USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 934 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 73 MET CE :methyl -110:sc= -0.251 (180deg=-1.41) USER MOD Set 1.2: A 89 SER OG : rot 12:sc= -0.133 USER MOD Set 2.1: A 65 ASN : amide:sc= -1.13 K(o=-0.98,f=-2!) USER MOD Set 2.2: A 88 TYR OH : rot 61:sc= 0.145 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 29 ASN : amide:sc=-0.00929 K(o=-0.0093,f=-0.8) USER MOD Single : A 1 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) USER MOD Single : A 1 GLN N :NH3+ -141:sc= -0.402 (180deg=-2.6!) USER MOD Single : A 3 ASN : amide:sc= -0.658 X(o=-0.66,f=-0.26) USER MOD Single : A 15 GLN : amide:sc= -3.78! C(o=-3.8!,f=-8.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.755 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.4!) USER MOD Single : A 49 SER OG : rot 55:sc= 0.229 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 146:sc= 0.00805 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.29 F(o=-2.3!,f=-1.3) USER MOD Single : A 84 SER OG : rot 60:sc= -1.89! USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 150:sc= 0.695 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -128:sc= -0.973 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.106 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -140:sc= -1.56 USER MOD Single : A 110 THR OG1 : rot -100:sc= -0.387 USER MOD Single : A 115 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.9!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0245 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.193 -8.090 -16.598 1.00 0.00 N ATOM 2 CA GLN A 1 23.599 -9.424 -16.733 1.00 0.00 C ATOM 3 C GLN A 1 22.061 -9.363 -16.695 1.00 0.00 C ATOM 4 O GLN A 1 21.399 -9.555 -17.705 1.00 0.00 O ATOM 5 CB GLN A 1 24.145 -10.183 -15.568 1.00 0.00 C ATOM 6 CG GLN A 1 25.651 -10.237 -15.628 1.00 0.00 C ATOM 7 CD GLN A 1 26.263 -10.460 -14.285 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.528 -11.569 -13.873 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.419 -9.350 -13.578 1.00 0.00 N ATOM 0 H1 GLN A 1 25.018 -8.012 -17.227 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.490 -7.369 -16.858 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.493 -7.942 -15.613 1.00 0.00 H new ATOM 0 HA GLN A 1 23.842 -9.893 -17.686 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.830 -9.709 -14.638 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.739 -11.195 -15.564 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.957 -11.037 -16.302 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.030 -9.305 -16.047 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.176 -8.447 -13.986 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.782 -9.398 -12.626 1.00 0.00 H new ATOM 18 N CYS A 2 21.521 -9.080 -15.512 1.00 0.00 N ATOM 19 CA CYS A 2 20.078 -8.999 -15.315 1.00 0.00 C ATOM 20 C CYS A 2 19.584 -7.697 -15.886 1.00 0.00 C ATOM 21 O CYS A 2 18.403 -7.545 -16.187 1.00 0.00 O ATOM 22 CB CYS A 2 19.745 -9.153 -13.838 1.00 0.00 C ATOM 23 SG CYS A 2 20.621 -10.598 -13.131 1.00 0.00 S ATOM 0 H CYS A 2 22.068 -8.902 -14.669 1.00 0.00 H new ATOM 0 HA CYS A 2 19.571 -9.810 -15.837 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.028 -8.249 -13.299 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.669 -9.275 -13.712 1.00 0.00 H new ATOM 28 N ASN A 3 20.530 -6.742 -16.024 1.00 0.00 N ATOM 29 CA ASN A 3 20.238 -5.435 -16.508 1.00 0.00 C ATOM 30 C ASN A 3 19.196 -4.744 -15.601 1.00 0.00 C ATOM 31 O ASN A 3 18.324 -4.019 -16.066 1.00 0.00 O ATOM 32 CB ASN A 3 19.733 -5.589 -17.947 1.00 0.00 C ATOM 33 CG ASN A 3 19.541 -4.303 -18.675 1.00 0.00 C ATOM 34 OD1 ASN A 3 20.484 -3.641 -19.081 1.00 0.00 O ATOM 35 ND2 ASN A 3 18.318 -3.926 -18.807 1.00 0.00 N ATOM 0 H ASN A 3 21.513 -6.888 -15.793 1.00 0.00 H new ATOM 0 HA ASN A 3 21.125 -4.801 -16.495 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.440 -6.205 -18.503 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.786 -6.128 -17.931 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.104 -3.041 -19.267 1.00 0.00 H new ATOM 0 HD22 ASN A 3 17.562 -4.512 -18.452 1.00 0.00 H new ATOM 42 N ALA A 4 19.354 -4.960 -14.285 1.00 0.00 N ATOM 43 CA ALA A 4 18.469 -4.388 -13.232 1.00 0.00 C ATOM 44 C ALA A 4 17.023 -4.889 -13.335 1.00 0.00 C ATOM 45 O ALA A 4 16.427 -4.845 -14.401 1.00 0.00 O ATOM 46 CB ALA A 4 18.510 -2.874 -13.256 1.00 0.00 C ATOM 0 H ALA A 4 20.104 -5.540 -13.909 1.00 0.00 H new ATOM 0 HA ALA A 4 18.858 -4.738 -12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.856 -2.480 -12.478 1.00 0.00 H new ATOM 0 HB2 ALA A 4 19.530 -2.535 -13.078 1.00 0.00 H new ATOM 0 HB3 ALA A 4 18.173 -2.516 -14.229 1.00 0.00 H new ATOM 52 N PRO A 5 16.451 -5.419 -12.240 1.00 0.00 N ATOM 53 CA PRO A 5 15.073 -5.932 -12.268 1.00 0.00 C ATOM 54 C PRO A 5 14.042 -4.918 -12.670 1.00 0.00 C ATOM 55 O PRO A 5 13.364 -5.071 -13.696 1.00 0.00 O ATOM 56 CB PRO A 5 14.786 -6.313 -10.802 1.00 0.00 C ATOM 57 CG PRO A 5 15.901 -5.699 -9.992 1.00 0.00 C ATOM 58 CD PRO A 5 17.073 -5.563 -10.911 1.00 0.00 C ATOM 0 HA PRO A 5 15.007 -6.739 -12.997 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.816 -5.934 -10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.762 -7.396 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.603 -4.727 -9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.150 -6.328 -9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.684 -4.697 -10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.724 -6.436 -10.864 1.00 0.00 H new ATOM 66 N GLU A 6 13.991 -3.844 -11.891 1.00 0.00 N ATOM 67 CA GLU A 6 12.990 -2.834 -11.967 1.00 0.00 C ATOM 68 C GLU A 6 12.998 -2.059 -10.632 1.00 0.00 C ATOM 69 O GLU A 6 13.619 -2.523 -9.656 1.00 0.00 O ATOM 70 CB GLU A 6 11.652 -3.535 -12.152 1.00 0.00 C ATOM 71 CG GLU A 6 10.492 -2.653 -12.080 1.00 0.00 C ATOM 72 CD GLU A 6 10.353 -1.674 -13.246 1.00 0.00 C ATOM 73 OE1 GLU A 6 10.906 -1.923 -14.327 1.00 0.00 O ATOM 74 OE2 GLU A 6 9.654 -0.653 -13.076 1.00 0.00 O ATOM 0 H GLU A 6 14.684 -3.663 -11.165 1.00 0.00 H new ATOM 0 HA GLU A 6 13.167 -2.143 -12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.650 -4.038 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.553 -4.308 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.591 -3.265 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.544 -2.084 -11.152 1.00 0.00 H new ATOM 81 N TRP A 7 12.345 -0.908 -10.580 1.00 0.00 N ATOM 82 CA TRP A 7 12.172 -0.195 -9.344 1.00 0.00 C ATOM 83 C TRP A 7 10.885 -0.636 -8.666 1.00 0.00 C ATOM 84 O TRP A 7 9.798 -0.553 -9.264 1.00 0.00 O ATOM 85 CB TRP A 7 12.208 1.307 -9.587 1.00 0.00 C ATOM 86 CG TRP A 7 11.964 2.109 -8.350 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.851 2.403 -7.354 1.00 0.00 C ATOM 88 CD2 TRP A 7 10.751 2.803 -8.036 1.00 0.00 C ATOM 89 NE1 TRP A 7 12.232 3.159 -6.391 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.950 3.437 -6.795 1.00 0.00 C ATOM 91 CE3 TRP A 7 9.513 2.932 -8.667 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.949 4.196 -6.172 1.00 0.00 C ATOM 93 CZ3 TRP A 7 8.523 3.676 -8.063 1.00 0.00 C ATOM 94 CH2 TRP A 7 8.737 4.308 -6.823 1.00 0.00 C ATOM 0 H TRP A 7 11.927 -0.453 -11.391 1.00 0.00 H new ATOM 0 HA TRP A 7 12.996 -0.431 -8.671 1.00 0.00 H new ATOM 0 HB2 TRP A 7 13.178 1.578 -10.003 1.00 0.00 H new ATOM 0 HB3 TRP A 7 11.458 1.566 -10.334 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.884 2.088 -7.328 1.00 0.00 H new ATOM 0 HE1 TRP A 7 12.656 3.465 -5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.333 2.454 -9.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.120 4.675 -5.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 7.564 3.776 -8.550 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.943 4.888 -6.376 1.00 0.00 H new ATOM 105 N LEU A 8 10.983 -1.085 -7.418 1.00 0.00 N ATOM 106 CA LEU A 8 9.849 -1.668 -6.736 1.00 0.00 C ATOM 107 C LEU A 8 9.450 -0.870 -5.486 1.00 0.00 C ATOM 108 O LEU A 8 10.124 -0.911 -4.458 1.00 0.00 O ATOM 109 CB LEU A 8 10.156 -3.114 -6.410 1.00 0.00 C ATOM 110 CG LEU A 8 8.954 -3.997 -6.167 1.00 0.00 C ATOM 111 CD1 LEU A 8 9.245 -5.441 -6.515 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.542 -3.887 -4.758 1.00 0.00 C ATOM 0 H LEU A 8 11.839 -1.053 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 8 8.985 -1.629 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.736 -3.538 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.790 -3.141 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 8 8.145 -3.660 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.358 -6.046 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.518 -5.514 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.069 -5.804 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.675 -4.524 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.362 -4.204 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.284 -2.852 -4.534 1.00 0.00 H new ATOM 124 N PRO A 9 8.314 -0.146 -5.580 1.00 0.00 N ATOM 125 CA PRO A 9 7.829 0.753 -4.519 1.00 0.00 C ATOM 126 C PRO A 9 7.381 0.052 -3.212 1.00 0.00 C ATOM 127 O PRO A 9 7.341 0.678 -2.151 1.00 0.00 O ATOM 128 CB PRO A 9 6.649 1.473 -5.181 1.00 0.00 C ATOM 129 CG PRO A 9 6.205 0.591 -6.291 1.00 0.00 C ATOM 130 CD PRO A 9 7.399 -0.215 -6.718 1.00 0.00 C ATOM 0 HA PRO A 9 8.633 1.406 -4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.842 1.639 -4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.949 2.452 -5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.396 -0.062 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.821 1.182 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.123 -1.245 -6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.854 0.197 -7.619 1.00 0.00 H new ATOM 138 N PHE A 10 7.042 -1.238 -3.272 1.00 0.00 N ATOM 139 CA PHE A 10 6.576 -1.957 -2.074 1.00 0.00 C ATOM 140 C PHE A 10 7.696 -2.708 -1.380 1.00 0.00 C ATOM 141 O PHE A 10 7.460 -3.451 -0.435 1.00 0.00 O ATOM 142 CB PHE A 10 5.360 -2.900 -2.347 1.00 0.00 C ATOM 143 CG PHE A 10 5.229 -3.490 -3.722 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.678 -2.738 -4.746 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.659 -4.777 -3.992 1.00 0.00 C ATOM 146 CE1 PHE A 10 4.551 -3.268 -6.005 1.00 0.00 C ATOM 147 CE2 PHE A 10 5.536 -5.319 -5.250 1.00 0.00 C ATOM 148 CZ PHE A 10 4.981 -4.565 -6.269 1.00 0.00 C ATOM 0 H PHE A 10 7.079 -1.803 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 10 6.223 -1.179 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.406 -3.722 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.448 -2.342 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.346 -1.729 -4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.099 -5.366 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.115 -2.675 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.871 -6.328 -5.442 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.882 -4.980 -7.261 1.00 0.00 H new ATOM 158 N ALA A 11 8.938 -2.496 -1.836 1.00 0.00 N ATOM 159 CA ALA A 11 10.084 -3.142 -1.212 1.00 0.00 C ATOM 160 C ALA A 11 11.191 -2.149 -0.913 1.00 0.00 C ATOM 161 O ALA A 11 11.348 -1.153 -1.605 1.00 0.00 O ATOM 162 CB ALA A 11 10.623 -4.264 -2.098 1.00 0.00 C ATOM 0 H ALA A 11 9.166 -1.890 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 11 9.740 -3.565 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.479 -4.732 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.843 -5.009 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.932 -3.852 -3.059 1.00 0.00 H new ATOM 168 N ARG A 12 11.943 -2.419 0.147 1.00 0.00 N ATOM 169 CA ARG A 12 13.088 -1.594 0.532 1.00 0.00 C ATOM 170 C ARG A 12 14.369 -2.481 0.535 1.00 0.00 C ATOM 171 O ARG A 12 14.988 -2.687 1.566 1.00 0.00 O ATOM 172 CB ARG A 12 12.859 -0.939 1.919 1.00 0.00 C ATOM 173 CG ARG A 12 12.720 -1.919 3.096 1.00 0.00 C ATOM 174 CD ARG A 12 12.028 -1.278 4.294 1.00 0.00 C ATOM 175 NE ARG A 12 12.658 -0.008 4.682 1.00 0.00 N ATOM 176 CZ ARG A 12 13.359 0.183 5.808 1.00 0.00 C ATOM 177 NH1 ARG A 12 13.720 -0.870 6.549 1.00 0.00 N ATOM 178 NH2 ARG A 12 13.736 1.397 6.166 1.00 0.00 N ATOM 0 H ARG A 12 11.779 -3.214 0.765 1.00 0.00 H new ATOM 0 HA ARG A 12 13.211 -0.785 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.691 -0.265 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.958 -0.328 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.153 -2.793 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.708 -2.271 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.979 -1.104 4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.053 -1.967 5.138 1.00 0.00 H new ATOM 0 HE ARG A 12 12.554 0.785 4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.462 -1.812 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.254 -0.731 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.494 2.199 5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.269 1.533 7.025 1.00 0.00 H new ATOM 192 N PRO A 13 14.762 -3.017 -0.641 1.00 0.00 N ATOM 193 CA PRO A 13 15.899 -3.902 -0.771 1.00 0.00 C ATOM 194 C PRO A 13 17.186 -3.232 -0.391 1.00 0.00 C ATOM 195 O PRO A 13 17.390 -2.049 -0.628 1.00 0.00 O ATOM 196 CB PRO A 13 15.888 -4.345 -2.221 1.00 0.00 C ATOM 197 CG PRO A 13 14.562 -3.936 -2.737 1.00 0.00 C ATOM 198 CD PRO A 13 14.167 -2.733 -1.939 1.00 0.00 C ATOM 0 HA PRO A 13 15.827 -4.751 -0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.693 -3.873 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.029 -5.423 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.612 -3.701 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.833 -4.738 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.556 -1.811 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.084 -2.624 -1.876 1.00 0.00 H new ATOM 206 N THR A 14 18.061 -4.005 0.160 1.00 0.00 N ATOM 207 CA THR A 14 19.255 -3.501 0.754 1.00 0.00 C ATOM 208 C THR A 14 20.409 -3.505 -0.228 1.00 0.00 C ATOM 209 O THR A 14 21.492 -2.981 0.048 1.00 0.00 O ATOM 210 CB THR A 14 19.609 -4.375 1.967 1.00 0.00 C ATOM 211 OG1 THR A 14 20.312 -5.554 1.519 1.00 0.00 O ATOM 212 CG2 THR A 14 18.340 -4.841 2.661 1.00 0.00 C ATOM 0 H THR A 14 17.966 -5.019 0.211 1.00 0.00 H new ATOM 0 HA THR A 14 19.083 -2.469 1.061 1.00 0.00 H new ATOM 0 HB THR A 14 20.223 -3.787 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.540 -6.112 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.601 -5.460 3.519 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.770 -3.975 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.737 -5.423 1.964 1.00 0.00 H new ATOM 220 N GLN A 15 20.184 -4.104 -1.373 1.00 0.00 N ATOM 221 CA GLN A 15 21.242 -4.316 -2.345 1.00 0.00 C ATOM 222 C GLN A 15 20.940 -3.636 -3.674 1.00 0.00 C ATOM 223 O GLN A 15 21.771 -3.068 -4.287 1.00 0.00 O ATOM 224 CB GLN A 15 21.442 -5.806 -2.521 1.00 0.00 C ATOM 225 CG GLN A 15 20.228 -6.618 -2.181 1.00 0.00 C ATOM 226 CD GLN A 15 19.181 -6.521 -3.261 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.481 -6.382 -4.398 1.00 0.00 O ATOM 228 NE2 GLN A 15 17.953 -6.583 -2.894 1.00 0.00 N ATOM 0 H GLN A 15 19.271 -4.458 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 15 22.162 -3.862 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.726 -6.007 -3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.273 -6.129 -1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.513 -7.661 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 15 19.810 -6.272 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 15 17.721 -6.703 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.209 -6.512 -3.588 1.00 0.00 H new ATOM 237 N LEU A 16 19.686 -3.589 -3.966 1.00 0.00 N ATOM 238 CA LEU A 16 19.147 -3.095 -5.214 1.00 0.00 C ATOM 239 C LEU A 16 19.462 -1.673 -5.451 1.00 0.00 C ATOM 240 O LEU A 16 19.744 -1.271 -6.575 1.00 0.00 O ATOM 241 CB LEU A 16 17.674 -3.250 -5.174 1.00 0.00 C ATOM 242 CG LEU A 16 16.920 -2.679 -6.326 1.00 0.00 C ATOM 243 CD1 LEU A 16 17.216 -3.429 -7.585 1.00 0.00 C ATOM 244 CD2 LEU A 16 15.478 -2.680 -5.975 1.00 0.00 C ATOM 0 H LEU A 16 18.963 -3.906 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 16 19.599 -3.669 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.443 -4.313 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.305 -2.785 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 16 17.231 -1.652 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.653 -2.992 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.283 -3.369 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.928 -4.473 -7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.902 -2.266 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.152 -3.702 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.320 -2.073 -5.084 1.00 0.00 H new ATOM 256 N THR A 17 19.396 -0.943 -4.422 1.00 0.00 N ATOM 257 CA THR A 17 19.403 0.470 -4.464 1.00 0.00 C ATOM 258 C THR A 17 20.576 0.998 -5.290 1.00 0.00 C ATOM 259 O THR A 17 20.409 1.946 -6.058 1.00 0.00 O ATOM 260 CB THR A 17 19.429 1.042 -3.021 1.00 0.00 C ATOM 261 OG1 THR A 17 19.272 2.458 -3.026 1.00 0.00 O ATOM 262 CG2 THR A 17 20.722 0.656 -2.274 1.00 0.00 C ATOM 0 H THR A 17 19.332 -1.321 -3.477 1.00 0.00 H new ATOM 0 HA THR A 17 18.489 0.805 -4.955 1.00 0.00 H new ATOM 0 HB THR A 17 18.587 0.598 -2.490 1.00 0.00 H new ATOM 0 HG1 THR A 17 19.290 2.792 -2.105 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.700 1.076 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.796 -0.430 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.584 1.049 -2.813 1.00 0.00 H new ATOM 270 N ASP A 18 21.753 0.423 -5.138 1.00 0.00 N ATOM 271 CA ASP A 18 22.852 0.868 -5.957 1.00 0.00 C ATOM 272 C ASP A 18 23.486 -0.345 -6.658 1.00 0.00 C ATOM 273 O ASP A 18 24.488 -0.231 -7.341 1.00 0.00 O ATOM 274 CB ASP A 18 23.873 1.619 -5.101 1.00 0.00 C ATOM 275 CG ASP A 18 24.871 2.419 -5.933 1.00 0.00 C ATOM 276 OD1 ASP A 18 24.473 3.503 -6.425 1.00 0.00 O ATOM 277 OD2 ASP A 18 26.035 2.004 -6.059 1.00 0.00 O ATOM 0 H ASP A 18 21.965 -0.326 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 18 22.492 1.557 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 18 23.347 2.294 -4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 18 24.415 0.905 -4.480 1.00 0.00 H new ATOM 282 N GLU A 19 22.830 -1.522 -6.541 1.00 0.00 N ATOM 283 CA GLU A 19 23.424 -2.748 -7.030 1.00 0.00 C ATOM 284 C GLU A 19 22.359 -3.457 -7.807 1.00 0.00 C ATOM 285 O GLU A 19 21.778 -4.449 -7.384 1.00 0.00 O ATOM 286 CB GLU A 19 23.861 -3.606 -5.871 1.00 0.00 C ATOM 287 CG GLU A 19 24.857 -2.893 -5.012 1.00 0.00 C ATOM 288 CD GLU A 19 25.356 -3.696 -3.815 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.980 -4.874 -3.666 1.00 0.00 O ATOM 290 OE2 GLU A 19 26.108 -3.130 -3.003 1.00 0.00 O ATOM 0 H GLU A 19 21.908 -1.630 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 19 24.298 -2.542 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.993 -3.882 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.297 -4.532 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.712 -2.613 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.408 -1.968 -4.650 1.00 0.00 H new ATOM 297 N PHE A 20 22.104 -2.904 -8.884 1.00 0.00 N ATOM 298 CA PHE A 20 21.058 -3.285 -9.784 1.00 0.00 C ATOM 299 C PHE A 20 21.294 -4.686 -10.383 1.00 0.00 C ATOM 300 O PHE A 20 20.335 -5.452 -10.617 1.00 0.00 O ATOM 301 CB PHE A 20 20.986 -2.241 -10.871 1.00 0.00 C ATOM 302 CG PHE A 20 20.643 -0.866 -10.335 1.00 0.00 C ATOM 303 CD1 PHE A 20 19.441 -0.599 -9.693 1.00 0.00 C ATOM 304 CD2 PHE A 20 21.584 0.154 -10.425 1.00 0.00 C ATOM 305 CE1 PHE A 20 19.187 0.661 -9.165 1.00 0.00 C ATOM 306 CE2 PHE A 20 21.338 1.406 -9.901 1.00 0.00 C ATOM 307 CZ PHE A 20 20.142 1.658 -9.276 1.00 0.00 C ATOM 0 H PHE A 20 22.641 -2.106 -9.222 1.00 0.00 H new ATOM 0 HA PHE A 20 20.114 -3.341 -9.242 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.943 -2.196 -11.391 1.00 0.00 H new ATOM 0 HB3 PHE A 20 20.238 -2.538 -11.606 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.697 -1.377 -9.603 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.527 -0.038 -10.915 1.00 0.00 H new ATOM 0 HE1 PHE A 20 18.248 0.862 -8.670 1.00 0.00 H new ATOM 0 HE2 PHE A 20 22.083 2.184 -9.982 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.945 2.639 -8.869 1.00 0.00 H new ATOM 317 N GLU A 21 22.543 -4.990 -10.664 1.00 0.00 N ATOM 318 CA GLU A 21 22.896 -6.184 -11.464 1.00 0.00 C ATOM 319 C GLU A 21 23.730 -7.211 -10.726 1.00 0.00 C ATOM 320 O GLU A 21 24.655 -6.880 -9.991 1.00 0.00 O ATOM 321 CB GLU A 21 23.666 -5.773 -12.693 1.00 0.00 C ATOM 322 CG GLU A 21 22.873 -5.000 -13.706 1.00 0.00 C ATOM 323 CD GLU A 21 23.731 -4.565 -14.843 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.923 -4.864 -14.808 1.00 0.00 O ATOM 325 OE2 GLU A 21 23.213 -3.962 -15.779 1.00 0.00 O ATOM 0 H GLU A 21 23.344 -4.438 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 21 21.942 -6.650 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.520 -5.170 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.064 -6.668 -13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.055 -5.617 -14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.424 -4.128 -13.231 1.00 0.00 H new ATOM 332 N PHE A 22 23.387 -8.492 -10.958 1.00 0.00 N ATOM 333 CA PHE A 22 24.088 -9.628 -10.395 1.00 0.00 C ATOM 334 C PHE A 22 24.037 -10.842 -11.352 1.00 0.00 C ATOM 335 O PHE A 22 23.231 -10.879 -12.253 1.00 0.00 O ATOM 336 CB PHE A 22 23.460 -10.009 -9.062 1.00 0.00 C ATOM 337 CG PHE A 22 23.716 -9.040 -7.949 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.879 -9.120 -7.209 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.797 -8.060 -7.627 1.00 0.00 C ATOM 340 CE1 PHE A 22 25.122 -8.247 -6.183 1.00 0.00 C ATOM 341 CE2 PHE A 22 23.032 -7.184 -6.602 1.00 0.00 C ATOM 342 CZ PHE A 22 24.198 -7.274 -5.877 1.00 0.00 C ATOM 0 H PHE A 22 22.601 -8.755 -11.553 1.00 0.00 H new ATOM 0 HA PHE A 22 25.131 -9.346 -10.247 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.383 -10.108 -9.198 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.835 -10.989 -8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.607 -9.882 -7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.880 -7.984 -8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 22 26.037 -8.322 -5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.304 -6.423 -6.363 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.388 -6.582 -5.069 1.00 0.00 H new ATOM 352 N PRO A 23 24.955 -11.821 -11.191 1.00 0.00 N ATOM 353 CA PRO A 23 24.968 -13.077 -11.952 1.00 0.00 C ATOM 354 C PRO A 23 23.831 -14.051 -11.543 1.00 0.00 C ATOM 355 O PRO A 23 23.262 -13.936 -10.457 1.00 0.00 O ATOM 356 CB PRO A 23 26.348 -13.658 -11.670 1.00 0.00 C ATOM 357 CG PRO A 23 26.663 -13.182 -10.305 1.00 0.00 C ATOM 358 CD PRO A 23 26.093 -11.786 -10.209 1.00 0.00 C ATOM 0 HA PRO A 23 24.788 -12.908 -13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.341 -14.747 -11.722 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.084 -13.309 -12.394 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.222 -13.836 -9.552 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.739 -13.177 -10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.749 -11.558 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.831 -11.029 -10.473 1.00 0.00 H new ATOM 366 N ILE A 24 23.513 -15.026 -12.416 1.00 0.00 N ATOM 367 CA ILE A 24 22.446 -16.009 -12.132 1.00 0.00 C ATOM 368 C ILE A 24 22.848 -16.871 -10.964 1.00 0.00 C ATOM 369 O ILE A 24 23.982 -17.328 -10.863 1.00 0.00 O ATOM 370 CB ILE A 24 22.150 -16.937 -13.346 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.589 -16.156 -14.518 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.182 -18.067 -12.946 1.00 0.00 C ATOM 373 CD1 ILE A 24 21.542 -16.938 -15.806 1.00 0.00 C ATOM 0 H ILE A 24 23.974 -15.155 -13.317 1.00 0.00 H new ATOM 0 HA ILE A 24 21.543 -15.440 -11.910 1.00 0.00 H new ATOM 0 HB ILE A 24 23.096 -17.379 -13.658 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.582 -15.822 -14.270 1.00 0.00 H new ATOM 0 HG13 ILE A 24 22.194 -15.262 -14.669 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.989 -18.703 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.627 -18.662 -12.149 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.244 -17.636 -12.596 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.129 -16.312 -16.597 1.00 0.00 H new ATOM 0 HD12 ILE A 24 22.550 -17.250 -16.079 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.913 -17.818 -15.674 1.00 0.00 H new ATOM 385 N GLY A 25 21.897 -17.083 -10.078 1.00 0.00 N ATOM 386 CA GLY A 25 22.136 -17.818 -8.862 1.00 0.00 C ATOM 387 C GLY A 25 22.534 -16.914 -7.717 1.00 0.00 C ATOM 388 O GLY A 25 23.005 -17.382 -6.687 1.00 0.00 O ATOM 0 H GLY A 25 20.939 -16.749 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.236 -18.371 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.922 -18.553 -9.032 1.00 0.00 H new ATOM 392 N THR A 26 22.353 -15.615 -7.922 1.00 0.00 N ATOM 393 CA THR A 26 22.594 -14.656 -6.902 1.00 0.00 C ATOM 394 C THR A 26 21.258 -14.196 -6.374 1.00 0.00 C ATOM 395 O THR A 26 20.368 -13.819 -7.149 1.00 0.00 O ATOM 396 CB THR A 26 23.369 -13.441 -7.425 1.00 0.00 C ATOM 397 OG1 THR A 26 24.654 -13.865 -7.900 1.00 0.00 O ATOM 398 CG2 THR A 26 23.561 -12.401 -6.317 1.00 0.00 C ATOM 0 H THR A 26 22.035 -15.218 -8.806 1.00 0.00 H new ATOM 0 HA THR A 26 23.198 -15.120 -6.123 1.00 0.00 H new ATOM 0 HB THR A 26 22.798 -12.988 -8.236 1.00 0.00 H new ATOM 0 HG1 THR A 26 25.332 -13.206 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 26 24.113 -11.548 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.587 -12.068 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 26 24.119 -12.846 -5.493 1.00 0.00 H new ATOM 406 N TYR A 27 21.108 -14.227 -5.081 1.00 0.00 N ATOM 407 CA TYR A 27 19.845 -13.897 -4.456 1.00 0.00 C ATOM 408 C TYR A 27 19.922 -12.483 -3.918 1.00 0.00 C ATOM 409 O TYR A 27 20.866 -12.110 -3.227 1.00 0.00 O ATOM 410 CB TYR A 27 19.624 -14.898 -3.306 1.00 0.00 C ATOM 411 CG TYR A 27 19.304 -16.319 -3.741 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.269 -17.119 -4.322 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.052 -16.873 -3.508 1.00 0.00 C ATOM 414 CE1 TYR A 27 20.006 -18.417 -4.690 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.776 -18.179 -3.869 1.00 0.00 C ATOM 416 CZ TYR A 27 18.760 -18.947 -4.470 1.00 0.00 C ATOM 417 OH TYR A 27 18.486 -20.239 -4.839 1.00 0.00 O ATOM 0 H TYR A 27 21.849 -14.479 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 27 19.019 -13.956 -5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.520 -14.918 -2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.810 -14.534 -2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.256 -16.714 -4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.284 -16.276 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.777 -19.017 -5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.798 -18.598 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 27 17.558 -20.455 -4.610 1.00 0.00 H new ATOM 427 N LEU A 28 18.919 -11.712 -4.243 1.00 0.00 N ATOM 428 CA LEU A 28 18.820 -10.320 -3.838 1.00 0.00 C ATOM 429 C LEU A 28 17.867 -10.129 -2.697 1.00 0.00 C ATOM 430 O LEU A 28 16.760 -10.634 -2.703 1.00 0.00 O ATOM 431 CB LEU A 28 18.480 -9.392 -5.001 1.00 0.00 C ATOM 432 CG LEU A 28 19.677 -8.937 -5.850 1.00 0.00 C ATOM 433 CD1 LEU A 28 20.395 -10.107 -6.449 1.00 0.00 C ATOM 434 CD2 LEU A 28 19.218 -7.962 -6.924 1.00 0.00 C ATOM 0 H LEU A 28 18.130 -12.031 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 28 19.813 -10.040 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.766 -9.898 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.980 -8.508 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 28 20.385 -8.423 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.237 -9.752 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.761 -10.756 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.710 -10.666 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 28 20.075 -7.647 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.487 -8.449 -7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.762 -7.091 -6.454 1.00 0.00 H new ATOM 446 N ASN A 29 18.291 -9.320 -1.756 1.00 0.00 N ATOM 447 CA ASN A 29 17.572 -9.176 -0.513 1.00 0.00 C ATOM 448 C ASN A 29 16.535 -8.054 -0.596 1.00 0.00 C ATOM 449 O ASN A 29 16.854 -6.869 -0.544 1.00 0.00 O ATOM 450 CB ASN A 29 18.565 -8.846 0.607 1.00 0.00 C ATOM 451 CG ASN A 29 18.022 -9.117 1.995 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.255 -10.047 2.209 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.434 -8.311 2.964 1.00 0.00 N ATOM 0 H ASN A 29 19.133 -8.749 -1.828 1.00 0.00 H new ATOM 0 HA ASN A 29 17.055 -10.113 -0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.473 -9.430 0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.847 -7.796 0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.111 -8.457 3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.073 -7.545 2.753 1.00 0.00 H new ATOM 460 N TYR A 30 15.308 -8.468 -0.714 1.00 0.00 N ATOM 461 CA TYR A 30 14.169 -7.603 -0.694 1.00 0.00 C ATOM 462 C TYR A 30 13.386 -7.755 0.589 1.00 0.00 C ATOM 463 O TYR A 30 13.080 -8.878 1.016 1.00 0.00 O ATOM 464 CB TYR A 30 13.239 -7.912 -1.882 1.00 0.00 C ATOM 465 CG TYR A 30 13.648 -7.335 -3.228 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.903 -7.557 -3.765 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.727 -6.573 -3.963 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.239 -7.028 -5.000 1.00 0.00 C ATOM 469 CE2 TYR A 30 13.061 -6.042 -5.195 1.00 0.00 C ATOM 470 CZ TYR A 30 14.308 -6.274 -5.707 1.00 0.00 C ATOM 471 OH TYR A 30 14.656 -5.749 -6.921 1.00 0.00 O ATOM 0 H TYR A 30 15.066 -9.452 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 30 14.537 -6.580 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.162 -8.995 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.242 -7.543 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.625 -8.146 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.741 -6.398 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.222 -7.200 -5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.345 -5.451 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 30 13.898 -5.249 -7.290 1.00 0.00 H new ATOM 481 N GLU A 31 13.071 -6.628 1.181 1.00 0.00 N ATOM 482 CA GLU A 31 12.200 -6.572 2.330 1.00 0.00 C ATOM 483 C GLU A 31 11.022 -5.701 1.970 1.00 0.00 C ATOM 484 O GLU A 31 11.206 -4.589 1.499 1.00 0.00 O ATOM 485 CB GLU A 31 12.934 -6.017 3.590 1.00 0.00 C ATOM 486 CG GLU A 31 14.018 -6.934 4.149 1.00 0.00 C ATOM 487 CD GLU A 31 14.734 -6.329 5.357 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.395 -5.178 5.756 1.00 0.00 O ATOM 489 OE2 GLU A 31 15.613 -7.004 5.938 1.00 0.00 O ATOM 0 H GLU A 31 13.415 -5.717 0.876 1.00 0.00 H new ATOM 0 HA GLU A 31 11.870 -7.579 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.383 -5.056 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.197 -5.830 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.571 -7.886 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.748 -7.146 3.368 1.00 0.00 H new ATOM 496 N CYS A 32 9.836 -6.188 2.176 1.00 0.00 N ATOM 497 CA CYS A 32 8.645 -5.429 1.851 1.00 0.00 C ATOM 498 C CYS A 32 8.206 -4.571 3.005 1.00 0.00 C ATOM 499 O CYS A 32 8.493 -4.884 4.156 1.00 0.00 O ATOM 500 CB CYS A 32 7.485 -6.326 1.411 1.00 0.00 C ATOM 501 SG CYS A 32 7.691 -7.104 -0.230 1.00 0.00 S ATOM 0 H CYS A 32 9.657 -7.112 2.569 1.00 0.00 H new ATOM 0 HA CYS A 32 8.916 -4.787 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.350 -7.111 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.570 -5.734 1.404 1.00 0.00 H new ATOM 506 N ARG A 33 7.592 -3.442 2.684 1.00 0.00 N ATOM 507 CA ARG A 33 7.037 -2.554 3.694 1.00 0.00 C ATOM 508 C ARG A 33 6.087 -3.347 4.593 1.00 0.00 C ATOM 509 O ARG A 33 5.427 -4.269 4.138 1.00 0.00 O ATOM 510 CB ARG A 33 6.275 -1.429 3.002 1.00 0.00 C ATOM 511 CG ARG A 33 7.118 -0.505 2.134 1.00 0.00 C ATOM 512 CD ARG A 33 7.949 0.431 2.976 1.00 0.00 C ATOM 513 NE ARG A 33 7.118 1.192 3.925 1.00 0.00 N ATOM 514 CZ ARG A 33 7.547 1.664 5.090 1.00 0.00 C ATOM 515 NH1 ARG A 33 8.820 1.500 5.439 1.00 0.00 N ATOM 516 NH2 ARG A 33 6.723 2.310 5.894 1.00 0.00 N ATOM 0 H ARG A 33 7.465 -3.118 1.725 1.00 0.00 H new ATOM 0 HA ARG A 33 7.838 -2.131 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.495 -1.870 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.776 -0.829 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.771 -1.099 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.468 0.073 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.698 -0.140 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.488 1.122 2.328 1.00 0.00 H new ATOM 0 HE ARG A 33 6.146 1.369 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.462 1.014 4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.154 1.861 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.750 2.449 5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.059 2.670 6.787 1.00 0.00 H new ATOM 530 N PRO A 34 6.011 -3.005 5.880 1.00 0.00 N ATOM 531 CA PRO A 34 5.131 -3.691 6.802 1.00 0.00 C ATOM 532 C PRO A 34 3.678 -3.553 6.396 1.00 0.00 C ATOM 533 O PRO A 34 3.263 -2.516 5.873 1.00 0.00 O ATOM 534 CB PRO A 34 5.347 -2.984 8.136 1.00 0.00 C ATOM 535 CG PRO A 34 6.633 -2.222 7.994 1.00 0.00 C ATOM 536 CD PRO A 34 6.809 -1.946 6.531 1.00 0.00 C ATOM 0 HA PRO A 34 5.348 -4.759 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.518 -2.313 8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.407 -3.702 8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.597 -1.292 8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.471 -2.801 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.450 -0.952 6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.857 -1.996 6.237 1.00 0.00 H new ATOM 544 N GLY A 35 2.906 -4.583 6.659 1.00 0.00 N ATOM 545 CA GLY A 35 1.498 -4.549 6.313 1.00 0.00 C ATOM 546 C GLY A 35 1.189 -4.973 4.874 1.00 0.00 C ATOM 547 O GLY A 35 0.093 -4.724 4.373 1.00 0.00 O ATOM 0 H GLY A 35 3.221 -5.445 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.953 -5.201 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.122 -3.538 6.469 1.00 0.00 H new ATOM 551 N TYR A 36 2.134 -5.649 4.230 1.00 0.00 N ATOM 552 CA TYR A 36 1.878 -6.202 2.898 1.00 0.00 C ATOM 553 C TYR A 36 1.663 -7.703 2.936 1.00 0.00 C ATOM 554 O TYR A 36 2.400 -8.456 3.584 1.00 0.00 O ATOM 555 CB TYR A 36 2.958 -5.802 1.905 1.00 0.00 C ATOM 556 CG TYR A 36 2.876 -4.359 1.437 1.00 0.00 C ATOM 557 CD1 TYR A 36 3.367 -3.292 2.181 1.00 0.00 C ATOM 558 CD2 TYR A 36 2.295 -4.078 0.218 1.00 0.00 C ATOM 559 CE1 TYR A 36 3.260 -1.985 1.701 1.00 0.00 C ATOM 560 CE2 TYR A 36 2.190 -2.798 -0.259 1.00 0.00 C ATOM 561 CZ TYR A 36 2.669 -1.756 0.486 1.00 0.00 C ATOM 562 OH TYR A 36 2.532 -0.475 0.003 1.00 0.00 O ATOM 0 H TYR A 36 3.069 -5.827 4.597 1.00 0.00 H new ATOM 0 HA TYR A 36 0.945 -5.764 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.934 -5.968 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.896 -6.457 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.835 -3.475 3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.911 -4.892 -0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.641 -1.159 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.731 -2.613 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 36 2.092 -0.501 -0.872 1.00 0.00 H new ATOM 572 N SER A 37 0.608 -8.120 2.257 1.00 0.00 N ATOM 573 CA SER A 37 0.100 -9.504 2.277 1.00 0.00 C ATOM 574 C SER A 37 1.098 -10.521 1.760 1.00 0.00 C ATOM 575 O SER A 37 1.222 -11.626 2.302 1.00 0.00 O ATOM 576 CB SER A 37 -1.206 -9.602 1.486 1.00 0.00 C ATOM 577 OG SER A 37 -2.155 -8.694 2.006 1.00 0.00 O ATOM 0 H SER A 37 0.060 -7.501 1.659 1.00 0.00 H new ATOM 0 HA SER A 37 -0.079 -9.749 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.021 -9.385 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.597 -10.618 1.537 1.00 0.00 H new ATOM 0 HG SER A 37 -2.987 -8.762 1.493 1.00 0.00 H new ATOM 583 N GLY A 38 1.772 -10.169 0.682 1.00 0.00 N ATOM 584 CA GLY A 38 2.733 -11.074 0.116 1.00 0.00 C ATOM 585 C GLY A 38 3.984 -11.176 0.950 1.00 0.00 C ATOM 586 O GLY A 38 4.427 -10.181 1.517 1.00 0.00 O ATOM 0 H GLY A 38 1.670 -9.279 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.284 -12.062 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.995 -10.741 -0.888 1.00 0.00 H new ATOM 590 N ARG A 39 4.533 -12.360 1.038 1.00 0.00 N ATOM 591 CA ARG A 39 5.780 -12.572 1.739 1.00 0.00 C ATOM 592 C ARG A 39 6.908 -12.285 0.783 1.00 0.00 C ATOM 593 O ARG A 39 6.929 -12.819 -0.314 1.00 0.00 O ATOM 594 CB ARG A 39 5.874 -14.013 2.243 1.00 0.00 C ATOM 595 CG ARG A 39 5.135 -14.284 3.561 1.00 0.00 C ATOM 596 CD ARG A 39 5.976 -13.881 4.747 1.00 0.00 C ATOM 597 NE ARG A 39 7.261 -14.572 4.763 1.00 0.00 N ATOM 598 CZ ARG A 39 8.319 -14.178 5.480 1.00 0.00 C ATOM 599 NH1 ARG A 39 8.205 -13.169 6.331 1.00 0.00 N ATOM 600 NH2 ARG A 39 9.478 -14.818 5.376 1.00 0.00 N ATOM 0 H ARG A 39 4.133 -13.204 0.628 1.00 0.00 H new ATOM 0 HA ARG A 39 5.837 -11.910 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.476 -14.678 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.925 -14.270 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.194 -13.733 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.886 -15.343 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.143 -12.804 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.434 -14.100 5.667 1.00 0.00 H new ATOM 0 HE ARG A 39 7.359 -15.410 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.310 -12.692 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.012 -12.869 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.565 -15.616 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.281 -14.512 5.926 1.00 0.00 H new ATOM 614 N PRO A 40 7.839 -11.405 1.157 1.00 0.00 N ATOM 615 CA PRO A 40 8.954 -11.050 0.292 1.00 0.00 C ATOM 616 C PRO A 40 9.845 -12.250 0.004 1.00 0.00 C ATOM 617 O PRO A 40 10.094 -13.092 0.876 1.00 0.00 O ATOM 618 CB PRO A 40 9.704 -9.983 1.097 1.00 0.00 C ATOM 619 CG PRO A 40 9.340 -10.264 2.508 1.00 0.00 C ATOM 620 CD PRO A 40 7.913 -10.728 2.457 1.00 0.00 C ATOM 0 HA PRO A 40 8.630 -10.696 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.781 -10.052 0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.404 -8.978 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.988 -11.028 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.443 -9.373 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.678 -11.404 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.214 -9.894 2.519 1.00 0.00 H new ATOM 628 N PHE A 41 10.325 -12.315 -1.215 1.00 0.00 N ATOM 629 CA PHE A 41 11.256 -13.332 -1.624 1.00 0.00 C ATOM 630 C PHE A 41 12.394 -12.702 -2.360 1.00 0.00 C ATOM 631 O PHE A 41 12.224 -11.676 -3.006 1.00 0.00 O ATOM 632 CB PHE A 41 10.600 -14.401 -2.494 1.00 0.00 C ATOM 633 CG PHE A 41 9.543 -15.217 -1.780 1.00 0.00 C ATOM 634 CD1 PHE A 41 9.913 -16.245 -0.933 1.00 0.00 C ATOM 635 CD2 PHE A 41 8.204 -14.944 -1.966 1.00 0.00 C ATOM 636 CE1 PHE A 41 8.947 -16.996 -0.286 1.00 0.00 C ATOM 637 CE2 PHE A 41 7.240 -15.691 -1.322 1.00 0.00 C ATOM 638 CZ PHE A 41 7.611 -16.719 -0.478 1.00 0.00 C ATOM 0 H PHE A 41 10.077 -11.657 -1.954 1.00 0.00 H new ATOM 0 HA PHE A 41 11.621 -13.827 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.148 -13.921 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.372 -15.074 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.959 -16.463 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.908 -14.138 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.241 -17.801 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.194 -15.472 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.857 -17.303 0.029 1.00 0.00 H new ATOM 648 N SER A 42 13.556 -13.312 -2.275 1.00 0.00 N ATOM 649 CA SER A 42 14.674 -12.828 -2.979 1.00 0.00 C ATOM 650 C SER A 42 14.500 -13.073 -4.465 1.00 0.00 C ATOM 651 O SER A 42 13.914 -14.101 -4.865 1.00 0.00 O ATOM 652 CB SER A 42 15.922 -13.520 -2.455 1.00 0.00 C ATOM 653 OG SER A 42 15.941 -13.487 -1.043 1.00 0.00 O ATOM 0 H SER A 42 13.730 -14.147 -1.716 1.00 0.00 H new ATOM 0 HA SER A 42 14.773 -11.753 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.947 -14.553 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.812 -13.029 -2.850 1.00 0.00 H new ATOM 0 HG SER A 42 16.748 -13.937 -0.716 1.00 0.00 H new ATOM 659 N ILE A 43 14.976 -12.173 -5.280 1.00 0.00 N ATOM 660 CA ILE A 43 14.886 -12.341 -6.714 1.00 0.00 C ATOM 661 C ILE A 43 16.213 -12.870 -7.223 1.00 0.00 C ATOM 662 O ILE A 43 17.265 -12.371 -6.863 1.00 0.00 O ATOM 663 CB ILE A 43 14.506 -11.026 -7.448 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.524 -9.888 -7.189 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.098 -10.595 -7.102 1.00 0.00 C ATOM 666 CD1 ILE A 43 15.285 -8.672 -8.047 1.00 0.00 C ATOM 0 H ILE A 43 15.432 -11.312 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 43 14.086 -13.050 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 43 14.542 -11.239 -8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.477 -9.599 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.531 -10.262 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.860 -9.672 -7.630 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.396 -11.374 -7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.022 -10.428 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.032 -7.912 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.361 -8.948 -9.099 1.00 0.00 H new ATOM 0 HD13 ILE A 43 14.290 -8.275 -7.847 1.00 0.00 H new ATOM 678 N ILE A 44 16.135 -13.950 -7.985 1.00 0.00 N ATOM 679 CA ILE A 44 17.303 -14.630 -8.524 1.00 0.00 C ATOM 680 C ILE A 44 17.182 -14.604 -10.059 1.00 0.00 C ATOM 681 O ILE A 44 16.106 -14.890 -10.588 1.00 0.00 O ATOM 682 CB ILE A 44 17.397 -16.100 -8.008 1.00 0.00 C ATOM 683 CG1 ILE A 44 17.002 -16.160 -6.552 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.846 -16.571 -8.118 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.638 -16.756 -6.336 1.00 0.00 C ATOM 0 H ILE A 44 15.250 -14.384 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 44 18.211 -14.124 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 44 16.734 -16.728 -8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.740 -16.747 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.023 -15.154 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.923 -17.598 -7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.166 -16.525 -9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.485 -15.927 -7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.412 -16.771 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.892 -16.155 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.620 -17.774 -6.725 1.00 0.00 H new ATOM 697 N CYS A 45 18.250 -14.160 -10.733 1.00 0.00 N ATOM 698 CA CYS A 45 18.303 -13.984 -12.233 1.00 0.00 C ATOM 699 C CYS A 45 18.047 -15.306 -13.034 1.00 0.00 C ATOM 700 O CYS A 45 18.522 -15.485 -14.154 1.00 0.00 O ATOM 701 CB CYS A 45 19.685 -13.414 -12.574 1.00 0.00 C ATOM 702 SG CYS A 45 19.762 -12.238 -13.948 1.00 0.00 S ATOM 0 H CYS A 45 19.122 -13.904 -10.270 1.00 0.00 H new ATOM 0 HA CYS A 45 17.499 -13.311 -12.529 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.080 -12.924 -11.684 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.350 -14.247 -12.801 1.00 0.00 H new ATOM 707 N LEU A 46 17.275 -16.147 -12.430 1.00 0.00 N ATOM 708 CA LEU A 46 16.966 -17.495 -12.887 1.00 0.00 C ATOM 709 C LEU A 46 16.204 -17.510 -14.212 1.00 0.00 C ATOM 710 O LEU A 46 16.465 -18.319 -15.098 1.00 0.00 O ATOM 711 CB LEU A 46 16.034 -18.113 -11.873 1.00 0.00 C ATOM 712 CG LEU A 46 16.617 -18.378 -10.509 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.501 -18.800 -9.556 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.704 -19.413 -10.546 1.00 0.00 C ATOM 0 H LEU A 46 16.808 -15.916 -11.553 1.00 0.00 H new ATOM 0 HA LEU A 46 17.911 -18.024 -13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.172 -17.457 -11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.665 -19.056 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 46 17.076 -17.456 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.920 -18.993 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.760 -18.003 -9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.025 -19.706 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.092 -19.569 -9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.301 -20.351 -10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.509 -19.072 -11.197 1.00 0.00 H new ATOM 726 N LYS A 47 15.239 -16.590 -14.317 1.00 0.00 N ATOM 727 CA LYS A 47 14.315 -16.614 -15.423 1.00 0.00 C ATOM 728 C LYS A 47 14.787 -15.786 -16.556 1.00 0.00 C ATOM 729 O LYS A 47 14.778 -14.553 -16.483 1.00 0.00 O ATOM 730 CB LYS A 47 12.966 -16.095 -14.939 1.00 0.00 C ATOM 731 CG LYS A 47 11.886 -16.025 -15.992 1.00 0.00 C ATOM 732 CD LYS A 47 11.494 -17.400 -16.491 1.00 0.00 C ATOM 733 CE LYS A 47 11.229 -18.326 -15.332 1.00 0.00 C ATOM 734 NZ LYS A 47 10.592 -19.588 -15.757 1.00 0.00 N ATOM 0 H LYS A 47 15.090 -15.833 -13.650 1.00 0.00 H new ATOM 0 HA LYS A 47 14.231 -17.640 -15.781 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.619 -16.735 -14.128 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.108 -15.099 -14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.009 -15.525 -15.580 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.234 -15.420 -16.830 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.604 -17.326 -17.116 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.289 -17.807 -17.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.168 -18.548 -14.825 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.587 -17.824 -14.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.430 -20.192 -14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.683 -19.380 -16.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.214 -20.082 -16.428 1.00 0.00 H new ATOM 748 N ASN A 48 15.192 -16.468 -17.612 1.00 0.00 N ATOM 749 CA ASN A 48 15.638 -15.841 -18.862 1.00 0.00 C ATOM 750 C ASN A 48 16.755 -14.851 -18.593 1.00 0.00 C ATOM 751 O ASN A 48 16.855 -13.827 -19.260 1.00 0.00 O ATOM 752 CB ASN A 48 14.485 -15.142 -19.562 1.00 0.00 C ATOM 753 CG ASN A 48 13.479 -16.112 -20.147 1.00 0.00 C ATOM 754 OD1 ASN A 48 13.793 -17.284 -20.375 1.00 0.00 O ATOM 755 ND2 ASN A 48 12.275 -15.642 -20.396 1.00 0.00 N ATOM 0 H ASN A 48 15.224 -17.487 -17.635 1.00 0.00 H new ATOM 0 HA ASN A 48 16.013 -16.629 -19.515 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.980 -14.485 -18.853 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.879 -14.510 -20.358 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.561 -16.253 -20.792 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.056 -14.667 -20.193 1.00 0.00 H new ATOM 762 N SER A 49 17.612 -15.177 -17.610 1.00 0.00 N ATOM 763 CA SER A 49 18.695 -14.297 -17.185 1.00 0.00 C ATOM 764 C SER A 49 18.148 -12.944 -16.731 1.00 0.00 C ATOM 765 O SER A 49 18.811 -11.905 -16.871 1.00 0.00 O ATOM 766 CB SER A 49 19.830 -14.128 -18.252 1.00 0.00 C ATOM 767 OG SER A 49 19.434 -14.494 -19.558 1.00 0.00 O ATOM 0 H SER A 49 17.567 -16.056 -17.095 1.00 0.00 H new ATOM 0 HA SER A 49 19.168 -14.788 -16.335 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.160 -13.089 -18.259 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.688 -14.733 -17.958 1.00 0.00 H new ATOM 0 HG SER A 49 18.635 -13.987 -19.812 1.00 0.00 H new ATOM 773 N VAL A 50 16.921 -12.951 -16.226 1.00 0.00 N ATOM 774 CA VAL A 50 16.343 -11.750 -15.720 1.00 0.00 C ATOM 775 C VAL A 50 16.101 -11.949 -14.217 1.00 0.00 C ATOM 776 O VAL A 50 17.021 -11.812 -13.443 1.00 0.00 O ATOM 777 CB VAL A 50 14.999 -11.361 -16.421 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.504 -10.026 -15.927 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.176 -11.329 -17.940 1.00 0.00 C ATOM 0 H VAL A 50 16.325 -13.776 -16.164 1.00 0.00 H new ATOM 0 HA VAL A 50 17.034 -10.931 -15.919 1.00 0.00 H new ATOM 0 HB VAL A 50 14.256 -12.118 -16.171 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.569 -9.777 -16.428 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.337 -10.075 -14.851 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.248 -9.259 -16.144 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.231 -11.057 -18.411 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.937 -10.594 -18.202 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.486 -12.313 -18.291 1.00 0.00 H new ATOM 789 N TRP A 51 14.890 -12.294 -13.820 1.00 0.00 N ATOM 790 CA TRP A 51 14.604 -12.540 -12.417 1.00 0.00 C ATOM 791 C TRP A 51 13.509 -13.561 -12.285 1.00 0.00 C ATOM 792 O TRP A 51 12.702 -13.716 -13.206 1.00 0.00 O ATOM 793 CB TRP A 51 14.248 -11.212 -11.682 1.00 0.00 C ATOM 794 CG TRP A 51 15.409 -10.242 -11.653 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.541 -9.117 -12.406 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.617 -10.345 -10.894 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.735 -8.509 -12.147 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.414 -9.240 -11.223 1.00 0.00 C ATOM 799 CE3 TRP A 51 17.104 -11.258 -9.950 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.675 -9.028 -10.648 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.354 -11.044 -9.384 1.00 0.00 C ATOM 802 CH2 TRP A 51 19.126 -9.945 -9.727 1.00 0.00 C ATOM 0 H TRP A 51 14.092 -12.410 -14.445 1.00 0.00 H new ATOM 0 HA TRP A 51 15.498 -12.942 -11.939 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.398 -10.743 -12.176 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.939 -11.436 -10.661 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.805 -8.756 -13.109 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.065 -7.645 -12.577 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.515 -12.117 -9.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.274 -8.171 -10.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.733 -11.750 -8.660 1.00 0.00 H new ATOM 0 HH2 TRP A 51 20.093 -9.807 -9.266 1.00 0.00 H new ATOM 813 N THR A 52 13.452 -14.234 -11.149 1.00 0.00 N ATOM 814 CA THR A 52 12.453 -15.264 -10.894 1.00 0.00 C ATOM 815 C THR A 52 11.051 -14.630 -10.940 1.00 0.00 C ATOM 816 O THR A 52 10.127 -15.179 -11.540 1.00 0.00 O ATOM 817 CB THR A 52 12.715 -15.975 -9.539 1.00 0.00 C ATOM 818 OG1 THR A 52 11.744 -17.008 -9.307 1.00 0.00 O ATOM 819 CG2 THR A 52 12.722 -15.006 -8.377 1.00 0.00 C ATOM 0 H THR A 52 14.098 -14.083 -10.374 1.00 0.00 H new ATOM 0 HA THR A 52 12.518 -16.029 -11.668 1.00 0.00 H new ATOM 0 HB THR A 52 13.707 -16.423 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.929 -17.444 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.909 -15.550 -7.451 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.506 -14.264 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.756 -14.505 -8.315 1.00 0.00 H new ATOM 827 N GLY A 53 10.939 -13.460 -10.323 1.00 0.00 N ATOM 828 CA GLY A 53 9.707 -12.729 -10.325 1.00 0.00 C ATOM 829 C GLY A 53 9.814 -11.496 -9.487 1.00 0.00 C ATOM 830 O GLY A 53 9.702 -11.554 -8.273 1.00 0.00 O ATOM 0 H GLY A 53 11.699 -13.007 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.443 -12.457 -11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.904 -13.362 -9.947 1.00 0.00 H new ATOM 834 N ALA A 54 10.092 -10.383 -10.124 1.00 0.00 N ATOM 835 CA ALA A 54 10.188 -9.105 -9.426 1.00 0.00 C ATOM 836 C ALA A 54 8.982 -8.201 -9.738 1.00 0.00 C ATOM 837 O ALA A 54 9.154 -7.066 -10.128 1.00 0.00 O ATOM 838 CB ALA A 54 11.477 -8.409 -9.812 1.00 0.00 C ATOM 0 H ALA A 54 10.258 -10.328 -11.129 1.00 0.00 H new ATOM 0 HA ALA A 54 10.186 -9.301 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.546 -7.455 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.325 -9.036 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.488 -8.235 -10.888 1.00 0.00 H new ATOM 844 N LYS A 55 7.790 -8.714 -9.565 1.00 0.00 N ATOM 845 CA LYS A 55 6.584 -7.946 -9.817 1.00 0.00 C ATOM 846 C LYS A 55 5.842 -7.654 -8.513 1.00 0.00 C ATOM 847 O LYS A 55 6.474 -7.399 -7.488 1.00 0.00 O ATOM 848 CB LYS A 55 5.665 -8.656 -10.821 1.00 0.00 C ATOM 849 CG LYS A 55 5.083 -9.950 -10.309 1.00 0.00 C ATOM 850 CD LYS A 55 4.214 -10.615 -11.348 1.00 0.00 C ATOM 851 CE LYS A 55 3.645 -11.888 -10.809 1.00 0.00 C ATOM 852 NZ LYS A 55 2.772 -12.579 -11.778 1.00 0.00 N ATOM 0 H LYS A 55 7.622 -9.669 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 55 6.885 -6.996 -10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.850 -7.984 -11.091 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.227 -8.858 -11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.890 -10.625 -10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.495 -9.756 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.407 -9.943 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.799 -10.821 -12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.460 -12.553 -10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.077 -11.672 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.405 -13.454 -11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.977 -11.959 -12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.317 -12.812 -12.632 1.00 0.00 H new ATOM 866 N ASP A 56 4.520 -7.689 -8.578 1.00 0.00 N ATOM 867 CA ASP A 56 3.610 -7.485 -7.426 1.00 0.00 C ATOM 868 C ASP A 56 3.786 -8.615 -6.419 1.00 0.00 C ATOM 869 O ASP A 56 2.885 -9.425 -6.203 1.00 0.00 O ATOM 870 CB ASP A 56 2.163 -7.522 -7.949 1.00 0.00 C ATOM 871 CG ASP A 56 1.109 -7.212 -6.886 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.020 -6.050 -6.460 1.00 0.00 O ATOM 873 OD2 ASP A 56 0.365 -8.139 -6.490 1.00 0.00 O ATOM 0 H ASP A 56 4.022 -7.864 -9.451 1.00 0.00 H new ATOM 0 HA ASP A 56 3.832 -6.532 -6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.064 -6.805 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.964 -8.509 -8.367 1.00 0.00 H new ATOM 878 N ARG A 57 4.999 -8.735 -5.905 1.00 0.00 N ATOM 879 CA ARG A 57 5.305 -9.776 -4.941 1.00 0.00 C ATOM 880 C ARG A 57 4.523 -9.509 -3.648 1.00 0.00 C ATOM 881 O ARG A 57 4.001 -10.431 -3.016 1.00 0.00 O ATOM 882 CB ARG A 57 6.791 -9.836 -4.619 1.00 0.00 C ATOM 883 CG ARG A 57 7.652 -10.107 -5.834 1.00 0.00 C ATOM 884 CD ARG A 57 7.244 -11.354 -6.596 1.00 0.00 C ATOM 885 NE ARG A 57 7.256 -12.612 -5.844 1.00 0.00 N ATOM 886 CZ ARG A 57 8.312 -13.394 -5.675 1.00 0.00 C ATOM 887 NH1 ARG A 57 9.531 -12.964 -5.990 1.00 0.00 N ATOM 888 NH2 ARG A 57 8.152 -14.607 -5.170 1.00 0.00 N ATOM 0 H ARG A 57 5.784 -8.127 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 57 5.018 -10.732 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.097 -8.892 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.965 -10.615 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.603 -9.249 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.691 -10.206 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.239 -11.201 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.908 -11.463 -7.454 1.00 0.00 H new ATOM 0 HE ARG A 57 6.380 -12.910 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.659 -12.024 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.337 -13.574 -5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.220 -14.934 -4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.960 -15.215 -5.037 1.00 0.00 H new ATOM 902 N CYS A 58 4.453 -8.230 -3.287 1.00 0.00 N ATOM 903 CA CYS A 58 3.781 -7.787 -2.085 1.00 0.00 C ATOM 904 C CYS A 58 2.625 -6.943 -2.419 1.00 0.00 C ATOM 905 O CYS A 58 2.645 -6.156 -3.377 1.00 0.00 O ATOM 906 CB CYS A 58 4.753 -7.088 -1.137 1.00 0.00 C ATOM 907 SG CYS A 58 6.010 -8.230 -0.427 1.00 0.00 S ATOM 0 H CYS A 58 4.867 -7.472 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 58 3.402 -8.662 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.260 -6.285 -1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.191 -6.625 -0.326 1.00 0.00 H new ATOM 912 N ARG A 59 1.623 -7.062 -1.611 1.00 0.00 N ATOM 913 CA ARG A 59 0.314 -6.591 -1.954 1.00 0.00 C ATOM 914 C ARG A 59 -0.302 -5.735 -0.835 1.00 0.00 C ATOM 915 O ARG A 59 -0.164 -6.064 0.358 1.00 0.00 O ATOM 916 CB ARG A 59 -0.454 -7.887 -2.139 1.00 0.00 C ATOM 917 CG ARG A 59 0.093 -8.698 -3.307 1.00 0.00 C ATOM 918 CD ARG A 59 -0.572 -10.031 -3.430 1.00 0.00 C ATOM 919 NE ARG A 59 -0.181 -10.849 -2.286 1.00 0.00 N ATOM 920 CZ ARG A 59 -0.575 -12.097 -2.040 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.326 -12.736 -2.918 1.00 0.00 N ATOM 922 NH2 ARG A 59 -0.192 -12.700 -0.933 1.00 0.00 N ATOM 0 H ARG A 59 1.686 -7.491 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 59 0.307 -5.942 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.397 -8.479 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.508 -7.666 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.045 -8.138 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.166 -8.840 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.655 -9.913 -3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.279 -10.516 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 59 0.455 -10.424 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.604 -12.274 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.628 -13.692 -2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.405 -12.211 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.493 -13.656 -0.743 1.00 0.00 H new ATOM 936 N ARG A 60 -1.000 -4.701 -1.240 1.00 0.00 N ATOM 937 CA ARG A 60 -1.720 -3.805 -0.361 1.00 0.00 C ATOM 938 C ARG A 60 -3.196 -4.154 -0.392 1.00 0.00 C ATOM 939 O ARG A 60 -3.704 -4.586 -1.436 1.00 0.00 O ATOM 940 CB ARG A 60 -1.479 -2.360 -0.795 1.00 0.00 C ATOM 941 CG ARG A 60 -2.008 -2.054 -2.191 1.00 0.00 C ATOM 942 CD ARG A 60 -1.670 -0.637 -2.632 1.00 0.00 C ATOM 943 NE ARG A 60 -2.796 0.288 -2.635 1.00 0.00 N ATOM 944 CZ ARG A 60 -3.560 0.515 -3.719 1.00 0.00 C ATOM 945 NH1 ARG A 60 -3.467 -0.276 -4.804 1.00 0.00 N ATOM 946 NH2 ARG A 60 -4.424 1.516 -3.725 1.00 0.00 N ATOM 0 H ARG A 60 -1.086 -4.450 -2.225 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.363 -3.913 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.953 -1.689 -0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.409 -2.153 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.587 -2.765 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.089 -2.190 -2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.896 -0.242 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.247 -0.675 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.016 0.788 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.812 -1.058 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.052 -0.094 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.512 2.118 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.002 1.686 -4.548 1.00 0.00 H new ATOM 960 N LYS A 61 -3.890 -3.967 0.706 1.00 0.00 N ATOM 961 CA LYS A 61 -5.287 -4.374 0.775 1.00 0.00 C ATOM 962 C LYS A 61 -6.322 -3.351 0.489 1.00 0.00 C ATOM 963 O LYS A 61 -6.116 -2.151 0.604 1.00 0.00 O ATOM 964 CB LYS A 61 -5.684 -5.184 2.008 1.00 0.00 C ATOM 965 CG LYS A 61 -5.084 -6.583 2.050 1.00 0.00 C ATOM 966 CD LYS A 61 -5.530 -7.324 3.282 1.00 0.00 C ATOM 967 CE LYS A 61 -6.988 -7.794 3.100 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.432 -8.737 4.165 1.00 0.00 N ATOM 0 H LYS A 61 -3.523 -3.542 1.557 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.289 -5.041 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.376 -4.641 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.770 -5.265 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.382 -7.137 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.996 -6.517 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.880 -8.181 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.451 -6.678 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.646 -6.925 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.090 -8.278 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.441 -8.585 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.286 -9.716 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.879 -8.570 5.030 1.00 0.00 H new ATOM 982 N SER A 62 -7.443 -3.893 0.031 1.00 0.00 N ATOM 983 CA SER A 62 -8.625 -3.148 -0.257 1.00 0.00 C ATOM 984 C SER A 62 -9.178 -2.605 1.029 1.00 0.00 C ATOM 985 O SER A 62 -9.288 -3.337 2.024 1.00 0.00 O ATOM 986 CB SER A 62 -9.629 -4.120 -0.868 1.00 0.00 C ATOM 987 OG SER A 62 -10.872 -3.506 -1.161 1.00 0.00 O ATOM 0 H SER A 62 -7.540 -4.892 -0.150 1.00 0.00 H new ATOM 0 HA SER A 62 -8.420 -2.322 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.211 -4.541 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.791 -4.950 -0.180 1.00 0.00 H new ATOM 0 HG SER A 62 -11.480 -4.168 -1.552 1.00 0.00 H new ATOM 993 N CYS A 63 -9.598 -1.374 0.994 1.00 0.00 N ATOM 994 CA CYS A 63 -10.060 -0.650 2.173 1.00 0.00 C ATOM 995 C CYS A 63 -11.537 -0.853 2.372 1.00 0.00 C ATOM 996 O CYS A 63 -12.244 -1.270 1.452 1.00 0.00 O ATOM 997 CB CYS A 63 -9.672 0.813 2.037 1.00 0.00 C ATOM 998 SG CYS A 63 -7.867 1.071 2.174 1.00 0.00 S ATOM 0 H CYS A 63 -9.635 -0.823 0.136 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.579 -1.039 3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.018 1.190 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.179 1.394 2.808 1.00 0.00 H new ATOM 1003 N ARG A 64 -11.994 -0.678 3.588 1.00 0.00 N ATOM 1004 CA ARG A 64 -13.387 -0.871 3.863 1.00 0.00 C ATOM 1005 C ARG A 64 -13.812 0.229 4.785 1.00 0.00 C ATOM 1006 O ARG A 64 -12.982 0.739 5.542 1.00 0.00 O ATOM 1007 CB ARG A 64 -13.628 -2.226 4.597 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.256 -2.194 6.088 1.00 0.00 C ATOM 1009 CD ARG A 64 -11.800 -2.540 6.357 1.00 0.00 C ATOM 1010 NE ARG A 64 -11.504 -3.912 5.969 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.707 -4.981 6.748 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -12.068 -4.842 8.025 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.539 -6.187 6.245 1.00 0.00 N ATOM 0 H ARG A 64 -11.426 -0.406 4.390 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.945 -0.872 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.678 -2.501 4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.047 -3.005 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.465 -1.201 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.893 -2.894 6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.153 -1.856 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.581 -2.403 7.416 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.115 -4.069 5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.193 -3.910 8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.219 -5.667 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.257 -6.299 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.691 -7.009 6.829 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.032 0.613 4.719 1.00 0.00 N ATOM 1028 CA ASN A 65 -15.529 1.553 5.673 1.00 0.00 C ATOM 1029 C ASN A 65 -17.042 1.340 5.971 1.00 0.00 C ATOM 1030 O ASN A 65 -17.799 2.294 6.095 1.00 0.00 O ATOM 1031 CB ASN A 65 -15.158 3.007 5.254 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.139 3.683 4.321 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.299 4.901 4.361 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -16.781 2.930 3.471 1.00 0.00 N ATOM 0 H ASN A 65 -15.707 0.298 4.022 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.035 1.376 6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.062 3.613 6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.179 2.991 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.439 3.349 2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.625 1.922 3.464 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.498 0.028 6.145 1.00 0.00 N ATOM 1042 CA PRO A 66 -18.890 -0.297 6.478 1.00 0.00 C ATOM 1043 C PRO A 66 -19.410 0.435 7.737 1.00 0.00 C ATOM 1044 O PRO A 66 -20.622 0.549 7.886 1.00 0.00 O ATOM 1045 CB PRO A 66 -18.921 -1.824 6.707 1.00 0.00 C ATOM 1046 CG PRO A 66 -17.490 -2.233 6.807 1.00 0.00 C ATOM 1047 CD PRO A 66 -16.708 -1.224 6.020 1.00 0.00 C ATOM 0 HA PRO A 66 -19.543 0.027 5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.467 -2.075 7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.420 -2.336 5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.163 -2.253 7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.344 -3.236 6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.701 -1.101 6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.603 -1.526 4.978 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.508 0.911 8.683 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.965 1.695 9.803 1.00 0.00 C ATOM 1057 C PRO A 67 -19.837 2.844 9.302 1.00 0.00 C ATOM 1058 O PRO A 67 -20.898 3.100 9.877 1.00 0.00 O ATOM 1059 CB PRO A 67 -17.663 2.383 10.245 1.00 0.00 C ATOM 1060 CG PRO A 67 -16.522 1.578 9.685 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.120 0.460 8.913 1.00 0.00 C ATOM 0 HA PRO A 67 -19.502 1.101 10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.626 3.409 9.878 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.603 2.431 11.332 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.892 2.195 9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.888 1.198 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.591 0.291 7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.088 -0.476 9.470 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.401 3.457 8.181 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.112 4.548 7.509 1.00 0.00 C ATOM 1071 C ASP A 68 -20.440 5.737 8.440 1.00 0.00 C ATOM 1072 O ASP A 68 -20.554 5.604 9.649 1.00 0.00 O ATOM 1073 CB ASP A 68 -21.382 3.955 6.768 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.387 4.937 6.162 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -22.056 5.588 5.141 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.523 4.988 6.650 1.00 0.00 O ATOM 0 H ASP A 68 -18.531 3.198 7.716 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.449 4.986 6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -21.028 3.304 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.918 3.325 7.478 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.505 6.939 7.885 1.00 0.00 N ATOM 1082 CA PRO A 69 -20.939 8.125 8.625 1.00 0.00 C ATOM 1083 C PRO A 69 -22.389 7.950 9.043 1.00 0.00 C ATOM 1084 O PRO A 69 -23.120 7.228 8.394 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.776 9.249 7.597 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.874 8.558 6.303 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.146 7.281 6.505 1.00 0.00 C ATOM 0 HA PRO A 69 -20.379 8.320 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.552 10.006 7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.818 9.757 7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.913 8.382 6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.426 9.148 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -20.464 6.514 5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.070 7.401 6.381 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.798 8.585 10.105 1.00 0.00 N ATOM 1096 CA VAL A 70 -24.085 8.298 10.691 1.00 0.00 C ATOM 1097 C VAL A 70 -25.227 8.584 9.709 1.00 0.00 C ATOM 1098 O VAL A 70 -26.145 7.762 9.597 1.00 0.00 O ATOM 1099 CB VAL A 70 -24.308 9.098 11.992 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -25.733 8.942 12.486 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -23.311 8.623 13.070 1.00 0.00 C ATOM 0 H VAL A 70 -22.261 9.306 10.586 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.088 7.235 10.931 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.138 10.155 11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -25.865 9.515 13.404 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -26.424 9.309 11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.937 7.889 12.683 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.470 9.189 13.988 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -23.466 7.562 13.267 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.292 8.782 12.718 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.204 9.700 9.022 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.226 9.941 7.991 1.00 0.00 C ATOM 1113 C ASN A 71 -26.083 8.905 6.876 1.00 0.00 C ATOM 1114 O ASN A 71 -27.072 8.408 6.340 1.00 0.00 O ATOM 1115 CB ASN A 71 -26.150 11.335 7.371 1.00 0.00 C ATOM 1116 CG ASN A 71 -27.488 11.731 6.753 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -28.374 12.233 7.444 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -27.662 11.484 5.470 1.00 0.00 N ATOM 0 H ASN A 71 -24.518 10.445 9.140 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.191 9.859 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.868 12.061 8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.372 11.356 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.551 11.710 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -26.908 11.067 4.924 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.825 8.592 6.510 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.550 7.700 5.377 1.00 0.00 C ATOM 1127 C GLY A 72 -23.958 8.464 4.217 1.00 0.00 C ATOM 1128 O GLY A 72 -24.241 8.193 3.039 1.00 0.00 O ATOM 0 H GLY A 72 -23.991 8.943 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.862 6.913 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.472 7.211 5.062 1.00 0.00 H new ATOM 1132 N MET A 73 -23.138 9.446 4.556 1.00 0.00 N ATOM 1133 CA MET A 73 -22.573 10.365 3.585 1.00 0.00 C ATOM 1134 C MET A 73 -21.021 10.364 3.610 1.00 0.00 C ATOM 1135 O MET A 73 -20.416 11.157 4.300 1.00 0.00 O ATOM 1136 CB MET A 73 -23.064 11.729 3.976 1.00 0.00 C ATOM 1137 CG MET A 73 -24.552 11.928 3.763 1.00 0.00 C ATOM 1138 SD MET A 73 -25.128 13.499 4.417 1.00 0.00 S ATOM 1139 CE MET A 73 -24.258 14.637 3.382 1.00 0.00 C ATOM 0 H MET A 73 -22.845 9.627 5.516 1.00 0.00 H new ATOM 0 HA MET A 73 -22.875 10.073 2.579 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.831 11.902 5.027 1.00 0.00 H new ATOM 0 HB3 MET A 73 -22.521 12.479 3.401 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.775 11.877 2.697 1.00 0.00 H new ATOM 0 HG3 MET A 73 -25.098 11.115 4.242 1.00 0.00 H new ATOM 0 HE1 MET A 73 -23.493 15.148 3.966 1.00 0.00 H new ATOM 0 HE2 MET A 73 -23.787 14.096 2.562 1.00 0.00 H new ATOM 0 HE3 MET A 73 -24.957 15.370 2.979 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.407 9.469 2.864 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.957 9.468 2.717 1.00 0.00 C ATOM 1151 C VAL A 74 -18.641 9.354 1.208 1.00 0.00 C ATOM 1152 O VAL A 74 -19.284 8.603 0.490 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.298 8.263 3.474 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -18.933 6.963 3.092 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -16.790 8.242 3.280 1.00 0.00 C ATOM 0 H VAL A 74 -20.885 8.731 2.348 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.553 10.386 3.145 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.479 8.404 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -18.452 6.150 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -19.994 6.989 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -18.817 6.802 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.366 7.394 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.561 8.149 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.361 9.167 3.664 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.657 10.103 0.743 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.272 10.080 -0.673 1.00 0.00 C ATOM 1167 C HIS A 75 -15.896 9.530 -0.797 1.00 0.00 C ATOM 1168 O HIS A 75 -15.051 9.794 0.045 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.290 11.485 -1.291 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.639 11.948 -1.721 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -19.138 11.746 -2.995 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.595 12.587 -1.042 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -20.338 12.245 -3.078 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -20.649 12.766 -1.896 1.00 0.00 N ATOM 0 H HIS A 75 -17.104 10.738 1.319 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.993 9.458 -1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.890 12.193 -0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.622 11.499 -2.152 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.545 12.904 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.970 12.237 -3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.530 13.225 -1.663 1.00 0.00 H new ATOM 1182 N VAL A 76 -15.637 8.770 -1.863 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.319 8.236 -2.002 1.00 0.00 C ATOM 1184 C VAL A 76 -13.697 8.669 -3.302 1.00 0.00 C ATOM 1185 O VAL A 76 -14.249 8.454 -4.384 1.00 0.00 O ATOM 1186 CB VAL A 76 -14.342 6.689 -1.948 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -15.395 6.087 -2.909 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -12.973 6.148 -2.238 1.00 0.00 C ATOM 0 H VAL A 76 -16.300 8.529 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.725 8.619 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.635 6.393 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.374 5.000 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.386 6.450 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.167 6.387 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.996 5.059 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.658 6.468 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.269 6.523 -1.495 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.559 9.308 -3.175 1.00 0.00 N ATOM 1199 CA ILE A 77 -11.794 9.781 -4.296 1.00 0.00 C ATOM 1200 C ILE A 77 -11.230 8.645 -5.192 1.00 0.00 C ATOM 1201 O ILE A 77 -11.322 8.695 -6.411 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.618 10.618 -3.779 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.125 11.899 -3.122 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.653 10.950 -4.922 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.031 12.642 -2.391 1.00 0.00 C ATOM 0 H ILE A 77 -12.134 9.516 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.476 10.368 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.081 10.034 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.556 12.549 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.924 11.654 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.824 11.544 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.268 10.026 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.180 11.516 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.443 13.546 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.617 12.004 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.243 12.913 -3.094 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.693 7.621 -4.523 1.00 0.00 N ATOM 1218 CA LYS A 78 -9.888 6.572 -5.203 1.00 0.00 C ATOM 1219 C LYS A 78 -10.537 5.184 -5.339 1.00 0.00 C ATOM 1220 O LYS A 78 -9.872 4.239 -5.768 1.00 0.00 O ATOM 1221 CB LYS A 78 -8.490 6.467 -4.565 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.665 7.723 -4.653 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.330 8.047 -6.101 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.508 9.309 -6.224 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.153 9.598 -7.636 1.00 0.00 N ATOM 0 H LYS A 78 -10.793 7.486 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.815 6.921 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.603 6.195 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.945 5.655 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.211 8.554 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.746 7.601 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.783 7.214 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.253 8.159 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.066 10.149 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.598 9.209 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.589 10.471 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.599 8.808 -8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.022 9.718 -8.195 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.801 5.043 -4.986 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.441 3.743 -5.134 1.00 0.00 C ATOM 1241 C GLY A 79 -12.182 2.796 -3.948 1.00 0.00 C ATOM 1242 O GLY A 79 -12.330 1.581 -4.072 1.00 0.00 O ATOM 0 H GLY A 79 -12.391 5.783 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.516 3.886 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.084 3.272 -6.050 1.00 0.00 H new ATOM 1246 N ILE A 80 -11.763 3.367 -2.821 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.551 2.623 -1.547 1.00 0.00 C ATOM 1248 C ILE A 80 -10.399 1.567 -1.637 1.00 0.00 C ATOM 1249 O ILE A 80 -10.621 0.357 -1.821 1.00 0.00 O ATOM 1250 CB ILE A 80 -12.895 1.960 -1.073 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -14.001 2.999 -0.851 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -12.683 1.203 0.203 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -13.688 4.007 0.232 1.00 0.00 C ATOM 0 H ILE A 80 -11.555 4.363 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.232 3.352 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.209 1.282 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.180 3.529 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -14.926 2.482 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.623 0.750 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.939 0.422 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.332 1.886 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.518 4.707 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.538 3.489 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.782 4.553 -0.030 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.185 2.060 -1.528 1.00 0.00 N ATOM 1266 CA GLN A 81 -7.950 1.239 -1.543 1.00 0.00 C ATOM 1267 C GLN A 81 -6.886 1.836 -0.615 1.00 0.00 C ATOM 1268 O GLN A 81 -7.031 2.943 -0.161 1.00 0.00 O ATOM 1269 CB GLN A 81 -7.374 1.074 -2.932 1.00 0.00 C ATOM 1270 CG GLN A 81 -8.051 0.003 -3.767 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.637 -1.395 -3.324 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -6.380 -1.535 -2.897 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -8.428 -2.329 -3.346 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.003 3.058 -1.424 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.237 0.251 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.445 2.026 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.314 0.835 -2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.133 0.106 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.796 0.144 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.381 -2.183 -3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.134 -3.254 -3.031 1.00 0.00 H new ATOM 1282 N PHE A 82 -5.834 1.058 -0.316 1.00 0.00 N ATOM 1283 CA PHE A 82 -4.759 1.567 0.511 1.00 0.00 C ATOM 1284 C PHE A 82 -4.110 2.758 -0.153 1.00 0.00 C ATOM 1285 O PHE A 82 -3.763 2.719 -1.335 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.717 0.456 0.762 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.455 0.959 1.407 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.453 1.484 2.677 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.240 0.896 0.715 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.280 1.948 3.242 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.080 1.356 1.272 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.098 1.884 2.539 1.00 0.00 C ATOM 0 H PHE A 82 -5.716 0.096 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.169 1.886 1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.160 -0.312 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.467 -0.020 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.375 1.534 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.219 0.475 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.291 2.363 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.846 1.304 0.718 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.815 2.249 2.985 1.00 0.00 H new ATOM 1302 N GLY A 83 -3.977 3.829 0.622 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.459 5.079 0.141 1.00 0.00 C ATOM 1304 C GLY A 83 -4.584 5.995 -0.358 1.00 0.00 C ATOM 1305 O GLY A 83 -4.345 7.128 -0.792 1.00 0.00 O ATOM 0 H GLY A 83 -4.232 3.841 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.908 5.578 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.752 4.895 -0.668 1.00 0.00 H new ATOM 1309 N SER A 84 -5.807 5.483 -0.318 1.00 0.00 N ATOM 1310 CA SER A 84 -6.979 6.264 -0.705 1.00 0.00 C ATOM 1311 C SER A 84 -7.368 7.286 0.344 1.00 0.00 C ATOM 1312 O SER A 84 -7.132 7.097 1.541 1.00 0.00 O ATOM 1313 CB SER A 84 -8.164 5.360 -0.978 1.00 0.00 C ATOM 1314 OG SER A 84 -8.017 4.709 -2.217 1.00 0.00 O ATOM 0 H SER A 84 -6.015 4.530 -0.021 1.00 0.00 H new ATOM 0 HA SER A 84 -6.703 6.798 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.255 4.621 -0.182 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.083 5.946 -0.976 1.00 0.00 H new ATOM 0 HG SER A 84 -7.200 4.168 -2.207 1.00 0.00 H new ATOM 1320 N GLN A 85 -7.944 8.365 -0.104 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.450 9.400 0.760 1.00 0.00 C ATOM 1322 C GLN A 85 -9.923 9.675 0.439 1.00 0.00 C ATOM 1323 O GLN A 85 -10.322 9.721 -0.731 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.604 10.647 0.684 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.111 11.762 1.574 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.176 12.972 1.591 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -5.974 12.841 1.340 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.727 14.148 1.846 1.00 0.00 N ATOM 0 H GLN A 85 -8.079 8.556 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.391 9.055 1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.580 10.402 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.576 10.998 -0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.098 12.075 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.230 11.385 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.725 14.211 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.154 14.992 1.840 1.00 0.00 H new ATOM 1337 N ILE A 86 -10.708 9.805 1.480 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.163 9.935 1.387 1.00 0.00 C ATOM 1339 C ILE A 86 -12.678 11.133 2.172 1.00 0.00 C ATOM 1340 O ILE A 86 -11.951 11.699 2.978 1.00 0.00 O ATOM 1341 CB ILE A 86 -12.846 8.656 1.880 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -12.485 8.418 3.338 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.455 7.471 1.033 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.195 7.273 3.955 1.00 0.00 C ATOM 0 H ILE A 86 -10.359 9.825 2.438 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.407 10.095 0.337 1.00 0.00 H new ATOM 0 HB ILE A 86 -13.926 8.779 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.411 8.249 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -12.707 9.320 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.954 6.577 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.752 7.649 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.375 7.330 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.883 7.169 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.270 7.447 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.954 6.360 3.411 1.00 0.00 H new ATOM 1356 N LYS A 87 -13.934 11.534 1.900 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.542 12.664 2.603 1.00 0.00 C ATOM 1358 C LYS A 87 -15.618 12.188 3.549 1.00 0.00 C ATOM 1359 O LYS A 87 -16.415 11.317 3.209 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.183 13.626 1.604 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.242 14.733 1.075 1.00 0.00 C ATOM 1362 CD LYS A 87 -13.028 14.138 0.370 1.00 0.00 C ATOM 1363 CE LYS A 87 -12.195 15.219 -0.297 1.00 0.00 C ATOM 1364 NZ LYS A 87 -11.552 16.152 0.680 1.00 0.00 N ATOM 0 H LYS A 87 -14.537 11.094 1.205 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.753 13.168 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.558 13.052 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.045 14.097 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.787 15.377 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.913 15.360 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.415 13.596 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.356 13.415 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.422 14.750 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.829 15.792 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.998 16.866 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.287 16.624 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.923 15.615 1.311 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.676 12.805 4.711 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.688 12.484 5.662 1.00 0.00 C ATOM 1380 C TYR A 88 -17.642 13.571 5.917 1.00 0.00 C ATOM 1381 O TYR A 88 -17.496 14.359 6.851 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.110 11.965 6.964 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.795 10.501 6.901 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -16.814 9.553 6.994 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.501 10.054 6.759 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.553 8.222 6.948 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.223 8.707 6.719 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.249 7.795 6.814 1.00 0.00 C ATOM 1389 OH TYR A 88 -14.975 6.444 6.787 1.00 0.00 O ATOM 0 H TYR A 88 -15.026 13.532 5.009 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.257 11.682 5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.203 12.520 7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.818 12.148 7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -17.835 9.886 7.105 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.695 10.768 6.678 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.358 7.505 7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.203 8.367 6.613 1.00 0.00 H new ATOM 0 HH TYR A 88 -15.430 6.033 6.022 1.00 0.00 H new ATOM 1399 N SER A 89 -18.617 13.653 5.080 1.00 0.00 N ATOM 1400 CA SER A 89 -19.705 14.517 5.336 1.00 0.00 C ATOM 1401 C SER A 89 -20.665 13.844 6.328 1.00 0.00 C ATOM 1402 O SER A 89 -20.653 12.624 6.485 1.00 0.00 O ATOM 1403 CB SER A 89 -20.389 14.843 4.008 1.00 0.00 C ATOM 1404 OG SER A 89 -20.691 13.667 3.282 1.00 0.00 O ATOM 0 H SER A 89 -18.679 13.127 4.208 1.00 0.00 H new ATOM 0 HA SER A 89 -19.368 15.450 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 89 -21.306 15.402 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.741 15.485 3.411 1.00 0.00 H new ATOM 0 HG SER A 89 -20.578 12.886 3.863 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.459 14.617 6.996 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.493 14.039 7.845 1.00 0.00 C ATOM 1412 C CYS A 90 -23.847 14.582 7.481 1.00 0.00 C ATOM 1413 O CYS A 90 -24.857 13.929 7.617 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.176 14.256 9.337 1.00 0.00 C ATOM 1415 SG CYS A 90 -23.595 13.977 10.460 1.00 0.00 S ATOM 0 H CYS A 90 -21.427 15.636 6.983 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.511 12.963 7.673 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.364 13.588 9.624 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -21.814 15.275 9.475 1.00 0.00 H new ATOM 1420 N THR A 91 -23.859 15.799 7.081 1.00 0.00 N ATOM 1421 CA THR A 91 -25.047 16.488 6.690 1.00 0.00 C ATOM 1422 C THR A 91 -24.690 17.448 5.556 1.00 0.00 C ATOM 1423 O THR A 91 -23.542 17.843 5.439 1.00 0.00 O ATOM 1424 CB THR A 91 -25.650 17.214 7.904 1.00 0.00 C ATOM 1425 OG1 THR A 91 -26.112 16.257 8.876 1.00 0.00 O ATOM 1426 CG2 THR A 91 -26.763 18.182 7.532 1.00 0.00 C ATOM 0 H THR A 91 -23.016 16.369 7.012 1.00 0.00 H new ATOM 0 HA THR A 91 -25.805 15.793 6.329 1.00 0.00 H new ATOM 0 HB THR A 91 -24.853 17.818 8.338 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.040 16.642 9.774 1.00 0.00 H new ATOM 0 HG21 THR A 91 -27.145 18.661 8.434 1.00 0.00 H new ATOM 0 HG22 THR A 91 -26.373 18.942 6.855 1.00 0.00 H new ATOM 0 HG23 THR A 91 -27.569 17.638 7.041 1.00 0.00 H new ATOM 1434 N LYS A 92 -25.612 17.748 4.676 1.00 0.00 N ATOM 1435 CA LYS A 92 -25.317 18.668 3.638 1.00 0.00 C ATOM 1436 C LYS A 92 -24.997 20.045 4.199 1.00 0.00 C ATOM 1437 O LYS A 92 -24.038 20.687 3.776 1.00 0.00 O ATOM 1438 CB LYS A 92 -26.443 18.713 2.640 1.00 0.00 C ATOM 1439 CG LYS A 92 -26.171 19.628 1.486 1.00 0.00 C ATOM 1440 CD LYS A 92 -24.967 19.138 0.739 1.00 0.00 C ATOM 1441 CE LYS A 92 -24.828 19.817 -0.566 1.00 0.00 C ATOM 1442 NZ LYS A 92 -24.498 21.256 -0.454 1.00 0.00 N ATOM 0 H LYS A 92 -26.558 17.367 4.667 1.00 0.00 H new ATOM 0 HA LYS A 92 -24.425 18.325 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -26.626 17.707 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -27.354 19.035 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -27.035 19.663 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -26.003 20.644 1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -24.072 19.309 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -25.046 18.062 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -24.050 19.318 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -25.758 19.709 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.416 21.668 -1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -25.251 21.745 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -23.596 21.367 0.051 1.00 0.00 H new ATOM 1456 N GLY A 93 -25.794 20.487 5.127 1.00 0.00 N ATOM 1457 CA GLY A 93 -25.551 21.759 5.743 1.00 0.00 C ATOM 1458 C GLY A 93 -25.177 21.637 7.217 1.00 0.00 C ATOM 1459 O GLY A 93 -26.002 21.926 8.096 1.00 0.00 O ATOM 0 H GLY A 93 -26.614 19.989 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -24.749 22.269 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -26.442 22.380 5.649 1.00 0.00 H new ATOM 1463 N TYR A 94 -23.942 21.232 7.504 1.00 0.00 N ATOM 1464 CA TYR A 94 -23.475 21.088 8.912 1.00 0.00 C ATOM 1465 C TYR A 94 -21.970 21.336 8.926 1.00 0.00 C ATOM 1466 O TYR A 94 -21.344 21.386 7.858 1.00 0.00 O ATOM 1467 CB TYR A 94 -23.722 19.669 9.440 1.00 0.00 C ATOM 1468 CG TYR A 94 -22.610 18.701 9.073 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -22.238 18.508 7.761 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -21.866 18.072 10.059 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -21.177 17.700 7.432 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -20.791 17.276 9.739 1.00 0.00 C ATOM 1473 CZ TYR A 94 -20.453 17.091 8.420 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.379 16.319 8.089 1.00 0.00 O ATOM 0 H TYR A 94 -23.242 20.996 6.801 1.00 0.00 H new ATOM 0 HA TYR A 94 -24.019 21.794 9.539 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -23.824 19.703 10.525 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -24.666 19.298 9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -22.791 19.002 6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -22.135 18.209 11.096 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -20.915 17.546 6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -20.216 16.799 10.519 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.462 15.442 8.518 1.00 0.00 H new ATOM 1484 N ARG A 95 -21.413 21.543 10.084 1.00 0.00 N ATOM 1485 CA ARG A 95 -19.985 21.704 10.193 1.00 0.00 C ATOM 1486 C ARG A 95 -19.367 20.405 10.731 1.00 0.00 C ATOM 1487 O ARG A 95 -19.920 19.793 11.665 1.00 0.00 O ATOM 1488 CB ARG A 95 -19.702 22.859 11.140 1.00 0.00 C ATOM 1489 CG ARG A 95 -20.309 24.147 10.671 1.00 0.00 C ATOM 1490 CD ARG A 95 -19.672 24.626 9.390 1.00 0.00 C ATOM 1491 NE ARG A 95 -20.359 25.808 8.863 1.00 0.00 N ATOM 1492 CZ ARG A 95 -21.221 25.766 7.832 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -21.414 24.629 7.170 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -21.879 26.854 7.459 1.00 0.00 N ATOM 0 H ARG A 95 -21.921 21.605 10.966 1.00 0.00 H new ATOM 0 HA ARG A 95 -19.548 21.919 9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -20.090 22.617 12.129 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -18.624 22.985 11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -21.379 24.011 10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -20.192 24.908 11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.623 24.862 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -19.697 23.828 8.648 1.00 0.00 H new ATOM 0 HE ARG A 95 -20.174 26.710 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -20.908 23.787 7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -22.068 24.599 6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -21.734 27.733 7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -22.531 26.812 6.676 1.00 0.00 H new ATOM 1508 N LEU A 96 -18.279 19.945 10.169 1.00 0.00 N ATOM 1509 CA LEU A 96 -17.602 18.818 10.772 1.00 0.00 C ATOM 1510 C LEU A 96 -16.472 19.317 11.624 1.00 0.00 C ATOM 1511 O LEU A 96 -15.532 19.927 11.148 1.00 0.00 O ATOM 1512 CB LEU A 96 -17.028 17.916 9.710 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.413 16.627 10.224 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.397 15.809 10.960 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.869 15.853 9.087 1.00 0.00 C ATOM 0 H LEU A 96 -17.850 20.317 9.321 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.323 18.262 11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.818 17.666 9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.268 18.468 9.158 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.612 16.887 10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.919 14.895 11.312 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.774 16.373 11.813 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.225 15.554 10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.427 14.927 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.672 15.619 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.106 16.442 8.578 1.00 0.00 H new ATOM 1527 N ILE A 97 -16.593 19.030 12.906 1.00 0.00 N ATOM 1528 CA ILE A 97 -15.633 19.463 13.881 1.00 0.00 C ATOM 1529 C ILE A 97 -14.246 18.776 13.680 1.00 0.00 C ATOM 1530 O ILE A 97 -13.207 19.427 13.723 1.00 0.00 O ATOM 1531 CB ILE A 97 -16.129 19.221 15.310 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -17.529 19.859 15.506 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -15.137 19.780 16.327 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -17.604 21.346 15.268 1.00 0.00 C ATOM 0 H ILE A 97 -17.365 18.488 13.293 1.00 0.00 H new ATOM 0 HA ILE A 97 -15.509 20.536 13.732 1.00 0.00 H new ATOM 0 HB ILE A 97 -16.210 18.146 15.471 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.231 19.365 14.834 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -17.863 19.654 16.523 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -15.508 19.598 17.335 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -14.172 19.289 16.201 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -15.022 20.853 16.171 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -18.625 21.690 15.432 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -16.934 21.859 15.957 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -17.307 21.566 14.242 1.00 0.00 H new ATOM 1546 N GLY A 98 -14.272 17.450 13.437 1.00 0.00 N ATOM 1547 CA GLY A 98 -13.025 16.655 13.313 1.00 0.00 C ATOM 1548 C GLY A 98 -12.494 16.515 11.915 1.00 0.00 C ATOM 1549 O GLY A 98 -12.310 17.491 11.220 1.00 0.00 O ATOM 0 H GLY A 98 -15.129 16.909 13.323 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.256 17.116 13.933 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.206 15.659 13.718 1.00 0.00 H new ATOM 1553 N SER A 99 -12.255 15.266 11.491 1.00 0.00 N ATOM 1554 CA SER A 99 -11.652 15.041 10.197 1.00 0.00 C ATOM 1555 C SER A 99 -12.714 14.855 9.110 1.00 0.00 C ATOM 1556 O SER A 99 -13.543 13.944 9.163 1.00 0.00 O ATOM 1557 CB SER A 99 -10.747 13.788 10.274 1.00 0.00 C ATOM 1558 OG SER A 99 -9.706 13.974 11.235 1.00 0.00 O ATOM 0 H SER A 99 -12.469 14.422 12.022 1.00 0.00 H new ATOM 0 HA SER A 99 -11.058 15.916 9.932 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.345 12.917 10.543 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.313 13.586 9.295 1.00 0.00 H new ATOM 0 HG SER A 99 -9.146 13.171 11.270 1.00 0.00 H new ATOM 1564 N SER A 100 -12.640 15.749 8.142 1.00 0.00 N ATOM 1565 CA SER A 100 -13.494 15.809 6.946 1.00 0.00 C ATOM 1566 C SER A 100 -12.981 14.847 5.908 1.00 0.00 C ATOM 1567 O SER A 100 -13.584 14.661 4.861 1.00 0.00 O ATOM 1568 CB SER A 100 -13.540 17.236 6.405 1.00 0.00 C ATOM 1569 OG SER A 100 -13.739 18.171 7.475 1.00 0.00 O ATOM 0 H SER A 100 -11.948 16.498 8.160 1.00 0.00 H new ATOM 0 HA SER A 100 -14.511 15.518 7.209 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.611 17.464 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.346 17.330 5.677 1.00 0.00 H new ATOM 0 HG SER A 100 -13.765 19.081 7.113 1.00 0.00 H new ATOM 1575 N SER A 101 -11.866 14.241 6.218 1.00 0.00 N ATOM 1576 CA SER A 101 -11.297 13.264 5.383 1.00 0.00 C ATOM 1577 C SER A 101 -10.523 12.274 6.217 1.00 0.00 C ATOM 1578 O SER A 101 -10.092 12.597 7.331 1.00 0.00 O ATOM 1579 CB SER A 101 -10.390 13.934 4.325 1.00 0.00 C ATOM 1580 OG SER A 101 -9.443 14.820 4.915 1.00 0.00 O ATOM 0 H SER A 101 -11.336 14.426 7.070 1.00 0.00 H new ATOM 0 HA SER A 101 -12.087 12.728 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.863 13.165 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.007 14.484 3.615 1.00 0.00 H new ATOM 0 HG SER A 101 -8.889 15.221 4.213 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.347 11.105 5.665 1.00 0.00 N ATOM 1587 CA ALA A 102 -9.671 10.017 6.300 1.00 0.00 C ATOM 1588 C ALA A 102 -8.741 9.386 5.296 1.00 0.00 C ATOM 1589 O ALA A 102 -9.031 9.392 4.090 1.00 0.00 O ATOM 1590 CB ALA A 102 -10.697 8.998 6.801 1.00 0.00 C ATOM 0 H ALA A 102 -10.683 10.880 4.729 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.096 10.371 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.180 8.169 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.365 9.476 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.277 8.622 5.959 1.00 0.00 H new ATOM 1596 N THR A 103 -7.652 8.865 5.760 1.00 0.00 N ATOM 1597 CA THR A 103 -6.684 8.270 4.897 1.00 0.00 C ATOM 1598 C THR A 103 -6.500 6.788 5.286 1.00 0.00 C ATOM 1599 O THR A 103 -6.338 6.473 6.474 1.00 0.00 O ATOM 1600 CB THR A 103 -5.347 9.003 5.027 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.547 10.394 4.775 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.365 8.498 3.977 1.00 0.00 C ATOM 0 H THR A 103 -7.408 8.840 6.750 1.00 0.00 H new ATOM 0 HA THR A 103 -7.029 8.340 3.865 1.00 0.00 H new ATOM 0 HB THR A 103 -4.957 8.830 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.693 10.868 4.859 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.418 9.027 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.201 7.430 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.773 8.675 2.982 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.568 5.878 4.319 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.461 4.429 4.626 1.00 0.00 C ATOM 1612 C CYS A 104 -5.017 3.929 4.657 1.00 0.00 C ATOM 1613 O CYS A 104 -4.244 4.048 3.678 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.337 3.629 3.634 1.00 0.00 C ATOM 1615 SG CYS A 104 -7.534 1.841 4.024 1.00 0.00 S ATOM 0 H CYS A 104 -6.694 6.097 3.331 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.835 4.269 5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.325 4.087 3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.905 3.721 2.637 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.672 3.349 5.808 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.356 2.814 6.101 1.00 0.00 C ATOM 1622 C ILE A 105 -3.469 1.363 6.627 1.00 0.00 C ATOM 1623 O ILE A 105 -4.546 0.938 7.062 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.538 3.680 7.092 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.199 3.742 8.504 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.314 5.076 6.525 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.421 4.650 8.591 1.00 0.00 C ATOM 0 H ILE A 105 -5.327 3.239 6.582 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.808 2.826 5.159 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.568 3.201 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.489 2.734 8.800 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.456 4.084 9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.738 5.669 7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.767 5.003 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.277 5.556 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.816 4.633 9.607 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.136 5.669 8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.186 4.298 7.899 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.381 0.608 6.592 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.481 -0.823 6.927 1.00 0.00 C ATOM 1641 C ILE A 106 -2.488 -1.044 8.471 1.00 0.00 C ATOM 1642 O ILE A 106 -1.563 -0.612 9.158 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.200 -1.560 6.457 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.831 -1.254 4.994 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.396 -3.060 6.628 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.859 -1.625 3.978 1.00 0.00 C ATOM 0 H ILE A 106 -1.447 0.936 6.346 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.394 -1.187 6.455 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.376 -1.201 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.627 -0.187 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.095 -1.777 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.499 -3.584 6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.583 -3.285 7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.247 -3.386 6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.497 -1.366 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.049 -2.697 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.783 -1.083 4.180 1.00 0.00 H new ATOM 1658 N SER A 107 -3.529 -1.695 8.997 1.00 0.00 N ATOM 1659 CA SER A 107 -3.530 -2.201 10.373 1.00 0.00 C ATOM 1660 C SER A 107 -2.477 -3.282 10.522 1.00 0.00 C ATOM 1661 O SER A 107 -1.764 -3.393 11.527 1.00 0.00 O ATOM 1662 CB SER A 107 -4.894 -2.751 10.751 1.00 0.00 C ATOM 1663 OG SER A 107 -5.890 -1.797 10.498 1.00 0.00 O ATOM 0 H SER A 107 -4.390 -1.886 8.485 1.00 0.00 H new ATOM 0 HA SER A 107 -3.300 -1.373 11.044 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.098 -3.659 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.903 -3.026 11.806 1.00 0.00 H new ATOM 0 HG SER A 107 -6.549 -1.812 11.223 1.00 0.00 H new ATOM 1669 N GLY A 108 -2.415 -4.102 9.487 1.00 0.00 N ATOM 1670 CA GLY A 108 -1.594 -5.288 9.439 1.00 0.00 C ATOM 1671 C GLY A 108 -2.379 -6.402 8.786 1.00 0.00 C ATOM 1672 O GLY A 108 -2.113 -6.768 7.645 1.00 0.00 O ATOM 0 H GLY A 108 -2.953 -3.952 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.681 -5.091 8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.293 -5.579 10.445 1.00 0.00 H new ATOM 1676 N ASP A 109 -3.371 -6.929 9.492 1.00 0.00 N ATOM 1677 CA ASP A 109 -4.298 -7.924 8.924 1.00 0.00 C ATOM 1678 C ASP A 109 -5.159 -7.277 7.822 1.00 0.00 C ATOM 1679 O ASP A 109 -5.502 -7.910 6.822 1.00 0.00 O ATOM 1680 CB ASP A 109 -5.200 -8.549 10.009 1.00 0.00 C ATOM 1681 CG ASP A 109 -5.947 -7.514 10.843 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -5.270 -6.704 11.530 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -7.184 -7.458 10.772 1.00 0.00 O ATOM 0 H ASP A 109 -3.562 -6.688 10.465 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.700 -8.726 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.923 -9.212 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.589 -9.165 10.669 1.00 0.00 H new ATOM 1688 N THR A 110 -5.484 -6.005 8.024 1.00 0.00 N ATOM 1689 CA THR A 110 -6.400 -5.293 7.155 1.00 0.00 C ATOM 1690 C THR A 110 -5.986 -3.839 7.000 1.00 0.00 C ATOM 1691 O THR A 110 -5.006 -3.402 7.585 1.00 0.00 O ATOM 1692 CB THR A 110 -7.863 -5.377 7.663 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.760 -4.806 6.689 1.00 0.00 O ATOM 1694 CG2 THR A 110 -8.029 -4.652 8.980 1.00 0.00 C ATOM 0 H THR A 110 -5.119 -5.444 8.794 1.00 0.00 H new ATOM 0 HA THR A 110 -6.354 -5.779 6.180 1.00 0.00 H new ATOM 0 HB THR A 110 -8.103 -6.430 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.999 -3.895 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.065 -4.729 9.310 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.376 -5.102 9.728 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.766 -3.602 8.853 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.720 -3.101 6.193 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.460 -1.715 5.980 1.00 0.00 C ATOM 1704 C VAL A 111 -7.593 -0.873 6.596 1.00 0.00 C ATOM 1705 O VAL A 111 -8.781 -1.157 6.387 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.388 -1.395 4.472 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.128 -1.919 3.842 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.555 -1.999 3.782 1.00 0.00 C ATOM 0 H VAL A 111 -7.517 -3.461 5.668 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.505 -1.476 6.449 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.394 -0.310 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.121 -1.670 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.263 -1.466 4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.085 -3.002 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.505 -1.773 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.543 -3.080 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.476 -1.588 4.197 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.211 0.129 7.380 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.161 0.993 8.079 1.00 0.00 C ATOM 1720 C ILE A 112 -7.867 2.481 7.818 1.00 0.00 C ATOM 1721 O ILE A 112 -6.798 2.836 7.343 1.00 0.00 O ATOM 1722 CB ILE A 112 -8.211 0.766 9.609 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.872 1.077 10.264 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.633 -0.662 9.910 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.910 1.054 11.785 1.00 0.00 C ATOM 0 H ILE A 112 -6.234 0.367 7.550 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.133 0.718 7.669 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.948 1.451 10.028 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.133 0.355 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.536 2.060 9.933 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.665 -0.812 10.989 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.621 -0.846 9.488 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.916 -1.354 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.920 1.285 12.177 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.624 1.796 12.142 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.214 0.064 12.126 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.826 3.323 8.123 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.725 4.765 7.931 1.00 0.00 C ATOM 1739 C TRP A 113 -8.317 5.462 9.249 1.00 0.00 C ATOM 1740 O TRP A 113 -8.685 5.005 10.328 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.049 5.310 7.405 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.581 4.551 6.233 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.329 3.399 6.244 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.416 4.906 4.853 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.618 3.029 4.963 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.078 3.930 4.097 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -9.775 5.952 4.200 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.123 3.970 2.708 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -9.814 5.989 2.827 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.485 5.010 2.094 1.00 0.00 C ATOM 0 H TRP A 113 -9.718 3.027 8.519 1.00 0.00 H new ATOM 0 HA TRP A 113 -7.949 4.973 7.194 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.786 5.288 8.207 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -9.917 6.354 7.122 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.641 2.867 7.131 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.156 2.205 4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.258 6.718 4.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.640 3.211 2.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.315 6.792 2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.500 5.076 1.016 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.541 6.554 9.147 1.00 0.00 N ATOM 1762 CA ASP A 114 -6.906 7.205 10.325 1.00 0.00 C ATOM 1763 C ASP A 114 -7.813 8.203 11.038 1.00 0.00 C ATOM 1764 O ASP A 114 -7.394 8.832 12.023 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.607 7.941 9.923 1.00 0.00 C ATOM 1766 CG ASP A 114 -5.796 8.966 8.818 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -6.920 9.036 8.269 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -4.843 9.729 8.522 1.00 0.00 O ATOM 0 H ASP A 114 -7.332 7.013 8.260 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.692 6.388 11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.197 8.440 10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -4.870 7.206 9.601 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.035 8.386 10.576 1.00 0.00 N ATOM 1774 CA GLN A 115 -9.947 9.334 11.230 1.00 0.00 C ATOM 1775 C GLN A 115 -10.263 8.982 12.674 1.00 0.00 C ATOM 1776 O GLN A 115 -10.432 7.811 13.033 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.244 9.570 10.441 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.193 10.561 11.148 1.00 0.00 C ATOM 1779 CD GLN A 115 -13.380 10.960 10.317 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -13.335 10.852 9.127 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -14.445 11.418 10.949 1.00 0.00 N ATOM 0 H GLN A 115 -9.424 7.905 9.765 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.389 10.270 11.241 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -10.998 9.951 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.757 8.619 10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.545 10.113 12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.633 11.456 11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.441 11.494 11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.272 11.696 10.420 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.301 10.040 13.499 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.536 9.923 14.950 1.00 0.00 C ATOM 1792 C GLU A 116 -11.933 9.389 15.255 1.00 0.00 C ATOM 1793 O GLU A 116 -12.085 8.555 16.153 1.00 0.00 O ATOM 1794 CB GLU A 116 -10.372 11.308 15.592 1.00 0.00 C ATOM 1795 CG GLU A 116 -8.947 11.843 15.542 1.00 0.00 C ATOM 1796 CD GLU A 116 -7.977 10.985 16.365 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -8.436 10.251 17.260 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -6.766 11.043 16.111 1.00 0.00 O ATOM 0 H GLU A 116 -10.170 11.000 13.181 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.812 9.218 15.358 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.033 12.013 15.087 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.695 11.257 16.632 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.610 11.877 14.506 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.932 12.867 15.916 1.00 0.00 H new ATOM 1805 N THR A 117 -12.928 9.865 14.516 1.00 0.00 N ATOM 1806 CA THR A 117 -14.325 9.443 14.715 1.00 0.00 C ATOM 1807 C THR A 117 -15.258 10.409 13.969 1.00 0.00 C ATOM 1808 O THR A 117 -14.919 11.596 13.798 1.00 0.00 O ATOM 1809 CB THR A 117 -14.703 9.420 16.232 1.00 0.00 C ATOM 1810 OG1 THR A 117 -15.891 8.637 16.453 1.00 0.00 O ATOM 1811 CG2 THR A 117 -14.919 10.822 16.806 1.00 0.00 C ATOM 0 H THR A 117 -12.801 10.547 13.768 1.00 0.00 H new ATOM 0 HA THR A 117 -14.437 8.432 14.323 1.00 0.00 H new ATOM 0 HB THR A 117 -13.856 8.968 16.748 1.00 0.00 H new ATOM 0 HG1 THR A 117 -16.108 8.635 17.409 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.179 10.747 17.862 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.004 11.404 16.698 1.00 0.00 H new ATOM 0 HG23 THR A 117 -15.728 11.315 16.267 1.00 0.00 H new ATOM 1819 N PRO A 118 -16.404 9.916 13.424 1.00 0.00 N ATOM 1820 CA PRO A 118 -17.399 10.777 12.752 1.00 0.00 C ATOM 1821 C PRO A 118 -18.000 11.816 13.717 1.00 0.00 C ATOM 1822 O PRO A 118 -18.205 11.529 14.886 1.00 0.00 O ATOM 1823 CB PRO A 118 -18.476 9.794 12.255 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.797 8.458 12.295 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.806 8.524 13.429 1.00 0.00 C ATOM 0 HA PRO A 118 -16.956 11.359 11.944 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.358 9.812 12.895 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.808 10.043 11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.520 7.658 12.456 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.295 8.248 11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.258 8.237 14.378 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.959 7.858 13.265 1.00 0.00 H new ATOM 1833 N ILE A 119 -18.271 13.026 13.208 1.00 0.00 N ATOM 1834 CA ILE A 119 -18.745 14.162 14.046 1.00 0.00 C ATOM 1835 C ILE A 119 -19.834 14.956 13.274 1.00 0.00 C ATOM 1836 O ILE A 119 -19.817 14.976 12.063 1.00 0.00 O ATOM 1837 CB ILE A 119 -17.559 15.066 14.300 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -16.496 14.270 15.025 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -18.031 16.220 15.193 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -15.165 14.889 15.013 1.00 0.00 C ATOM 0 H ILE A 119 -18.173 13.254 12.219 1.00 0.00 H new ATOM 0 HA ILE A 119 -19.167 13.799 14.983 1.00 0.00 H new ATOM 0 HB ILE A 119 -17.152 15.454 13.366 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.808 14.127 16.060 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.428 13.281 14.573 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -17.195 16.890 15.394 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -18.824 16.771 14.687 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -18.410 15.821 16.134 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.463 14.254 15.554 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.828 15.007 13.983 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -15.214 15.866 15.493 1.00 0.00 H new ATOM 1852 N CYS A 120 -20.794 15.542 13.961 1.00 0.00 N ATOM 1853 CA CYS A 120 -21.798 16.371 13.274 1.00 0.00 C ATOM 1854 C CYS A 120 -22.097 17.662 14.086 1.00 0.00 C ATOM 1855 O CYS A 120 -22.651 17.578 15.169 1.00 0.00 O ATOM 1856 CB CYS A 120 -23.071 15.552 13.093 1.00 0.00 C ATOM 1857 SG CYS A 120 -22.799 13.887 12.344 1.00 0.00 S ATOM 0 H CYS A 120 -20.911 15.471 14.972 1.00 0.00 H new ATOM 0 HA CYS A 120 -21.412 16.673 12.300 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -23.551 15.427 14.064 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -23.764 16.112 12.465 1.00 0.00 H new ATOM 1862 N ASP A 121 -21.713 18.858 13.574 1.00 0.00 N ATOM 1863 CA ASP A 121 -22.052 20.119 14.276 1.00 0.00 C ATOM 1864 C ASP A 121 -23.559 20.334 14.344 1.00 0.00 C ATOM 1865 O ASP A 121 -24.095 20.646 15.395 1.00 0.00 O ATOM 1866 CB ASP A 121 -21.395 21.332 13.603 1.00 0.00 C ATOM 1867 CG ASP A 121 -21.773 22.673 14.248 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -21.200 23.016 15.293 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -22.645 23.382 13.679 1.00 0.00 O ATOM 0 H ASP A 121 -21.187 18.975 12.708 1.00 0.00 H new ATOM 0 HA ASP A 121 -21.664 20.025 15.290 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -20.312 21.214 13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -21.679 21.351 12.551 1.00 0.00 H new ATOM 1874 N ARG A 122 -24.204 20.063 13.198 1.00 0.00 N ATOM 1875 CA ARG A 122 -25.660 20.218 13.007 1.00 0.00 C ATOM 1876 C ARG A 122 -26.295 21.289 13.938 1.00 0.00 C ATOM 1877 O ARG A 122 -26.820 20.922 15.017 1.00 0.00 O ATOM 1878 CB ARG A 122 -26.373 18.878 13.090 1.00 0.00 C ATOM 1879 CG ARG A 122 -27.875 18.971 12.814 1.00 0.00 C ATOM 1880 CD ARG A 122 -28.549 17.607 12.873 1.00 0.00 C ATOM 1881 NE ARG A 122 -28.108 16.735 11.773 1.00 0.00 N ATOM 1882 CZ ARG A 122 -28.512 15.473 11.561 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -29.398 14.893 12.362 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -28.020 14.784 10.536 1.00 0.00 N ATOM 0 H ARG A 122 -23.724 19.725 12.364 1.00 0.00 H new ATOM 0 HA ARG A 122 -25.800 20.602 11.997 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -25.922 18.190 12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -26.219 18.454 14.082 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -28.338 19.636 13.543 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -28.037 19.414 11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -28.324 17.131 13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -29.631 17.733 12.826 1.00 0.00 H new ATOM 0 HE ARG A 122 -27.435 17.124 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -29.783 15.408 13.154 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -29.693 13.933 12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -27.337 15.215 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -28.325 13.825 10.373 1.00 0.00 H new TER 1898 ARG A 122