATOM 2188 CA VAL A 135 9.628 22.931 -0.497 1.00 0.00 C ATOM 2189 C VAL A 135 9.621 22.747 -2.011 1.00 0.00 C ATOM 2190 O VAL A 135 10.095 23.661 -2.717 1.00 0.00 O ATOM 2191 CB VAL A 135 10.848 22.191 0.089 1.00 0.00 C ATOM 2192 CG1 VAL A 135 12.142 22.858 -0.360 1.00 0.00 C ATOM 2193 CG2 VAL A 135 10.770 22.129 1.606 1.00 0.00 C ATOM 2194 OXT VAL A 135 9.143 21.691 -2.476 1.00 0.00 O ATOM 0 H VAL A 135 7.957 21.666 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 135 9.713 23.990 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 135 10.840 21.168 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 135 12.993 22.323 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 135 12.204 22.837 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 135 12.157 23.892 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 135 11.642 21.602 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 135 10.747 23.141 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 135 9.865 21.599 1.902 1.00 0.00 H new TER 2204 VAL A 135 HETATM 2205 ZN ZN A 136 0.709 14.907 -11.349 1.00 0.00 ZN