USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 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 85 GLN :FLIP amide:sc= -1.16 F(o=-3.8!,f=-2.5) USER MOD Set 1.2: A 101 SER OG : rot 1:sc= -1.29! USER MOD Set 2.1: A 73 MET CE :methyl -124:sc= -0.311 (180deg=-0.763) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 71 ASN : amide:sc= -0.0489 K(o=-0.46,f=-2!) USER MOD Set 3.2: A 91 THR OG1 : rot -120:sc= -0.408 USER MOD Set 4.1: A 65 ASN : amide:sc= -1.47! C(o=-0.41!,f=-4.6!) USER MOD Set 4.2: A 88 TYR OH : rot 32:sc= 1.06 USER MOD Set 4.3: A 115 GLN : amide:sc= 0 K(o=-0.41,f=-1.1) USER MOD Single : A 1 GLN : amide:sc= -0.999 K(o=-1,f=-4.7!) USER MOD Single : A 1 GLN N :NH3+ -149:sc= 0.218 (180deg=-1.53!) USER MOD Single : A 3 ASN : amide:sc= 0.0058 X(o=0.0058,f=0) USER MOD Single : A 14 THR OG1 : rot -37:sc= 0.598 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0991 F(o=-13!,f=-0.099) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0184 K(o=0.018,f=-0.9) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -140:sc= -0.487 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 :FLIP amide:sc= -0.0075 F(o=-1.2,f=-0.0075) USER MOD Single : A 49 SER OG : rot 180:sc= 0 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+ 139:sc= 0.675 (180deg=0.0517) USER MOD Single : A 62 SER OG : rot 180:sc= 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 : amide:sc= -0.398 X(o=-0.4,f=-0.47) USER MOD Single : A 84 SER OG : rot -150:sc= -0.264 USER MOD Single : A 87 LYS NZ :NH3+ -169:sc=-0.00263 (180deg=-0.102) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -132:sc= -0.833 USER MOD Single : A 99 SER OG : rot 99:sc= 1.03 USER MOD Single : A 100 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 111:sc= 1.72 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.059 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.546 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 22.874 -5.020 -17.226 1.00 0.00 N ATOM 2 CA GLN A 1 22.672 -6.446 -17.340 1.00 0.00 C ATOM 3 C GLN A 1 21.198 -6.809 -17.104 1.00 0.00 C ATOM 4 O GLN A 1 20.441 -6.977 -18.058 1.00 0.00 O ATOM 5 CB GLN A 1 23.583 -6.993 -16.284 1.00 0.00 C ATOM 6 CG GLN A 1 25.032 -6.693 -16.646 1.00 0.00 C ATOM 7 CD GLN A 1 25.983 -7.015 -15.569 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.500 -8.113 -15.452 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.194 -6.015 -14.725 1.00 0.00 N ATOM 0 H1 GLN A 1 23.648 -4.728 -17.856 1.00 0.00 H new ATOM 0 H2 GLN A 1 22.001 -4.523 -17.497 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.118 -4.781 -16.244 1.00 0.00 H new ATOM 0 HA GLN A 1 22.895 -6.852 -18.327 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.341 -6.551 -15.318 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.438 -8.069 -16.188 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.300 -7.258 -17.538 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.124 -5.637 -16.898 1.00 0.00 H new ATOM 0 HE21 GLN A 1 25.734 -5.117 -14.873 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.817 -6.144 -13.927 1.00 0.00 H new ATOM 18 N CYS A 2 20.797 -6.885 -15.850 1.00 0.00 N ATOM 19 CA CYS A 2 19.409 -7.161 -15.501 1.00 0.00 C ATOM 20 C CYS A 2 18.574 -5.901 -15.735 1.00 0.00 C ATOM 21 O CYS A 2 17.358 -5.954 -15.847 1.00 0.00 O ATOM 22 CB CYS A 2 19.290 -7.623 -14.068 1.00 0.00 C ATOM 23 SG CYS A 2 20.438 -8.986 -13.639 1.00 0.00 S ATOM 0 H CYS A 2 21.414 -6.759 -15.048 1.00 0.00 H new ATOM 0 HA CYS A 2 19.036 -7.966 -16.134 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.479 -6.778 -13.406 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.266 -7.950 -13.884 1.00 0.00 H new ATOM 28 N ASN A 3 19.284 -4.747 -15.787 1.00 0.00 N ATOM 29 CA ASN A 3 18.686 -3.396 -15.909 1.00 0.00 C ATOM 30 C ASN A 3 17.776 -3.005 -14.809 1.00 0.00 C ATOM 31 O ASN A 3 16.817 -2.261 -15.033 1.00 0.00 O ATOM 32 CB ASN A 3 18.016 -3.214 -17.245 1.00 0.00 C ATOM 33 CG ASN A 3 19.023 -3.049 -18.330 1.00 0.00 C ATOM 34 OD1 ASN A 3 19.366 -1.934 -18.700 1.00 0.00 O ATOM 35 ND2 ASN A 3 19.593 -4.117 -18.746 1.00 0.00 N ATOM 0 H ASN A 3 20.303 -4.729 -15.745 1.00 0.00 H new ATOM 0 HA ASN A 3 19.534 -2.716 -15.829 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.384 -4.076 -17.459 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.364 -2.341 -17.213 1.00 0.00 H new ATOM 0 HD21 ASN A 3 20.364 -4.058 -19.411 1.00 0.00 H new ATOM 0 HD22 ASN A 3 19.276 -5.027 -18.412 1.00 0.00 H new ATOM 42 N ALA A 4 18.106 -3.463 -13.603 1.00 0.00 N ATOM 43 CA ALA A 4 17.426 -3.039 -12.400 1.00 0.00 C ATOM 44 C ALA A 4 15.932 -3.375 -12.443 1.00 0.00 C ATOM 45 O ALA A 4 15.178 -2.798 -13.194 1.00 0.00 O ATOM 46 CB ALA A 4 17.672 -1.578 -12.238 1.00 0.00 C ATOM 0 H ALA A 4 18.853 -4.138 -13.442 1.00 0.00 H new ATOM 0 HA ALA A 4 17.817 -3.577 -11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.172 -1.223 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.743 -1.397 -12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.281 -1.045 -13.105 1.00 0.00 H new ATOM 52 N PRO A 5 15.493 -4.305 -11.600 1.00 0.00 N ATOM 53 CA PRO A 5 14.118 -4.854 -11.681 1.00 0.00 C ATOM 54 C PRO A 5 13.023 -3.830 -11.548 1.00 0.00 C ATOM 55 O PRO A 5 11.996 -3.982 -12.177 1.00 0.00 O ATOM 56 CB PRO A 5 14.053 -5.768 -10.477 1.00 0.00 C ATOM 57 CG PRO A 5 15.143 -5.297 -9.568 1.00 0.00 C ATOM 58 CD PRO A 5 16.248 -4.870 -10.475 1.00 0.00 C ATOM 0 HA PRO A 5 13.955 -5.317 -12.654 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.080 -5.708 -9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.202 -6.809 -10.764 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.805 -4.471 -8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.468 -6.092 -8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.902 -4.134 -10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.876 -5.707 -10.780 1.00 0.00 H new ATOM 66 N GLU A 6 13.312 -2.816 -10.718 1.00 0.00 N ATOM 67 CA GLU A 6 12.467 -1.633 -10.361 1.00 0.00 C ATOM 68 C GLU A 6 12.596 -1.326 -8.930 1.00 0.00 C ATOM 69 O GLU A 6 13.289 -2.012 -8.188 1.00 0.00 O ATOM 70 CB GLU A 6 10.948 -1.767 -10.609 1.00 0.00 C ATOM 71 CG GLU A 6 10.514 -1.821 -12.022 1.00 0.00 C ATOM 72 CD GLU A 6 10.818 -0.542 -12.776 1.00 0.00 C ATOM 73 OE1 GLU A 6 10.979 0.514 -12.114 1.00 0.00 O ATOM 74 OE2 GLU A 6 10.871 -0.575 -14.017 1.00 0.00 O ATOM 0 H GLU A 6 14.209 -2.786 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 6 12.850 -0.860 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.599 -2.671 -10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.448 -0.925 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.008 -2.657 -12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.442 -2.015 -12.062 1.00 0.00 H new ATOM 81 N TRP A 7 11.924 -0.278 -8.533 1.00 0.00 N ATOM 82 CA TRP A 7 11.752 -0.036 -7.182 1.00 0.00 C ATOM 83 C TRP A 7 10.402 -0.537 -6.781 1.00 0.00 C ATOM 84 O TRP A 7 9.370 0.001 -7.170 1.00 0.00 O ATOM 85 CB TRP A 7 11.938 1.426 -6.800 1.00 0.00 C ATOM 86 CG TRP A 7 11.592 1.658 -5.378 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.298 1.275 -4.280 1.00 0.00 C ATOM 88 CD2 TRP A 7 10.458 2.362 -4.901 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.633 1.651 -3.145 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.506 2.335 -3.496 1.00 0.00 C ATOM 91 CE3 TRP A 7 9.391 3.001 -5.522 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.531 2.928 -2.707 1.00 0.00 C ATOM 93 CZ3 TRP A 7 8.425 3.594 -4.738 1.00 0.00 C ATOM 94 CH2 TRP A 7 8.500 3.554 -3.348 1.00 0.00 C ATOM 0 H TRP A 7 11.496 0.408 -9.155 1.00 0.00 H new ATOM 0 HA TRP A 7 12.531 -0.570 -6.639 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.972 1.722 -6.978 1.00 0.00 H new ATOM 0 HB3 TRP A 7 11.313 2.053 -7.436 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.243 0.752 -4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.932 1.452 -2.190 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.320 3.032 -6.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.585 2.896 -1.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 7.595 4.099 -5.210 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.726 4.029 -2.764 1.00 0.00 H new ATOM 105 N LEU A 8 10.423 -1.583 -6.006 1.00 0.00 N ATOM 106 CA LEU A 8 9.225 -2.186 -5.528 1.00 0.00 C ATOM 107 C LEU A 8 8.777 -1.478 -4.249 1.00 0.00 C ATOM 108 O LEU A 8 9.428 -1.589 -3.204 1.00 0.00 O ATOM 109 CB LEU A 8 9.466 -3.664 -5.279 1.00 0.00 C ATOM 110 CG LEU A 8 8.226 -4.549 -5.287 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.541 -4.490 -6.641 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.584 -5.980 -4.936 1.00 0.00 C ATOM 0 H LEU A 8 11.279 -2.039 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 8 8.434 -2.089 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.157 -4.033 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.962 -3.774 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 8 7.535 -4.175 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.657 -5.128 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.245 -3.463 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.229 -4.837 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.683 -6.594 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.296 -6.366 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.030 -6.010 -3.942 1.00 0.00 H new ATOM 124 N PRO A 9 7.663 -0.742 -4.313 1.00 0.00 N ATOM 125 CA PRO A 9 7.209 0.111 -3.211 1.00 0.00 C ATOM 126 C PRO A 9 6.829 -0.656 -1.943 1.00 0.00 C ATOM 127 O PRO A 9 6.804 -0.084 -0.857 1.00 0.00 O ATOM 128 CB PRO A 9 5.988 0.832 -3.793 1.00 0.00 C ATOM 129 CG PRO A 9 5.521 -0.060 -4.901 1.00 0.00 C ATOM 130 CD PRO A 9 6.765 -0.668 -5.474 1.00 0.00 C ATOM 0 HA PRO A 9 8.007 0.776 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.212 0.970 -3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.251 1.822 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.844 -0.829 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.976 0.505 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.574 -1.653 -5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.185 -0.053 -6.270 1.00 0.00 H new ATOM 138 N PHE A 10 6.517 -1.929 -2.067 1.00 0.00 N ATOM 139 CA PHE A 10 6.127 -2.693 -0.898 1.00 0.00 C ATOM 140 C PHE A 10 7.270 -3.572 -0.387 1.00 0.00 C ATOM 141 O PHE A 10 7.078 -4.366 0.533 1.00 0.00 O ATOM 142 CB PHE A 10 4.880 -3.552 -1.178 1.00 0.00 C ATOM 143 CG PHE A 10 4.733 -4.062 -2.596 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.100 -3.300 -3.578 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.228 -5.305 -2.945 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.969 -3.783 -4.864 1.00 0.00 C ATOM 147 CE2 PHE A 10 5.095 -5.790 -4.228 1.00 0.00 C ATOM 148 CZ PHE A 10 4.468 -5.027 -5.190 1.00 0.00 C ATOM 0 H PHE A 10 6.524 -2.449 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 10 5.881 -1.972 -0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.894 -4.409 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.995 -2.965 -0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.709 -2.324 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.727 -5.906 -2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.475 -3.186 -5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.481 -6.767 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.368 -5.403 -6.198 1.00 0.00 H new ATOM 158 N ALA A 11 8.456 -3.397 -0.950 1.00 0.00 N ATOM 159 CA ALA A 11 9.592 -4.217 -0.567 1.00 0.00 C ATOM 160 C ALA A 11 10.809 -3.369 -0.221 1.00 0.00 C ATOM 161 O ALA A 11 10.974 -2.247 -0.730 1.00 0.00 O ATOM 162 CB ALA A 11 9.943 -5.191 -1.677 1.00 0.00 C ATOM 0 H ALA A 11 8.655 -2.700 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 11 9.304 -4.774 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.796 -5.797 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.090 -5.839 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.196 -4.637 -2.581 1.00 0.00 H new ATOM 168 N ARG A 12 11.620 -3.877 0.691 1.00 0.00 N ATOM 169 CA ARG A 12 12.884 -3.238 1.052 1.00 0.00 C ATOM 170 C ARG A 12 14.056 -4.240 0.950 1.00 0.00 C ATOM 171 O ARG A 12 14.483 -4.798 1.957 1.00 0.00 O ATOM 172 CB ARG A 12 12.854 -2.662 2.482 1.00 0.00 C ATOM 173 CG ARG A 12 12.009 -1.417 2.641 1.00 0.00 C ATOM 174 CD ARG A 12 12.326 -0.680 3.947 1.00 0.00 C ATOM 175 NE ARG A 12 11.336 -0.910 5.005 1.00 0.00 N ATOM 176 CZ ARG A 12 11.632 -1.399 6.222 1.00 0.00 C ATOM 177 NH1 ARG A 12 12.847 -1.871 6.475 1.00 0.00 N ATOM 178 NH2 ARG A 12 10.715 -1.421 7.194 1.00 0.00 N ATOM 0 H ARG A 12 11.427 -4.738 1.202 1.00 0.00 H new ATOM 0 HA ARG A 12 13.029 -2.420 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.480 -3.428 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.875 -2.434 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.181 -0.750 1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.954 -1.689 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.307 -0.995 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.388 0.389 3.745 1.00 0.00 H new ATOM 0 HE ARG A 12 10.362 -0.685 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.559 -1.863 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.068 -2.241 7.399 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.776 -1.064 7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.954 -1.795 8.112 1.00 0.00 H new ATOM 192 N PRO A 13 14.557 -4.526 -0.283 1.00 0.00 N ATOM 193 CA PRO A 13 15.712 -5.400 -0.472 1.00 0.00 C ATOM 194 C PRO A 13 16.951 -4.797 0.166 1.00 0.00 C ATOM 195 O PRO A 13 17.132 -3.579 0.155 1.00 0.00 O ATOM 196 CB PRO A 13 15.909 -5.508 -1.966 1.00 0.00 C ATOM 197 CG PRO A 13 14.687 -4.930 -2.584 1.00 0.00 C ATOM 198 CD PRO A 13 14.062 -4.009 -1.556 1.00 0.00 C ATOM 0 HA PRO A 13 15.548 -6.373 -0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.800 -4.965 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.045 -6.547 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.937 -4.381 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.990 -5.718 -2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.362 -2.973 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.973 -4.036 -1.603 1.00 0.00 H new ATOM 206 N THR A 14 17.812 -5.630 0.659 1.00 0.00 N ATOM 207 CA THR A 14 18.997 -5.170 1.400 1.00 0.00 C ATOM 208 C THR A 14 20.245 -5.069 0.495 1.00 0.00 C ATOM 209 O THR A 14 21.342 -4.783 0.954 1.00 0.00 O ATOM 210 CB THR A 14 19.286 -6.089 2.628 1.00 0.00 C ATOM 211 OG1 THR A 14 20.297 -5.513 3.437 1.00 0.00 O ATOM 212 CG2 THR A 14 19.730 -7.480 2.172 1.00 0.00 C ATOM 0 H THR A 14 17.736 -6.644 0.573 1.00 0.00 H new ATOM 0 HA THR A 14 18.772 -4.167 1.763 1.00 0.00 H new ATOM 0 HB THR A 14 18.367 -6.186 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.961 -5.073 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.926 -8.104 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.943 -7.934 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.638 -7.395 1.576 1.00 0.00 H new ATOM 220 N GLN A 15 20.053 -5.314 -0.791 1.00 0.00 N ATOM 221 CA GLN A 15 21.174 -5.445 -1.751 1.00 0.00 C ATOM 222 C GLN A 15 21.008 -4.373 -2.810 1.00 0.00 C ATOM 223 O GLN A 15 21.896 -3.585 -3.088 1.00 0.00 O ATOM 224 CB GLN A 15 20.921 -6.697 -2.465 1.00 0.00 C ATOM 225 CG GLN A 15 20.952 -7.920 -1.658 1.00 0.00 C ATOM 226 CD GLN A 15 20.479 -8.951 -2.537 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.180 -8.887 -2.700 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 21.233 -9.648 -3.211 1.00 0.00 N flip ATOM 0 H GLN A 15 19.131 -5.429 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 15 22.140 -5.389 -1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.944 -6.627 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.660 -6.793 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.960 -8.134 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.317 -7.829 -0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.236 -9.644 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.857 -10.231 -3.959 1.00 0.00 H new ATOM 237 N LEU A 16 19.753 -4.262 -3.245 1.00 0.00 N ATOM 238 CA LEU A 16 19.300 -3.441 -4.365 1.00 0.00 C ATOM 239 C LEU A 16 19.635 -1.991 -4.239 1.00 0.00 C ATOM 240 O LEU A 16 19.689 -1.290 -5.247 1.00 0.00 O ATOM 241 CB LEU A 16 17.799 -3.656 -4.590 1.00 0.00 C ATOM 242 CG LEU A 16 17.079 -2.605 -5.447 1.00 0.00 C ATOM 243 CD1 LEU A 16 15.915 -3.222 -6.174 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.565 -1.496 -4.522 1.00 0.00 C ATOM 0 H LEU A 16 18.986 -4.769 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 16 19.854 -3.775 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.660 -4.631 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.310 -3.696 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 16 17.774 -2.202 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.417 -2.462 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.273 -4.021 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.210 -3.631 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.050 -0.739 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.874 -1.921 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.406 -1.039 -4.000 1.00 0.00 H new ATOM 256 N THR A 17 19.873 -1.549 -3.053 1.00 0.00 N ATOM 257 CA THR A 17 20.093 -0.166 -2.819 1.00 0.00 C ATOM 258 C THR A 17 21.301 0.282 -3.642 1.00 0.00 C ATOM 259 O THR A 17 21.288 1.357 -4.242 1.00 0.00 O ATOM 260 CB THR A 17 20.301 0.107 -1.281 1.00 0.00 C ATOM 261 OG1 THR A 17 20.353 1.516 -1.012 1.00 0.00 O ATOM 262 CG2 THR A 17 21.558 -0.591 -0.715 1.00 0.00 C ATOM 0 H THR A 17 19.920 -2.136 -2.220 1.00 0.00 H new ATOM 0 HA THR A 17 19.222 0.411 -3.129 1.00 0.00 H new ATOM 0 HB THR A 17 19.437 -0.322 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.481 1.661 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.651 -0.368 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.469 -1.669 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.442 -0.230 -1.240 1.00 0.00 H new ATOM 270 N ASP A 18 22.364 -0.522 -3.625 1.00 0.00 N ATOM 271 CA ASP A 18 23.500 -0.269 -4.459 1.00 0.00 C ATOM 272 C ASP A 18 23.615 -1.320 -5.541 1.00 0.00 C ATOM 273 O ASP A 18 24.501 -1.225 -6.399 1.00 0.00 O ATOM 274 CB ASP A 18 24.767 -0.244 -3.629 1.00 0.00 C ATOM 275 CG ASP A 18 24.754 0.864 -2.599 1.00 0.00 C ATOM 276 OD1 ASP A 18 24.583 2.034 -2.977 1.00 0.00 O ATOM 277 OD2 ASP A 18 24.924 0.562 -1.406 1.00 0.00 O ATOM 0 H ASP A 18 22.446 -1.351 -3.036 1.00 0.00 H new ATOM 0 HA ASP A 18 23.365 0.704 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.889 -1.203 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.627 -0.117 -4.286 1.00 0.00 H new ATOM 282 N GLU A 19 22.708 -2.314 -5.536 1.00 0.00 N ATOM 283 CA GLU A 19 22.930 -3.477 -6.369 1.00 0.00 C ATOM 284 C GLU A 19 21.707 -3.732 -7.195 1.00 0.00 C ATOM 285 O GLU A 19 20.981 -4.709 -7.016 1.00 0.00 O ATOM 286 CB GLU A 19 23.205 -4.677 -5.501 1.00 0.00 C ATOM 287 CG GLU A 19 24.403 -4.440 -4.639 1.00 0.00 C ATOM 288 CD GLU A 19 24.782 -5.607 -3.731 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.174 -6.677 -3.837 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.685 -5.430 -2.875 1.00 0.00 O ATOM 0 H GLU A 19 21.851 -2.326 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 19 23.785 -3.299 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.337 -4.887 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 19 23.368 -5.555 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.253 -4.206 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.219 -3.562 -4.020 1.00 0.00 H new ATOM 297 N PHE A 20 21.480 -2.824 -8.034 1.00 0.00 N ATOM 298 CA PHE A 20 20.392 -2.832 -8.963 1.00 0.00 C ATOM 299 C PHE A 20 20.512 -3.976 -9.987 1.00 0.00 C ATOM 300 O PHE A 20 19.508 -4.565 -10.389 1.00 0.00 O ATOM 301 CB PHE A 20 20.284 -1.476 -9.625 1.00 0.00 C ATOM 302 CG PHE A 20 19.871 -0.398 -8.651 1.00 0.00 C ATOM 303 CD1 PHE A 20 18.543 -0.174 -8.376 1.00 0.00 C ATOM 304 CD2 PHE A 20 20.824 0.390 -8.017 1.00 0.00 C ATOM 305 CE1 PHE A 20 18.164 0.815 -7.488 1.00 0.00 C ATOM 306 CE2 PHE A 20 20.452 1.381 -7.138 1.00 0.00 C ATOM 307 CZ PHE A 20 19.119 1.592 -6.871 1.00 0.00 C ATOM 0 H PHE A 20 22.069 -1.995 -8.116 1.00 0.00 H new ATOM 0 HA PHE A 20 19.468 -3.024 -8.417 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.244 -1.213 -10.070 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.559 -1.527 -10.437 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.788 -0.777 -8.859 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.872 0.222 -8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.117 0.979 -7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 20 21.204 1.991 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.822 2.366 -6.179 1.00 0.00 H new ATOM 317 N GLU A 21 21.736 -4.282 -10.416 1.00 0.00 N ATOM 318 CA GLU A 21 21.905 -5.224 -11.556 1.00 0.00 C ATOM 319 C GLU A 21 22.950 -6.293 -11.301 1.00 0.00 C ATOM 320 O GLU A 21 23.844 -6.102 -10.491 1.00 0.00 O ATOM 321 CB GLU A 21 22.324 -4.499 -12.818 1.00 0.00 C ATOM 322 CG GLU A 21 21.300 -3.578 -13.365 1.00 0.00 C ATOM 323 CD GLU A 21 21.796 -2.881 -14.597 1.00 0.00 C ATOM 324 OE1 GLU A 21 22.889 -3.235 -15.068 1.00 0.00 O ATOM 325 OE2 GLU A 21 21.094 -1.997 -15.097 1.00 0.00 O ATOM 0 H GLU A 21 22.602 -3.916 -10.020 1.00 0.00 H new ATOM 0 HA GLU A 21 20.927 -5.691 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.232 -3.932 -12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.575 -5.237 -13.580 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.394 -4.137 -13.600 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.032 -2.839 -12.610 1.00 0.00 H new ATOM 332 N PHE A 22 22.824 -7.436 -12.030 1.00 0.00 N ATOM 333 CA PHE A 22 23.783 -8.542 -11.942 1.00 0.00 C ATOM 334 C PHE A 22 23.914 -9.262 -13.313 1.00 0.00 C ATOM 335 O PHE A 22 23.043 -9.177 -14.135 1.00 0.00 O ATOM 336 CB PHE A 22 23.334 -9.538 -10.870 1.00 0.00 C ATOM 337 CG PHE A 22 23.357 -9.003 -9.457 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.512 -9.091 -8.705 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.225 -8.412 -8.887 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.564 -8.608 -7.413 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.271 -7.927 -7.590 1.00 0.00 C ATOM 342 CZ PHE A 22 23.445 -8.025 -6.854 1.00 0.00 C ATOM 0 H PHE A 22 22.059 -7.603 -12.684 1.00 0.00 H new ATOM 0 HA PHE A 22 24.757 -8.136 -11.669 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.321 -9.868 -11.102 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.975 -10.418 -10.921 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.391 -9.546 -9.136 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.312 -8.333 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.477 -8.686 -6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.395 -7.473 -7.151 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.482 -7.645 -5.844 1.00 0.00 H new ATOM 352 N PRO A 23 25.051 -9.934 -13.596 1.00 0.00 N ATOM 353 CA PRO A 23 25.228 -10.657 -14.873 1.00 0.00 C ATOM 354 C PRO A 23 24.125 -11.700 -15.184 1.00 0.00 C ATOM 355 O PRO A 23 23.685 -11.797 -16.317 1.00 0.00 O ATOM 356 CB PRO A 23 26.561 -11.385 -14.688 1.00 0.00 C ATOM 357 CG PRO A 23 27.306 -10.604 -13.657 1.00 0.00 C ATOM 358 CD PRO A 23 26.264 -9.984 -12.755 1.00 0.00 C ATOM 0 HA PRO A 23 25.186 -9.956 -15.706 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.404 -12.413 -14.363 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.117 -11.428 -15.624 1.00 0.00 H new ATOM 0 HG2 PRO A 23 27.976 -11.250 -13.090 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.923 -9.836 -14.123 1.00 0.00 H new ATOM 0 HD2 PRO A 23 26.104 -10.583 -11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.562 -8.989 -12.425 1.00 0.00 H new ATOM 366 N ILE A 24 23.690 -12.450 -14.143 1.00 0.00 N ATOM 367 CA ILE A 24 22.701 -13.565 -14.242 1.00 0.00 C ATOM 368 C ILE A 24 22.775 -14.475 -12.994 1.00 0.00 C ATOM 369 O ILE A 24 23.823 -14.588 -12.357 1.00 0.00 O ATOM 370 CB ILE A 24 22.883 -14.461 -15.549 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.898 -14.042 -16.653 1.00 0.00 C ATOM 372 CG2 ILE A 24 22.753 -15.947 -15.257 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.240 -14.597 -18.015 1.00 0.00 C ATOM 0 H ILE A 24 24.020 -12.299 -13.190 1.00 0.00 H new ATOM 0 HA ILE A 24 21.724 -13.086 -14.306 1.00 0.00 H new ATOM 0 HB ILE A 24 23.899 -14.288 -15.904 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.896 -14.371 -16.378 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.872 -12.954 -16.710 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.885 -16.512 -16.180 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.515 -16.244 -14.537 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.765 -16.152 -14.844 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.501 -14.259 -18.742 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.228 -14.247 -18.313 1.00 0.00 H new ATOM 0 HD13 ILE A 24 22.238 -15.686 -17.975 1.00 0.00 H new ATOM 385 N GLY A 25 21.642 -15.100 -12.637 1.00 0.00 N ATOM 386 CA GLY A 25 21.654 -16.123 -11.577 1.00 0.00 C ATOM 387 C GLY A 25 21.841 -15.604 -10.176 1.00 0.00 C ATOM 388 O GLY A 25 22.380 -16.318 -9.313 1.00 0.00 O ATOM 0 H GLY A 25 20.728 -14.923 -13.053 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.715 -16.675 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.452 -16.834 -11.792 1.00 0.00 H new ATOM 392 N THR A 26 21.425 -14.400 -9.934 1.00 0.00 N ATOM 393 CA THR A 26 21.596 -13.821 -8.632 1.00 0.00 C ATOM 394 C THR A 26 20.250 -13.679 -7.961 1.00 0.00 C ATOM 395 O THR A 26 19.312 -13.145 -8.547 1.00 0.00 O ATOM 396 CB THR A 26 22.244 -12.427 -8.740 1.00 0.00 C ATOM 397 OG1 THR A 26 23.530 -12.562 -9.363 1.00 0.00 O ATOM 398 CG2 THR A 26 22.430 -11.803 -7.349 1.00 0.00 C ATOM 0 H THR A 26 20.965 -13.798 -10.617 1.00 0.00 H new ATOM 0 HA THR A 26 22.243 -14.474 -8.047 1.00 0.00 H new ATOM 0 HB THR A 26 21.594 -11.781 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.077 -11.775 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 26 22.889 -10.820 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 26 21.460 -11.702 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.074 -12.444 -6.746 1.00 0.00 H new ATOM 406 N TYR A 27 20.160 -14.198 -6.753 1.00 0.00 N ATOM 407 CA TYR A 27 18.941 -14.121 -5.982 1.00 0.00 C ATOM 408 C TYR A 27 18.993 -12.912 -5.094 1.00 0.00 C ATOM 409 O TYR A 27 19.954 -12.698 -4.354 1.00 0.00 O ATOM 410 CB TYR A 27 18.790 -15.385 -5.118 1.00 0.00 C ATOM 411 CG TYR A 27 18.418 -16.656 -5.878 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.348 -17.348 -6.653 1.00 0.00 C ATOM 413 CD2 TYR A 27 17.133 -17.189 -5.768 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.000 -18.527 -7.311 1.00 0.00 C ATOM 415 CE2 TYR A 27 16.781 -18.359 -6.421 1.00 0.00 C ATOM 416 CZ TYR A 27 17.721 -19.022 -7.193 1.00 0.00 C ATOM 417 OH TYR A 27 17.383 -20.196 -7.839 1.00 0.00 O ATOM 0 H TYR A 27 20.925 -14.681 -6.283 1.00 0.00 H new ATOM 0 HA TYR A 27 18.089 -14.045 -6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 27 19.728 -15.558 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.028 -15.198 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.354 -16.965 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.399 -16.679 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.731 -19.050 -7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.779 -18.752 -6.329 1.00 0.00 H new ATOM 0 HH TYR A 27 16.445 -20.412 -7.655 1.00 0.00 H new ATOM 427 N LEU A 28 17.933 -12.150 -5.148 1.00 0.00 N ATOM 428 CA LEU A 28 17.805 -10.940 -4.377 1.00 0.00 C ATOM 429 C LEU A 28 16.876 -11.091 -3.231 1.00 0.00 C ATOM 430 O LEU A 28 15.793 -11.647 -3.350 1.00 0.00 O ATOM 431 CB LEU A 28 17.425 -9.708 -5.202 1.00 0.00 C ATOM 432 CG LEU A 28 18.565 -8.961 -5.920 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.289 -9.835 -6.901 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.030 -7.699 -6.583 1.00 0.00 C ATOM 0 H LEU A 28 17.124 -12.354 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 28 18.809 -10.765 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.698 -10.016 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.922 -9.002 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 28 19.300 -8.673 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.083 -9.263 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 28 19.721 -10.688 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.589 -10.190 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.845 -7.179 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.265 -7.967 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.597 -7.046 -5.826 1.00 0.00 H new ATOM 446 N ASN A 29 17.318 -10.589 -2.114 1.00 0.00 N ATOM 447 CA ASN A 29 16.587 -10.634 -0.912 1.00 0.00 C ATOM 448 C ASN A 29 15.649 -9.474 -0.846 1.00 0.00 C ATOM 449 O ASN A 29 16.054 -8.335 -0.643 1.00 0.00 O ATOM 450 CB ASN A 29 17.545 -10.543 0.285 1.00 0.00 C ATOM 451 CG ASN A 29 16.898 -10.991 1.579 1.00 0.00 C ATOM 452 OD1 ASN A 29 16.095 -11.929 1.589 1.00 0.00 O ATOM 453 ND2 ASN A 29 17.221 -10.299 2.673 1.00 0.00 N ATOM 0 H ASN A 29 18.224 -10.128 -2.028 1.00 0.00 H new ATOM 0 HA ASN A 29 16.031 -11.571 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 29 18.424 -11.157 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.891 -9.515 0.392 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.798 -10.537 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.891 -9.532 2.612 1.00 0.00 H new ATOM 460 N TYR A 30 14.411 -9.786 -1.027 1.00 0.00 N ATOM 461 CA TYR A 30 13.324 -8.854 -0.865 1.00 0.00 C ATOM 462 C TYR A 30 12.559 -9.149 0.400 1.00 0.00 C ATOM 463 O TYR A 30 12.182 -10.295 0.660 1.00 0.00 O ATOM 464 CB TYR A 30 12.370 -8.883 -2.072 1.00 0.00 C ATOM 465 CG TYR A 30 12.823 -8.091 -3.283 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.113 -8.145 -3.766 1.00 0.00 C ATOM 467 CD2 TYR A 30 11.915 -7.257 -3.933 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.490 -7.375 -4.872 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.274 -6.507 -5.024 1.00 0.00 C ATOM 470 CZ TYR A 30 13.553 -6.562 -5.494 1.00 0.00 C ATOM 471 OH TYR A 30 13.908 -5.791 -6.586 1.00 0.00 O ATOM 0 H TYR A 30 14.108 -10.721 -1.300 1.00 0.00 H new ATOM 0 HA TYR A 30 13.756 -7.856 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.224 -9.921 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.399 -8.504 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 30 14.838 -8.786 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 30 10.900 -7.200 -3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.505 -7.413 -5.240 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.546 -5.875 -5.510 1.00 0.00 H new ATOM 0 HH TYR A 30 13.128 -5.285 -6.896 1.00 0.00 H new ATOM 481 N GLU A 31 12.316 -8.108 1.169 1.00 0.00 N ATOM 482 CA GLU A 31 11.609 -8.217 2.424 1.00 0.00 C ATOM 483 C GLU A 31 10.443 -7.248 2.410 1.00 0.00 C ATOM 484 O GLU A 31 10.542 -6.149 1.846 1.00 0.00 O ATOM 485 CB GLU A 31 12.551 -7.913 3.600 1.00 0.00 C ATOM 486 CG GLU A 31 13.650 -8.966 3.790 1.00 0.00 C ATOM 487 CD GLU A 31 14.635 -8.624 4.904 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.467 -7.568 5.550 1.00 0.00 O ATOM 489 OE2 GLU A 31 15.576 -9.423 5.148 1.00 0.00 O ATOM 0 H GLU A 31 12.606 -7.158 0.938 1.00 0.00 H new ATOM 0 HA GLU A 31 11.238 -9.234 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.015 -6.939 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.965 -7.842 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.186 -9.928 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.197 -9.081 2.855 1.00 0.00 H new ATOM 496 N CYS A 32 9.354 -7.640 3.006 1.00 0.00 N ATOM 497 CA CYS A 32 8.138 -6.853 2.965 1.00 0.00 C ATOM 498 C CYS A 32 8.021 -5.907 4.144 1.00 0.00 C ATOM 499 O CYS A 32 8.461 -6.212 5.261 1.00 0.00 O ATOM 500 CB CYS A 32 6.924 -7.772 2.950 1.00 0.00 C ATOM 501 SG CYS A 32 6.819 -8.839 1.479 1.00 0.00 S ATOM 0 H CYS A 32 9.275 -8.509 3.534 1.00 0.00 H new ATOM 0 HA CYS A 32 8.178 -6.255 2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.946 -8.400 3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.021 -7.165 3.010 1.00 0.00 H new ATOM 506 N ARG A 33 7.446 -4.745 3.878 1.00 0.00 N ATOM 507 CA ARG A 33 7.178 -3.746 4.921 1.00 0.00 C ATOM 508 C ARG A 33 6.099 -4.288 5.893 1.00 0.00 C ATOM 509 O ARG A 33 5.429 -5.276 5.583 1.00 0.00 O ATOM 510 CB ARG A 33 6.685 -2.440 4.273 1.00 0.00 C ATOM 511 CG ARG A 33 7.764 -1.642 3.557 1.00 0.00 C ATOM 512 CD ARG A 33 7.174 -0.411 2.861 1.00 0.00 C ATOM 513 NE ARG A 33 8.206 0.601 2.547 1.00 0.00 N ATOM 514 CZ ARG A 33 9.127 0.493 1.562 1.00 0.00 C ATOM 515 NH1 ARG A 33 9.136 -0.582 0.758 1.00 0.00 N ATOM 516 NH2 ARG A 33 10.018 1.455 1.378 1.00 0.00 N ATOM 0 H ARG A 33 7.151 -4.461 2.944 1.00 0.00 H new ATOM 0 HA ARG A 33 8.095 -3.547 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.895 -2.679 3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.239 -1.813 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.524 -1.329 4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.261 -2.275 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.678 -0.719 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.412 0.035 3.500 1.00 0.00 H new ATOM 0 HE ARG A 33 8.225 1.446 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.446 -1.322 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.832 -0.659 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.011 2.279 1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.712 1.372 0.635 1.00 0.00 H new ATOM 530 N PRO A 34 5.911 -3.646 7.075 1.00 0.00 N ATOM 531 CA PRO A 34 4.888 -4.071 8.019 1.00 0.00 C ATOM 532 C PRO A 34 3.495 -3.943 7.402 1.00 0.00 C ATOM 533 O PRO A 34 3.223 -3.024 6.619 1.00 0.00 O ATOM 534 CB PRO A 34 5.050 -3.107 9.214 1.00 0.00 C ATOM 535 CG PRO A 34 6.406 -2.492 9.044 1.00 0.00 C ATOM 536 CD PRO A 34 6.684 -2.488 7.572 1.00 0.00 C ATOM 0 HA PRO A 34 4.996 -5.116 8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.270 -2.346 9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.976 -3.640 10.162 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.427 -1.479 9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.163 -3.064 9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.360 -1.558 7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.748 -2.596 7.364 1.00 0.00 H new ATOM 544 N GLY A 35 2.627 -4.862 7.760 1.00 0.00 N ATOM 545 CA GLY A 35 1.296 -4.879 7.196 1.00 0.00 C ATOM 546 C GLY A 35 1.219 -5.709 5.927 1.00 0.00 C ATOM 547 O GLY A 35 0.176 -5.756 5.270 1.00 0.00 O ATOM 0 H GLY A 35 2.817 -5.603 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.597 -5.278 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.982 -3.858 6.979 1.00 0.00 H new ATOM 551 N TYR A 36 2.319 -6.346 5.574 1.00 0.00 N ATOM 552 CA TYR A 36 2.340 -7.221 4.434 1.00 0.00 C ATOM 553 C TYR A 36 2.473 -8.694 4.834 1.00 0.00 C ATOM 554 O TYR A 36 3.315 -9.081 5.632 1.00 0.00 O ATOM 555 CB TYR A 36 3.405 -6.792 3.428 1.00 0.00 C ATOM 556 CG TYR A 36 3.071 -5.484 2.721 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.245 -5.501 1.602 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.563 -4.262 3.148 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.915 -4.343 0.926 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.238 -3.088 2.478 1.00 0.00 C ATOM 561 CZ TYR A 36 2.412 -3.136 1.368 1.00 0.00 C ATOM 562 OH TYR A 36 2.083 -1.972 0.706 1.00 0.00 O ATOM 0 H TYR A 36 3.209 -6.269 6.067 1.00 0.00 H new ATOM 0 HA TYR A 36 1.374 -7.131 3.938 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.360 -6.686 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.530 -7.578 2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.852 -6.444 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.208 -4.220 4.013 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.273 -4.383 0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.629 -2.142 2.822 1.00 0.00 H new ATOM 0 HH TYR A 36 2.870 -1.391 0.656 1.00 0.00 H new ATOM 572 N SER A 37 1.593 -9.485 4.261 1.00 0.00 N ATOM 573 CA SER A 37 1.474 -10.929 4.521 1.00 0.00 C ATOM 574 C SER A 37 2.735 -11.694 4.139 1.00 0.00 C ATOM 575 O SER A 37 3.145 -12.629 4.824 1.00 0.00 O ATOM 576 CB SER A 37 0.278 -11.506 3.779 1.00 0.00 C ATOM 577 OG SER A 37 -0.906 -10.808 4.103 1.00 0.00 O ATOM 0 H SER A 37 0.914 -9.145 3.579 1.00 0.00 H new ATOM 0 HA SER A 37 1.330 -11.046 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.453 -11.453 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.163 -12.560 4.032 1.00 0.00 H new ATOM 0 HG SER A 37 -1.660 -11.197 3.612 1.00 0.00 H new ATOM 583 N GLY A 38 3.310 -11.323 3.021 1.00 0.00 N ATOM 584 CA GLY A 38 4.457 -12.048 2.486 1.00 0.00 C ATOM 585 C GLY A 38 5.711 -11.908 3.329 1.00 0.00 C ATOM 586 O GLY A 38 5.923 -10.894 3.986 1.00 0.00 O ATOM 0 H GLY A 38 3.010 -10.527 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.202 -13.104 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.665 -11.689 1.478 1.00 0.00 H new ATOM 590 N ARG A 39 6.519 -12.938 3.311 1.00 0.00 N ATOM 591 CA ARG A 39 7.792 -12.955 4.007 1.00 0.00 C ATOM 592 C ARG A 39 8.890 -12.816 2.912 1.00 0.00 C ATOM 593 O ARG A 39 8.527 -12.465 1.783 1.00 0.00 O ATOM 594 CB ARG A 39 7.887 -14.256 4.844 1.00 0.00 C ATOM 595 CG ARG A 39 8.389 -14.045 6.293 1.00 0.00 C ATOM 596 CD ARG A 39 7.671 -12.896 6.993 1.00 0.00 C ATOM 597 NE ARG A 39 6.202 -13.076 7.001 1.00 0.00 N ATOM 598 CZ ARG A 39 5.328 -12.199 7.521 1.00 0.00 C ATOM 599 NH1 ARG A 39 5.748 -11.097 8.130 1.00 0.00 N ATOM 600 NH2 ARG A 39 4.030 -12.441 7.435 1.00 0.00 N ATOM 0 H ARG A 39 6.314 -13.801 2.808 1.00 0.00 H new ATOM 0 HA ARG A 39 7.915 -12.138 4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.904 -14.726 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.556 -14.952 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.243 -14.963 6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.461 -13.846 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.031 -12.816 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.918 -11.958 6.495 1.00 0.00 H new ATOM 0 HE ARG A 39 5.827 -13.927 6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.747 -10.907 8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.072 -10.440 8.520 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.699 -13.289 6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.361 -11.779 7.828 1.00 0.00 H new ATOM 614 N PRO A 40 10.216 -13.041 3.152 1.00 0.00 N ATOM 615 CA PRO A 40 11.195 -12.775 2.094 1.00 0.00 C ATOM 616 C PRO A 40 11.022 -13.626 0.818 1.00 0.00 C ATOM 617 O PRO A 40 10.718 -14.829 0.866 1.00 0.00 O ATOM 618 CB PRO A 40 12.555 -13.042 2.748 1.00 0.00 C ATOM 619 CG PRO A 40 12.262 -13.931 3.899 1.00 0.00 C ATOM 620 CD PRO A 40 10.867 -13.553 4.372 1.00 0.00 C ATOM 0 HA PRO A 40 11.074 -11.754 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.243 -13.517 2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.024 -12.114 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.304 -14.979 3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.995 -13.795 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.335 -14.412 4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.900 -12.797 5.156 1.00 0.00 H new ATOM 628 N PHE A 41 11.276 -12.978 -0.289 1.00 0.00 N ATOM 629 CA PHE A 41 11.183 -13.521 -1.623 1.00 0.00 C ATOM 630 C PHE A 41 12.397 -13.160 -2.413 1.00 0.00 C ATOM 631 O PHE A 41 13.076 -12.179 -2.097 1.00 0.00 O ATOM 632 CB PHE A 41 9.948 -13.042 -2.363 1.00 0.00 C ATOM 633 CG PHE A 41 8.653 -13.537 -1.835 1.00 0.00 C ATOM 634 CD1 PHE A 41 8.243 -14.826 -2.118 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.837 -12.732 -1.077 1.00 0.00 C ATOM 636 CE1 PHE A 41 7.045 -15.303 -1.641 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.634 -13.203 -0.598 1.00 0.00 C ATOM 638 CZ PHE A 41 6.235 -14.481 -0.881 1.00 0.00 C ATOM 0 H PHE A 41 11.570 -12.001 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 41 11.109 -14.603 -1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.935 -11.952 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.033 -13.342 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.871 -15.466 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.142 -11.720 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.738 -16.315 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.005 -12.562 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.289 -14.847 -0.511 1.00 0.00 H new ATOM 648 N SER A 42 12.696 -13.923 -3.440 1.00 0.00 N ATOM 649 CA SER A 42 13.835 -13.600 -4.217 1.00 0.00 C ATOM 650 C SER A 42 13.478 -13.473 -5.708 1.00 0.00 C ATOM 651 O SER A 42 12.542 -14.110 -6.203 1.00 0.00 O ATOM 652 CB SER A 42 14.871 -14.699 -4.033 1.00 0.00 C ATOM 653 OG SER A 42 15.217 -14.848 -2.660 1.00 0.00 O ATOM 0 H SER A 42 12.173 -14.746 -3.738 1.00 0.00 H new ATOM 0 HA SER A 42 14.229 -12.639 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.480 -15.641 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.763 -14.464 -4.613 1.00 0.00 H new ATOM 0 HG SER A 42 15.883 -15.561 -2.566 1.00 0.00 H new ATOM 659 N ILE A 43 14.228 -12.628 -6.383 1.00 0.00 N ATOM 660 CA ILE A 43 14.126 -12.399 -7.823 1.00 0.00 C ATOM 661 C ILE A 43 15.450 -12.758 -8.458 1.00 0.00 C ATOM 662 O ILE A 43 16.484 -12.354 -7.963 1.00 0.00 O ATOM 663 CB ILE A 43 13.720 -10.939 -8.187 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.713 -9.900 -7.648 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.317 -10.635 -7.711 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.433 -8.497 -8.157 1.00 0.00 C ATOM 0 H ILE A 43 14.950 -12.061 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 43 13.327 -13.032 -8.210 1.00 0.00 H new ATOM 0 HB ILE A 43 13.744 -10.868 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.676 -9.900 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.725 -10.189 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.057 -9.610 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.615 -11.322 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.266 -10.753 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.167 -7.806 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.498 -8.485 -9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.433 -8.191 -7.850 1.00 0.00 H new ATOM 678 N ILE A 44 15.421 -13.574 -9.494 1.00 0.00 N ATOM 679 CA ILE A 44 16.652 -14.071 -10.112 1.00 0.00 C ATOM 680 C ILE A 44 16.713 -13.647 -11.583 1.00 0.00 C ATOM 681 O ILE A 44 15.739 -13.805 -12.278 1.00 0.00 O ATOM 682 CB ILE A 44 16.771 -15.608 -10.037 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.287 -16.111 -8.694 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.233 -15.994 -10.187 1.00 0.00 C ATOM 685 CD1 ILE A 44 14.818 -16.497 -8.675 1.00 0.00 C ATOM 0 H ILE A 44 14.563 -13.911 -9.931 1.00 0.00 H new ATOM 0 HA ILE A 44 17.480 -13.637 -9.552 1.00 0.00 H new ATOM 0 HB ILE A 44 16.165 -16.047 -10.830 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.884 -16.976 -8.404 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.460 -15.339 -7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.330 -17.078 -10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.606 -15.641 -11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 44 18.814 -15.539 -9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.547 -16.847 -7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.210 -15.629 -8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.641 -17.292 -9.400 1.00 0.00 H new ATOM 697 N CYS A 45 17.836 -13.054 -12.021 1.00 0.00 N ATOM 698 CA CYS A 45 18.003 -12.631 -13.444 1.00 0.00 C ATOM 699 C CYS A 45 18.036 -13.848 -14.373 1.00 0.00 C ATOM 700 O CYS A 45 19.087 -14.251 -14.855 1.00 0.00 O ATOM 701 CB CYS A 45 19.292 -11.822 -13.608 1.00 0.00 C ATOM 702 SG CYS A 45 19.350 -10.332 -12.576 1.00 0.00 S ATOM 0 H CYS A 45 18.640 -12.853 -11.427 1.00 0.00 H new ATOM 0 HA CYS A 45 17.150 -12.008 -13.715 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.143 -12.457 -13.363 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.400 -11.534 -14.654 1.00 0.00 H new ATOM 707 N LEU A 46 16.879 -14.474 -14.521 1.00 0.00 N ATOM 708 CA LEU A 46 16.743 -15.660 -15.325 1.00 0.00 C ATOM 709 C LEU A 46 16.166 -15.355 -16.697 1.00 0.00 C ATOM 710 O LEU A 46 16.791 -15.612 -17.723 1.00 0.00 O ATOM 711 CB LEU A 46 15.800 -16.612 -14.622 1.00 0.00 C ATOM 712 CG LEU A 46 16.227 -17.066 -13.245 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.157 -17.928 -12.628 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.551 -17.816 -13.293 1.00 0.00 C ATOM 0 H LEU A 46 16.011 -14.167 -14.083 1.00 0.00 H new ATOM 0 HA LEU A 46 17.735 -16.092 -15.456 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.825 -16.132 -14.539 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.669 -17.493 -15.250 1.00 0.00 H new ATOM 0 HG LEU A 46 16.370 -16.180 -12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.475 -18.249 -11.636 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.232 -17.357 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.988 -18.803 -13.256 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.829 -18.128 -12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.449 -18.694 -13.930 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.325 -17.163 -13.697 1.00 0.00 H new ATOM 726 N LYS A 47 14.955 -14.742 -16.693 1.00 0.00 N ATOM 727 CA LYS A 47 14.208 -14.561 -17.908 1.00 0.00 C ATOM 728 C LYS A 47 14.695 -13.402 -18.697 1.00 0.00 C ATOM 729 O LYS A 47 14.736 -12.293 -18.215 1.00 0.00 O ATOM 730 CB LYS A 47 12.731 -14.434 -17.611 1.00 0.00 C ATOM 731 CG LYS A 47 11.914 -14.265 -18.871 1.00 0.00 C ATOM 732 CD LYS A 47 10.527 -14.703 -18.628 1.00 0.00 C ATOM 733 CE LYS A 47 10.569 -16.236 -18.613 1.00 0.00 C ATOM 734 NZ LYS A 47 9.239 -16.884 -18.390 1.00 0.00 N ATOM 0 H LYS A 47 14.500 -14.377 -15.856 1.00 0.00 H new ATOM 0 HA LYS A 47 14.363 -15.449 -18.521 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.391 -15.320 -17.075 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.565 -13.580 -16.954 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.926 -13.222 -19.186 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.353 -14.848 -19.681 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.154 -14.313 -17.681 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.859 -14.338 -19.408 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.977 -16.586 -19.561 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.255 -16.562 -17.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.352 -17.918 -18.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.855 -16.581 -17.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.585 -16.605 -19.149 1.00 0.00 H new ATOM 748 N ASN A 48 15.083 -13.704 -19.939 1.00 0.00 N ATOM 749 CA ASN A 48 15.617 -12.721 -20.877 1.00 0.00 C ATOM 750 C ASN A 48 16.802 -12.004 -20.229 1.00 0.00 C ATOM 751 O ASN A 48 17.064 -10.842 -20.526 1.00 0.00 O ATOM 752 CB ASN A 48 14.523 -11.696 -21.228 1.00 0.00 C ATOM 753 CG ASN A 48 13.404 -12.257 -22.118 1.00 0.00 C ATOM 754 OD1 ASN A 48 13.695 -13.313 -22.874 1.00 0.00 O flip ATOM 755 ND2 ASN A 48 12.281 -11.745 -22.108 1.00 0.00 N flip ATOM 0 H ASN A 48 15.034 -14.648 -20.322 1.00 0.00 H new ATOM 0 HA ASN A 48 15.944 -13.222 -21.788 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.084 -11.318 -20.305 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.984 -10.847 -21.733 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.095 -10.936 -21.515 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.539 -12.131 -22.692 1.00 0.00 H new ATOM 762 N SER A 49 17.551 -12.740 -19.389 1.00 0.00 N ATOM 763 CA SER A 49 18.663 -12.184 -18.593 1.00 0.00 C ATOM 764 C SER A 49 18.204 -10.987 -17.726 1.00 0.00 C ATOM 765 O SER A 49 19.031 -10.258 -17.171 1.00 0.00 O ATOM 766 CB SER A 49 19.799 -11.751 -19.502 1.00 0.00 C ATOM 767 OG SER A 49 19.976 -12.682 -20.570 1.00 0.00 O ATOM 0 H SER A 49 17.403 -13.738 -19.242 1.00 0.00 H new ATOM 0 HA SER A 49 19.011 -12.972 -17.925 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.589 -10.761 -19.907 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.721 -11.671 -18.926 1.00 0.00 H new ATOM 0 HG SER A 49 20.711 -12.384 -21.145 1.00 0.00 H new ATOM 773 N VAL A 50 16.875 -10.800 -17.593 1.00 0.00 N ATOM 774 CA VAL A 50 16.332 -9.682 -16.839 1.00 0.00 C ATOM 775 C VAL A 50 15.978 -10.125 -15.416 1.00 0.00 C ATOM 776 O VAL A 50 16.850 -10.152 -14.566 1.00 0.00 O ATOM 777 CB VAL A 50 15.075 -9.035 -17.547 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.533 -7.847 -16.759 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.414 -8.609 -18.957 1.00 0.00 C ATOM 0 H VAL A 50 16.170 -11.414 -18.002 1.00 0.00 H new ATOM 0 HA VAL A 50 17.104 -8.914 -16.795 1.00 0.00 H new ATOM 0 HB VAL A 50 14.298 -9.798 -17.584 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.670 -7.430 -17.278 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.234 -8.176 -15.764 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.307 -7.085 -16.672 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.534 -8.167 -19.425 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.219 -7.875 -18.932 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.733 -9.478 -19.533 1.00 0.00 H new ATOM 789 N TRP A 51 14.708 -10.527 -15.164 1.00 0.00 N ATOM 790 CA TRP A 51 14.290 -10.997 -13.820 1.00 0.00 C ATOM 791 C TRP A 51 13.223 -12.062 -13.877 1.00 0.00 C ATOM 792 O TRP A 51 12.532 -12.206 -14.867 1.00 0.00 O ATOM 793 CB TRP A 51 13.834 -9.835 -12.900 1.00 0.00 C ATOM 794 CG TRP A 51 14.957 -8.919 -12.548 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.214 -7.705 -13.083 1.00 0.00 C ATOM 796 CD2 TRP A 51 15.978 -9.167 -11.598 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.359 -7.179 -12.540 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.846 -8.059 -11.613 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.246 -10.218 -10.732 1.00 0.00 C ATOM 800 CZ2 TRP A 51 17.983 -7.987 -10.795 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.365 -10.144 -9.915 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.215 -9.037 -9.952 1.00 0.00 C ATOM 0 H TRP A 51 13.965 -10.536 -15.863 1.00 0.00 H new ATOM 0 HA TRP A 51 15.184 -11.444 -13.385 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.047 -9.268 -13.397 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.402 -10.245 -11.987 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.605 -7.218 -13.831 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.777 -6.282 -12.786 1.00 0.00 H new ATOM 0 HE3 TRP A 51 15.595 -11.079 -10.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.648 -7.137 -10.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 17.582 -10.957 -9.238 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.075 -9.010 -9.300 1.00 0.00 H new ATOM 813 N THR A 52 13.150 -12.839 -12.806 1.00 0.00 N ATOM 814 CA THR A 52 12.141 -13.853 -12.627 1.00 0.00 C ATOM 815 C THR A 52 10.716 -13.284 -12.565 1.00 0.00 C ATOM 816 O THR A 52 9.804 -13.849 -13.152 1.00 0.00 O ATOM 817 CB THR A 52 12.446 -14.794 -11.421 1.00 0.00 C ATOM 818 OG1 THR A 52 11.962 -16.115 -11.699 1.00 0.00 O ATOM 819 CG2 THR A 52 11.873 -14.263 -10.094 1.00 0.00 C ATOM 0 H THR A 52 13.806 -12.775 -12.027 1.00 0.00 H new ATOM 0 HA THR A 52 12.183 -14.467 -13.527 1.00 0.00 H new ATOM 0 HB THR A 52 13.528 -14.826 -11.295 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.158 -16.702 -10.939 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.115 -14.957 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.307 -13.288 -9.875 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.790 -14.168 -10.177 1.00 0.00 H new ATOM 827 N GLY A 53 10.534 -12.187 -11.833 1.00 0.00 N ATOM 828 CA GLY A 53 9.208 -11.616 -11.674 1.00 0.00 C ATOM 829 C GLY A 53 8.997 -11.075 -10.282 1.00 0.00 C ATOM 830 O GLY A 53 8.702 -11.825 -9.335 1.00 0.00 O ATOM 0 H GLY A 53 11.279 -11.685 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.067 -10.816 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.456 -12.376 -11.887 1.00 0.00 H new ATOM 834 N ALA A 54 9.127 -9.784 -10.154 1.00 0.00 N ATOM 835 CA ALA A 54 8.967 -9.114 -8.901 1.00 0.00 C ATOM 836 C ALA A 54 7.631 -8.396 -8.851 1.00 0.00 C ATOM 837 O ALA A 54 7.573 -7.170 -8.905 1.00 0.00 O ATOM 838 CB ALA A 54 10.108 -8.117 -8.692 1.00 0.00 C ATOM 0 H ALA A 54 9.350 -9.162 -10.931 1.00 0.00 H new ATOM 0 HA ALA A 54 8.992 -9.856 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.978 -7.611 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.060 -8.648 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.100 -7.381 -9.496 1.00 0.00 H new ATOM 844 N LYS A 55 6.556 -9.164 -8.768 1.00 0.00 N ATOM 845 CA LYS A 55 5.229 -8.565 -8.677 1.00 0.00 C ATOM 846 C LYS A 55 4.389 -9.370 -7.681 1.00 0.00 C ATOM 847 O LYS A 55 4.641 -10.567 -7.475 1.00 0.00 O ATOM 848 CB LYS A 55 4.485 -8.639 -9.995 1.00 0.00 C ATOM 849 CG LYS A 55 4.032 -10.033 -10.302 1.00 0.00 C ATOM 850 CD LYS A 55 3.283 -10.156 -11.595 1.00 0.00 C ATOM 851 CE LYS A 55 2.862 -11.581 -11.730 1.00 0.00 C ATOM 852 NZ LYS A 55 2.068 -11.853 -12.962 1.00 0.00 N ATOM 0 H LYS A 55 6.571 -10.184 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 55 5.366 -7.525 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.621 -7.975 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.131 -8.282 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.902 -10.689 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.396 -10.385 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.415 -9.497 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.913 -9.860 -12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.749 -12.215 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.272 -11.861 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.809 -12.860 -12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.205 -11.273 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.636 -11.616 -13.800 1.00 0.00 H new ATOM 866 N ASP A 56 3.421 -8.702 -7.059 1.00 0.00 N ATOM 867 CA ASP A 56 2.442 -9.330 -6.108 1.00 0.00 C ATOM 868 C ASP A 56 3.167 -10.095 -4.982 1.00 0.00 C ATOM 869 O ASP A 56 2.578 -10.927 -4.296 1.00 0.00 O ATOM 870 CB ASP A 56 1.534 -10.299 -6.929 1.00 0.00 C ATOM 871 CG ASP A 56 0.318 -10.816 -6.173 1.00 0.00 C ATOM 872 OD1 ASP A 56 -0.469 -10.000 -5.681 1.00 0.00 O ATOM 873 OD2 ASP A 56 0.144 -12.061 -6.100 1.00 0.00 O ATOM 0 H ASP A 56 3.273 -7.701 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 56 1.842 -8.554 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.195 -9.785 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.133 -11.150 -7.254 1.00 0.00 H new ATOM 878 N ARG A 57 4.443 -9.773 -4.796 1.00 0.00 N ATOM 879 CA ARG A 57 5.283 -10.501 -3.853 1.00 0.00 C ATOM 880 C ARG A 57 4.818 -10.298 -2.372 1.00 0.00 C ATOM 881 O ARG A 57 4.798 -11.237 -1.588 1.00 0.00 O ATOM 882 CB ARG A 57 6.771 -10.126 -4.026 1.00 0.00 C ATOM 883 CG ARG A 57 7.287 -10.428 -5.443 1.00 0.00 C ATOM 884 CD ARG A 57 7.205 -11.908 -5.843 1.00 0.00 C ATOM 885 NE ARG A 57 8.134 -12.816 -5.181 1.00 0.00 N ATOM 886 CZ ARG A 57 9.274 -13.263 -5.747 1.00 0.00 C ATOM 887 NH1 ARG A 57 9.696 -12.752 -6.900 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.978 -14.235 -5.171 1.00 0.00 N ATOM 0 H ARG A 57 4.917 -9.014 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 57 5.173 -11.561 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.904 -9.066 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.369 -10.675 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.715 -9.838 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.324 -10.101 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.191 -12.257 -5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.367 -11.980 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 57 7.909 -13.131 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.157 -12.019 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.559 -13.093 -7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.656 -14.647 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.839 -14.567 -5.605 1.00 0.00 H new ATOM 902 N CYS A 58 4.414 -9.064 -2.033 1.00 0.00 N ATOM 903 CA CYS A 58 3.964 -8.706 -0.672 1.00 0.00 C ATOM 904 C CYS A 58 2.506 -8.427 -0.757 1.00 0.00 C ATOM 905 O CYS A 58 2.026 -7.953 -1.799 1.00 0.00 O ATOM 906 CB CYS A 58 4.643 -7.446 -0.198 1.00 0.00 C ATOM 907 SG CYS A 58 6.462 -7.547 -0.046 1.00 0.00 S ATOM 0 H CYS A 58 4.389 -8.285 -2.691 1.00 0.00 H new ATOM 0 HA CYS A 58 4.198 -9.517 0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.397 -6.639 -0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.229 -7.173 0.772 1.00 0.00 H new ATOM 912 N ARG A 59 1.785 -8.683 0.307 1.00 0.00 N ATOM 913 CA ARG A 59 0.364 -8.594 0.226 1.00 0.00 C ATOM 914 C ARG A 59 -0.181 -7.703 1.342 1.00 0.00 C ATOM 915 O ARG A 59 0.317 -7.732 2.453 1.00 0.00 O ATOM 916 CB ARG A 59 -0.144 -10.017 0.320 1.00 0.00 C ATOM 917 CG ARG A 59 0.354 -10.866 -0.855 1.00 0.00 C ATOM 918 CD ARG A 59 -0.047 -12.317 -0.750 1.00 0.00 C ATOM 919 NE ARG A 59 -1.499 -12.501 -0.828 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.170 -12.641 -1.997 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.530 -12.501 -3.174 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.462 -12.901 -1.991 1.00 0.00 N ATOM 0 H ARG A 59 2.157 -8.949 1.219 1.00 0.00 H new ATOM 0 HA ARG A 59 0.031 -8.134 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.187 -10.462 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.234 -10.016 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.038 -10.454 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.441 -10.799 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.432 -12.883 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.318 -12.725 0.192 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.031 -12.525 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.533 -12.288 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.043 -12.608 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.959 -12.997 -1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.965 -13.006 -2.872 1.00 0.00 H new ATOM 936 N ARG A 60 -1.226 -6.949 1.030 1.00 0.00 N ATOM 937 CA ARG A 60 -1.832 -5.994 1.953 1.00 0.00 C ATOM 938 C ARG A 60 -3.269 -6.368 2.307 1.00 0.00 C ATOM 939 O ARG A 60 -3.992 -6.963 1.516 1.00 0.00 O ATOM 940 CB ARG A 60 -1.826 -4.605 1.322 1.00 0.00 C ATOM 941 CG ARG A 60 -2.542 -4.596 -0.017 1.00 0.00 C ATOM 942 CD ARG A 60 -2.648 -3.212 -0.617 1.00 0.00 C ATOM 943 NE ARG A 60 -1.340 -2.622 -0.900 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.179 -1.379 -1.361 1.00 0.00 C ATOM 945 NH1 ARG A 60 -2.173 -0.777 -1.982 1.00 0.00 N ATOM 946 NH2 ARG A 60 -0.008 -0.777 -1.263 1.00 0.00 N ATOM 0 H ARG A 60 -1.683 -6.982 0.119 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.243 -6.007 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.306 -3.896 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.797 -4.270 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.012 -5.248 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.542 -5.010 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.227 -3.263 -1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.195 -2.564 0.068 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.508 -3.189 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.062 -1.260 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.053 0.172 -2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.780 -1.261 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.109 0.172 -1.617 1.00 0.00 H new ATOM 960 N LYS A 61 -3.631 -6.017 3.514 1.00 0.00 N ATOM 961 CA LYS A 61 -4.923 -6.300 4.111 1.00 0.00 C ATOM 962 C LYS A 61 -6.011 -5.349 3.636 1.00 0.00 C ATOM 963 O LYS A 61 -5.770 -4.156 3.440 1.00 0.00 O ATOM 964 CB LYS A 61 -4.785 -6.326 5.636 1.00 0.00 C ATOM 965 CG LYS A 61 -5.835 -7.166 6.366 1.00 0.00 C ATOM 966 CD LYS A 61 -7.180 -6.451 6.432 1.00 0.00 C ATOM 967 CE LYS A 61 -8.231 -7.278 7.109 1.00 0.00 C ATOM 968 NZ LYS A 61 -9.531 -6.566 7.206 1.00 0.00 N ATOM 0 H LYS A 61 -3.010 -5.503 4.140 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.248 -7.285 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.796 -6.707 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.837 -5.303 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.955 -8.122 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.489 -7.385 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.062 -5.509 6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.509 -6.206 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.369 -8.209 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.891 -7.547 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.306 -7.229 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.647 -6.184 8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.552 -5.786 6.519 1.00 0.00 H new ATOM 982 N SER A 62 -7.181 -5.912 3.387 1.00 0.00 N ATOM 983 CA SER A 62 -8.315 -5.164 2.891 1.00 0.00 C ATOM 984 C SER A 62 -8.908 -4.197 3.945 1.00 0.00 C ATOM 985 O SER A 62 -9.062 -4.535 5.111 1.00 0.00 O ATOM 986 CB SER A 62 -9.420 -6.116 2.408 1.00 0.00 C ATOM 987 OG SER A 62 -10.547 -5.407 1.899 1.00 0.00 O ATOM 0 H SER A 62 -7.368 -6.905 3.525 1.00 0.00 H new ATOM 0 HA SER A 62 -7.943 -4.564 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.022 -6.770 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.735 -6.755 3.233 1.00 0.00 H new ATOM 0 HG SER A 62 -11.228 -6.046 1.600 1.00 0.00 H new ATOM 993 N CYS A 63 -9.309 -3.046 3.459 1.00 0.00 N ATOM 994 CA CYS A 63 -9.976 -2.001 4.230 1.00 0.00 C ATOM 995 C CYS A 63 -11.466 -2.153 4.032 1.00 0.00 C ATOM 996 O CYS A 63 -11.919 -2.677 3.015 1.00 0.00 O ATOM 997 CB CYS A 63 -9.486 -0.637 3.714 1.00 0.00 C ATOM 998 SG CYS A 63 -7.709 -0.291 4.065 1.00 0.00 S ATOM 0 H CYS A 63 -9.179 -2.794 2.479 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.750 -2.076 5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.648 -0.589 2.637 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.093 0.149 4.163 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.218 -1.757 5.010 1.00 0.00 N ATOM 1004 CA ARG A 64 -13.656 -1.868 4.953 1.00 0.00 C ATOM 1005 C ARG A 64 -14.272 -0.565 5.427 1.00 0.00 C ATOM 1006 O ARG A 64 -13.680 0.138 6.245 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.148 -3.078 5.800 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.676 -3.080 7.269 1.00 0.00 C ATOM 1009 CD ARG A 64 -14.432 -2.083 8.133 1.00 0.00 C ATOM 1010 NE ARG A 64 -13.937 -2.034 9.529 1.00 0.00 N ATOM 1011 CZ ARG A 64 -14.529 -1.336 10.510 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -15.766 -0.884 10.346 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -13.905 -1.145 11.665 1.00 0.00 N ATOM 0 H ARG A 64 -11.861 -1.347 5.873 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.971 -2.050 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.238 -3.094 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.809 -3.998 5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.800 -4.080 7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.611 -2.850 7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -14.350 -1.091 7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.490 -2.344 8.138 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.095 -2.563 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.265 -1.068 9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -16.218 -0.353 11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.971 -1.529 11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.359 -0.614 12.408 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.435 -0.231 4.933 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.052 1.025 5.320 1.00 0.00 C ATOM 1029 C ASN A 65 -17.569 1.039 5.152 1.00 0.00 C ATOM 1030 O ASN A 65 -18.091 1.516 4.149 1.00 0.00 O ATOM 1031 CB ASN A 65 -15.419 2.173 4.540 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.167 3.491 4.659 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.537 3.948 5.738 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -16.416 4.083 3.538 1.00 0.00 N ATOM 0 H ASN A 65 -15.972 -0.794 4.273 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.867 1.149 6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.396 2.315 4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.361 1.894 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.936 4.960 3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.092 3.673 2.662 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.287 0.405 6.079 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.695 0.583 6.199 1.00 0.00 C ATOM 1043 C PRO A 66 -20.138 1.470 7.444 1.00 0.00 C ATOM 1044 O PRO A 66 -21.334 1.517 7.741 1.00 0.00 O ATOM 1045 CB PRO A 66 -20.186 -0.862 6.358 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.981 -1.655 6.835 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.832 -0.679 6.950 1.00 0.00 C ATOM 0 HA PRO A 66 -20.109 1.124 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -21.003 -0.921 7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.564 -1.254 5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.185 -2.127 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.741 -2.453 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.678 -0.345 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.890 -1.111 6.611 1.00 0.00 H new ATOM 1055 N PRO A 67 -19.191 2.173 8.251 1.00 0.00 N ATOM 1056 CA PRO A 67 -19.645 3.007 9.378 1.00 0.00 C ATOM 1057 C PRO A 67 -20.523 4.151 8.911 1.00 0.00 C ATOM 1058 O PRO A 67 -21.452 4.570 9.618 1.00 0.00 O ATOM 1059 CB PRO A 67 -18.333 3.551 9.976 1.00 0.00 C ATOM 1060 CG PRO A 67 -17.347 3.450 8.874 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.721 2.235 8.115 1.00 0.00 C ATOM 0 HA PRO A 67 -20.248 2.444 10.090 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.448 4.582 10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.020 2.967 10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.378 4.335 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.332 3.372 9.262 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.419 2.307 7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.243 1.345 8.524 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.243 4.602 7.677 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.961 5.705 7.026 1.00 0.00 C ATOM 1071 C ASP A 68 -20.967 7.033 7.837 1.00 0.00 C ATOM 1072 O ASP A 68 -20.944 7.046 9.060 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.407 5.260 6.611 1.00 0.00 C ATOM 1074 CG ASP A 68 -23.517 6.213 6.998 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -23.884 6.274 8.214 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -24.064 6.863 6.084 1.00 0.00 O ATOM 0 H ASP A 68 -19.503 4.205 7.099 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.398 5.939 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.430 5.123 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.613 4.288 7.060 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.962 8.160 7.120 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.121 9.501 7.691 1.00 0.00 C ATOM 1083 C PRO A 69 -22.532 9.680 8.231 1.00 0.00 C ATOM 1084 O PRO A 69 -23.446 9.046 7.758 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.845 10.415 6.499 1.00 0.00 C ATOM 1086 CG PRO A 69 -21.325 9.616 5.367 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.839 8.231 5.659 1.00 0.00 C ATOM 0 HA PRO A 69 -20.461 9.706 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.378 11.362 6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.785 10.653 6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -22.412 9.648 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.927 9.986 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.445 7.474 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.811 8.083 5.329 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.721 10.597 9.144 1.00 0.00 N ATOM 1096 CA VAL A 70 -23.988 10.672 9.864 1.00 0.00 C ATOM 1097 C VAL A 70 -25.153 10.928 8.903 1.00 0.00 C ATOM 1098 O VAL A 70 -26.194 10.272 9.011 1.00 0.00 O ATOM 1099 CB VAL A 70 -23.968 11.779 10.949 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -25.338 11.945 11.563 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -22.941 11.459 12.025 1.00 0.00 C ATOM 0 H VAL A 70 -22.031 11.298 9.412 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.128 9.708 10.353 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.686 12.718 10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -25.304 12.726 12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -26.053 12.223 10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.647 11.006 12.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.943 12.249 12.776 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -23.192 10.509 12.496 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.951 11.390 11.574 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.984 11.844 7.968 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.052 12.112 6.993 1.00 0.00 C ATOM 1113 C ASN A 71 -25.919 11.276 5.702 1.00 0.00 C ATOM 1114 O ASN A 71 -26.641 11.492 4.728 1.00 0.00 O ATOM 1115 CB ASN A 71 -26.231 13.586 6.681 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.838 14.364 7.832 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -27.455 13.787 8.727 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -26.730 15.674 7.789 1.00 0.00 N ATOM 0 H ASN A 71 -24.142 12.409 7.854 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.965 11.786 7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.263 14.018 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -26.867 13.691 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -27.166 16.246 8.513 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -26.211 16.118 7.032 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.999 10.310 5.712 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.919 9.351 4.612 1.00 0.00 C ATOM 1127 C GLY A 72 -24.168 9.760 3.337 1.00 0.00 C ATOM 1128 O GLY A 72 -24.414 9.179 2.275 1.00 0.00 O ATOM 0 H GLY A 72 -24.312 10.173 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.451 8.444 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.938 9.088 4.327 1.00 0.00 H new ATOM 1132 N MET A 73 -23.282 10.740 3.386 1.00 0.00 N ATOM 1133 CA MET A 73 -22.524 11.067 2.168 1.00 0.00 C ATOM 1134 C MET A 73 -21.029 10.727 2.307 1.00 0.00 C ATOM 1135 O MET A 73 -20.266 11.476 2.896 1.00 0.00 O ATOM 1136 CB MET A 73 -22.674 12.531 1.719 1.00 0.00 C ATOM 1137 CG MET A 73 -24.069 12.910 1.277 1.00 0.00 C ATOM 1138 SD MET A 73 -24.155 14.588 0.638 1.00 0.00 S ATOM 1139 CE MET A 73 -23.925 15.557 2.118 1.00 0.00 C ATOM 0 H MET A 73 -23.068 11.305 4.208 1.00 0.00 H new ATOM 0 HA MET A 73 -22.967 10.439 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.377 13.182 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.982 12.719 0.898 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.405 12.214 0.508 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.754 12.810 2.119 1.00 0.00 H new ATOM 0 HE1 MET A 73 -24.764 16.242 2.238 1.00 0.00 H new ATOM 0 HE2 MET A 73 -23.871 14.895 2.982 1.00 0.00 H new ATOM 0 HE3 MET A 73 -22.999 16.127 2.039 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.635 9.592 1.758 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.238 9.176 1.738 1.00 0.00 C ATOM 1151 C VAL A 74 -18.803 8.792 0.308 1.00 0.00 C ATOM 1152 O VAL A 74 -19.532 8.129 -0.428 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.976 7.979 2.691 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.982 6.882 2.451 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.555 7.448 2.553 1.00 0.00 C ATOM 0 H VAL A 74 -21.271 8.931 1.313 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.650 10.026 2.084 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.091 8.340 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.783 6.051 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.987 7.264 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.905 6.537 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.411 6.611 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.390 7.113 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.846 8.240 2.795 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.625 9.235 -0.079 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.081 8.950 -1.400 1.00 0.00 C ATOM 1167 C HIS A 75 -15.846 8.122 -1.263 1.00 0.00 C ATOM 1168 O HIS A 75 -15.193 8.160 -0.230 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.714 10.224 -2.183 1.00 0.00 C ATOM 1170 CG HIS A 75 -17.881 11.077 -2.608 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -17.727 12.316 -3.195 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.210 10.872 -2.517 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -18.905 12.834 -3.451 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -19.824 11.974 -3.049 1.00 0.00 N ATOM 0 H HIS A 75 -17.015 9.803 0.509 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.860 8.423 -1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.048 10.829 -1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.153 9.935 -3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.698 10.002 -2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -19.091 13.794 -3.909 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.832 12.110 -3.123 1.00 0.00 H new ATOM 1182 N VAL A 76 -15.529 7.358 -2.277 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.334 6.547 -2.253 1.00 0.00 C ATOM 1184 C VAL A 76 -13.473 6.848 -3.481 1.00 0.00 C ATOM 1185 O VAL A 76 -13.974 6.891 -4.608 1.00 0.00 O ATOM 1186 CB VAL A 76 -14.698 5.051 -2.224 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -15.750 4.723 -3.304 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -13.457 4.218 -2.418 1.00 0.00 C ATOM 0 H VAL A 76 -16.081 7.279 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.770 6.787 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.131 4.815 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.992 3.661 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.652 5.308 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.350 4.968 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.721 3.161 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.004 4.459 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.747 4.431 -1.619 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.176 7.083 -3.261 1.00 0.00 N ATOM 1199 CA ILE A 77 -11.273 7.436 -4.373 1.00 0.00 C ATOM 1200 C ILE A 77 -10.592 6.203 -4.986 1.00 0.00 C ATOM 1201 O ILE A 77 -10.641 5.989 -6.192 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.127 8.358 -3.867 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -10.659 9.675 -3.348 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.103 8.632 -4.984 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -9.588 10.473 -2.637 1.00 0.00 C ATOM 0 H ILE A 77 -11.730 7.038 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.896 7.929 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.637 7.830 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.056 10.259 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.487 9.488 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.313 9.279 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.670 7.690 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.600 9.121 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.011 11.412 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.209 9.900 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.772 10.683 -3.328 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.004 5.386 -4.125 1.00 0.00 N ATOM 1218 CA LYS A 78 -9.142 4.268 -4.552 1.00 0.00 C ATOM 1219 C LYS A 78 -9.855 2.897 -4.607 1.00 0.00 C ATOM 1220 O LYS A 78 -9.272 1.905 -5.026 1.00 0.00 O ATOM 1221 CB LYS A 78 -7.906 4.205 -3.676 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.067 5.478 -3.726 1.00 0.00 C ATOM 1223 CD LYS A 78 -6.492 5.728 -5.129 1.00 0.00 C ATOM 1224 CE LYS A 78 -5.671 7.007 -5.181 1.00 0.00 C ATOM 1225 NZ LYS A 78 -5.101 7.242 -6.532 1.00 0.00 N ATOM 0 H LYS A 78 -10.103 5.469 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.857 4.479 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.208 4.017 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.291 3.360 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.679 6.329 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.251 5.404 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.869 4.883 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.307 5.789 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.298 7.853 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.864 6.951 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.548 8.123 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.483 6.447 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.872 7.321 -7.225 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.115 2.854 -4.209 1.00 0.00 N ATOM 1240 CA GLY A 79 -11.850 1.586 -4.217 1.00 0.00 C ATOM 1241 C GLY A 79 -11.834 0.823 -2.878 1.00 0.00 C ATOM 1242 O GLY A 79 -12.182 -0.341 -2.833 1.00 0.00 O ATOM 0 H GLY A 79 -11.648 3.660 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.885 1.784 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.430 0.943 -4.991 1.00 0.00 H new ATOM 1246 N ILE A 80 -11.467 1.525 -1.795 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.439 0.956 -0.435 1.00 0.00 C ATOM 1248 C ILE A 80 -10.396 -0.147 -0.298 1.00 0.00 C ATOM 1249 O ILE A 80 -10.675 -1.333 -0.466 1.00 0.00 O ATOM 1250 CB ILE A 80 -12.833 0.407 0.005 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -13.910 1.505 -0.004 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -12.744 -0.243 1.380 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -13.628 2.638 0.950 1.00 0.00 C ATOM 0 H ILE A 80 -11.181 2.503 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.167 1.781 0.224 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.130 -0.349 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.999 1.906 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -14.872 1.060 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.725 -0.619 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.034 -1.069 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.409 0.494 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.430 3.374 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.568 2.251 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.682 3.110 0.685 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.185 0.278 -0.020 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.062 -0.614 0.190 1.00 0.00 C ATOM 1267 C GLN A 81 -6.990 0.154 0.943 1.00 0.00 C ATOM 1268 O GLN A 81 -7.154 1.330 1.213 1.00 0.00 O ATOM 1269 CB GLN A 81 -7.536 -1.110 -1.166 1.00 0.00 C ATOM 1270 CG GLN A 81 -6.401 -2.128 -1.101 1.00 0.00 C ATOM 1271 CD GLN A 81 -6.816 -3.427 -0.459 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -7.938 -3.891 -0.626 1.00 0.00 O ATOM 1273 NE2 GLN A 81 -5.917 -4.003 0.312 1.00 0.00 N ATOM 0 H GLN A 81 -8.946 1.266 0.068 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.361 -1.487 0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.366 -1.552 -1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.195 -0.249 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.039 -2.326 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.568 -1.701 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.995 -3.582 0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.143 -4.870 0.799 1.00 0.00 H new ATOM 1282 N PHE A 82 -5.921 -0.511 1.292 1.00 0.00 N ATOM 1283 CA PHE A 82 -4.793 0.149 1.913 1.00 0.00 C ATOM 1284 C PHE A 82 -4.197 1.186 0.947 1.00 0.00 C ATOM 1285 O PHE A 82 -3.905 0.884 -0.206 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.761 -0.931 2.291 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.418 -0.409 2.701 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.284 0.566 3.663 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.275 -0.926 2.114 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.040 1.033 4.022 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.037 -0.469 2.471 1.00 0.00 C ATOM 1292 CZ PHE A 82 0.084 0.514 3.424 1.00 0.00 C ATOM 0 H PHE A 82 -5.803 -1.515 1.158 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.101 0.683 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.166 -1.529 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.630 -1.600 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.164 0.969 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.363 -1.699 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.947 1.805 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.846 -0.880 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.062 0.879 3.703 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.038 2.408 1.465 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.589 3.532 0.680 1.00 0.00 C ATOM 1304 C GLY A 83 -4.765 4.354 0.153 1.00 0.00 C ATOM 1305 O GLY A 83 -4.577 5.436 -0.374 1.00 0.00 O ATOM 0 H GLY A 83 -4.221 2.632 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.944 4.167 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.989 3.176 -0.157 1.00 0.00 H new ATOM 1309 N SER A 84 -5.977 3.814 0.296 1.00 0.00 N ATOM 1310 CA SER A 84 -7.172 4.498 -0.148 1.00 0.00 C ATOM 1311 C SER A 84 -7.524 5.656 0.758 1.00 0.00 C ATOM 1312 O SER A 84 -7.364 5.576 1.969 1.00 0.00 O ATOM 1313 CB SER A 84 -8.361 3.537 -0.232 1.00 0.00 C ATOM 1314 OG SER A 84 -9.540 4.192 -0.723 1.00 0.00 O ATOM 0 H SER A 84 -6.147 2.901 0.719 1.00 0.00 H new ATOM 0 HA SER A 84 -6.958 4.889 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.109 2.703 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.561 3.119 0.754 1.00 0.00 H new ATOM 0 HG SER A 84 -10.335 3.764 -0.342 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.021 6.713 0.165 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.553 7.821 0.905 1.00 0.00 C ATOM 1322 C GLN A 85 -10.010 8.033 0.475 1.00 0.00 C ATOM 1323 O GLN A 85 -10.337 7.932 -0.713 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.700 9.069 0.704 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.178 10.261 1.493 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.221 11.436 1.391 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -7.723 12.619 1.661 1.00 0.00 O flip ATOM 1328 NE2 GLN A 85 -6.040 11.277 1.075 1.00 0.00 N flip ATOM 0 H GLN A 85 -8.066 6.826 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.530 7.609 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.672 8.845 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.690 9.325 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.161 10.563 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.295 9.979 2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.688 10.341 0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.415 12.081 1.016 1.00 0.00 H new ATOM 1337 N ILE A 86 -10.884 8.251 1.441 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.334 8.369 1.194 1.00 0.00 C ATOM 1339 C ILE A 86 -12.917 9.633 1.819 1.00 0.00 C ATOM 1340 O ILE A 86 -12.319 10.188 2.713 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.028 7.139 1.737 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -12.757 7.053 3.231 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.536 5.884 1.003 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.502 5.966 3.930 1.00 0.00 C ATOM 0 H ILE A 86 -10.623 8.353 2.422 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.497 8.443 0.119 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.104 7.208 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.689 6.903 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.015 8.007 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.043 5.006 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.754 5.976 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.460 5.778 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.250 5.976 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.574 6.124 3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.227 5.002 3.501 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.100 10.078 1.383 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.598 11.390 1.854 1.00 0.00 C ATOM 1358 C LYS A 87 -15.783 11.210 2.711 1.00 0.00 C ATOM 1359 O LYS A 87 -16.634 10.370 2.435 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.071 12.257 0.692 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.990 12.998 -0.072 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.815 12.094 -0.406 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.759 12.815 -1.198 1.00 0.00 C ATOM 1364 NZ LYS A 87 -12.222 13.144 -2.564 1.00 0.00 N ATOM 0 H LYS A 87 -14.712 9.582 0.735 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.769 11.859 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.614 11.624 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.782 12.988 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.409 13.405 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.641 13.844 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.378 11.711 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.169 11.233 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.479 13.732 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.864 12.196 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.416 13.468 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.639 12.298 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.937 13.897 -2.516 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.848 11.980 3.719 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.003 12.052 4.532 1.00 0.00 C ATOM 1380 C TYR A 88 -17.609 13.433 4.444 1.00 0.00 C ATOM 1381 O TYR A 88 -16.935 14.437 4.657 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.636 11.686 5.970 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.274 10.223 6.124 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.267 9.239 6.206 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.940 9.811 6.160 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.938 7.907 6.340 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.613 8.479 6.291 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.613 7.533 6.380 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.289 6.209 6.522 1.00 0.00 O ATOM 0 H TYR A 88 -15.088 12.593 4.014 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.751 11.341 4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.796 12.300 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.474 11.920 6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.307 9.528 6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.153 10.547 6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.715 7.161 6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.577 8.176 6.324 1.00 0.00 H new ATOM 0 HH TYR A 88 -15.976 5.656 6.095 1.00 0.00 H new ATOM 1399 N SER A 89 -18.860 13.471 4.124 1.00 0.00 N ATOM 1400 CA SER A 89 -19.617 14.701 4.118 1.00 0.00 C ATOM 1401 C SER A 89 -21.018 14.457 4.709 1.00 0.00 C ATOM 1402 O SER A 89 -21.635 13.417 4.470 1.00 0.00 O ATOM 1403 CB SER A 89 -19.737 15.226 2.689 1.00 0.00 C ATOM 1404 OG SER A 89 -20.411 16.466 2.658 1.00 0.00 O ATOM 0 H SER A 89 -19.400 12.648 3.855 1.00 0.00 H new ATOM 0 HA SER A 89 -19.100 15.442 4.728 1.00 0.00 H new ATOM 0 HB2 SER A 89 -18.744 15.338 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 89 -20.273 14.502 2.076 1.00 0.00 H new ATOM 0 HG SER A 89 -20.473 16.781 1.732 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.493 15.403 5.510 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.850 15.313 6.107 1.00 0.00 C ATOM 1412 C CYS A 90 -23.876 16.180 5.368 1.00 0.00 C ATOM 1413 O CYS A 90 -25.011 15.772 5.102 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.766 15.906 7.498 1.00 0.00 C ATOM 1415 SG CYS A 90 -21.476 15.253 8.539 1.00 0.00 S ATOM 0 H CYS A 90 -20.974 16.242 5.769 1.00 0.00 H new ATOM 0 HA CYS A 90 -23.158 14.268 6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.623 16.983 7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -23.723 15.753 7.997 1.00 0.00 H new ATOM 1420 N THR A 91 -23.454 17.384 5.062 1.00 0.00 N ATOM 1421 CA THR A 91 -24.350 18.441 4.621 1.00 0.00 C ATOM 1422 C THR A 91 -23.630 19.384 3.643 1.00 0.00 C ATOM 1423 O THR A 91 -22.419 19.368 3.573 1.00 0.00 O ATOM 1424 CB THR A 91 -24.786 19.227 5.882 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.397 18.334 6.842 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.743 20.336 5.555 1.00 0.00 C ATOM 0 H THR A 91 -22.475 17.665 5.110 1.00 0.00 H new ATOM 0 HA THR A 91 -25.212 18.018 4.104 1.00 0.00 H new ATOM 0 HB THR A 91 -23.887 19.673 6.308 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.317 18.622 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.021 20.859 6.470 1.00 0.00 H new ATOM 0 HG22 THR A 91 -25.268 21.036 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.637 19.920 5.090 1.00 0.00 H new ATOM 1434 N LYS A 92 -24.365 20.154 2.862 1.00 0.00 N ATOM 1435 CA LYS A 92 -23.753 21.199 2.060 1.00 0.00 C ATOM 1436 C LYS A 92 -23.234 22.417 2.862 1.00 0.00 C ATOM 1437 O LYS A 92 -22.114 22.849 2.695 1.00 0.00 O ATOM 1438 CB LYS A 92 -24.736 21.723 1.090 1.00 0.00 C ATOM 1439 CG LYS A 92 -26.084 22.029 1.688 1.00 0.00 C ATOM 1440 CD LYS A 92 -26.962 22.618 0.672 1.00 0.00 C ATOM 1441 CE LYS A 92 -28.321 22.909 1.233 1.00 0.00 C ATOM 1442 NZ LYS A 92 -29.211 23.530 0.212 1.00 0.00 N ATOM 0 H LYS A 92 -25.378 20.078 2.765 1.00 0.00 H new ATOM 0 HA LYS A 92 -22.896 20.718 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -24.336 22.631 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -24.862 20.996 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -26.532 21.117 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -25.971 22.717 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -26.518 23.538 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -27.053 21.936 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -28.771 21.985 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -28.227 23.576 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -30.143 23.719 0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -28.792 24.424 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -29.320 22.882 -0.594 1.00 0.00 H new ATOM 1456 N GLY A 93 -24.063 22.912 3.741 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.790 24.165 4.442 1.00 0.00 C ATOM 1458 C GLY A 93 -23.223 23.974 5.819 1.00 0.00 C ATOM 1459 O GLY A 93 -23.432 24.797 6.705 1.00 0.00 O ATOM 0 H GLY A 93 -24.946 22.471 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -23.092 24.758 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.714 24.739 4.515 1.00 0.00 H new ATOM 1463 N TYR A 94 -22.496 22.923 5.997 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.971 22.570 7.323 1.00 0.00 C ATOM 1465 C TYR A 94 -20.441 22.440 7.273 1.00 0.00 C ATOM 1466 O TYR A 94 -19.833 22.687 6.239 1.00 0.00 O ATOM 1467 CB TYR A 94 -22.586 21.263 7.810 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.774 20.043 7.471 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -21.420 19.777 6.177 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -21.285 19.226 8.471 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -20.610 18.721 5.864 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -20.452 18.166 8.168 1.00 0.00 C ATOM 1473 CZ TYR A 94 -20.124 17.920 6.858 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.310 16.865 6.542 1.00 0.00 O ATOM 0 H TYR A 94 -22.237 22.275 5.253 1.00 0.00 H new ATOM 0 HA TYR A 94 -22.237 23.365 8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.713 21.314 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -23.581 21.157 7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.788 20.414 5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.556 19.417 9.499 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -20.355 18.521 4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -20.063 17.537 8.955 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.625 16.059 7.003 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.833 22.121 8.415 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.400 21.919 8.491 1.00 0.00 C ATOM 1486 C ARG A 95 -18.170 20.551 9.077 1.00 0.00 C ATOM 1487 O ARG A 95 -18.932 20.111 9.916 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.794 22.904 9.458 1.00 0.00 C ATOM 1489 CG ARG A 95 -18.017 24.318 9.082 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.282 24.653 7.793 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.413 26.058 7.389 1.00 0.00 N ATOM 1492 CZ ARG A 95 -18.164 26.483 6.353 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -18.904 25.620 5.652 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -18.182 27.768 6.026 1.00 0.00 N ATOM 0 H ARG A 95 -20.321 21.998 9.302 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.960 22.036 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -18.212 22.730 10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.722 22.720 9.527 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -19.084 24.502 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.673 24.971 9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -16.225 24.416 7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -17.661 24.017 6.993 1.00 0.00 H new ATOM 0 HE ARG A 95 -16.903 26.758 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -18.904 24.630 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -19.469 25.951 4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -17.627 28.438 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -18.751 28.087 5.242 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.182 19.864 8.650 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.900 18.619 9.308 1.00 0.00 C ATOM 1510 C LEU A 96 -15.706 18.822 10.252 1.00 0.00 C ATOM 1511 O LEU A 96 -14.611 19.199 9.816 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.524 17.573 8.277 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.383 16.186 8.833 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.693 15.715 9.331 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.809 15.255 7.839 1.00 0.00 C ATOM 0 H LEU A 96 -16.566 20.116 7.877 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.779 18.291 9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.281 17.563 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.583 17.862 7.808 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.683 16.215 9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.588 14.708 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.046 16.385 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.412 15.705 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.722 14.261 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.459 15.210 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.822 15.606 7.539 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.940 18.571 11.538 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.924 18.766 12.572 1.00 0.00 C ATOM 1529 C ILE A 97 -13.727 17.809 12.422 1.00 0.00 C ATOM 1530 O ILE A 97 -12.585 18.223 12.494 1.00 0.00 O ATOM 1531 CB ILE A 97 -15.526 18.575 13.982 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.758 19.480 14.179 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -14.490 18.836 15.065 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -16.504 20.972 14.022 1.00 0.00 C ATOM 0 H ILE A 97 -16.833 18.229 11.892 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.567 19.788 12.446 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.845 17.536 14.068 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -17.525 19.182 13.464 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -17.164 19.301 15.175 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.945 18.693 16.045 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.657 18.143 14.947 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -14.125 19.859 14.980 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.434 21.518 14.180 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -15.765 21.294 14.755 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -16.131 21.174 13.018 1.00 0.00 H new ATOM 1546 N GLY A 98 -14.021 16.536 12.171 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.976 15.532 12.082 1.00 0.00 C ATOM 1548 C GLY A 98 -12.540 15.222 10.683 1.00 0.00 C ATOM 1549 O GLY A 98 -12.385 16.113 9.851 1.00 0.00 O ATOM 0 H GLY A 98 -14.967 16.182 12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.112 15.872 12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.328 14.614 12.553 1.00 0.00 H new ATOM 1553 N SER A 99 -12.340 13.946 10.410 1.00 0.00 N ATOM 1554 CA SER A 99 -11.786 13.535 9.145 1.00 0.00 C ATOM 1555 C SER A 99 -12.774 13.642 7.976 1.00 0.00 C ATOM 1556 O SER A 99 -13.660 12.803 7.801 1.00 0.00 O ATOM 1557 CB SER A 99 -11.216 12.116 9.265 1.00 0.00 C ATOM 1558 OG SER A 99 -10.163 12.091 10.203 1.00 0.00 O ATOM 0 H SER A 99 -12.554 13.181 11.050 1.00 0.00 H new ATOM 0 HA SER A 99 -10.983 14.232 8.907 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.002 11.425 9.571 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.855 11.778 8.294 1.00 0.00 H new ATOM 0 HG SER A 99 -10.498 11.758 11.062 1.00 0.00 H new ATOM 1564 N SER A 100 -12.601 14.711 7.200 1.00 0.00 N ATOM 1565 CA SER A 100 -13.299 14.936 5.943 1.00 0.00 C ATOM 1566 C SER A 100 -12.943 13.842 5.014 1.00 0.00 C ATOM 1567 O SER A 100 -13.771 13.360 4.276 1.00 0.00 O ATOM 1568 CB SER A 100 -12.937 16.291 5.362 1.00 0.00 C ATOM 1569 OG SER A 100 -13.641 16.550 4.152 1.00 0.00 O ATOM 0 H SER A 100 -11.953 15.462 7.438 1.00 0.00 H new ATOM 0 HA SER A 100 -14.376 14.938 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.164 17.071 6.089 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.864 16.332 5.175 1.00 0.00 H new ATOM 0 HG SER A 100 -13.385 17.431 3.807 1.00 0.00 H new ATOM 1575 N SER A 101 -11.684 13.489 4.989 1.00 0.00 N ATOM 1576 CA SER A 101 -11.310 12.377 4.212 1.00 0.00 C ATOM 1577 C SER A 101 -10.443 11.418 5.049 1.00 0.00 C ATOM 1578 O SER A 101 -9.370 11.789 5.505 1.00 0.00 O ATOM 1579 CB SER A 101 -10.554 12.877 2.983 1.00 0.00 C ATOM 1580 OG SER A 101 -10.455 11.890 1.995 1.00 0.00 O ATOM 0 H SER A 101 -10.928 13.955 5.492 1.00 0.00 H new ATOM 0 HA SER A 101 -12.193 11.826 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.062 13.750 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.555 13.198 3.277 1.00 0.00 H new ATOM 0 HG SER A 101 -10.907 11.076 2.300 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.948 10.193 5.267 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.218 9.155 5.976 1.00 0.00 C ATOM 1588 C ALA A 102 -9.173 8.518 5.084 1.00 0.00 C ATOM 1589 O ALA A 102 -9.374 8.384 3.865 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.166 8.129 6.533 1.00 0.00 C ATOM 0 H ALA A 102 -11.874 9.904 4.953 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.694 9.616 6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.601 7.360 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.857 8.610 7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.728 7.672 5.718 1.00 0.00 H new ATOM 1596 N THR A 103 -8.092 8.133 5.666 1.00 0.00 N ATOM 1597 CA THR A 103 -7.039 7.481 4.956 1.00 0.00 C ATOM 1598 C THR A 103 -6.765 6.105 5.606 1.00 0.00 C ATOM 1599 O THR A 103 -6.621 6.013 6.830 1.00 0.00 O ATOM 1600 CB THR A 103 -5.755 8.321 5.034 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.014 9.641 4.530 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.663 7.690 4.188 1.00 0.00 C ATOM 0 H THR A 103 -7.908 8.262 6.661 1.00 0.00 H new ATOM 0 HA THR A 103 -7.335 7.359 3.914 1.00 0.00 H new ATOM 0 HB THR A 103 -5.433 8.368 6.074 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.195 10.177 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.758 8.295 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.454 6.685 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.992 7.637 3.150 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.725 5.040 4.809 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.435 3.704 5.352 1.00 0.00 C ATOM 1612 C CYS A 104 -4.948 3.422 5.313 1.00 0.00 C ATOM 1613 O CYS A 104 -4.316 3.365 4.235 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.236 2.634 4.589 1.00 0.00 C ATOM 1615 SG CYS A 104 -7.689 1.106 5.545 1.00 0.00 S ATOM 0 H CYS A 104 -6.886 5.067 3.802 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.745 3.673 6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.154 3.092 4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.658 2.332 3.716 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.388 3.258 6.507 1.00 0.00 N ATOM 1621 CA ILE A 105 -2.963 3.041 6.692 1.00 0.00 C ATOM 1622 C ILE A 105 -2.712 1.845 7.572 1.00 0.00 C ATOM 1623 O ILE A 105 -3.616 1.381 8.290 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.237 4.278 7.287 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -2.732 4.615 8.720 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.401 5.469 6.363 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.033 5.418 8.791 1.00 0.00 C ATOM 0 H ILE A 105 -4.917 3.273 7.379 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.553 2.861 5.698 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.178 4.034 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.870 3.683 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.951 5.174 9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.889 6.332 6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.972 5.235 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.461 5.697 6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.291 5.601 9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.901 6.371 8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.834 4.856 8.312 1.00 0.00 H new ATOM 1639 N ILE A 106 -1.502 1.338 7.530 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.170 0.202 8.353 1.00 0.00 C ATOM 1641 C ILE A 106 -0.890 0.680 9.782 1.00 0.00 C ATOM 1642 O ILE A 106 -0.033 1.547 10.023 1.00 0.00 O ATOM 1643 CB ILE A 106 0.117 -0.516 7.832 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.077 -1.043 6.426 1.00 0.00 C ATOM 1645 CG2 ILE A 106 0.537 -1.649 8.762 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.156 -2.056 6.321 1.00 0.00 C ATOM 0 H ILE A 106 -0.743 1.688 6.945 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.010 -0.492 8.322 1.00 0.00 H new ATOM 0 HB ILE A 106 0.913 0.228 7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.305 -0.210 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.858 -1.481 6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.435 -2.127 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.743 -1.248 9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.266 -2.383 8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.241 -2.391 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.920 -2.907 6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.101 -1.615 6.639 1.00 0.00 H new ATOM 1658 N SER A 107 -1.612 0.094 10.714 1.00 0.00 N ATOM 1659 CA SER A 107 -1.473 0.371 12.133 1.00 0.00 C ATOM 1660 C SER A 107 -0.123 -0.132 12.651 1.00 0.00 C ATOM 1661 O SER A 107 0.479 0.447 13.558 1.00 0.00 O ATOM 1662 CB SER A 107 -2.606 -0.300 12.898 1.00 0.00 C ATOM 1663 OG SER A 107 -2.618 -1.696 12.655 1.00 0.00 O ATOM 0 H SER A 107 -2.327 -0.603 10.505 1.00 0.00 H new ATOM 0 HA SER A 107 -1.520 1.449 12.286 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.491 -0.113 13.966 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.560 0.134 12.599 1.00 0.00 H new ATOM 0 HG SER A 107 -2.356 -2.172 13.470 1.00 0.00 H new ATOM 1669 N GLY A 108 0.308 -1.211 12.043 1.00 0.00 N ATOM 1670 CA GLY A 108 1.505 -1.884 12.402 1.00 0.00 C ATOM 1671 C GLY A 108 1.267 -3.371 12.354 1.00 0.00 C ATOM 1672 O GLY A 108 2.186 -4.157 12.152 1.00 0.00 O ATOM 0 H GLY A 108 -0.187 -1.647 11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.310 -1.610 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.819 -1.585 13.402 1.00 0.00 H new ATOM 1676 N ASP A 109 -0.010 -3.740 12.521 1.00 0.00 N ATOM 1677 CA ASP A 109 -0.442 -5.128 12.449 1.00 0.00 C ATOM 1678 C ASP A 109 -1.547 -5.317 11.380 1.00 0.00 C ATOM 1679 O ASP A 109 -1.609 -6.346 10.728 1.00 0.00 O ATOM 1680 CB ASP A 109 -0.987 -5.599 13.820 1.00 0.00 C ATOM 1681 CG ASP A 109 -2.175 -4.771 14.315 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -2.091 -3.523 14.306 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -3.196 -5.377 14.705 1.00 0.00 O ATOM 0 H ASP A 109 -0.765 -3.081 12.709 1.00 0.00 H new ATOM 0 HA ASP A 109 0.427 -5.725 12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.288 -6.644 13.744 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -0.186 -5.550 14.558 1.00 0.00 H new ATOM 1688 N THR A 110 -2.411 -4.307 11.237 1.00 0.00 N ATOM 1689 CA THR A 110 -3.587 -4.376 10.356 1.00 0.00 C ATOM 1690 C THR A 110 -3.869 -3.019 9.660 1.00 0.00 C ATOM 1691 O THR A 110 -3.208 -2.019 9.941 1.00 0.00 O ATOM 1692 CB THR A 110 -4.840 -4.871 11.151 1.00 0.00 C ATOM 1693 OG1 THR A 110 -5.937 -5.134 10.269 1.00 0.00 O ATOM 1694 CG2 THR A 110 -5.261 -3.856 12.204 1.00 0.00 C ATOM 0 H THR A 110 -2.317 -3.418 11.728 1.00 0.00 H new ATOM 0 HA THR A 110 -3.368 -5.099 9.570 1.00 0.00 H new ATOM 0 HB THR A 110 -4.560 -5.798 11.652 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.708 -5.444 10.789 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.134 -4.228 12.740 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.443 -3.701 12.907 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.508 -2.911 11.720 1.00 0.00 H new ATOM 1702 N VAL A 111 -4.837 -2.990 8.725 1.00 0.00 N ATOM 1703 CA VAL A 111 -5.172 -1.738 8.039 1.00 0.00 C ATOM 1704 C VAL A 111 -6.414 -1.087 8.695 1.00 0.00 C ATOM 1705 O VAL A 111 -7.467 -1.725 8.899 1.00 0.00 O ATOM 1706 CB VAL A 111 -5.477 -1.967 6.522 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -4.268 -2.486 5.797 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -6.650 -2.918 6.326 1.00 0.00 C ATOM 0 H VAL A 111 -5.386 -3.799 8.436 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.305 -1.084 8.127 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.747 -0.999 6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.511 -2.635 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.455 -1.765 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.960 -3.435 6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.834 -3.054 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.417 -3.881 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.540 -2.500 6.797 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.252 0.169 9.063 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.293 0.951 9.727 1.00 0.00 C ATOM 1720 C ILE A 112 -7.477 2.305 9.039 1.00 0.00 C ATOM 1721 O ILE A 112 -6.597 2.762 8.312 1.00 0.00 O ATOM 1722 CB ILE A 112 -6.944 1.182 11.223 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -5.625 1.957 11.354 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -6.886 -0.146 11.988 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -5.281 2.372 12.778 1.00 0.00 C ATOM 0 H ILE A 112 -5.387 0.687 8.911 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.222 0.384 9.660 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.736 1.783 11.670 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.815 1.342 10.962 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -5.678 2.850 10.731 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.640 0.046 13.032 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.855 -0.643 11.929 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.122 -0.787 11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.335 2.914 12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.069 3.015 13.170 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.192 1.484 13.404 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.610 2.941 9.273 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.834 4.295 8.779 1.00 0.00 C ATOM 1739 C TRP A 113 -8.450 5.283 9.902 1.00 0.00 C ATOM 1740 O TRP A 113 -8.601 4.975 11.091 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.312 4.525 8.405 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.830 3.715 7.223 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.622 2.610 7.284 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.615 3.960 5.822 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.915 2.165 6.030 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.306 2.956 5.114 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -9.914 4.914 5.103 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.313 2.883 3.721 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -9.924 4.843 3.720 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.613 3.836 3.048 1.00 0.00 C ATOM 0 H TRP A 113 -9.390 2.547 9.800 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.230 4.446 7.885 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.927 4.297 9.275 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.451 5.583 8.185 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.969 2.151 8.198 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.503 1.360 5.814 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.371 5.697 5.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.850 2.104 3.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.385 5.585 3.150 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.591 3.811 1.969 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.945 6.437 9.522 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.489 7.456 10.486 1.00 0.00 C ATOM 1763 C ASP A 114 -8.680 8.308 10.979 1.00 0.00 C ATOM 1764 O ASP A 114 -8.519 9.187 11.815 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.417 8.359 9.865 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.858 9.039 8.576 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.954 8.755 8.096 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -6.070 9.835 8.024 1.00 0.00 O ATOM 0 H ASP A 114 -7.833 6.709 8.545 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.050 6.938 11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.134 9.123 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.526 7.764 9.665 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.880 7.997 10.465 1.00 0.00 N ATOM 1774 CA GLN A 115 -11.115 8.689 10.875 1.00 0.00 C ATOM 1775 C GLN A 115 -11.372 8.535 12.355 1.00 0.00 C ATOM 1776 O GLN A 115 -11.318 7.440 12.901 1.00 0.00 O ATOM 1777 CB GLN A 115 -12.329 8.120 10.139 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.628 8.837 10.466 1.00 0.00 C ATOM 1779 CD GLN A 115 -14.833 8.216 9.795 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.890 7.007 9.606 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -15.820 9.021 9.476 1.00 0.00 N ATOM 0 H GLN A 115 -10.023 7.270 9.764 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.974 9.741 10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.152 8.177 9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.433 7.064 10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.778 8.831 11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.547 9.880 10.161 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.737 10.023 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -16.670 8.644 9.056 1.00 0.00 H new ATOM 1790 N GLU A 116 -11.655 9.653 12.989 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.940 9.682 14.412 1.00 0.00 C ATOM 1792 C GLU A 116 -13.251 8.922 14.711 1.00 0.00 C ATOM 1793 O GLU A 116 -13.331 8.120 15.649 1.00 0.00 O ATOM 1794 CB GLU A 116 -12.156 11.134 14.873 1.00 0.00 C ATOM 1795 CG GLU A 116 -10.957 12.063 14.768 1.00 0.00 C ATOM 1796 CD GLU A 116 -10.785 12.629 13.360 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -11.541 12.226 12.446 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -9.936 13.519 13.182 1.00 0.00 O ATOM 0 H GLU A 116 -11.695 10.566 12.536 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.098 9.223 14.930 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.971 11.560 14.288 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.485 11.117 15.912 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.073 12.884 15.476 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.055 11.522 15.053 1.00 0.00 H new ATOM 1805 N THR A 117 -14.250 9.167 13.846 1.00 0.00 N ATOM 1806 CA THR A 117 -15.618 8.649 13.972 1.00 0.00 C ATOM 1807 C THR A 117 -16.502 9.578 13.113 1.00 0.00 C ATOM 1808 O THR A 117 -16.016 10.636 12.709 1.00 0.00 O ATOM 1809 CB THR A 117 -16.108 8.708 15.476 1.00 0.00 C ATOM 1810 OG1 THR A 117 -17.170 7.783 15.697 1.00 0.00 O ATOM 1811 CG2 THR A 117 -16.591 10.112 15.867 1.00 0.00 C ATOM 0 H THR A 117 -14.122 9.748 13.017 1.00 0.00 H new ATOM 0 HA THR A 117 -15.670 7.609 13.649 1.00 0.00 H new ATOM 0 HB THR A 117 -15.249 8.447 16.095 1.00 0.00 H new ATOM 0 HG1 THR A 117 -17.458 7.833 16.632 1.00 0.00 H new ATOM 0 HG21 THR A 117 -16.918 10.108 16.907 1.00 0.00 H new ATOM 0 HG22 THR A 117 -15.775 10.824 15.746 1.00 0.00 H new ATOM 0 HG23 THR A 117 -17.423 10.402 15.226 1.00 0.00 H new ATOM 1819 N PRO A 118 -17.781 9.235 12.757 1.00 0.00 N ATOM 1820 CA PRO A 118 -18.606 10.204 12.028 1.00 0.00 C ATOM 1821 C PRO A 118 -18.816 11.471 12.873 1.00 0.00 C ATOM 1822 O PRO A 118 -19.034 11.389 14.085 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.943 9.460 11.840 1.00 0.00 C ATOM 1824 CG PRO A 118 -19.622 8.009 12.037 1.00 0.00 C ATOM 1825 CD PRO A 118 -18.465 7.959 12.990 1.00 0.00 C ATOM 0 HA PRO A 118 -18.158 10.528 11.089 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.686 9.799 12.561 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -20.357 9.640 10.848 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.481 7.472 12.440 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.366 7.535 11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -18.799 7.864 14.023 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.813 7.110 12.787 1.00 0.00 H new ATOM 1833 N ILE A 119 -18.774 12.633 12.227 1.00 0.00 N ATOM 1834 CA ILE A 119 -18.942 13.918 12.916 1.00 0.00 C ATOM 1835 C ILE A 119 -19.729 14.834 12.016 1.00 0.00 C ATOM 1836 O ILE A 119 -19.694 14.631 10.834 1.00 0.00 O ATOM 1837 CB ILE A 119 -17.569 14.548 13.126 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -16.692 13.619 13.923 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -17.729 15.861 13.902 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -15.257 13.673 13.515 1.00 0.00 C ATOM 0 H ILE A 119 -18.624 12.715 11.221 1.00 0.00 H new ATOM 0 HA ILE A 119 -19.447 13.768 13.870 1.00 0.00 H new ATOM 0 HB ILE A 119 -17.112 14.736 12.154 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.772 13.871 14.980 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.057 12.598 13.810 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -16.750 16.315 14.055 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -18.361 16.544 13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -18.190 15.658 14.869 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.678 12.981 14.127 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.166 13.392 12.466 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.877 14.685 13.654 1.00 0.00 H new ATOM 1852 N CYS A 120 -20.488 15.797 12.554 1.00 0.00 N ATOM 1853 CA CYS A 120 -21.113 16.802 11.673 1.00 0.00 C ATOM 1854 C CYS A 120 -21.280 18.174 12.428 1.00 0.00 C ATOM 1855 O CYS A 120 -22.051 18.235 13.375 1.00 0.00 O ATOM 1856 CB CYS A 120 -22.491 16.287 11.191 1.00 0.00 C ATOM 1857 SG CYS A 120 -22.429 14.708 10.231 1.00 0.00 S ATOM 0 H CYS A 120 -20.681 15.905 13.550 1.00 0.00 H new ATOM 0 HA CYS A 120 -20.467 16.963 10.810 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -23.135 16.144 12.059 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.955 17.055 10.572 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.563 19.294 11.984 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.685 20.615 12.694 1.00 0.00 C ATOM 1864 C ASP A 121 -22.113 21.144 12.634 1.00 0.00 C ATOM 1865 O ASP A 121 -22.700 21.471 13.669 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.715 21.672 12.091 1.00 0.00 C ATOM 1867 CG ASP A 121 -19.744 23.061 12.769 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -20.579 23.301 13.626 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -18.899 23.902 12.420 1.00 0.00 O ATOM 0 H ASP A 121 -19.933 19.295 11.182 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.415 20.443 13.736 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.699 21.281 12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.952 21.797 11.034 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.700 21.125 11.413 1.00 0.00 N ATOM 1875 CA ARG A 122 -24.039 21.655 11.176 1.00 0.00 C ATOM 1876 C ARG A 122 -24.437 22.810 12.099 1.00 0.00 C ATOM 1877 O ARG A 122 -24.370 23.982 11.641 1.00 0.00 O ATOM 1878 CB ARG A 122 -25.090 20.556 11.162 1.00 0.00 C ATOM 1879 CG ARG A 122 -25.018 19.632 9.960 1.00 0.00 C ATOM 1880 CD ARG A 122 -26.090 18.559 10.032 1.00 0.00 C ATOM 1881 NE ARG A 122 -25.843 17.584 11.104 1.00 0.00 N ATOM 1882 CZ ARG A 122 -26.718 16.631 11.468 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.974 16.708 11.060 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -26.358 15.644 12.282 1.00 0.00 N ATOM 0 H ARG A 122 -22.253 20.743 10.580 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.995 22.092 10.179 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.987 19.960 12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -26.078 21.015 11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -25.139 20.211 9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -24.034 19.165 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -27.060 19.030 10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -26.141 18.037 9.076 1.00 0.00 H new ATOM 0 HE ARG A 122 -24.954 17.634 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -28.273 17.487 10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -28.644 15.988 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -25.404 15.601 12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.035 14.929 12.548 1.00 0.00 H new