USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 772 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 112 SER OG : rot -132:sc= 0.0733 USER MOD Set 1.2: A 116 TYR OH : rot -28:sc= -0.366 USER MOD Set 2.1: A 106 LYS NZ :NH3+ 139:sc= 0.284 (180deg=0.0109) USER MOD Set 2.2: A 110 THR OG1 : rot 73:sc= 0.22 USER MOD Set 3.1: A 79 GLN : amide:sc= 0.173 X(o=0.62,f=0.27) USER MOD Set 3.2: A 80 TYR OH : rot 80:sc= 0.446 USER MOD Set 4.1: A 29 SER OG : rot -150:sc= 1.22 USER MOD Set 4.2: A 66 TYR OH : rot 120:sc= 1.1 USER MOD Set 5.1: A 18 ASN : amide:sc= -0.0193 K(o=0.47,f=-2.2) USER MOD Set 5.2: A 69 ASN : amide:sc= 0.49 K(o=0.47,f=-3.3!) USER MOD Single : A 15 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.47) USER MOD Single : A 20 SER OG : rot 180:sc= 0.041 USER MOD Single : A 21 SER OG : rot -170:sc= 0.316 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -107:sc= -1.89! (180deg=-5.38!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 15:sc= -5.79! USER MOD Single : A 60 SER OG : rot -29:sc= 1.08 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -76:sc= 1.31 USER MOD Single : A 78 THR OG1 : rot 67:sc= 0.244 USER MOD Single : A 81 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 84 SER OG : rot 37:sc= -1.89! USER MOD Single : A 87 THR OG1 : rot 30:sc= 1.03 USER MOD Single : A 92 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0548) USER MOD Single : A 93 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.24) USER MOD Single : A 97 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.37!) USER MOD Single : A 99 SER OG : rot 49:sc= 0.0143 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 108 THR OG1 : rot -170:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.640 -4.438 -9.133 1.00 0.00 N ATOM 2 CA VAL A 14 -3.981 -3.995 -9.588 1.00 0.00 C ATOM 3 C VAL A 14 -3.953 -2.749 -10.511 1.00 0.00 C ATOM 4 O VAL A 14 -4.938 -2.447 -11.173 1.00 0.00 O ATOM 5 CB VAL A 14 -4.837 -3.720 -8.322 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.390 -2.487 -7.547 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.329 -3.676 -8.625 1.00 0.00 C ATOM 0 HA VAL A 14 -4.412 -4.787 -10.200 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.663 -4.575 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.030 -2.353 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.357 -2.616 -7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.462 -1.608 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.881 -3.481 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.531 -2.883 -9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.644 -4.633 -9.041 1.00 0.00 H new ATOM 17 N GLN A 15 -2.875 -1.975 -10.376 1.00 0.00 N ATOM 18 CA GLN A 15 -2.670 -0.626 -10.944 1.00 0.00 C ATOM 19 C GLN A 15 -3.437 0.456 -10.187 1.00 0.00 C ATOM 20 O GLN A 15 -2.839 1.341 -9.580 1.00 0.00 O ATOM 21 CB GLN A 15 -2.852 -0.553 -12.473 1.00 0.00 C ATOM 22 CG GLN A 15 -1.689 -1.204 -13.244 1.00 0.00 C ATOM 23 CD GLN A 15 -1.478 -2.688 -12.940 1.00 0.00 C ATOM 24 OE1 GLN A 15 -0.567 -3.098 -12.239 1.00 0.00 O ATOM 25 NE2 GLN A 15 -2.395 -3.524 -13.383 1.00 0.00 N ATOM 0 H GLN A 15 -2.068 -2.285 -9.835 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.613 -0.408 -10.788 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.785 -1.046 -12.747 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.942 0.491 -12.774 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.868 -1.087 -14.313 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.770 -0.665 -13.014 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.157 -3.182 -13.969 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.343 -4.513 -13.140 1.00 0.00 H new ATOM 34 N ASP A 16 -4.736 0.216 -10.039 1.00 0.00 N ATOM 35 CA ASP A 16 -5.634 1.076 -9.230 1.00 0.00 C ATOM 36 C ASP A 16 -6.843 0.354 -8.640 1.00 0.00 C ATOM 37 O ASP A 16 -7.718 -0.153 -9.344 1.00 0.00 O ATOM 38 CB ASP A 16 -6.040 2.344 -9.996 1.00 0.00 C ATOM 39 CG ASP A 16 -6.881 2.081 -11.246 1.00 0.00 C ATOM 40 OD1 ASP A 16 -8.114 2.321 -11.153 1.00 0.00 O ATOM 41 OD2 ASP A 16 -6.288 1.654 -12.254 1.00 0.00 O ATOM 0 H ASP A 16 -5.209 -0.577 -10.471 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.041 1.375 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.600 2.996 -9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.138 2.884 -10.286 1.00 0.00 H new ATOM 47 N VAL A 17 -6.791 0.247 -7.318 1.00 0.00 N ATOM 48 CA VAL A 17 -7.883 -0.307 -6.499 1.00 0.00 C ATOM 49 C VAL A 17 -8.855 0.820 -6.106 1.00 0.00 C ATOM 50 O VAL A 17 -8.496 1.986 -5.991 1.00 0.00 O ATOM 51 CB VAL A 17 -7.448 -1.056 -5.231 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.959 -2.488 -5.282 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.967 -1.080 -4.855 1.00 0.00 C ATOM 0 H VAL A 17 -5.984 0.544 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.358 -1.056 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.898 -0.453 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.649 -3.017 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.047 -2.484 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.548 -2.990 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.834 -1.650 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.396 -1.547 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.613 -0.060 -4.704 1.00 0.00 H new ATOM 63 N ASN A 18 -10.097 0.413 -5.922 1.00 0.00 N ATOM 64 CA ASN A 18 -11.219 1.298 -5.542 1.00 0.00 C ATOM 65 C ASN A 18 -12.071 0.525 -4.528 1.00 0.00 C ATOM 66 O ASN A 18 -11.925 -0.694 -4.412 1.00 0.00 O ATOM 67 CB ASN A 18 -12.070 1.571 -6.783 1.00 0.00 C ATOM 68 CG ASN A 18 -11.284 2.179 -7.956 1.00 0.00 C ATOM 69 OD1 ASN A 18 -11.047 3.376 -8.040 1.00 0.00 O ATOM 70 ND2 ASN A 18 -10.851 1.333 -8.873 1.00 0.00 N ATOM 0 H ASN A 18 -10.376 -0.562 -6.031 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.859 2.239 -5.127 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.528 0.637 -7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.882 2.247 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.310 1.675 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.058 0.338 -8.787 1.00 0.00 H new ATOM 77 N ASP A 19 -13.095 1.170 -3.992 1.00 0.00 N ATOM 78 CA ASP A 19 -14.029 0.541 -3.031 1.00 0.00 C ATOM 79 C ASP A 19 -14.773 -0.667 -3.603 1.00 0.00 C ATOM 80 O ASP A 19 -15.067 -1.627 -2.889 1.00 0.00 O ATOM 81 CB ASP A 19 -15.012 1.621 -2.568 1.00 0.00 C ATOM 82 CG ASP A 19 -15.540 1.335 -1.160 1.00 0.00 C ATOM 83 OD1 ASP A 19 -16.449 0.483 -1.041 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.055 2.031 -0.233 1.00 0.00 O ATOM 0 H ASP A 19 -13.314 2.144 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.452 0.146 -2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.519 2.593 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.847 1.677 -3.266 1.00 0.00 H new ATOM 90 N SER A 20 -15.063 -0.601 -4.909 1.00 0.00 N ATOM 91 CA SER A 20 -15.642 -1.690 -5.717 1.00 0.00 C ATOM 92 C SER A 20 -14.695 -2.901 -5.830 1.00 0.00 C ATOM 93 O SER A 20 -15.003 -3.981 -5.320 1.00 0.00 O ATOM 94 CB SER A 20 -15.982 -1.121 -7.099 1.00 0.00 C ATOM 95 OG SER A 20 -14.876 -0.330 -7.583 1.00 0.00 O ATOM 0 H SER A 20 -14.895 0.244 -5.456 1.00 0.00 H new ATOM 0 HA SER A 20 -16.542 -2.062 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.194 -1.932 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.882 -0.509 -7.040 1.00 0.00 H new ATOM 0 HG SER A 20 -15.095 0.031 -8.467 1.00 0.00 H new ATOM 101 N SER A 21 -13.496 -2.672 -6.361 1.00 0.00 N ATOM 102 CA SER A 21 -12.483 -3.733 -6.555 1.00 0.00 C ATOM 103 C SER A 21 -11.782 -4.222 -5.290 1.00 0.00 C ATOM 104 O SER A 21 -11.357 -5.367 -5.274 1.00 0.00 O ATOM 105 CB SER A 21 -11.419 -3.402 -7.595 1.00 0.00 C ATOM 106 OG SER A 21 -10.690 -2.200 -7.278 1.00 0.00 O ATOM 0 H SER A 21 -13.190 -1.750 -6.672 1.00 0.00 H new ATOM 0 HA SER A 21 -13.109 -4.546 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.721 -4.236 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.892 -3.289 -8.570 1.00 0.00 H new ATOM 0 HG SER A 21 -10.134 -1.943 -8.043 1.00 0.00 H new ATOM 112 N TRP A 22 -11.776 -3.424 -4.226 1.00 0.00 N ATOM 113 CA TRP A 22 -11.108 -3.730 -2.939 1.00 0.00 C ATOM 114 C TRP A 22 -11.365 -5.166 -2.461 1.00 0.00 C ATOM 115 O TRP A 22 -10.460 -5.989 -2.371 1.00 0.00 O ATOM 116 CB TRP A 22 -11.633 -2.703 -1.933 1.00 0.00 C ATOM 117 CG TRP A 22 -10.959 -2.863 -0.580 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.397 -3.608 0.420 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.729 -2.346 -0.206 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.505 -3.632 1.417 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.454 -2.890 1.056 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.783 -1.538 -0.866 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.213 -2.653 1.684 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.536 -1.336 -0.267 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.249 -1.876 1.013 1.00 0.00 C ATOM 0 H TRP A 22 -12.245 -2.518 -4.223 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.026 -3.665 -3.052 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.458 -1.696 -2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.711 -2.818 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.345 -4.126 0.431 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.609 -4.131 2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.016 -1.083 -1.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.006 -3.060 2.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.782 -0.762 -0.785 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.290 -1.691 1.474 1.00 0.00 H new ATOM 136 N LYS A 23 -12.651 -5.506 -2.446 1.00 0.00 N ATOM 137 CA LYS A 23 -13.097 -6.819 -1.947 1.00 0.00 C ATOM 138 C LYS A 23 -12.642 -8.058 -2.722 1.00 0.00 C ATOM 139 O LYS A 23 -12.468 -9.129 -2.147 1.00 0.00 O ATOM 140 CB LYS A 23 -14.610 -6.776 -1.700 1.00 0.00 C ATOM 141 CG LYS A 23 -14.796 -5.852 -0.500 1.00 0.00 C ATOM 142 CD LYS A 23 -16.250 -5.465 -0.263 1.00 0.00 C ATOM 143 CE LYS A 23 -16.751 -4.506 -1.349 1.00 0.00 C ATOM 144 NZ LYS A 23 -18.081 -4.056 -0.951 1.00 0.00 N ATOM 0 H LYS A 23 -13.405 -4.900 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.566 -6.969 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.141 -6.398 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.003 -7.772 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.407 -6.342 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.206 -4.948 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.870 -6.361 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.349 -4.995 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.074 -3.658 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.788 -5.007 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.455 -3.401 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.715 -4.876 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.023 -3.570 -0.034 1.00 0.00 H new ATOM 158 N GLU A 24 -12.176 -7.803 -3.942 1.00 0.00 N ATOM 159 CA GLU A 24 -11.646 -8.851 -4.828 1.00 0.00 C ATOM 160 C GLU A 24 -10.136 -8.720 -5.030 1.00 0.00 C ATOM 161 O GLU A 24 -9.379 -9.490 -4.449 1.00 0.00 O ATOM 162 CB GLU A 24 -12.357 -8.758 -6.181 1.00 0.00 C ATOM 163 CG GLU A 24 -13.857 -8.939 -5.958 1.00 0.00 C ATOM 164 CD GLU A 24 -14.426 -10.002 -6.892 1.00 0.00 C ATOM 165 OE1 GLU A 24 -14.065 -9.986 -8.084 1.00 0.00 O ATOM 166 OE2 GLU A 24 -15.265 -10.775 -6.380 1.00 0.00 O ATOM 0 H GLU A 24 -12.153 -6.868 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.830 -9.819 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.158 -7.793 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.981 -9.524 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.042 -9.224 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.370 -7.992 -6.125 1.00 0.00 H new ATOM 174 N PHE A 25 -9.763 -7.518 -5.435 1.00 0.00 N ATOM 175 CA PHE A 25 -8.389 -7.146 -5.791 1.00 0.00 C ATOM 176 C PHE A 25 -7.496 -6.615 -4.671 1.00 0.00 C ATOM 177 O PHE A 25 -6.589 -5.828 -4.900 1.00 0.00 O ATOM 178 CB PHE A 25 -8.447 -6.188 -6.975 1.00 0.00 C ATOM 179 CG PHE A 25 -8.071 -6.957 -8.245 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.783 -7.532 -8.339 1.00 0.00 C ATOM 181 CD2 PHE A 25 -9.058 -7.179 -9.231 1.00 0.00 C ATOM 182 CE1 PHE A 25 -6.465 -8.356 -9.445 1.00 0.00 C ATOM 183 CE2 PHE A 25 -8.737 -7.993 -10.341 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.450 -8.569 -10.435 1.00 0.00 C ATOM 0 H PHE A 25 -10.422 -6.745 -5.531 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.886 -8.078 -6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -9.447 -5.765 -7.071 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.762 -5.354 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.046 -7.344 -7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.038 -6.736 -9.138 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.490 -8.812 -9.530 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.471 -8.174 -11.113 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.213 -9.189 -11.287 1.00 0.00 H new ATOM 194 N VAL A 26 -7.917 -6.976 -3.468 1.00 0.00 N ATOM 195 CA VAL A 26 -7.191 -6.825 -2.189 1.00 0.00 C ATOM 196 C VAL A 26 -7.595 -7.997 -1.271 1.00 0.00 C ATOM 197 O VAL A 26 -6.726 -8.680 -0.733 1.00 0.00 O ATOM 198 CB VAL A 26 -7.400 -5.467 -1.481 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.777 -5.419 -0.080 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.765 -4.321 -2.278 1.00 0.00 C ATOM 0 H VAL A 26 -8.830 -7.411 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.125 -6.845 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.482 -5.354 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.957 -4.440 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.227 -6.190 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.703 -5.592 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.929 -3.379 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.694 -4.498 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.220 -4.270 -3.267 1.00 0.00 H new ATOM 210 N LEU A 27 -8.899 -8.251 -1.133 1.00 0.00 N ATOM 211 CA LEU A 27 -9.337 -9.289 -0.179 1.00 0.00 C ATOM 212 C LEU A 27 -9.356 -10.720 -0.717 1.00 0.00 C ATOM 213 O LEU A 27 -9.098 -11.652 0.044 1.00 0.00 O ATOM 214 CB LEU A 27 -10.685 -8.963 0.486 1.00 0.00 C ATOM 215 CG LEU A 27 -10.812 -7.543 1.068 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.126 -7.475 1.858 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.662 -7.113 1.989 1.00 0.00 C ATOM 0 H LEU A 27 -9.646 -7.779 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.549 -9.261 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.477 -9.108 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.858 -9.682 1.287 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.784 -6.857 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.244 -6.478 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.962 -7.686 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.106 -8.212 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.843 -6.100 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.602 -7.794 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.723 -7.140 1.436 1.00 0.00 H new ATOM 229 N GLU A 28 -9.596 -10.895 -2.014 1.00 0.00 N ATOM 230 CA GLU A 28 -9.727 -12.248 -2.600 1.00 0.00 C ATOM 231 C GLU A 28 -8.739 -12.554 -3.740 1.00 0.00 C ATOM 232 O GLU A 28 -8.954 -13.514 -4.480 1.00 0.00 O ATOM 233 CB GLU A 28 -11.173 -12.418 -3.109 1.00 0.00 C ATOM 234 CG GLU A 28 -12.225 -12.308 -2.005 1.00 0.00 C ATOM 235 CD GLU A 28 -13.635 -12.431 -2.569 1.00 0.00 C ATOM 236 OE1 GLU A 28 -14.449 -11.534 -2.262 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.875 -13.437 -3.274 1.00 0.00 O ATOM 0 H GLU A 28 -9.705 -10.132 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.484 -12.957 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.374 -11.662 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.267 -13.390 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.059 -13.088 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.118 -11.352 -1.492 1.00 0.00 H new ATOM 245 N SER A 29 -7.528 -11.984 -3.668 1.00 0.00 N ATOM 246 CA SER A 29 -6.553 -12.089 -4.784 1.00 0.00 C ATOM 247 C SER A 29 -5.767 -13.410 -4.834 1.00 0.00 C ATOM 248 O SER A 29 -4.867 -13.577 -5.648 1.00 0.00 O ATOM 249 CB SER A 29 -5.580 -10.921 -4.699 1.00 0.00 C ATOM 250 OG SER A 29 -6.137 -9.735 -5.266 1.00 0.00 O ATOM 0 H SER A 29 -7.195 -11.451 -2.865 1.00 0.00 H new ATOM 0 HA SER A 29 -7.139 -12.064 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.318 -10.739 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.657 -11.176 -5.220 1.00 0.00 H new ATOM 0 HG SER A 29 -5.418 -9.177 -5.630 1.00 0.00 H new ATOM 256 N GLU A 30 -6.182 -14.334 -3.968 1.00 0.00 N ATOM 257 CA GLU A 30 -5.613 -15.673 -3.700 1.00 0.00 C ATOM 258 C GLU A 30 -4.216 -15.664 -3.043 1.00 0.00 C ATOM 259 O GLU A 30 -3.707 -16.694 -2.618 1.00 0.00 O ATOM 260 CB GLU A 30 -5.569 -16.533 -4.973 1.00 0.00 C ATOM 261 CG GLU A 30 -6.973 -16.796 -5.495 1.00 0.00 C ATOM 262 CD GLU A 30 -6.973 -16.673 -7.028 1.00 0.00 C ATOM 263 OE1 GLU A 30 -6.965 -17.734 -7.676 1.00 0.00 O ATOM 264 OE2 GLU A 30 -6.912 -15.520 -7.486 1.00 0.00 O ATOM 0 H GLU A 30 -6.996 -14.158 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.297 -16.111 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.980 -16.028 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.072 -17.479 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.304 -17.791 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.675 -16.084 -5.061 1.00 0.00 H new ATOM 272 N VAL A 31 -3.703 -14.459 -2.890 1.00 0.00 N ATOM 273 CA VAL A 31 -2.342 -14.146 -2.411 1.00 0.00 C ATOM 274 C VAL A 31 -2.387 -13.195 -1.189 1.00 0.00 C ATOM 275 O VAL A 31 -3.320 -12.386 -1.106 1.00 0.00 O ATOM 276 CB VAL A 31 -1.544 -13.490 -3.565 1.00 0.00 C ATOM 277 CG1 VAL A 31 -1.318 -14.487 -4.698 1.00 0.00 C ATOM 278 CG2 VAL A 31 -2.197 -12.215 -4.111 1.00 0.00 C ATOM 0 H VAL A 31 -4.240 -13.618 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.855 -15.069 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.586 -13.194 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.756 -14.007 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.756 -15.343 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.280 -14.825 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.585 -11.809 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.190 -12.450 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.281 -11.478 -3.312 1.00 0.00 H new ATOM 288 N PRO A 32 -1.360 -13.198 -0.327 1.00 0.00 N ATOM 289 CA PRO A 32 -1.219 -12.171 0.735 1.00 0.00 C ATOM 290 C PRO A 32 -1.013 -10.809 0.056 1.00 0.00 C ATOM 291 O PRO A 32 -0.441 -10.711 -1.036 1.00 0.00 O ATOM 292 CB PRO A 32 0.003 -12.587 1.544 1.00 0.00 C ATOM 293 CG PRO A 32 0.140 -14.082 1.259 1.00 0.00 C ATOM 294 CD PRO A 32 -0.295 -14.223 -0.195 1.00 0.00 C ATOM 0 HA PRO A 32 -2.091 -12.090 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.893 -12.038 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.137 -12.394 2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.165 -14.423 1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.490 -14.674 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.530 -14.038 -0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.670 -15.224 -0.409 1.00 0.00 H new ATOM 302 N VAL A 33 -1.483 -9.764 0.720 1.00 0.00 N ATOM 303 CA VAL A 33 -1.633 -8.432 0.094 1.00 0.00 C ATOM 304 C VAL A 33 -1.022 -7.294 0.908 1.00 0.00 C ATOM 305 O VAL A 33 -1.075 -7.265 2.140 1.00 0.00 O ATOM 306 CB VAL A 33 -3.147 -8.246 -0.171 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.573 -6.811 -0.493 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.649 -9.175 -1.281 1.00 0.00 C ATOM 0 H VAL A 33 -1.772 -9.800 1.698 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.068 -8.391 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.610 -8.508 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.649 -6.780 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.319 -6.160 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.054 -6.470 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.716 -9.013 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.112 -8.962 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.477 -10.212 -0.993 1.00 0.00 H new ATOM 318 N MET A 34 -0.556 -6.327 0.130 1.00 0.00 N ATOM 319 CA MET A 34 -0.060 -5.024 0.609 1.00 0.00 C ATOM 320 C MET A 34 -0.828 -3.919 -0.112 1.00 0.00 C ATOM 321 O MET A 34 -1.178 -4.009 -1.291 1.00 0.00 O ATOM 322 CB MET A 34 1.428 -4.876 0.293 1.00 0.00 C ATOM 323 CG MET A 34 1.981 -3.557 0.852 1.00 0.00 C ATOM 324 SD MET A 34 3.801 -3.425 0.833 1.00 0.00 S ATOM 325 CE MET A 34 4.114 -4.421 2.266 1.00 0.00 C ATOM 0 H MET A 34 -0.507 -6.421 -0.885 1.00 0.00 H new ATOM 0 HA MET A 34 -0.204 -4.956 1.687 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.979 -5.715 0.719 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.579 -4.910 -0.786 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.564 -2.731 0.276 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.632 -3.438 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.421 -3.782 3.094 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.207 -4.959 2.541 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.907 -5.136 2.046 1.00 0.00 H new ATOM 335 N VAL A 35 -1.023 -2.830 0.624 1.00 0.00 N ATOM 336 CA VAL A 35 -1.583 -1.583 0.099 1.00 0.00 C ATOM 337 C VAL A 35 -0.702 -0.392 0.492 1.00 0.00 C ATOM 338 O VAL A 35 -0.143 -0.380 1.585 1.00 0.00 O ATOM 339 CB VAL A 35 -3.018 -1.386 0.597 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.947 -2.330 -0.160 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.180 -1.553 2.105 1.00 0.00 C ATOM 0 H VAL A 35 -0.794 -2.785 1.617 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.607 -1.646 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.286 -0.349 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.970 -2.193 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.897 -2.111 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.639 -3.361 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.224 -1.398 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.874 -2.558 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.558 -0.822 2.621 1.00 0.00 H new ATOM 351 N ASP A 36 -0.565 0.547 -0.440 1.00 0.00 N ATOM 352 CA ASP A 36 0.180 1.789 -0.148 1.00 0.00 C ATOM 353 C ASP A 36 -0.695 2.940 0.372 1.00 0.00 C ATOM 354 O ASP A 36 -0.223 3.761 1.156 1.00 0.00 O ATOM 355 CB ASP A 36 1.006 2.268 -1.368 1.00 0.00 C ATOM 356 CG ASP A 36 0.211 2.932 -2.503 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.760 3.894 -3.095 1.00 0.00 O ATOM 358 OD2 ASP A 36 -0.956 2.518 -2.712 1.00 0.00 O ATOM 0 H ASP A 36 -0.946 0.485 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 36 0.857 1.516 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.758 2.974 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.540 1.411 -1.779 1.00 0.00 H new ATOM 364 N PHE A 37 -1.990 2.887 0.038 1.00 0.00 N ATOM 365 CA PHE A 37 -2.945 4.009 0.143 1.00 0.00 C ATOM 366 C PHE A 37 -2.389 5.302 -0.472 1.00 0.00 C ATOM 367 O PHE A 37 -1.549 5.986 0.125 1.00 0.00 O ATOM 368 CB PHE A 37 -3.434 4.335 1.561 1.00 0.00 C ATOM 369 CG PHE A 37 -4.543 3.401 2.045 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.254 2.059 2.398 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.878 3.871 2.062 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.296 1.179 2.724 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.932 2.990 2.407 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.635 1.641 2.691 1.00 0.00 C ATOM 0 H PHE A 37 -2.421 2.037 -0.325 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.803 3.642 -0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.592 4.277 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.797 5.363 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.231 1.714 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.093 4.900 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.080 0.157 2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.950 3.347 2.452 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.441 0.949 2.886 1.00 0.00 H new ATOM 384 N TRP A 38 -2.883 5.624 -1.657 1.00 0.00 N ATOM 385 CA TRP A 38 -2.364 6.795 -2.384 1.00 0.00 C ATOM 386 C TRP A 38 -3.401 7.915 -2.539 1.00 0.00 C ATOM 387 O TRP A 38 -4.577 7.676 -2.785 1.00 0.00 O ATOM 388 CB TRP A 38 -1.714 6.355 -3.702 1.00 0.00 C ATOM 389 CG TRP A 38 -2.660 6.295 -4.896 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.462 5.285 -5.170 1.00 0.00 C ATOM 391 CD2 TRP A 38 -3.008 7.342 -5.738 1.00 0.00 C ATOM 392 NE1 TRP A 38 -4.298 5.609 -6.155 1.00 0.00 N ATOM 393 CE2 TRP A 38 -4.095 6.880 -6.498 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.564 8.675 -5.844 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.802 7.756 -7.340 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.260 9.542 -6.702 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.366 9.089 -7.452 1.00 0.00 C ATOM 0 H TRP A 38 -3.624 5.112 -2.135 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.580 7.251 -1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.900 7.042 -3.936 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -1.269 5.370 -3.560 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.444 4.330 -4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.984 4.984 -6.579 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.710 9.021 -5.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.665 7.412 -7.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.944 10.571 -6.789 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.880 9.769 -8.115 1.00 0.00 H new ATOM 408 N ALA A 39 -2.879 9.133 -2.546 1.00 0.00 N ATOM 409 CA ALA A 39 -3.680 10.372 -2.603 1.00 0.00 C ATOM 410 C ALA A 39 -3.045 11.302 -3.646 1.00 0.00 C ATOM 411 O ALA A 39 -1.814 11.313 -3.749 1.00 0.00 O ATOM 412 CB ALA A 39 -3.678 11.041 -1.221 1.00 0.00 C ATOM 0 H ALA A 39 -1.874 9.303 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.711 10.154 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.269 11.956 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.110 10.361 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.654 11.281 -0.935 1.00 0.00 H new ATOM 418 N PRO A 40 -3.828 12.037 -4.446 1.00 0.00 N ATOM 419 CA PRO A 40 -3.307 12.957 -5.478 1.00 0.00 C ATOM 420 C PRO A 40 -2.276 13.961 -4.951 1.00 0.00 C ATOM 421 O PRO A 40 -1.180 14.060 -5.489 1.00 0.00 O ATOM 422 CB PRO A 40 -4.533 13.610 -6.108 1.00 0.00 C ATOM 423 CG PRO A 40 -5.689 13.317 -5.147 1.00 0.00 C ATOM 424 CD PRO A 40 -5.301 12.002 -4.485 1.00 0.00 C ATOM 0 HA PRO A 40 -2.732 12.410 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.387 14.683 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.732 13.200 -7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.807 14.113 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.637 13.231 -5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.724 11.920 -3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.664 11.147 -5.055 1.00 0.00 H new ATOM 557 N ALA A 49 5.713 5.320 -5.614 1.00 0.00 N ATOM 558 CA ALA A 49 5.537 3.999 -4.926 1.00 0.00 C ATOM 559 C ALA A 49 6.821 3.160 -4.705 1.00 0.00 C ATOM 560 O ALA A 49 6.675 1.987 -4.355 1.00 0.00 O ATOM 561 CB ALA A 49 4.403 3.300 -5.675 1.00 0.00 C ATOM 0 HA ALA A 49 5.272 4.152 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.218 2.324 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.499 3.905 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.683 3.171 -6.721 1.00 0.00 H new ATOM 567 N PRO A 50 7.969 3.791 -4.406 1.00 0.00 N ATOM 568 CA PRO A 50 9.267 3.099 -4.481 1.00 0.00 C ATOM 569 C PRO A 50 9.402 1.914 -3.515 1.00 0.00 C ATOM 570 O PRO A 50 9.473 0.781 -3.965 1.00 0.00 O ATOM 571 CB PRO A 50 10.312 4.167 -4.178 1.00 0.00 C ATOM 572 CG PRO A 50 9.570 5.366 -3.587 1.00 0.00 C ATOM 573 CD PRO A 50 8.078 4.994 -3.568 1.00 0.00 C ATOM 0 HA PRO A 50 9.388 2.652 -5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.056 3.790 -3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.845 4.453 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.927 5.585 -2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.739 6.260 -4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.734 4.799 -2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.465 5.805 -3.962 1.00 0.00 H new ATOM 581 N VAL A 51 9.272 2.200 -2.213 1.00 0.00 N ATOM 582 CA VAL A 51 9.307 1.200 -1.125 1.00 0.00 C ATOM 583 C VAL A 51 8.346 0.042 -1.430 1.00 0.00 C ATOM 584 O VAL A 51 8.813 -1.064 -1.684 1.00 0.00 O ATOM 585 CB VAL A 51 8.972 1.868 0.227 1.00 0.00 C ATOM 586 CG1 VAL A 51 9.115 0.880 1.390 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.879 3.071 0.526 1.00 0.00 C ATOM 0 H VAL A 51 9.136 3.152 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 51 10.314 0.788 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 51 7.939 2.205 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.872 1.382 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.435 0.042 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.140 0.512 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.603 3.505 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.918 2.743 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.761 3.820 -0.257 1.00 0.00 H new ATOM 597 N ILE A 52 7.092 0.363 -1.710 1.00 0.00 N ATOM 598 CA ILE A 52 6.048 -0.619 -2.049 1.00 0.00 C ATOM 599 C ILE A 52 6.398 -1.452 -3.299 1.00 0.00 C ATOM 600 O ILE A 52 6.462 -2.680 -3.204 1.00 0.00 O ATOM 601 CB ILE A 52 4.708 0.175 -2.110 1.00 0.00 C ATOM 602 CG1 ILE A 52 4.066 0.359 -0.735 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.668 -0.379 -3.075 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.928 1.130 0.272 1.00 0.00 C ATOM 0 H ILE A 52 6.756 1.326 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 52 5.955 -1.397 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 52 5.021 1.143 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.118 0.882 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.837 -0.623 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.774 0.244 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.074 -0.379 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.411 -1.398 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.395 1.213 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.867 0.599 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.136 2.127 -0.116 1.00 0.00 H new ATOM 616 N ASP A 53 6.905 -0.765 -4.314 1.00 0.00 N ATOM 617 CA ASP A 53 7.376 -1.418 -5.563 1.00 0.00 C ATOM 618 C ASP A 53 8.504 -2.441 -5.325 1.00 0.00 C ATOM 619 O ASP A 53 8.532 -3.531 -5.893 1.00 0.00 O ATOM 620 CB ASP A 53 7.876 -0.387 -6.578 1.00 0.00 C ATOM 621 CG ASP A 53 6.720 0.213 -7.355 1.00 0.00 C ATOM 622 OD1 ASP A 53 6.158 1.204 -6.864 1.00 0.00 O ATOM 623 OD2 ASP A 53 6.409 -0.336 -8.438 1.00 0.00 O ATOM 0 H ASP A 53 7.008 0.250 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 53 6.505 -1.945 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.421 0.403 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.576 -0.859 -7.267 1.00 0.00 H new ATOM 629 N GLU A 54 9.389 -2.020 -4.436 1.00 0.00 N ATOM 630 CA GLU A 54 10.554 -2.799 -3.972 1.00 0.00 C ATOM 631 C GLU A 54 10.183 -3.974 -3.069 1.00 0.00 C ATOM 632 O GLU A 54 10.664 -5.084 -3.325 1.00 0.00 O ATOM 633 CB GLU A 54 11.487 -1.914 -3.166 1.00 0.00 C ATOM 634 CG GLU A 54 12.271 -0.922 -4.031 1.00 0.00 C ATOM 635 CD GLU A 54 13.001 0.076 -3.129 1.00 0.00 C ATOM 636 OE1 GLU A 54 12.394 1.131 -2.844 1.00 0.00 O ATOM 637 OE2 GLU A 54 14.144 -0.244 -2.750 1.00 0.00 O ATOM 0 H GLU A 54 9.326 -1.101 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 54 11.022 -3.182 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.906 -1.362 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.189 -2.541 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.987 -1.455 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.594 -0.394 -4.702 1.00 0.00 H new ATOM 645 N LEU A 55 9.291 -3.771 -2.100 1.00 0.00 N ATOM 646 CA LEU A 55 8.878 -4.853 -1.185 1.00 0.00 C ATOM 647 C LEU A 55 8.277 -6.065 -1.925 1.00 0.00 C ATOM 648 O LEU A 55 8.662 -7.195 -1.642 1.00 0.00 O ATOM 649 CB LEU A 55 7.865 -4.339 -0.151 1.00 0.00 C ATOM 650 CG LEU A 55 8.339 -3.092 0.621 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.212 -2.538 1.482 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.611 -3.339 1.447 1.00 0.00 C ATOM 0 H LEU A 55 8.838 -2.874 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 55 9.786 -5.185 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.929 -4.106 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.652 -5.136 0.561 1.00 0.00 H new ATOM 0 HG LEU A 55 8.611 -2.343 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.564 -1.658 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.370 -2.262 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.893 -3.297 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.892 -2.422 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.424 -4.126 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.421 -3.644 0.785 1.00 0.00 H new ATOM 664 N ALA A 56 7.692 -5.740 -3.078 1.00 0.00 N ATOM 665 CA ALA A 56 7.073 -6.696 -4.025 1.00 0.00 C ATOM 666 C ALA A 56 8.021 -7.831 -4.454 1.00 0.00 C ATOM 667 O ALA A 56 7.643 -8.998 -4.502 1.00 0.00 O ATOM 668 CB ALA A 56 6.635 -5.907 -5.250 1.00 0.00 C ATOM 0 H ALA A 56 7.629 -4.774 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 56 6.233 -7.177 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.173 -6.581 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.915 -5.145 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.503 -5.429 -5.704 1.00 0.00 H new ATOM 674 N LYS A 57 9.250 -7.433 -4.786 1.00 0.00 N ATOM 675 CA LYS A 57 10.341 -8.312 -5.227 1.00 0.00 C ATOM 676 C LYS A 57 11.375 -8.661 -4.143 1.00 0.00 C ATOM 677 O LYS A 57 12.053 -9.685 -4.242 1.00 0.00 O ATOM 678 CB LYS A 57 11.031 -7.691 -6.456 1.00 0.00 C ATOM 679 CG LYS A 57 11.631 -6.314 -6.174 1.00 0.00 C ATOM 680 CD LYS A 57 12.160 -5.678 -7.448 1.00 0.00 C ATOM 681 CE LYS A 57 12.688 -4.271 -7.164 1.00 0.00 C ATOM 682 NZ LYS A 57 13.151 -3.680 -8.428 1.00 0.00 N ATOM 0 H LYS A 57 9.526 -6.452 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 57 9.877 -9.265 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.819 -8.361 -6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.308 -7.607 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.874 -5.668 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.438 -6.407 -5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.956 -6.294 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.367 -5.632 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.905 -3.655 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.505 -4.312 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.514 -2.721 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.909 -4.268 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.358 -3.632 -9.100 1.00 0.00 H new ATOM 696 N GLU A 58 11.432 -7.831 -3.103 1.00 0.00 N ATOM 697 CA GLU A 58 12.346 -7.958 -1.957 1.00 0.00 C ATOM 698 C GLU A 58 12.108 -9.272 -1.207 1.00 0.00 C ATOM 699 O GLU A 58 13.024 -10.054 -0.950 1.00 0.00 O ATOM 700 CB GLU A 58 12.061 -6.734 -1.078 1.00 0.00 C ATOM 701 CG GLU A 58 13.180 -6.400 -0.110 1.00 0.00 C ATOM 702 CD GLU A 58 12.973 -5.055 0.594 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.541 -4.098 -0.081 1.00 0.00 O ATOM 704 OE2 GLU A 58 13.309 -4.997 1.795 1.00 0.00 O ATOM 0 H GLU A 58 10.821 -7.018 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 58 13.391 -7.987 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.879 -5.872 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.145 -6.909 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.255 -7.189 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.127 -6.381 -0.649 1.00 0.00 H new ATOM 712 N TYR A 59 10.852 -9.456 -0.828 1.00 0.00 N ATOM 713 CA TYR A 59 10.342 -10.767 -0.397 1.00 0.00 C ATOM 714 C TYR A 59 9.364 -11.178 -1.494 1.00 0.00 C ATOM 715 O TYR A 59 8.212 -10.737 -1.540 1.00 0.00 O ATOM 716 CB TYR A 59 9.774 -10.794 1.024 1.00 0.00 C ATOM 717 CG TYR A 59 9.368 -9.456 1.632 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.221 -8.767 1.176 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.207 -8.935 2.633 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.916 -7.509 1.735 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.902 -7.677 3.191 1.00 0.00 C ATOM 722 CZ TYR A 59 8.770 -6.983 2.730 1.00 0.00 C ATOM 723 OH TYR A 59 8.544 -5.730 3.185 1.00 0.00 O ATOM 0 H TYR A 59 10.155 -8.712 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 59 11.146 -11.497 -0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.901 -11.447 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.517 -11.252 1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.589 -9.197 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.071 -9.490 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.046 -6.958 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.529 -7.253 3.961 1.00 0.00 H new ATOM 0 HH TYR A 59 7.649 -5.439 2.912 1.00 0.00 H new ATOM 733 N SER A 60 10.035 -11.621 -2.549 1.00 0.00 N ATOM 734 CA SER A 60 9.464 -12.021 -3.853 1.00 0.00 C ATOM 735 C SER A 60 8.075 -12.668 -3.759 1.00 0.00 C ATOM 736 O SER A 60 7.892 -13.667 -3.071 1.00 0.00 O ATOM 737 CB SER A 60 10.425 -12.965 -4.576 1.00 0.00 C ATOM 738 OG SER A 60 11.771 -12.471 -4.495 1.00 0.00 O ATOM 0 H SER A 60 11.050 -11.721 -2.529 1.00 0.00 H new ATOM 0 HA SER A 60 9.332 -11.098 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.369 -13.960 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.130 -13.064 -5.621 1.00 0.00 H new ATOM 0 HG SER A 60 11.757 -11.493 -4.427 1.00 0.00 H new ATOM 744 N GLY A 61 7.098 -11.867 -4.182 1.00 0.00 N ATOM 745 CA GLY A 61 5.683 -12.277 -4.263 1.00 0.00 C ATOM 746 C GLY A 61 4.885 -12.239 -2.945 1.00 0.00 C ATOM 747 O GLY A 61 3.667 -12.129 -3.007 1.00 0.00 O ATOM 0 H GLY A 61 7.260 -10.906 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.181 -11.634 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.643 -13.292 -4.658 1.00 0.00 H new ATOM 751 N LYS A 62 5.581 -12.156 -1.805 1.00 0.00 N ATOM 752 CA LYS A 62 5.014 -12.196 -0.442 1.00 0.00 C ATOM 753 C LYS A 62 3.697 -11.435 -0.261 1.00 0.00 C ATOM 754 O LYS A 62 2.708 -11.966 0.232 1.00 0.00 O ATOM 755 CB LYS A 62 6.005 -11.617 0.583 1.00 0.00 C ATOM 756 CG LYS A 62 6.676 -12.681 1.457 1.00 0.00 C ATOM 757 CD LYS A 62 7.448 -13.745 0.693 1.00 0.00 C ATOM 758 CE LYS A 62 8.315 -14.560 1.657 1.00 0.00 C ATOM 759 NZ LYS A 62 8.935 -15.656 0.906 1.00 0.00 N ATOM 0 H LYS A 62 6.596 -12.055 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 62 4.816 -13.255 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.775 -11.055 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.479 -10.910 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.357 -12.185 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.911 -13.171 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.754 -14.403 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.075 -13.276 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.080 -13.927 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.708 -14.954 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.529 -16.222 1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.193 -16.260 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.523 -15.265 0.143 1.00 0.00 H new ATOM 773 N ILE A 63 3.766 -10.163 -0.636 1.00 0.00 N ATOM 774 CA ILE A 63 2.664 -9.203 -0.508 1.00 0.00 C ATOM 775 C ILE A 63 2.350 -8.528 -1.854 1.00 0.00 C ATOM 776 O ILE A 63 3.237 -8.023 -2.540 1.00 0.00 O ATOM 777 CB ILE A 63 2.935 -8.219 0.647 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.390 -7.730 0.761 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.493 -8.807 1.989 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.826 -6.807 -0.378 1.00 0.00 C ATOM 0 H ILE A 63 4.606 -9.756 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 63 1.752 -9.736 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 63 2.337 -7.343 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.513 -7.205 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.052 -8.595 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.697 -8.091 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.425 -9.021 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.043 -9.729 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.862 -6.506 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.737 -7.334 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.189 -5.922 -0.393 1.00 0.00 H new ATOM 792 N ALA A 64 1.162 -8.836 -2.344 1.00 0.00 N ATOM 793 CA ALA A 64 0.628 -8.262 -3.590 1.00 0.00 C ATOM 794 C ALA A 64 0.337 -6.760 -3.419 1.00 0.00 C ATOM 795 O ALA A 64 -0.576 -6.357 -2.691 1.00 0.00 O ATOM 796 CB ALA A 64 -0.630 -9.028 -4.000 1.00 0.00 C ATOM 0 H ALA A 64 0.528 -9.495 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 64 1.372 -8.359 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.029 -8.606 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.381 -10.077 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.378 -8.948 -3.211 1.00 0.00 H new ATOM 802 N VAL A 65 1.186 -5.961 -4.057 1.00 0.00 N ATOM 803 CA VAL A 65 1.221 -4.492 -3.949 1.00 0.00 C ATOM 804 C VAL A 65 0.118 -3.754 -4.731 1.00 0.00 C ATOM 805 O VAL A 65 0.171 -3.581 -5.958 1.00 0.00 O ATOM 806 CB VAL A 65 2.638 -3.987 -4.274 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.571 -4.258 -3.087 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.226 -4.499 -5.591 1.00 0.00 C ATOM 0 H VAL A 65 1.899 -6.325 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 65 0.985 -4.244 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 65 2.546 -2.913 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.573 -3.899 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.197 -3.739 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.607 -5.329 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.226 -4.086 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.283 -5.587 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.589 -4.189 -6.419 1.00 0.00 H new ATOM 818 N TYR A 66 -0.856 -3.308 -3.962 1.00 0.00 N ATOM 819 CA TYR A 66 -2.069 -2.649 -4.482 1.00 0.00 C ATOM 820 C TYR A 66 -2.190 -1.166 -4.075 1.00 0.00 C ATOM 821 O TYR A 66 -1.865 -0.753 -2.961 1.00 0.00 O ATOM 822 CB TYR A 66 -3.284 -3.465 -4.053 1.00 0.00 C ATOM 823 CG TYR A 66 -3.264 -4.905 -4.561 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.825 -5.239 -5.862 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.787 -5.896 -3.713 1.00 0.00 C ATOM 826 CE1 TYR A 66 -2.954 -6.551 -6.340 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.920 -7.226 -4.183 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.520 -7.533 -5.499 1.00 0.00 C ATOM 829 OH TYR A 66 -3.797 -8.745 -6.020 1.00 0.00 O ATOM 0 H TYR A 66 -0.841 -3.387 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.005 -2.624 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.340 -3.473 -2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.187 -2.974 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.387 -4.479 -6.492 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.087 -5.645 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.625 -6.806 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.323 -7.995 -3.541 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.290 -9.432 -5.538 1.00 0.00 H new ATOM 839 N LYS A 67 -2.645 -0.398 -5.052 1.00 0.00 N ATOM 840 CA LYS A 67 -2.745 1.080 -4.956 1.00 0.00 C ATOM 841 C LYS A 67 -4.157 1.635 -5.113 1.00 0.00 C ATOM 842 O LYS A 67 -4.716 1.623 -6.205 1.00 0.00 O ATOM 843 CB LYS A 67 -1.896 1.756 -6.023 1.00 0.00 C ATOM 844 CG LYS A 67 -0.422 1.521 -5.769 1.00 0.00 C ATOM 845 CD LYS A 67 0.092 0.262 -6.470 1.00 0.00 C ATOM 846 CE LYS A 67 1.546 0.006 -6.112 1.00 0.00 C ATOM 847 NZ LYS A 67 2.258 -0.015 -7.389 1.00 0.00 N ATOM 0 H LYS A 67 -2.962 -0.769 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.396 1.298 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.166 1.371 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.101 2.826 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.147 2.385 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.249 1.434 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.516 -0.595 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.008 0.374 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.934 0.787 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.660 -0.940 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.270 -0.187 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.873 -0.773 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.138 0.900 -7.868 1.00 0.00 H new ATOM 861 N LEU A 68 -4.746 2.045 -4.001 1.00 0.00 N ATOM 862 CA LEU A 68 -6.101 2.611 -4.062 1.00 0.00 C ATOM 863 C LEU A 68 -6.219 4.135 -4.029 1.00 0.00 C ATOM 864 O LEU A 68 -5.577 4.827 -3.235 1.00 0.00 O ATOM 865 CB LEU A 68 -7.059 1.999 -3.047 1.00 0.00 C ATOM 866 CG LEU A 68 -6.714 2.377 -1.613 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.016 2.512 -0.839 1.00 0.00 C ATOM 868 CD2 LEU A 68 -5.687 1.410 -1.013 1.00 0.00 C ATOM 0 H LEU A 68 -4.331 2.003 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.400 2.321 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.075 2.325 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.043 0.914 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.210 3.342 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.799 2.783 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.632 3.287 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.552 1.563 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.462 1.708 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.094 0.399 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.773 1.435 -1.607 1.00 0.00 H new ATOM 880 N ASN A 69 -7.222 4.569 -4.788 1.00 0.00 N ATOM 881 CA ASN A 69 -7.562 5.996 -4.986 1.00 0.00 C ATOM 882 C ASN A 69 -8.351 6.398 -3.748 1.00 0.00 C ATOM 883 O ASN A 69 -9.573 6.272 -3.680 1.00 0.00 O ATOM 884 CB ASN A 69 -8.376 6.109 -6.271 1.00 0.00 C ATOM 885 CG ASN A 69 -7.777 5.461 -7.532 1.00 0.00 C ATOM 886 OD1 ASN A 69 -6.595 5.219 -7.695 1.00 0.00 O ATOM 887 ND2 ASN A 69 -8.638 5.022 -8.423 1.00 0.00 N ATOM 0 H ASN A 69 -7.839 3.936 -5.297 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.699 6.653 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.355 5.664 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.539 7.167 -6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.311 4.491 -9.230 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.633 5.213 -8.307 1.00 0.00 H new ATOM 894 N THR A 70 -7.600 6.812 -2.742 1.00 0.00 N ATOM 895 CA THR A 70 -8.115 7.118 -1.395 1.00 0.00 C ATOM 896 C THR A 70 -9.347 8.030 -1.362 1.00 0.00 C ATOM 897 O THR A 70 -10.414 7.620 -0.895 1.00 0.00 O ATOM 898 CB THR A 70 -7.013 7.706 -0.526 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.416 8.826 -1.190 1.00 0.00 O ATOM 900 CG2 THR A 70 -5.982 6.635 -0.194 1.00 0.00 C ATOM 0 H THR A 70 -6.593 6.951 -2.828 1.00 0.00 H new ATOM 0 HA THR A 70 -8.449 6.160 -0.997 1.00 0.00 H new ATOM 0 HB THR A 70 -7.438 8.060 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.825 8.506 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.197 7.066 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.465 5.819 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.545 6.253 -1.116 1.00 0.00 H new ATOM 908 N ASP A 71 -9.253 9.095 -2.169 1.00 0.00 N ATOM 909 CA ASP A 71 -10.344 10.077 -2.373 1.00 0.00 C ATOM 910 C ASP A 71 -11.618 9.450 -2.976 1.00 0.00 C ATOM 911 O ASP A 71 -12.719 9.747 -2.531 1.00 0.00 O ATOM 912 CB ASP A 71 -9.853 11.234 -3.241 1.00 0.00 C ATOM 913 CG ASP A 71 -8.909 12.169 -2.469 1.00 0.00 C ATOM 914 OD1 ASP A 71 -9.405 13.200 -1.970 1.00 0.00 O ATOM 915 OD2 ASP A 71 -7.706 11.831 -2.408 1.00 0.00 O ATOM 0 H ASP A 71 -8.413 9.308 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.622 10.451 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.337 10.838 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.708 11.802 -3.606 1.00 0.00 H new ATOM 921 N GLU A 72 -11.406 8.459 -3.847 1.00 0.00 N ATOM 922 CA GLU A 72 -12.475 7.686 -4.513 1.00 0.00 C ATOM 923 C GLU A 72 -13.135 6.661 -3.564 1.00 0.00 C ATOM 924 O GLU A 72 -14.288 6.282 -3.757 1.00 0.00 O ATOM 925 CB GLU A 72 -11.821 6.992 -5.714 1.00 0.00 C ATOM 926 CG GLU A 72 -12.771 6.287 -6.696 1.00 0.00 C ATOM 927 CD GLU A 72 -13.338 4.960 -6.174 1.00 0.00 C ATOM 928 OE1 GLU A 72 -12.644 4.296 -5.365 1.00 0.00 O ATOM 929 OE2 GLU A 72 -14.439 4.593 -6.615 1.00 0.00 O ATOM 0 H GLU A 72 -10.469 8.160 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.282 8.348 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.247 7.735 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.110 6.256 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.599 6.957 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.239 6.101 -7.629 1.00 0.00 H new ATOM 937 N ALA A 73 -12.353 6.163 -2.609 1.00 0.00 N ATOM 938 CA ALA A 73 -12.782 5.098 -1.687 1.00 0.00 C ATOM 939 C ALA A 73 -12.647 5.469 -0.186 1.00 0.00 C ATOM 940 O ALA A 73 -11.998 4.756 0.583 1.00 0.00 O ATOM 941 CB ALA A 73 -11.989 3.841 -2.081 1.00 0.00 C ATOM 0 H ALA A 73 -11.398 6.484 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.853 4.925 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.268 3.015 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.214 3.578 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.922 4.038 -1.981 1.00 0.00 H new ATOM 947 N PRO A 74 -13.471 6.433 0.286 1.00 0.00 N ATOM 948 CA PRO A 74 -13.410 6.927 1.685 1.00 0.00 C ATOM 949 C PRO A 74 -13.714 5.825 2.707 1.00 0.00 C ATOM 950 O PRO A 74 -12.912 5.637 3.620 1.00 0.00 O ATOM 951 CB PRO A 74 -14.480 8.022 1.785 1.00 0.00 C ATOM 952 CG PRO A 74 -14.784 8.392 0.341 1.00 0.00 C ATOM 953 CD PRO A 74 -14.582 7.089 -0.429 1.00 0.00 C ATOM 0 HA PRO A 74 -12.407 7.289 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.371 7.660 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.116 8.882 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.802 8.766 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.116 9.175 -0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.482 6.475 -0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.332 7.275 -1.474 1.00 0.00 H new ATOM 961 N GLY A 75 -14.691 4.967 2.395 1.00 0.00 N ATOM 962 CA GLY A 75 -15.173 3.825 3.195 1.00 0.00 C ATOM 963 C GLY A 75 -14.068 2.825 3.561 1.00 0.00 C ATOM 964 O GLY A 75 -14.083 2.223 4.645 1.00 0.00 O ATOM 0 H GLY A 75 -15.204 5.054 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.631 4.200 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.953 3.305 2.639 1.00 0.00 H new ATOM 968 N ILE A 76 -13.137 2.643 2.644 1.00 0.00 N ATOM 969 CA ILE A 76 -11.929 1.831 2.853 1.00 0.00 C ATOM 970 C ILE A 76 -11.055 2.457 3.949 1.00 0.00 C ATOM 971 O ILE A 76 -10.917 1.904 5.037 1.00 0.00 O ATOM 972 CB ILE A 76 -11.219 1.660 1.502 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.088 0.925 0.470 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.868 0.966 1.658 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.632 -0.423 0.954 1.00 0.00 C ATOM 0 H ILE A 76 -13.189 3.058 1.714 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.176 0.833 3.215 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.044 2.666 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.926 1.565 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.501 0.764 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.397 0.863 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.227 1.560 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.015 -0.021 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.234 -0.876 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.801 -1.084 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.248 -0.270 1.840 1.00 0.00 H new ATOM 987 N ALA A 77 -10.721 3.726 3.717 1.00 0.00 N ATOM 988 CA ALA A 77 -9.956 4.548 4.673 1.00 0.00 C ATOM 989 C ALA A 77 -10.626 4.597 6.052 1.00 0.00 C ATOM 990 O ALA A 77 -9.963 4.335 7.050 1.00 0.00 O ATOM 991 CB ALA A 77 -9.783 5.960 4.103 1.00 0.00 C ATOM 0 H ALA A 77 -10.971 4.220 2.861 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.978 4.088 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.218 6.570 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.245 5.907 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.763 6.409 3.939 1.00 0.00 H new ATOM 997 N THR A 78 -11.961 4.647 6.041 1.00 0.00 N ATOM 998 CA THR A 78 -12.803 4.602 7.259 1.00 0.00 C ATOM 999 C THR A 78 -12.556 3.315 8.066 1.00 0.00 C ATOM 1000 O THR A 78 -11.974 3.381 9.143 1.00 0.00 O ATOM 1001 CB THR A 78 -14.271 4.596 6.843 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.536 5.706 5.966 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.267 4.659 8.007 1.00 0.00 C ATOM 0 H THR A 78 -12.502 4.721 5.180 1.00 0.00 H new ATOM 0 HA THR A 78 -12.553 5.469 7.870 1.00 0.00 H new ATOM 0 HB THR A 78 -14.422 3.637 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.054 5.579 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.284 4.650 7.616 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.121 3.797 8.658 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.105 5.575 8.576 1.00 0.00 H new ATOM 1011 N GLN A 79 -12.871 2.167 7.458 1.00 0.00 N ATOM 1012 CA GLN A 79 -12.823 0.873 8.168 1.00 0.00 C ATOM 1013 C GLN A 79 -11.451 0.473 8.724 1.00 0.00 C ATOM 1014 O GLN A 79 -11.346 -0.014 9.846 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.464 -0.280 7.383 1.00 0.00 C ATOM 1016 CG GLN A 79 -12.949 -0.503 5.963 1.00 0.00 C ATOM 1017 CD GLN A 79 -13.699 -1.645 5.273 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -13.682 -2.801 5.664 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.401 -1.309 4.209 1.00 0.00 N ATOM 0 H GLN A 79 -13.161 2.101 6.482 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.442 1.062 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.318 -1.201 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.538 -0.104 7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.064 0.413 5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.883 -0.730 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.410 -0.341 3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.935 -2.017 3.706 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.414 0.933 8.027 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.028 0.646 8.398 1.00 0.00 C ATOM 1030 C TYR A 80 -8.371 1.743 9.251 1.00 0.00 C ATOM 1031 O TYR A 80 -7.180 1.643 9.577 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.260 0.370 7.102 1.00 0.00 C ATOM 1033 CG TYR A 80 -8.792 -0.835 6.311 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.207 -2.010 6.987 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.123 -0.598 4.962 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.037 -2.924 6.316 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -9.955 -1.522 4.294 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.397 -2.665 4.976 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.067 -3.637 4.294 1.00 0.00 O ATOM 0 H TYR A 80 -10.509 1.512 7.193 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.006 -0.227 9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.304 1.256 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.210 0.201 7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.890 -2.200 8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.747 0.275 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.394 -3.811 6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.248 -1.351 3.269 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.014 -3.618 4.544 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.173 2.740 9.653 1.00 0.00 N ATOM 1050 CA ASN A 81 -8.755 3.868 10.508 1.00 0.00 C ATOM 1051 C ASN A 81 -7.488 4.601 10.013 1.00 0.00 C ATOM 1052 O ASN A 81 -6.628 5.057 10.776 1.00 0.00 O ATOM 1053 CB ASN A 81 -8.645 3.425 11.974 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.046 3.257 12.579 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -10.534 4.094 13.322 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -10.727 2.195 12.228 1.00 0.00 N ATOM 0 H ASN A 81 -10.157 2.788 9.387 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.543 4.617 10.437 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.097 2.485 12.038 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.080 4.163 12.544 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.676 2.060 12.576 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.308 1.503 11.607 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.503 4.816 8.708 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.363 5.434 8.001 1.00 0.00 C ATOM 1065 C ILE A 82 -6.576 6.950 7.978 1.00 0.00 C ATOM 1066 O ILE A 82 -7.556 7.476 7.444 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.026 4.729 6.645 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.421 5.465 5.370 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.505 3.281 6.544 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.406 6.552 5.017 1.00 0.00 C ATOM 0 H ILE A 82 -8.289 4.575 8.104 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.430 5.271 8.541 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.937 4.748 6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.497 4.755 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.407 5.913 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.228 2.873 5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.040 2.688 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.589 3.248 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.717 7.058 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.350 7.275 5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.426 6.099 4.866 1.00 0.00 H new ATOM 1082 N ARG A 83 -5.793 7.541 8.865 1.00 0.00 N ATOM 1083 CA ARG A 83 -5.776 9.002 9.111 1.00 0.00 C ATOM 1084 C ARG A 83 -4.593 9.726 8.451 1.00 0.00 C ATOM 1085 O ARG A 83 -4.495 10.951 8.512 1.00 0.00 O ATOM 1086 CB ARG A 83 -5.744 9.238 10.621 1.00 0.00 C ATOM 1087 CG ARG A 83 -6.871 8.564 11.419 1.00 0.00 C ATOM 1088 CD ARG A 83 -8.268 9.132 11.108 1.00 0.00 C ATOM 1089 NE ARG A 83 -8.866 8.364 10.005 1.00 0.00 N ATOM 1090 CZ ARG A 83 -9.864 7.477 10.114 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -10.381 7.139 11.282 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -10.280 6.843 9.025 1.00 0.00 N ATOM 0 H ARG A 83 -5.136 7.026 9.451 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.676 9.418 8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.788 8.884 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.784 10.312 10.804 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.867 7.495 11.207 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.670 8.678 12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.902 9.075 11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.194 10.185 10.836 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.486 8.521 9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.021 7.557 12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.141 6.460 11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.841 7.034 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.039 6.164 9.089 1.00 0.00 H new ATOM 1106 N SER A 84 -3.716 8.954 7.827 1.00 0.00 N ATOM 1107 CA SER A 84 -2.493 9.467 7.192 1.00 0.00 C ATOM 1108 C SER A 84 -2.045 8.629 5.993 1.00 0.00 C ATOM 1109 O SER A 84 -1.885 7.416 6.049 1.00 0.00 O ATOM 1110 CB SER A 84 -1.351 9.573 8.210 1.00 0.00 C ATOM 1111 OG SER A 84 -1.170 8.295 8.826 1.00 0.00 O ATOM 0 H SER A 84 -3.827 7.944 7.742 1.00 0.00 H new ATOM 0 HA SER A 84 -2.740 10.460 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.432 9.889 7.716 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.584 10.326 8.963 1.00 0.00 H new ATOM 0 HG SER A 84 -1.318 7.588 8.163 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.085 9.300 4.849 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.652 8.733 3.569 1.00 0.00 C ATOM 1119 C ILE A 85 -0.156 9.091 3.375 1.00 0.00 C ATOM 1120 O ILE A 85 0.154 10.286 3.419 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.578 9.301 2.469 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.001 8.755 2.656 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -2.109 8.930 1.064 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.053 9.863 2.747 1.00 0.00 C ATOM 0 H ILE A 85 -2.421 10.261 4.778 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.730 7.647 3.528 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.555 10.386 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.245 8.096 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.037 8.150 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.793 9.353 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.107 9.327 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.091 7.845 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.039 9.418 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.829 10.508 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.040 10.453 1.830 1.00 0.00 H new ATOM 1136 N PRO A 86 0.703 8.105 3.069 1.00 0.00 N ATOM 1137 CA PRO A 86 0.359 6.682 2.870 1.00 0.00 C ATOM 1138 C PRO A 86 0.169 5.828 4.127 1.00 0.00 C ATOM 1139 O PRO A 86 0.620 6.171 5.229 1.00 0.00 O ATOM 1140 CB PRO A 86 1.474 6.165 1.954 1.00 0.00 C ATOM 1141 CG PRO A 86 2.693 7.014 2.295 1.00 0.00 C ATOM 1142 CD PRO A 86 2.117 8.360 2.724 1.00 0.00 C ATOM 0 HA PRO A 86 -0.640 6.600 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.669 5.107 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.202 6.270 0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.280 6.561 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.354 7.122 1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.661 8.763 3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.197 9.093 1.921 1.00 0.00 H new ATOM 1150 N THR A 87 -0.658 4.806 3.948 1.00 0.00 N ATOM 1151 CA THR A 87 -0.947 3.758 4.949 1.00 0.00 C ATOM 1152 C THR A 87 -0.667 2.403 4.297 1.00 0.00 C ATOM 1153 O THR A 87 -1.315 2.016 3.317 1.00 0.00 O ATOM 1154 CB THR A 87 -2.398 3.805 5.508 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.579 4.959 6.334 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.757 2.590 6.374 1.00 0.00 C ATOM 0 H THR A 87 -1.169 4.669 3.076 1.00 0.00 H new ATOM 0 HA THR A 87 -0.304 3.928 5.813 1.00 0.00 H new ATOM 0 HB THR A 87 -3.041 3.822 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.994 5.680 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.782 2.688 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.664 1.680 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.080 2.538 7.226 1.00 0.00 H new ATOM 1164 N VAL A 88 0.203 1.658 4.962 1.00 0.00 N ATOM 1165 CA VAL A 88 0.633 0.317 4.502 1.00 0.00 C ATOM 1166 C VAL A 88 0.083 -0.762 5.446 1.00 0.00 C ATOM 1167 O VAL A 88 0.483 -0.896 6.597 1.00 0.00 O ATOM 1168 CB VAL A 88 2.161 0.264 4.323 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.653 -1.118 3.859 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.602 1.208 3.214 1.00 0.00 C ATOM 0 H VAL A 88 0.639 1.952 5.836 1.00 0.00 H new ATOM 0 HA VAL A 88 0.214 0.112 3.517 1.00 0.00 H new ATOM 0 HB VAL A 88 2.570 0.524 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.737 -1.100 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.376 -1.870 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.195 -1.365 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.685 1.157 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.126 0.917 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.311 2.228 3.467 1.00 0.00 H new ATOM 1180 N LEU A 89 -0.945 -1.413 4.921 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.661 -2.494 5.605 1.00 0.00 C ATOM 1182 C LEU A 89 -1.288 -3.835 4.938 1.00 0.00 C ATOM 1183 O LEU A 89 -1.204 -3.935 3.713 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.151 -2.230 5.415 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.017 -2.410 6.667 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -5.302 -1.633 6.428 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -4.291 -3.874 7.006 1.00 0.00 C ATOM 0 H LEU A 89 -1.315 -1.206 3.993 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.406 -2.537 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.278 -1.211 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.524 -2.896 4.637 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.485 -2.028 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.954 -1.732 7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.067 -0.581 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.808 -2.029 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.909 -3.930 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.813 -4.348 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.347 -4.389 7.183 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.100 -4.824 5.790 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.748 -6.189 5.359 1.00 0.00 C ATOM 1201 C PHE A 90 -1.888 -7.120 5.743 1.00 0.00 C ATOM 1202 O PHE A 90 -2.441 -7.099 6.845 1.00 0.00 O ATOM 1203 CB PHE A 90 0.526 -6.766 5.990 1.00 0.00 C ATOM 1204 CG PHE A 90 1.571 -5.703 6.310 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.471 -5.012 7.537 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.402 -5.233 5.268 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.163 -3.802 7.708 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.108 -4.033 5.453 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.980 -3.328 6.668 1.00 0.00 C ATOM 0 H PHE A 90 -1.184 -4.718 6.801 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.571 -6.119 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.263 -7.295 6.906 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.960 -7.500 5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.867 -5.411 8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.493 -5.787 4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.068 -3.243 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.746 -3.652 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.522 -2.403 6.802 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.311 -7.736 4.666 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.389 -8.741 4.620 1.00 0.00 C ATOM 1221 C PHE A 91 -2.799 -10.103 4.299 1.00 0.00 C ATOM 1222 O PHE A 91 -2.025 -10.272 3.367 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.381 -8.351 3.526 1.00 0.00 C ATOM 1224 CG PHE A 91 -4.997 -6.952 3.666 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.369 -5.838 3.065 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.237 -6.822 4.325 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.001 -4.579 3.116 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -6.870 -5.564 4.376 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.234 -4.449 3.780 1.00 0.00 C ATOM 0 H PHE A 91 -1.906 -7.555 3.747 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.895 -8.784 5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.876 -8.413 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.187 -9.085 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.415 -5.950 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.699 -7.682 4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.542 -3.721 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.827 -5.452 4.863 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.705 -3.479 3.836 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.319 -11.074 5.032 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.124 -12.501 4.733 1.00 0.00 C ATOM 1241 C LYS A 92 -4.341 -12.897 3.881 1.00 0.00 C ATOM 1242 O LYS A 92 -5.343 -13.384 4.393 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.085 -13.306 6.042 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.767 -14.784 5.809 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.297 -15.007 5.439 1.00 0.00 C ATOM 1246 CE LYS A 92 -1.022 -16.479 5.163 1.00 0.00 C ATOM 1247 NZ LYS A 92 -1.062 -17.265 6.411 1.00 0.00 N ATOM 0 H LYS A 92 -3.893 -10.903 5.858 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.187 -12.698 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.336 -12.877 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.047 -13.219 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.004 -15.351 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.403 -15.170 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.046 -14.415 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.657 -14.659 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.761 -16.866 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.046 -16.588 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.740 -18.235 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.438 -16.826 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.036 -17.289 6.775 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.361 -12.248 2.723 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.441 -12.331 1.718 1.00 0.00 C ATOM 1263 C ASN A 93 -6.812 -11.995 2.363 1.00 0.00 C ATOM 1264 O ASN A 93 -7.526 -12.861 2.863 1.00 0.00 O ATOM 1265 CB ASN A 93 -5.382 -13.704 1.040 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.532 -13.967 0.066 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.581 -13.511 -1.069 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -7.525 -14.647 0.599 1.00 0.00 N ATOM 0 H ASN A 93 -3.605 -11.625 2.438 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.304 -11.585 0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.437 -13.792 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.386 -14.477 1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.377 -14.811 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.443 -15.010 1.549 1.00 0.00 H new ATOM 1275 N GLY A 94 -6.995 -10.690 2.529 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.185 -10.121 3.211 1.00 0.00 C ATOM 1277 C GLY A 94 -8.128 -10.101 4.753 1.00 0.00 C ATOM 1278 O GLY A 94 -8.684 -9.203 5.379 1.00 0.00 O ATOM 0 H GLY A 94 -6.333 -9.986 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.329 -9.100 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.063 -10.691 2.906 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.260 -10.954 5.306 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.139 -11.128 6.761 1.00 0.00 C ATOM 1284 C GLU A 95 -6.126 -10.115 7.298 1.00 0.00 C ATOM 1285 O GLU A 95 -4.932 -10.208 7.047 1.00 0.00 O ATOM 1286 CB GLU A 95 -6.734 -12.560 7.134 1.00 0.00 C ATOM 1287 CG GLU A 95 -7.843 -13.589 6.859 1.00 0.00 C ATOM 1288 CD GLU A 95 -9.023 -13.449 7.812 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -9.950 -12.664 7.495 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -8.984 -14.122 8.865 1.00 0.00 O ATOM 0 H GLU A 95 -6.625 -11.540 4.764 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.113 -10.951 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.842 -12.837 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.469 -12.593 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.194 -13.474 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.430 -14.594 6.944 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.684 -9.092 7.932 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.916 -7.916 8.354 1.00 0.00 C ATOM 1300 C ARG A 96 -4.993 -8.173 9.539 1.00 0.00 C ATOM 1301 O ARG A 96 -5.428 -8.487 10.654 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.823 -6.719 8.683 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.768 -6.409 7.533 1.00 0.00 C ATOM 1304 CD ARG A 96 -9.205 -6.485 8.011 1.00 0.00 C ATOM 1305 NE ARG A 96 -10.128 -6.617 6.873 1.00 0.00 N ATOM 1306 CZ ARG A 96 -11.375 -6.133 6.846 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -11.903 -5.564 7.922 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -12.178 -6.403 5.833 1.00 0.00 N ATOM 0 H ARG A 96 -7.675 -9.049 8.170 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.293 -7.681 7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.400 -6.934 9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.210 -5.844 8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.559 -5.415 7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.608 -7.116 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.325 -7.335 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.451 -5.590 8.582 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.794 -7.112 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.357 -5.492 8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.855 -5.198 7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.849 -6.985 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.127 -6.030 5.821 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.724 -8.124 9.192 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.627 -8.468 10.104 1.00 0.00 C ATOM 1324 C LYS A 97 -2.086 -7.271 10.880 1.00 0.00 C ATOM 1325 O LYS A 97 -2.056 -7.286 12.111 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.508 -9.169 9.345 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.126 -10.449 8.815 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.052 -11.414 8.398 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.123 -12.629 9.315 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.209 -13.618 8.757 1.00 0.00 N ATOM 0 H LYS A 97 -3.411 -7.843 8.263 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.043 -9.148 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.134 -8.547 8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.662 -9.382 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.754 -10.902 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.772 -10.225 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.192 -11.713 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.071 -10.944 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.836 -12.365 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.139 -13.022 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.680 -14.545 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.067 -13.332 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.639 -13.684 9.355 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.615 -6.282 10.132 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.988 -5.093 10.719 1.00 0.00 C ATOM 1346 C GLU A 98 -1.228 -3.875 9.824 1.00 0.00 C ATOM 1347 O GLU A 98 -1.321 -4.007 8.596 1.00 0.00 O ATOM 1348 CB GLU A 98 0.514 -5.375 10.872 1.00 0.00 C ATOM 1349 CG GLU A 98 1.116 -4.618 12.063 1.00 0.00 C ATOM 1350 CD GLU A 98 0.586 -5.183 13.375 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.000 -6.314 13.704 1.00 0.00 O ATOM 1352 OE2 GLU A 98 -0.203 -4.457 14.028 1.00 0.00 O ATOM 0 H GLU A 98 -1.653 -6.275 9.113 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.422 -4.874 11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.671 -6.445 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.033 -5.087 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.203 -4.695 12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.870 -3.559 11.990 1.00 0.00 H new ATOM 1360 N SER A 99 -1.328 -2.725 10.469 1.00 0.00 N ATOM 1361 CA SER A 99 -1.638 -1.446 9.797 1.00 0.00 C ATOM 1362 C SER A 99 -0.702 -0.300 10.198 1.00 0.00 C ATOM 1363 O SER A 99 -0.772 0.283 11.281 1.00 0.00 O ATOM 1364 CB SER A 99 -3.098 -1.046 10.062 1.00 0.00 C ATOM 1365 OG SER A 99 -3.392 -1.250 11.441 1.00 0.00 O ATOM 0 H SER A 99 -1.198 -2.637 11.477 1.00 0.00 H new ATOM 0 HA SER A 99 -1.483 -1.617 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.257 -0.002 9.794 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.770 -1.640 9.442 1.00 0.00 H new ATOM 0 HG SER A 99 -2.692 -0.838 11.989 1.00 0.00 H new ATOM 1371 N ILE A 100 0.168 0.010 9.256 1.00 0.00 N ATOM 1372 CA ILE A 100 1.155 1.106 9.390 1.00 0.00 C ATOM 1373 C ILE A 100 0.565 2.396 8.783 1.00 0.00 C ATOM 1374 O ILE A 100 0.563 2.599 7.570 1.00 0.00 O ATOM 1375 CB ILE A 100 2.518 0.643 8.811 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.345 -0.156 9.819 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.431 1.777 8.341 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.835 -1.529 10.232 1.00 0.00 C ATOM 0 H ILE A 100 0.224 -0.484 8.365 1.00 0.00 H new ATOM 0 HA ILE A 100 1.362 1.352 10.432 1.00 0.00 H new ATOM 0 HB ILE A 100 2.213 0.035 7.959 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.345 -0.282 9.405 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.447 0.448 10.721 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.360 1.359 7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.932 2.344 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.653 2.437 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.525 -1.973 10.950 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.851 -1.429 10.689 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.763 -2.170 9.353 1.00 0.00 H new ATOM 1390 N ILE A 101 -0.006 3.202 9.674 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.622 4.497 9.348 1.00 0.00 C ATOM 1392 C ILE A 101 0.423 5.619 9.504 1.00 0.00 C ATOM 1393 O ILE A 101 0.790 6.028 10.608 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.866 4.661 10.234 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.836 3.492 10.034 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.636 5.935 9.889 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -3.413 3.002 11.366 1.00 0.00 C ATOM 0 H ILE A 101 -0.057 2.973 10.667 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.953 4.550 8.311 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.506 4.701 11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.649 3.802 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.319 2.671 9.537 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.510 6.018 10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.991 6.801 10.037 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.957 5.895 8.848 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.096 2.173 11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.602 2.668 12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.952 3.816 11.851 1.00 0.00 H new ATOM 1409 N GLY A 102 0.869 6.086 8.338 1.00 0.00 N ATOM 1410 CA GLY A 102 1.950 7.082 8.194 1.00 0.00 C ATOM 1411 C GLY A 102 3.219 6.360 7.738 1.00 0.00 C ATOM 1412 O GLY A 102 4.254 6.412 8.405 1.00 0.00 O ATOM 0 H GLY A 102 0.486 5.781 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.667 7.845 7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.124 7.591 9.142 1.00 0.00 H new ATOM 1416 N ALA A 103 3.109 5.730 6.581 1.00 0.00 N ATOM 1417 CA ALA A 103 4.158 4.863 6.001 1.00 0.00 C ATOM 1418 C ALA A 103 5.316 5.653 5.380 1.00 0.00 C ATOM 1419 O ALA A 103 5.440 5.848 4.173 1.00 0.00 O ATOM 1420 CB ALA A 103 3.492 3.931 4.998 1.00 0.00 C ATOM 0 H ALA A 103 2.277 5.799 5.995 1.00 0.00 H new ATOM 0 HA ALA A 103 4.622 4.282 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.243 3.278 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.741 3.326 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.014 4.520 4.215 1.00 0.00 H new ATOM 1426 N VAL A 104 6.143 6.163 6.288 1.00 0.00 N ATOM 1427 CA VAL A 104 7.342 6.937 5.937 1.00 0.00 C ATOM 1428 C VAL A 104 8.663 6.172 6.232 1.00 0.00 C ATOM 1429 O VAL A 104 9.489 6.128 5.315 1.00 0.00 O ATOM 1430 CB VAL A 104 7.271 8.366 6.524 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.448 9.245 6.062 1.00 0.00 C ATOM 1432 CG2 VAL A 104 5.969 9.092 6.145 1.00 0.00 C ATOM 0 H VAL A 104 6.005 6.054 7.293 1.00 0.00 H new ATOM 0 HA VAL A 104 7.358 7.064 4.855 1.00 0.00 H new ATOM 0 HB VAL A 104 7.313 8.227 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.354 10.239 6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.387 8.794 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.437 9.325 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.969 10.091 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.899 9.170 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.115 8.530 6.524 1.00 0.00 H new ATOM 1442 N PRO A 105 8.871 5.519 7.393 1.00 0.00 N ATOM 1443 CA PRO A 105 10.130 4.791 7.654 1.00 0.00 C ATOM 1444 C PRO A 105 10.104 3.385 7.033 1.00 0.00 C ATOM 1445 O PRO A 105 9.534 2.447 7.586 1.00 0.00 O ATOM 1446 CB PRO A 105 10.256 4.777 9.181 1.00 0.00 C ATOM 1447 CG PRO A 105 8.809 4.754 9.676 1.00 0.00 C ATOM 1448 CD PRO A 105 8.050 5.559 8.617 1.00 0.00 C ATOM 0 HA PRO A 105 10.997 5.266 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.809 3.904 9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.788 5.656 9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.429 3.736 9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 105 8.717 5.205 10.664 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.064 5.131 8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 105 7.896 6.586 8.947 1.00 0.00 H new ATOM 1456 N LYS A 106 10.781 3.298 5.902 1.00 0.00 N ATOM 1457 CA LYS A 106 10.956 2.091 5.048 1.00 0.00 C ATOM 1458 C LYS A 106 10.953 0.763 5.837 1.00 0.00 C ATOM 1459 O LYS A 106 9.964 0.036 5.824 1.00 0.00 O ATOM 1460 CB LYS A 106 12.255 2.301 4.251 1.00 0.00 C ATOM 1461 CG LYS A 106 12.466 1.354 3.067 1.00 0.00 C ATOM 1462 CD LYS A 106 13.121 0.030 3.460 1.00 0.00 C ATOM 1463 CE LYS A 106 13.255 -0.880 2.232 1.00 0.00 C ATOM 1464 NZ LYS A 106 13.899 -2.120 2.663 1.00 0.00 N ATOM 0 H LYS A 106 11.262 4.109 5.513 1.00 0.00 H new ATOM 0 HA LYS A 106 10.101 1.988 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.271 3.326 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.099 2.195 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.503 1.150 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.086 1.850 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 106 14.104 0.216 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.525 -0.466 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.275 -1.088 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.846 -0.392 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.439 -2.929 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.905 -2.098 2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.812 -2.216 3.695 1.00 0.00 H new ATOM 1478 N SER A 107 11.915 0.669 6.761 1.00 0.00 N ATOM 1479 CA SER A 107 12.135 -0.534 7.595 1.00 0.00 C ATOM 1480 C SER A 107 10.934 -1.020 8.399 1.00 0.00 C ATOM 1481 O SER A 107 10.646 -2.219 8.359 1.00 0.00 O ATOM 1482 CB SER A 107 13.365 -0.354 8.496 1.00 0.00 C ATOM 1483 OG SER A 107 13.397 0.969 9.050 1.00 0.00 O ATOM 0 H SER A 107 12.570 1.425 6.958 1.00 0.00 H new ATOM 0 HA SER A 107 12.312 -1.333 6.875 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.344 -1.090 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.273 -0.535 7.921 1.00 0.00 H new ATOM 0 HG SER A 107 14.186 1.065 9.623 1.00 0.00 H new ATOM 1489 N THR A 108 10.171 -0.122 8.998 1.00 0.00 N ATOM 1490 CA THR A 108 8.940 -0.451 9.761 1.00 0.00 C ATOM 1491 C THR A 108 7.953 -1.299 8.927 1.00 0.00 C ATOM 1492 O THR A 108 7.726 -2.467 9.236 1.00 0.00 O ATOM 1493 CB THR A 108 8.335 0.890 10.215 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.329 1.561 10.995 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.000 0.759 10.959 1.00 0.00 C ATOM 0 H THR A 108 10.377 0.877 8.978 1.00 0.00 H new ATOM 0 HA THR A 108 9.171 -1.072 10.627 1.00 0.00 H new ATOM 0 HB THR A 108 8.074 1.475 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.930 2.342 11.432 1.00 0.00 H new ATOM 0 HG21 THR A 108 6.643 1.749 11.243 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.267 0.282 10.309 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.140 0.153 11.854 1.00 0.00 H new ATOM 1503 N LEU A 109 7.763 -0.832 7.697 1.00 0.00 N ATOM 1504 CA LEU A 109 6.881 -1.456 6.687 1.00 0.00 C ATOM 1505 C LEU A 109 7.610 -2.457 5.770 1.00 0.00 C ATOM 1506 O LEU A 109 7.442 -2.545 4.548 1.00 0.00 O ATOM 1507 CB LEU A 109 6.042 -0.421 5.907 1.00 0.00 C ATOM 1508 CG LEU A 109 6.855 0.725 5.315 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.349 1.092 3.927 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.817 1.943 6.235 1.00 0.00 C ATOM 0 H LEU A 109 8.224 0.011 7.356 1.00 0.00 H new ATOM 0 HA LEU A 109 6.168 -2.056 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.514 -0.931 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.284 -0.008 6.573 1.00 0.00 H new ATOM 0 HG LEU A 109 7.889 0.392 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.946 1.912 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.433 0.227 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.305 1.400 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.403 2.750 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.785 2.271 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.236 1.679 7.206 1.00 0.00 H new ATOM 1522 N THR A 110 8.546 -3.134 6.425 1.00 0.00 N ATOM 1523 CA THR A 110 9.334 -4.264 5.931 1.00 0.00 C ATOM 1524 C THR A 110 9.449 -5.332 7.042 1.00 0.00 C ATOM 1525 O THR A 110 8.962 -6.453 6.925 1.00 0.00 O ATOM 1526 CB THR A 110 10.720 -3.830 5.430 1.00 0.00 C ATOM 1527 OG1 THR A 110 10.585 -2.728 4.536 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.364 -5.007 4.714 1.00 0.00 C ATOM 0 H THR A 110 8.794 -2.893 7.384 1.00 0.00 H new ATOM 0 HA THR A 110 8.818 -4.692 5.071 1.00 0.00 H new ATOM 0 HB THR A 110 11.343 -3.522 6.269 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.359 -1.921 5.044 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.350 -4.717 4.351 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.464 -5.843 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.741 -5.306 3.871 1.00 0.00 H new ATOM 1536 N ASP A 111 9.842 -4.794 8.182 1.00 0.00 N ATOM 1537 CA ASP A 111 9.887 -5.452 9.505 1.00 0.00 C ATOM 1538 C ASP A 111 8.527 -6.100 9.814 1.00 0.00 C ATOM 1539 O ASP A 111 8.442 -7.301 10.048 1.00 0.00 O ATOM 1540 CB ASP A 111 10.168 -4.310 10.500 1.00 0.00 C ATOM 1541 CG ASP A 111 10.499 -4.787 11.917 1.00 0.00 C ATOM 1542 OD1 ASP A 111 11.607 -4.411 12.384 1.00 0.00 O ATOM 1543 OD2 ASP A 111 9.628 -5.450 12.518 1.00 0.00 O ATOM 0 H ASP A 111 10.161 -3.826 8.228 1.00 0.00 H new ATOM 0 HA ASP A 111 10.640 -6.239 9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.999 -3.712 10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.297 -3.656 10.542 1.00 0.00 H new ATOM 1549 N SER A 112 7.478 -5.321 9.540 1.00 0.00 N ATOM 1550 CA SER A 112 6.093 -5.761 9.744 1.00 0.00 C ATOM 1551 C SER A 112 5.593 -6.938 8.904 1.00 0.00 C ATOM 1552 O SER A 112 4.765 -7.688 9.398 1.00 0.00 O ATOM 1553 CB SER A 112 5.106 -4.590 9.697 1.00 0.00 C ATOM 1554 OG SER A 112 3.880 -5.027 10.301 1.00 0.00 O ATOM 0 H SER A 112 7.562 -4.373 9.173 1.00 0.00 H new ATOM 0 HA SER A 112 6.131 -6.174 10.752 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.509 -3.729 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.934 -4.276 8.667 1.00 0.00 H new ATOM 0 HG SER A 112 3.126 -4.787 9.722 1.00 0.00 H new ATOM 1560 N ILE A 113 6.244 -7.196 7.773 1.00 0.00 N ATOM 1561 CA ILE A 113 5.900 -8.346 6.912 1.00 0.00 C ATOM 1562 C ILE A 113 6.613 -9.585 7.477 1.00 0.00 C ATOM 1563 O ILE A 113 5.963 -10.504 7.969 1.00 0.00 O ATOM 1564 CB ILE A 113 6.362 -8.139 5.456 1.00 0.00 C ATOM 1565 CG1 ILE A 113 5.580 -6.997 4.849 1.00 0.00 C ATOM 1566 CG2 ILE A 113 6.209 -9.354 4.556 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.224 -5.676 5.190 1.00 0.00 C ATOM 0 H ILE A 113 7.016 -6.628 7.423 1.00 0.00 H new ATOM 0 HA ILE A 113 4.816 -8.462 6.906 1.00 0.00 H new ATOM 0 HB ILE A 113 7.431 -7.932 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.532 -7.116 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.554 -7.014 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.560 -9.111 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.798 -10.180 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.159 -9.645 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.648 -4.865 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.249 -5.552 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.241 -5.656 4.799 1.00 0.00 H new ATOM 1579 N GLU A 114 7.931 -9.409 7.574 1.00 0.00 N ATOM 1580 CA GLU A 114 8.901 -10.412 8.040 1.00 0.00 C ATOM 1581 C GLU A 114 8.665 -10.984 9.451 1.00 0.00 C ATOM 1582 O GLU A 114 9.293 -11.938 9.895 1.00 0.00 O ATOM 1583 CB GLU A 114 10.314 -9.828 7.944 1.00 0.00 C ATOM 1584 CG GLU A 114 10.698 -9.558 6.481 1.00 0.00 C ATOM 1585 CD GLU A 114 12.055 -8.854 6.401 1.00 0.00 C ATOM 1586 OE1 GLU A 114 13.071 -9.574 6.320 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.036 -7.607 6.441 1.00 0.00 O ATOM 0 H GLU A 114 8.375 -8.527 7.320 1.00 0.00 H new ATOM 0 HA GLU A 114 8.765 -11.267 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.368 -8.901 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.029 -10.520 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.737 -10.498 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.934 -8.942 6.007 1.00 0.00 H new ATOM 1595 N LYS A 115 7.791 -10.285 10.143 1.00 0.00 N ATOM 1596 CA LYS A 115 7.209 -10.640 11.450 1.00 0.00 C ATOM 1597 C LYS A 115 6.442 -11.974 11.392 1.00 0.00 C ATOM 1598 O LYS A 115 6.381 -12.713 12.378 1.00 0.00 O ATOM 1599 CB LYS A 115 6.263 -9.472 11.653 1.00 0.00 C ATOM 1600 CG LYS A 115 5.632 -9.449 13.045 1.00 0.00 C ATOM 1601 CD LYS A 115 4.568 -8.371 13.079 1.00 0.00 C ATOM 1602 CE LYS A 115 5.179 -6.979 12.955 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.012 -6.344 14.248 1.00 0.00 N ATOM 0 H LYS A 115 7.435 -9.393 9.798 1.00 0.00 H new ATOM 0 HA LYS A 115 7.940 -10.785 12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.805 -8.540 11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.473 -9.517 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.194 -10.420 13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.392 -9.253 13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.859 -8.532 12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.007 -8.442 14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.233 -7.040 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.682 -6.405 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.414 -5.385 14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.000 -6.288 14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.502 -6.903 14.975 1.00 0.00 H new ATOM 1617 N TYR A 116 5.693 -12.139 10.315 1.00 0.00 N ATOM 1618 CA TYR A 116 4.865 -13.323 10.004 1.00 0.00 C ATOM 1619 C TYR A 116 5.189 -13.979 8.651 1.00 0.00 C ATOM 1620 O TYR A 116 5.600 -15.143 8.578 1.00 0.00 O ATOM 1621 CB TYR A 116 3.353 -12.994 10.053 1.00 0.00 C ATOM 1622 CG TYR A 116 2.960 -11.594 9.549 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.722 -11.321 8.187 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.803 -10.620 10.556 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.378 -10.018 7.807 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.435 -9.322 10.177 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.258 -9.044 8.812 1.00 0.00 C ATOM 1628 OH TYR A 116 2.054 -7.751 8.474 1.00 0.00 O ATOM 0 H TYR A 116 5.633 -11.424 9.590 1.00 0.00 H new ATOM 0 HA TYR A 116 5.117 -14.041 10.784 1.00 0.00 H new ATOM 0 HB2 TYR A 116 2.819 -13.737 9.461 1.00 0.00 H new ATOM 0 HB3 TYR A 116 3.010 -13.100 11.082 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.804 -12.104 7.448 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.963 -10.868 11.595 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.210 -9.769 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.290 -8.551 10.920 1.00 0.00 H new ATOM 0 HH TYR A 116 2.444 -7.578 7.592 1.00 0.00 H new ATOM 1638 N LEU A 117 5.166 -13.150 7.613 1.00 0.00 N ATOM 1639 CA LEU A 117 5.343 -13.513 6.201 1.00 0.00 C ATOM 1640 C LEU A 117 6.814 -13.254 5.877 1.00 0.00 C ATOM 1641 O LEU A 117 7.267 -12.165 5.547 1.00 0.00 O ATOM 1642 CB LEU A 117 4.393 -12.570 5.480 1.00 0.00 C ATOM 1643 CG LEU A 117 3.997 -12.921 4.052 1.00 0.00 C ATOM 1644 CD1 LEU A 117 3.464 -14.351 3.906 1.00 0.00 C ATOM 1645 CD2 LEU A 117 2.914 -11.929 3.651 1.00 0.00 C ATOM 0 H LEU A 117 5.015 -12.149 7.735 1.00 0.00 H new ATOM 0 HA LEU A 117 5.127 -14.546 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.481 -12.495 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.848 -11.580 5.468 1.00 0.00 H new ATOM 0 HG LEU A 117 4.878 -12.865 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.200 -14.536 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.232 -15.059 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.580 -14.476 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.591 -12.135 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.064 -12.025 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.310 -10.915 3.708 1.00 0.00 H new