USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 464 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 28 TYR OH : rot -17:sc= 0.16 USER MOD Set 1.2: A 58 HIS : no HD1:sc= -3.22! C(o=-3.1!,f=-5!) USER MOD Set 2.1: A 16 GLN : amide:sc= 0 X(o=-0.65,f=-0.49) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= -0.652 USER MOD Single : A 6 ASN : amide:sc= -3.95 K(o=-4,f=-9.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 36 SER OG : rot 180:sc= -0.257 USER MOD Single : A 39 ASN : amide:sc= -13.2! C(o=-13!,f=-14!) USER MOD Single : A 40 HIS : no HD1:sc= -4.04! C(o=-4!,f=-3.8!) USER MOD Single : A 44 LYS NZ :NH3+ -144:sc= -0.145 (180deg=-0.439) USER MOD Single : A 45 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.6!) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.716 (180deg=-0.736) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-4.1!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 1:sc= -0.212 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -177:sc= -1.07 USER MOD Single : A 74 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.4!) USER MOD Single : A 75 GLN : amide:sc=-0.00654 K(o=-0.0065,f=-1.7) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 4 -1.943 9.122 -11.919 1.00 0.00 N ATOM 2 CA PHE A 4 -0.703 8.305 -11.985 1.00 0.00 C ATOM 3 C PHE A 4 0.302 8.735 -10.923 1.00 0.00 C ATOM 4 O PHE A 4 1.366 9.268 -11.239 1.00 0.00 O ATOM 5 CB PHE A 4 -0.095 8.450 -13.381 1.00 0.00 C ATOM 6 CG PHE A 4 0.608 7.210 -13.855 1.00 0.00 C ATOM 7 CD1 PHE A 4 1.850 6.865 -13.345 1.00 0.00 C ATOM 8 CD2 PHE A 4 0.026 6.389 -14.808 1.00 0.00 C ATOM 9 CE1 PHE A 4 2.497 5.723 -13.777 1.00 0.00 C ATOM 10 CE2 PHE A 4 0.671 5.247 -15.244 1.00 0.00 C ATOM 11 CZ PHE A 4 1.908 4.913 -14.728 1.00 0.00 C ATOM 0 HA PHE A 4 -0.954 7.262 -11.792 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.884 8.705 -14.089 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.611 9.281 -13.378 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.317 7.495 -12.602 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.942 6.644 -15.214 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.464 5.464 -13.371 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.208 4.616 -15.988 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.413 4.021 -15.067 1.00 0.00 H new ATOM 21 N VAL A 5 -0.032 8.480 -9.663 1.00 0.00 N ATOM 22 CA VAL A 5 0.856 8.821 -8.559 1.00 0.00 C ATOM 23 C VAL A 5 1.187 7.575 -7.741 1.00 0.00 C ATOM 24 O VAL A 5 2.331 7.129 -7.730 1.00 0.00 O ATOM 25 CB VAL A 5 0.275 9.927 -7.650 1.00 0.00 C ATOM 26 CG1 VAL A 5 0.419 11.282 -8.320 1.00 0.00 C ATOM 27 CG2 VAL A 5 -1.183 9.663 -7.302 1.00 0.00 C ATOM 0 H VAL A 5 -0.908 8.040 -9.382 1.00 0.00 H new ATOM 0 HA VAL A 5 1.772 9.219 -8.996 1.00 0.00 H new ATOM 0 HB VAL A 5 0.841 9.923 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.006 12.054 -7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.474 11.487 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.120 11.278 -9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.555 10.463 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.774 9.626 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.265 8.711 -6.778 1.00 0.00 H new ATOM 31 N ASN A 6 0.173 6.994 -7.095 1.00 0.00 N ATOM 32 CA ASN A 6 0.349 5.767 -6.312 1.00 0.00 C ATOM 33 C ASN A 6 -0.805 5.513 -5.351 1.00 0.00 C ATOM 34 O ASN A 6 -1.137 6.343 -4.504 1.00 0.00 O ATOM 35 CB ASN A 6 1.663 5.751 -5.528 1.00 0.00 C ATOM 36 CG ASN A 6 1.796 6.921 -4.575 1.00 0.00 C ATOM 37 OD1 ASN A 6 2.170 8.023 -4.976 1.00 0.00 O ATOM 38 ND2 ASN A 6 1.491 6.685 -3.304 1.00 0.00 N ATOM 0 H ASN A 6 -0.781 7.354 -7.099 1.00 0.00 H new ATOM 0 HA ASN A 6 0.372 4.966 -7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.733 4.820 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.498 5.763 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.563 7.434 -2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.185 5.755 -3.017 1.00 0.00 H new ATOM 43 N GLU A 7 -1.377 4.327 -5.486 1.00 0.00 N ATOM 44 CA GLU A 7 -2.469 3.861 -4.646 1.00 0.00 C ATOM 45 C GLU A 7 -2.365 2.347 -4.560 1.00 0.00 C ATOM 46 O GLU A 7 -2.718 1.643 -5.504 1.00 0.00 O ATOM 47 CB GLU A 7 -3.826 4.273 -5.222 1.00 0.00 C ATOM 48 CG GLU A 7 -3.853 5.694 -5.761 1.00 0.00 C ATOM 49 CD GLU A 7 -5.145 6.018 -6.484 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.674 5.127 -7.182 1.00 0.00 O ATOM 51 OE2 GLU A 7 -5.628 7.162 -6.354 1.00 0.00 O ATOM 0 H GLU A 7 -1.091 3.650 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.395 4.310 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.095 3.584 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.586 4.173 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.717 6.394 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.014 5.836 -6.442 1.00 0.00 H new ATOM 58 N TRP A 8 -1.828 1.848 -3.456 1.00 0.00 N ATOM 59 CA TRP A 8 -1.628 0.419 -3.308 1.00 0.00 C ATOM 60 C TRP A 8 -2.842 -0.282 -2.709 1.00 0.00 C ATOM 61 O TRP A 8 -3.341 0.091 -1.648 1.00 0.00 O ATOM 62 CB TRP A 8 -0.385 0.156 -2.459 1.00 0.00 C ATOM 63 CG TRP A 8 -0.160 -1.295 -2.195 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.449 -2.198 -3.014 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.556 -2.009 -1.030 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.445 -3.439 -2.429 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.164 -3.346 -1.204 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.204 -1.643 0.145 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.404 -4.321 -0.241 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.440 -2.609 1.102 1.00 0.00 C ATOM 71 CH2 TRP A 8 -1.041 -3.933 0.905 1.00 0.00 C ATOM 0 H TRP A 8 -1.526 2.407 -2.658 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.486 0.003 -4.305 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.488 0.568 -2.965 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.481 0.682 -1.509 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.872 -1.970 -3.981 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.831 -4.290 -2.838 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.517 -0.622 0.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.099 -5.346 -0.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.942 -2.337 2.019 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.240 -4.665 1.674 1.00 0.00 H new ATOM 82 N ALA A 9 -3.293 -1.318 -3.411 1.00 0.00 N ATOM 83 CA ALA A 9 -4.434 -2.117 -2.985 1.00 0.00 C ATOM 84 C ALA A 9 -4.061 -3.593 -2.968 1.00 0.00 C ATOM 85 O ALA A 9 -3.446 -4.096 -3.911 1.00 0.00 O ATOM 86 CB ALA A 9 -5.618 -1.888 -3.908 1.00 0.00 C ATOM 0 H ALA A 9 -2.877 -1.626 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.716 -1.811 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.461 -2.493 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.897 -0.834 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.347 -2.172 -4.925 1.00 0.00 H new ATOM 92 N ALA A 10 -4.413 -4.285 -1.893 1.00 0.00 N ATOM 93 CA ALA A 10 -4.087 -5.698 -1.777 1.00 0.00 C ATOM 94 C ALA A 10 -5.087 -6.455 -0.914 1.00 0.00 C ATOM 95 O ALA A 10 -5.874 -5.857 -0.183 1.00 0.00 O ATOM 96 CB ALA A 10 -2.691 -5.852 -1.205 1.00 0.00 C ATOM 0 H ALA A 10 -4.919 -3.896 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.133 -6.129 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.448 -6.911 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.972 -5.367 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.648 -5.388 -0.219 1.00 0.00 H new ATOM 102 N GLU A 11 -5.021 -7.782 -0.990 1.00 0.00 N ATOM 103 CA GLU A 11 -5.888 -8.651 -0.199 1.00 0.00 C ATOM 104 C GLU A 11 -5.048 -9.375 0.840 1.00 0.00 C ATOM 105 O GLU A 11 -4.163 -10.162 0.494 1.00 0.00 O ATOM 106 CB GLU A 11 -6.600 -9.669 -1.086 1.00 0.00 C ATOM 107 CG GLU A 11 -7.657 -9.054 -1.990 1.00 0.00 C ATOM 108 CD GLU A 11 -8.515 -10.095 -2.683 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.252 -11.302 -2.497 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.452 -9.703 -3.410 1.00 0.00 O ATOM 0 H GLU A 11 -4.371 -8.282 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.646 -8.040 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.861 -10.182 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.068 -10.424 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.296 -8.397 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.169 -8.433 -2.741 1.00 0.00 H new ATOM 117 N ILE A 12 -5.302 -9.089 2.108 1.00 0.00 N ATOM 118 CA ILE A 12 -4.542 -9.703 3.184 1.00 0.00 C ATOM 119 C ILE A 12 -5.467 -10.307 4.254 1.00 0.00 C ATOM 120 O ILE A 12 -6.296 -9.612 4.838 1.00 0.00 O ATOM 121 CB ILE A 12 -3.558 -8.683 3.818 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.350 -8.973 5.308 1.00 0.00 C ATOM 123 CG2 ILE A 12 -4.030 -7.248 3.600 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.358 -8.283 6.211 1.00 0.00 C ATOM 0 H ILE A 12 -6.025 -8.439 2.415 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.960 -10.517 2.753 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.597 -8.795 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.407 -10.049 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.346 -8.660 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.320 -6.558 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.098 -7.046 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.010 -7.114 4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.148 -8.535 7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.287 -7.204 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.364 -8.615 5.954 1.00 0.00 H new ATOM 128 N PRO A 13 -5.351 -11.628 4.501 1.00 0.00 N ATOM 129 CA PRO A 13 -6.190 -12.343 5.476 1.00 0.00 C ATOM 130 C PRO A 13 -5.887 -12.027 6.946 1.00 0.00 C ATOM 131 O PRO A 13 -6.803 -11.748 7.720 1.00 0.00 O ATOM 132 CB PRO A 13 -5.888 -13.825 5.202 1.00 0.00 C ATOM 133 CG PRO A 13 -5.143 -13.855 3.910 1.00 0.00 C ATOM 134 CD PRO A 13 -4.426 -12.544 3.822 1.00 0.00 C ATOM 0 HA PRO A 13 -7.232 -12.049 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.294 -14.258 6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.808 -14.406 5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.440 -14.688 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.824 -13.985 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.455 -12.579 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.248 -12.248 2.788 1.00 0.00 H new ATOM 142 N GLY A 14 -4.619 -12.128 7.349 1.00 0.00 N ATOM 143 CA GLY A 14 -4.276 -11.903 8.749 1.00 0.00 C ATOM 144 C GLY A 14 -3.296 -10.771 9.005 1.00 0.00 C ATOM 145 O GLY A 14 -3.044 -10.424 10.159 1.00 0.00 O ATOM 0 H GLY A 14 -3.833 -12.358 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.193 -11.699 9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.856 -12.823 9.155 1.00 0.00 H new ATOM 149 N GLY A 15 -2.742 -10.194 7.953 1.00 0.00 N ATOM 150 CA GLY A 15 -1.794 -9.107 8.121 1.00 0.00 C ATOM 151 C GLY A 15 -2.465 -7.794 8.482 1.00 0.00 C ATOM 152 O GLY A 15 -1.984 -6.725 8.111 1.00 0.00 O ATOM 0 H GLY A 15 -2.929 -10.456 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.079 -9.371 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.227 -8.979 7.199 1.00 0.00 H new ATOM 156 N GLN A 16 -3.579 -7.872 9.204 1.00 0.00 N ATOM 157 CA GLN A 16 -4.318 -6.684 9.613 1.00 0.00 C ATOM 158 C GLN A 16 -3.478 -5.815 10.542 1.00 0.00 C ATOM 159 O GLN A 16 -3.220 -4.648 10.249 1.00 0.00 O ATOM 160 CB GLN A 16 -5.618 -7.092 10.306 1.00 0.00 C ATOM 161 CG GLN A 16 -6.716 -7.508 9.342 1.00 0.00 C ATOM 162 CD GLN A 16 -7.936 -8.063 10.052 1.00 0.00 C ATOM 163 OE1 GLN A 16 -9.005 -7.454 10.043 1.00 0.00 O ATOM 164 NE2 GLN A 16 -7.780 -9.226 10.674 1.00 0.00 N ATOM 0 H GLN A 16 -3.991 -8.751 9.519 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.554 -6.101 8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.413 -7.917 10.988 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.974 -6.259 10.912 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.010 -6.649 8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.326 -8.260 8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.875 -9.697 10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.565 -9.648 11.170 1.00 0.00 H new ATOM 171 N GLU A 17 -3.048 -6.393 11.660 1.00 0.00 N ATOM 172 CA GLU A 17 -2.229 -5.668 12.624 1.00 0.00 C ATOM 173 C GLU A 17 -1.005 -5.070 11.939 1.00 0.00 C ATOM 174 O GLU A 17 -0.528 -3.999 12.313 1.00 0.00 O ATOM 175 CB GLU A 17 -1.792 -6.596 13.759 1.00 0.00 C ATOM 176 CG GLU A 17 -2.950 -7.145 14.577 1.00 0.00 C ATOM 177 CD GLU A 17 -2.607 -7.295 16.047 1.00 0.00 C ATOM 178 OE1 GLU A 17 -2.620 -6.274 16.766 1.00 0.00 O ATOM 179 OE2 GLU A 17 -2.324 -8.432 16.477 1.00 0.00 O ATOM 0 H GLU A 17 -3.253 -7.358 11.919 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.828 -4.859 13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.228 -7.429 13.339 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.116 -6.054 14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.809 -6.482 14.474 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.246 -8.114 14.176 1.00 0.00 H new ATOM 186 N ALA A 18 -0.510 -5.773 10.926 1.00 0.00 N ATOM 187 CA ALA A 18 0.651 -5.319 10.172 1.00 0.00 C ATOM 188 C ALA A 18 0.249 -4.274 9.138 1.00 0.00 C ATOM 189 O ALA A 18 0.983 -3.319 8.892 1.00 0.00 O ATOM 190 CB ALA A 18 1.336 -6.497 9.497 1.00 0.00 C ATOM 0 H ALA A 18 -0.897 -6.662 10.608 1.00 0.00 H new ATOM 0 HA ALA A 18 1.353 -4.858 10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.202 -6.143 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.661 -7.211 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.637 -6.983 8.816 1.00 0.00 H new ATOM 196 N ALA A 19 -0.929 -4.459 8.544 1.00 0.00 N ATOM 197 CA ALA A 19 -1.443 -3.535 7.539 1.00 0.00 C ATOM 198 C ALA A 19 -1.399 -2.107 8.058 1.00 0.00 C ATOM 199 O ALA A 19 -0.901 -1.199 7.389 1.00 0.00 O ATOM 200 CB ALA A 19 -2.861 -3.928 7.147 1.00 0.00 C ATOM 0 H ALA A 19 -1.547 -5.245 8.744 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.812 -3.590 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.237 -3.233 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.859 -4.938 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.504 -3.895 8.026 1.00 0.00 H new ATOM 206 N SER A 20 -1.900 -1.926 9.270 1.00 0.00 N ATOM 207 CA SER A 20 -1.902 -0.619 9.902 1.00 0.00 C ATOM 208 C SER A 20 -0.483 -0.232 10.309 1.00 0.00 C ATOM 209 O SER A 20 -0.155 0.950 10.422 1.00 0.00 O ATOM 210 CB SER A 20 -2.819 -0.618 11.127 1.00 0.00 C ATOM 211 OG SER A 20 -3.529 0.603 11.231 1.00 0.00 O ATOM 0 H SER A 20 -2.311 -2.669 9.835 1.00 0.00 H new ATOM 0 HA SER A 20 -2.278 0.112 9.187 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.523 -1.447 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.227 -0.776 12.028 1.00 0.00 H new ATOM 0 HG SER A 20 -4.109 0.578 12.021 1.00 0.00 H new ATOM 217 N ALA A 21 0.353 -1.243 10.529 1.00 0.00 N ATOM 218 CA ALA A 21 1.732 -1.027 10.926 1.00 0.00 C ATOM 219 C ALA A 21 2.590 -0.568 9.751 1.00 0.00 C ATOM 220 O ALA A 21 3.562 0.164 9.936 1.00 0.00 O ATOM 221 CB ALA A 21 2.308 -2.295 11.538 1.00 0.00 C ATOM 0 H ALA A 21 0.092 -2.225 10.437 1.00 0.00 H new ATOM 0 HA ALA A 21 1.743 -0.233 11.673 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.343 -2.120 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.724 -2.573 12.415 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.270 -3.102 10.806 1.00 0.00 H new ATOM 227 N ILE A 22 2.231 -0.996 8.542 1.00 0.00 N ATOM 228 CA ILE A 22 2.980 -0.614 7.353 1.00 0.00 C ATOM 229 C ILE A 22 2.858 0.879 7.112 1.00 0.00 C ATOM 230 O ILE A 22 3.854 1.600 7.081 1.00 0.00 O ATOM 231 CB ILE A 22 2.501 -1.362 6.088 1.00 0.00 C ATOM 232 CG1 ILE A 22 1.884 -2.722 6.452 1.00 0.00 C ATOM 233 CG2 ILE A 22 3.666 -1.535 5.129 1.00 0.00 C ATOM 234 CD1 ILE A 22 1.796 -3.695 5.294 1.00 0.00 C ATOM 0 H ILE A 22 1.431 -1.603 8.363 1.00 0.00 H new ATOM 0 HA ILE A 22 4.019 -0.887 7.538 1.00 0.00 H new ATOM 0 HB ILE A 22 1.725 -0.771 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.475 -3.175 7.248 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.883 -2.559 6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.328 -2.063 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.053 -0.556 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.454 -2.111 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.349 -4.629 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.179 -3.266 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.796 -3.892 4.907 1.00 0.00 H new ATOM 238 N ALA A 23 1.623 1.338 6.958 1.00 0.00 N ATOM 239 CA ALA A 23 1.349 2.750 6.732 1.00 0.00 C ATOM 240 C ALA A 23 2.116 3.612 7.728 1.00 0.00 C ATOM 241 O ALA A 23 2.608 4.688 7.394 1.00 0.00 O ATOM 242 CB ALA A 23 -0.146 3.012 6.841 1.00 0.00 C ATOM 0 H ALA A 23 0.791 0.749 6.986 1.00 0.00 H new ATOM 0 HA ALA A 23 1.681 3.015 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.343 4.070 6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.675 2.420 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.493 2.734 7.836 1.00 0.00 H new ATOM 248 N GLU A 24 2.211 3.119 8.956 1.00 0.00 N ATOM 249 CA GLU A 24 2.915 3.824 10.017 1.00 0.00 C ATOM 250 C GLU A 24 4.424 3.610 9.915 1.00 0.00 C ATOM 251 O GLU A 24 5.210 4.494 10.258 1.00 0.00 O ATOM 252 CB GLU A 24 2.418 3.355 11.384 1.00 0.00 C ATOM 253 CG GLU A 24 0.943 3.632 11.623 1.00 0.00 C ATOM 254 CD GLU A 24 0.362 2.774 12.729 1.00 0.00 C ATOM 255 OE1 GLU A 24 0.988 2.687 13.806 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.720 2.186 12.518 1.00 0.00 O ATOM 0 H GLU A 24 1.806 2.228 9.242 1.00 0.00 H new ATOM 0 HA GLU A 24 2.710 4.889 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.598 2.284 11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.002 3.847 12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.811 4.684 11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.389 3.454 10.701 1.00 0.00 H new ATOM 263 N GLU A 25 4.820 2.429 9.452 1.00 0.00 N ATOM 264 CA GLU A 25 6.235 2.091 9.317 1.00 0.00 C ATOM 265 C GLU A 25 6.918 2.966 8.273 1.00 0.00 C ATOM 266 O GLU A 25 7.773 3.789 8.601 1.00 0.00 O ATOM 267 CB GLU A 25 6.394 0.614 8.945 1.00 0.00 C ATOM 268 CG GLU A 25 7.062 -0.218 10.029 1.00 0.00 C ATOM 269 CD GLU A 25 6.387 -0.072 11.378 1.00 0.00 C ATOM 270 OE1 GLU A 25 6.679 0.915 12.085 1.00 0.00 O ATOM 271 OE2 GLU A 25 5.564 -0.945 11.727 1.00 0.00 O ATOM 0 H GLU A 25 4.181 1.688 9.163 1.00 0.00 H new ATOM 0 HA GLU A 25 6.714 2.274 10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.411 0.194 8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.980 0.540 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.052 -1.267 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.107 0.078 10.116 1.00 0.00 H new ATOM 278 N LEU A 26 6.540 2.781 7.012 1.00 0.00 N ATOM 279 CA LEU A 26 7.124 3.555 5.920 1.00 0.00 C ATOM 280 C LEU A 26 6.712 5.016 6.018 1.00 0.00 C ATOM 281 O LEU A 26 7.555 5.912 6.065 1.00 0.00 O ATOM 282 CB LEU A 26 6.706 2.991 4.552 1.00 0.00 C ATOM 283 CG LEU A 26 5.714 1.825 4.575 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.072 1.645 3.211 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.406 0.545 5.021 1.00 0.00 C ATOM 0 H LEU A 26 5.834 2.104 6.721 1.00 0.00 H new ATOM 0 HA LEU A 26 8.208 3.482 6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.270 3.800 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.604 2.666 4.027 1.00 0.00 H new ATOM 0 HG LEU A 26 4.927 2.054 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.370 0.812 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.540 2.556 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.844 1.438 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.686 -0.273 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.214 0.308 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.814 0.682 6.022 1.00 0.00 H new ATOM 291 N GLY A 27 5.407 5.243 6.049 1.00 0.00 N ATOM 292 CA GLY A 27 4.890 6.595 6.141 1.00 0.00 C ATOM 293 C GLY A 27 3.686 6.824 5.246 1.00 0.00 C ATOM 294 O GLY A 27 3.499 7.918 4.714 1.00 0.00 O ATOM 0 H GLY A 27 4.695 4.514 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.614 6.805 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.677 7.300 5.872 1.00 0.00 H new ATOM 298 N TYR A 28 2.864 5.792 5.086 1.00 0.00 N ATOM 299 CA TYR A 28 1.669 5.886 4.257 1.00 0.00 C ATOM 300 C TYR A 28 0.415 5.790 5.119 1.00 0.00 C ATOM 301 O TYR A 28 0.496 5.557 6.324 1.00 0.00 O ATOM 302 CB TYR A 28 1.657 4.768 3.204 1.00 0.00 C ATOM 303 CG TYR A 28 2.646 4.967 2.078 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.012 4.920 2.312 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.209 5.197 0.779 1.00 0.00 C ATOM 306 CE1 TYR A 28 4.920 5.098 1.281 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.108 5.375 -0.256 1.00 0.00 C ATOM 308 CZ TYR A 28 4.461 5.324 0.001 1.00 0.00 C ATOM 309 OH TYR A 28 5.358 5.505 -1.027 1.00 0.00 O ATOM 0 H TYR A 28 3.004 4.880 5.520 1.00 0.00 H new ATOM 0 HA TYR A 28 1.681 6.851 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.869 3.819 3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.655 4.691 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.374 4.742 3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.149 5.237 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.981 5.060 1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.752 5.553 -1.260 1.00 0.00 H new ATOM 0 HH TYR A 28 6.241 5.715 -0.657 1.00 0.00 H new ATOM 319 N ASP A 29 -0.744 5.953 4.490 1.00 0.00 N ATOM 320 CA ASP A 29 -2.016 5.860 5.197 1.00 0.00 C ATOM 321 C ASP A 29 -2.723 4.577 4.791 1.00 0.00 C ATOM 322 O ASP A 29 -3.128 4.424 3.641 1.00 0.00 O ATOM 323 CB ASP A 29 -2.906 7.066 4.889 1.00 0.00 C ATOM 324 CG ASP A 29 -2.332 8.361 5.429 1.00 0.00 C ATOM 325 OD1 ASP A 29 -1.842 8.361 6.578 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.373 9.377 4.702 1.00 0.00 O ATOM 0 H ASP A 29 -0.829 6.150 3.493 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.820 5.851 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.037 7.152 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.895 6.903 5.318 1.00 0.00 H new ATOM 331 N LEU A 30 -2.849 3.647 5.730 1.00 0.00 N ATOM 332 CA LEU A 30 -3.482 2.368 5.441 1.00 0.00 C ATOM 333 C LEU A 30 -4.982 2.422 5.652 1.00 0.00 C ATOM 334 O LEU A 30 -5.457 2.592 6.773 1.00 0.00 O ATOM 335 CB LEU A 30 -2.875 1.265 6.317 1.00 0.00 C ATOM 336 CG LEU A 30 -3.548 -0.122 6.248 1.00 0.00 C ATOM 337 CD1 LEU A 30 -4.207 -0.475 7.571 1.00 0.00 C ATOM 338 CD2 LEU A 30 -4.551 -0.225 5.102 1.00 0.00 C ATOM 0 H LEU A 30 -2.524 3.754 6.691 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.298 2.143 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.827 1.149 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.896 1.603 7.353 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.757 -0.845 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.674 -1.457 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.455 -0.491 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.966 0.270 7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.997 -1.220 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.333 0.522 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.040 -0.051 4.155 1.00 0.00 H new ATOM 344 N LEU A 31 -5.719 2.229 4.560 1.00 0.00 N ATOM 345 CA LEU A 31 -7.160 2.213 4.602 1.00 0.00 C ATOM 346 C LEU A 31 -7.716 1.268 3.551 1.00 0.00 C ATOM 347 O LEU A 31 -7.799 1.599 2.369 1.00 0.00 O ATOM 348 CB LEU A 31 -7.766 3.609 4.392 1.00 0.00 C ATOM 349 CG LEU A 31 -7.223 4.738 5.277 1.00 0.00 C ATOM 350 CD1 LEU A 31 -7.310 4.365 6.748 1.00 0.00 C ATOM 351 CD2 LEU A 31 -5.793 5.092 4.885 1.00 0.00 C ATOM 0 H LEU A 31 -5.326 2.081 3.630 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.437 1.868 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.616 3.892 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.842 3.540 4.551 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.843 5.620 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.919 5.182 7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.350 4.180 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.723 3.465 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.428 5.895 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.156 4.216 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.771 5.419 3.845 1.00 0.00 H new ATOM 357 N GLY A 32 -8.100 0.095 4.001 1.00 0.00 N ATOM 358 CA GLY A 32 -8.665 -0.899 3.108 1.00 0.00 C ATOM 359 C GLY A 32 -9.659 -1.805 3.807 1.00 0.00 C ATOM 360 O GLY A 32 -9.272 -2.721 4.530 1.00 0.00 O ATOM 0 H GLY A 32 -8.033 -0.196 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.158 -0.397 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.862 -1.503 2.686 1.00 0.00 H new ATOM 364 N GLN A 33 -10.943 -1.545 3.596 1.00 0.00 N ATOM 365 CA GLN A 33 -11.994 -2.347 4.209 1.00 0.00 C ATOM 366 C GLN A 33 -13.249 -2.343 3.347 1.00 0.00 C ATOM 367 O GLN A 33 -14.178 -1.576 3.600 1.00 0.00 O ATOM 368 CB GLN A 33 -12.316 -1.821 5.609 1.00 0.00 C ATOM 369 CG GLN A 33 -11.082 -1.530 6.447 1.00 0.00 C ATOM 370 CD GLN A 33 -11.426 -1.079 7.853 1.00 0.00 C ATOM 371 OE1 GLN A 33 -12.598 -0.976 8.216 1.00 0.00 O ATOM 372 NE2 GLN A 33 -10.402 -0.807 8.653 1.00 0.00 N ATOM 0 H GLN A 33 -11.282 -0.785 3.005 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.635 -3.373 4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.907 -0.910 5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.935 -2.552 6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.462 -2.425 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.488 -0.759 5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.447 -0.906 8.310 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.571 -0.499 9.611 1.00 0.00 H new ATOM 379 N ILE A 34 -13.280 -3.198 2.330 1.00 0.00 N ATOM 380 CA ILE A 34 -14.434 -3.265 1.451 1.00 0.00 C ATOM 381 C ILE A 34 -15.479 -4.253 1.969 1.00 0.00 C ATOM 382 O ILE A 34 -16.632 -4.235 1.539 1.00 0.00 O ATOM 383 CB ILE A 34 -14.027 -3.628 0.012 1.00 0.00 C ATOM 384 CG1 ILE A 34 -13.291 -4.962 -0.027 1.00 0.00 C ATOM 385 CG2 ILE A 34 -13.170 -2.526 -0.592 1.00 0.00 C ATOM 386 CD1 ILE A 34 -14.219 -6.140 0.099 1.00 0.00 C ATOM 0 H ILE A 34 -12.527 -3.846 2.098 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.881 -2.271 1.440 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.935 -3.727 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.737 -5.040 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.559 -4.993 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.891 -2.799 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.734 -1.594 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.270 -2.395 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.641 -7.064 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.755 -6.082 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.934 -6.129 -0.723 1.00 0.00 H new ATOM 390 N GLY A 35 -15.072 -5.093 2.913 1.00 0.00 N ATOM 391 CA GLY A 35 -15.985 -6.060 3.505 1.00 0.00 C ATOM 392 C GLY A 35 -16.222 -7.295 2.649 1.00 0.00 C ATOM 393 O GLY A 35 -16.140 -8.419 3.143 1.00 0.00 O ATOM 0 H GLY A 35 -14.122 -5.124 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.590 -6.372 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.942 -5.573 3.693 1.00 0.00 H new ATOM 397 N SER A 36 -16.538 -7.086 1.372 1.00 0.00 N ATOM 398 CA SER A 36 -16.814 -8.183 0.440 1.00 0.00 C ATOM 399 C SER A 36 -15.899 -9.393 0.657 1.00 0.00 C ATOM 400 O SER A 36 -16.286 -10.527 0.379 1.00 0.00 O ATOM 401 CB SER A 36 -16.679 -7.692 -1.002 1.00 0.00 C ATOM 402 OG SER A 36 -17.206 -6.385 -1.148 1.00 0.00 O ATOM 0 H SER A 36 -16.610 -6.158 0.954 1.00 0.00 H new ATOM 0 HA SER A 36 -17.836 -8.510 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.629 -7.699 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.201 -8.375 -1.672 1.00 0.00 H new ATOM 0 HG SER A 36 -17.106 -6.094 -2.078 1.00 0.00 H new ATOM 408 N LEU A 37 -14.684 -9.149 1.139 1.00 0.00 N ATOM 409 CA LEU A 37 -13.726 -10.230 1.369 1.00 0.00 C ATOM 410 C LEU A 37 -13.054 -10.137 2.735 1.00 0.00 C ATOM 411 O LEU A 37 -12.344 -11.056 3.143 1.00 0.00 O ATOM 412 CB LEU A 37 -12.650 -10.222 0.283 1.00 0.00 C ATOM 413 CG LEU A 37 -12.099 -8.838 -0.090 1.00 0.00 C ATOM 414 CD1 LEU A 37 -11.850 -7.983 1.146 1.00 0.00 C ATOM 415 CD2 LEU A 37 -10.816 -8.978 -0.882 1.00 0.00 C ATOM 0 H LEU A 37 -14.339 -8.219 1.377 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.292 -11.161 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.820 -10.847 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.061 -10.685 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.850 -8.340 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.460 -7.011 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.786 -7.846 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.126 -8.479 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.437 -7.989 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.074 -9.506 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.012 -9.540 -1.795 1.00 0.00 H new ATOM 421 N GLU A 38 -13.269 -9.027 3.431 1.00 0.00 N ATOM 422 CA GLU A 38 -12.673 -8.810 4.745 1.00 0.00 C ATOM 423 C GLU A 38 -11.232 -9.303 4.797 1.00 0.00 C ATOM 424 O GLU A 38 -10.948 -10.387 5.305 1.00 0.00 O ATOM 425 CB GLU A 38 -13.497 -9.503 5.808 1.00 0.00 C ATOM 426 CG GLU A 38 -13.779 -10.957 5.490 1.00 0.00 C ATOM 427 CD GLU A 38 -14.440 -11.692 6.639 1.00 0.00 C ATOM 428 OE1 GLU A 38 -13.739 -12.004 7.625 1.00 0.00 O ATOM 429 OE2 GLU A 38 -15.657 -11.957 6.553 1.00 0.00 O ATOM 0 H GLU A 38 -13.855 -8.259 3.105 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.664 -7.737 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.974 -9.441 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.442 -8.974 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.421 -11.014 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.844 -11.456 5.235 1.00 0.00 H new ATOM 436 N ASN A 39 -10.329 -8.493 4.265 1.00 0.00 N ATOM 437 CA ASN A 39 -8.904 -8.829 4.234 1.00 0.00 C ATOM 438 C ASN A 39 -8.106 -7.796 3.439 1.00 0.00 C ATOM 439 O ASN A 39 -6.913 -7.609 3.663 1.00 0.00 O ATOM 440 CB ASN A 39 -8.706 -10.245 3.659 1.00 0.00 C ATOM 441 CG ASN A 39 -8.156 -10.255 2.243 1.00 0.00 C ATOM 442 OD1 ASN A 39 -7.127 -10.870 1.969 1.00 0.00 O ATOM 443 ND2 ASN A 39 -8.848 -9.577 1.338 1.00 0.00 N ATOM 0 H ASN A 39 -10.555 -7.591 3.845 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.526 -8.813 5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.028 -10.800 4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.661 -10.770 3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.532 -9.551 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.697 -9.081 1.611 1.00 0.00 H new ATOM 448 N HIS A 40 -8.775 -7.138 2.515 1.00 0.00 N ATOM 449 CA HIS A 40 -8.156 -6.122 1.678 1.00 0.00 C ATOM 450 C HIS A 40 -7.686 -4.937 2.515 1.00 0.00 C ATOM 451 O HIS A 40 -8.345 -4.543 3.474 1.00 0.00 O ATOM 452 CB HIS A 40 -9.144 -5.645 0.608 1.00 0.00 C ATOM 453 CG HIS A 40 -8.557 -4.656 -0.350 1.00 0.00 C ATOM 454 ND1 HIS A 40 -8.034 -5.013 -1.576 1.00 0.00 N ATOM 455 CD2 HIS A 40 -8.415 -3.312 -0.261 1.00 0.00 C ATOM 456 CE1 HIS A 40 -7.595 -3.934 -2.197 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.814 -2.889 -1.420 1.00 0.00 N ATOM 0 H HIS A 40 -9.765 -7.290 2.320 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.287 -6.566 1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.507 -6.508 0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.008 -5.196 1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.718 -2.689 0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.135 -3.910 -3.174 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.575 -1.923 -1.645 1.00 0.00 H new ATOM 466 N TYR A 41 -6.544 -4.375 2.138 1.00 0.00 N ATOM 467 CA TYR A 41 -5.971 -3.228 2.837 1.00 0.00 C ATOM 468 C TYR A 41 -5.149 -2.392 1.855 1.00 0.00 C ATOM 469 O TYR A 41 -4.246 -2.915 1.200 1.00 0.00 O ATOM 470 CB TYR A 41 -5.114 -3.705 4.014 1.00 0.00 C ATOM 471 CG TYR A 41 -5.918 -3.969 5.275 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.544 -5.194 5.476 1.00 0.00 C ATOM 473 CD2 TYR A 41 -6.056 -2.997 6.261 1.00 0.00 C ATOM 474 CE1 TYR A 41 -7.280 -5.442 6.618 1.00 0.00 C ATOM 475 CE2 TYR A 41 -6.790 -3.240 7.406 1.00 0.00 C ATOM 476 CZ TYR A 41 -7.401 -4.463 7.579 1.00 0.00 C ATOM 477 OH TYR A 41 -8.134 -4.707 8.718 1.00 0.00 O ATOM 0 H TYR A 41 -5.991 -4.698 1.344 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.770 -2.604 3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.591 -4.617 3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.353 -2.955 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.453 -5.965 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.581 -2.036 6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.759 -6.400 6.757 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.885 -2.475 8.162 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.118 -3.914 9.293 1.00 0.00 H new ATOM 487 N LEU A 42 -5.474 -1.103 1.724 1.00 0.00 N ATOM 488 CA LEU A 42 -4.759 -0.241 0.781 1.00 0.00 C ATOM 489 C LEU A 42 -4.109 0.945 1.482 1.00 0.00 C ATOM 490 O LEU A 42 -4.653 1.489 2.437 1.00 0.00 O ATOM 491 CB LEU A 42 -5.722 0.241 -0.316 1.00 0.00 C ATOM 492 CG LEU A 42 -5.678 1.740 -0.651 1.00 0.00 C ATOM 493 CD1 LEU A 42 -5.697 1.955 -2.156 1.00 0.00 C ATOM 494 CD2 LEU A 42 -6.843 2.458 0.011 1.00 0.00 C ATOM 0 H LEU A 42 -6.215 -0.640 2.250 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.959 -0.826 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.511 -0.319 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.738 -0.012 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.748 2.157 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.665 3.023 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.831 1.469 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.609 1.528 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.802 3.520 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.782 2.038 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.782 2.332 1.092 1.00 0.00 H new ATOM 500 N PHE A 43 -2.948 1.355 0.978 1.00 0.00 N ATOM 501 CA PHE A 43 -2.231 2.493 1.535 1.00 0.00 C ATOM 502 C PHE A 43 -2.179 3.632 0.522 1.00 0.00 C ATOM 503 O PHE A 43 -2.303 3.407 -0.681 1.00 0.00 O ATOM 504 CB PHE A 43 -0.804 2.105 1.944 1.00 0.00 C ATOM 505 CG PHE A 43 -0.690 0.771 2.633 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.771 0.206 3.284 1.00 0.00 C ATOM 507 CD2 PHE A 43 0.509 0.084 2.623 1.00 0.00 C ATOM 508 CE1 PHE A 43 -1.659 -1.018 3.912 1.00 0.00 C ATOM 509 CE2 PHE A 43 0.630 -1.139 3.248 1.00 0.00 C ATOM 510 CZ PHE A 43 -0.456 -1.693 3.893 1.00 0.00 C ATOM 0 H PHE A 43 -2.485 0.914 0.183 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.769 2.821 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.175 2.094 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.407 2.876 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.716 0.729 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.363 0.511 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.512 -1.447 4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.574 -1.663 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.365 -2.652 4.381 1.00 0.00 H new ATOM 520 N LYS A 44 -1.996 4.853 1.011 1.00 0.00 N ATOM 521 CA LYS A 44 -1.928 6.016 0.136 1.00 0.00 C ATOM 522 C LYS A 44 -1.035 7.099 0.731 1.00 0.00 C ATOM 523 O LYS A 44 -1.245 7.541 1.861 1.00 0.00 O ATOM 524 CB LYS A 44 -3.328 6.576 -0.120 1.00 0.00 C ATOM 525 CG LYS A 44 -4.129 5.773 -1.131 1.00 0.00 C ATOM 526 CD LYS A 44 -5.151 4.884 -0.447 1.00 0.00 C ATOM 527 CE LYS A 44 -6.244 5.701 0.223 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.417 5.900 -0.674 1.00 0.00 N ATOM 0 H LYS A 44 -1.893 5.062 2.004 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.495 5.696 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.875 6.608 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.240 7.604 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.636 6.451 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.454 5.161 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.596 4.211 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.653 4.262 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.566 5.198 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.843 6.671 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.817 6.847 -0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.115 5.811 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.139 5.181 -0.466 1.00 0.00 H new ATOM 542 N HIS A 45 -0.039 7.522 -0.040 1.00 0.00 N ATOM 543 CA HIS A 45 0.889 8.553 0.405 1.00 0.00 C ATOM 544 C HIS A 45 1.831 8.951 -0.723 1.00 0.00 C ATOM 545 O HIS A 45 2.804 8.253 -1.009 1.00 0.00 O ATOM 546 CB HIS A 45 1.692 8.063 1.608 1.00 0.00 C ATOM 547 CG HIS A 45 1.770 9.064 2.720 1.00 0.00 C ATOM 548 ND1 HIS A 45 0.911 9.059 3.798 1.00 0.00 N ATOM 549 CD2 HIS A 45 2.612 10.105 2.916 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.220 10.055 4.609 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.250 10.704 4.097 1.00 0.00 N ATOM 0 H HIS A 45 0.146 7.165 -0.978 1.00 0.00 H new ATOM 0 HA HIS A 45 0.310 9.428 0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.242 7.145 1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.702 7.812 1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 45 3.418 10.408 2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.716 10.297 5.533 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.703 11.518 4.512 1.00 0.00 H new ATOM 560 N LYS A 46 1.535 10.074 -1.364 1.00 0.00 N ATOM 561 CA LYS A 46 2.354 10.561 -2.466 1.00 0.00 C ATOM 562 C LYS A 46 3.081 11.844 -2.083 1.00 0.00 C ATOM 563 O LYS A 46 2.545 12.942 -2.236 1.00 0.00 O ATOM 564 CB LYS A 46 1.489 10.803 -3.706 1.00 0.00 C ATOM 565 CG LYS A 46 0.375 9.782 -3.884 1.00 0.00 C ATOM 566 CD LYS A 46 -0.994 10.402 -3.656 1.00 0.00 C ATOM 567 CE LYS A 46 -2.099 9.361 -3.746 1.00 0.00 C ATOM 568 NZ LYS A 46 -2.274 8.626 -2.462 1.00 0.00 N ATOM 0 H LYS A 46 0.734 10.665 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 46 3.099 9.798 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.050 11.799 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.126 10.790 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.422 9.363 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.522 8.957 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.020 10.878 -2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.168 11.184 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.036 9.848 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.867 8.653 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.708 7.699 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.347 8.490 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.890 9.175 -1.829 1.00 0.00 H new ATOM 582 N SER A 47 4.307 11.703 -1.588 1.00 0.00 N ATOM 583 CA SER A 47 5.107 12.855 -1.192 1.00 0.00 C ATOM 584 C SER A 47 5.272 13.817 -2.365 1.00 0.00 C ATOM 585 O SER A 47 5.408 15.027 -2.179 1.00 0.00 O ATOM 586 CB SER A 47 6.478 12.402 -0.686 1.00 0.00 C ATOM 587 OG SER A 47 6.877 13.153 0.447 1.00 0.00 O ATOM 0 H SER A 47 4.767 10.803 -1.452 1.00 0.00 H new ATOM 0 HA SER A 47 4.589 13.374 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.443 11.343 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.217 12.514 -1.479 1.00 0.00 H new ATOM 0 HG SER A 47 7.755 12.843 0.752 1.00 0.00 H new ATOM 593 N HIS A 48 5.254 13.263 -3.573 1.00 0.00 N ATOM 594 CA HIS A 48 5.395 14.056 -4.788 1.00 0.00 C ATOM 595 C HIS A 48 4.505 13.490 -5.893 1.00 0.00 C ATOM 596 O HIS A 48 4.965 12.721 -6.737 1.00 0.00 O ATOM 597 CB HIS A 48 6.854 14.073 -5.248 1.00 0.00 C ATOM 598 CG HIS A 48 7.511 12.727 -5.204 1.00 0.00 C ATOM 599 ND1 HIS A 48 6.807 11.542 -5.257 1.00 0.00 N ATOM 600 CD2 HIS A 48 8.818 12.381 -5.113 1.00 0.00 C ATOM 601 CE1 HIS A 48 7.651 10.526 -5.199 1.00 0.00 C ATOM 602 NE2 HIS A 48 8.876 11.009 -5.111 1.00 0.00 N ATOM 0 H HIS A 48 5.142 12.262 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 48 5.085 15.078 -4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.901 14.458 -6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.417 14.764 -4.620 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.793 11.462 -5.330 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.657 13.058 -5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.384 9.480 -5.220 1.00 0.00 H new ATOM 611 N PRO A 49 3.211 13.856 -5.895 1.00 0.00 N ATOM 612 CA PRO A 49 2.257 13.371 -6.897 1.00 0.00 C ATOM 613 C PRO A 49 2.599 13.842 -8.305 1.00 0.00 C ATOM 614 O PRO A 49 2.073 14.849 -8.779 1.00 0.00 O ATOM 615 CB PRO A 49 0.918 13.961 -6.444 1.00 0.00 C ATOM 616 CG PRO A 49 1.278 15.124 -5.583 1.00 0.00 C ATOM 617 CD PRO A 49 2.577 14.761 -4.921 1.00 0.00 C ATOM 0 HA PRO A 49 2.256 12.283 -6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.316 14.273 -7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.331 13.228 -5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.383 16.032 -6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.502 15.316 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.191 15.641 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.416 14.270 -3.961 1.00 0.00 H new ATOM 625 N ARG A 50 3.478 13.102 -8.972 1.00 0.00 N ATOM 626 CA ARG A 50 3.887 13.437 -10.329 1.00 0.00 C ATOM 627 C ARG A 50 3.442 12.354 -11.304 1.00 0.00 C ATOM 628 O ARG A 50 3.828 11.192 -11.174 1.00 0.00 O ATOM 629 CB ARG A 50 5.406 13.617 -10.401 1.00 0.00 C ATOM 630 CG ARG A 50 5.854 15.063 -10.271 1.00 0.00 C ATOM 631 CD ARG A 50 7.369 15.182 -10.306 1.00 0.00 C ATOM 632 NE ARG A 50 7.806 16.438 -10.913 1.00 0.00 N ATOM 633 CZ ARG A 50 9.023 16.954 -10.752 1.00 0.00 C ATOM 634 NH1 ARG A 50 9.925 16.328 -10.008 1.00 0.00 N ATOM 635 NH2 ARG A 50 9.338 18.100 -11.340 1.00 0.00 N ATOM 0 H ARG A 50 3.921 12.265 -8.593 1.00 0.00 H new ATOM 0 HA ARG A 50 3.409 14.376 -10.608 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.871 13.029 -9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.766 13.218 -11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.423 15.653 -11.080 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.477 15.479 -9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.761 15.114 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.786 14.345 -10.866 1.00 0.00 H new ATOM 0 HE ARG A 50 7.140 16.949 -11.493 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.688 15.445 -9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.855 16.729 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.649 18.585 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.270 18.497 -11.218 1.00 0.00 H new ATOM 649 N ARG A 51 2.625 12.737 -12.279 1.00 0.00 N ATOM 650 CA ARG A 51 2.126 11.791 -13.272 1.00 0.00 C ATOM 651 C ARG A 51 3.276 11.033 -13.929 1.00 0.00 C ATOM 652 O ARG A 51 4.053 11.603 -14.693 1.00 0.00 O ATOM 653 CB ARG A 51 1.305 12.520 -14.336 1.00 0.00 C ATOM 654 CG ARG A 51 0.215 11.661 -14.956 1.00 0.00 C ATOM 655 CD ARG A 51 -0.095 12.097 -16.379 1.00 0.00 C ATOM 656 NE ARG A 51 -1.350 11.527 -16.864 1.00 0.00 N ATOM 657 CZ ARG A 51 -2.552 11.943 -16.475 1.00 0.00 C ATOM 658 NH1 ARG A 51 -2.668 12.931 -15.597 1.00 0.00 N ATOM 659 NH2 ARG A 51 -3.644 11.370 -16.965 1.00 0.00 N ATOM 0 H ARG A 51 2.294 13.694 -12.403 1.00 0.00 H new ATOM 0 HA ARG A 51 1.486 11.071 -12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.850 13.404 -13.890 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.973 12.869 -15.123 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.528 10.617 -14.954 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.689 11.724 -14.350 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.150 13.185 -16.421 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.719 11.794 -17.037 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.301 10.765 -17.541 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.833 13.376 -15.217 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.592 13.246 -15.303 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.562 10.610 -17.640 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.565 11.689 -16.666 1.00 0.00 H new ATOM 673 N SER A 52 3.377 9.743 -13.616 1.00 0.00 N ATOM 674 CA SER A 52 4.432 8.892 -14.163 1.00 0.00 C ATOM 675 C SER A 52 5.746 9.133 -13.430 1.00 0.00 C ATOM 676 O SER A 52 6.813 9.184 -14.040 1.00 0.00 O ATOM 677 CB SER A 52 4.615 9.142 -15.665 1.00 0.00 C ATOM 678 OG SER A 52 4.892 7.934 -16.352 1.00 0.00 O ATOM 0 H SER A 52 2.738 9.262 -12.983 1.00 0.00 H new ATOM 0 HA SER A 52 4.133 7.853 -14.020 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.713 9.598 -16.074 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.429 9.849 -15.823 1.00 0.00 H new ATOM 0 HG SER A 52 5.003 8.119 -17.308 1.00 0.00 H new ATOM 684 N ARG A 53 5.655 9.282 -12.113 1.00 0.00 N ATOM 685 CA ARG A 53 6.831 9.519 -11.285 1.00 0.00 C ATOM 686 C ARG A 53 7.694 8.265 -11.191 1.00 0.00 C ATOM 687 O ARG A 53 8.919 8.348 -11.087 1.00 0.00 O ATOM 688 CB ARG A 53 6.405 9.980 -9.886 1.00 0.00 C ATOM 689 CG ARG A 53 5.903 8.855 -8.991 1.00 0.00 C ATOM 690 CD ARG A 53 4.681 9.276 -8.191 1.00 0.00 C ATOM 691 NE ARG A 53 4.770 8.855 -6.793 1.00 0.00 N ATOM 692 CZ ARG A 53 4.823 7.584 -6.402 1.00 0.00 C ATOM 693 NH1 ARG A 53 4.793 6.602 -7.297 1.00 0.00 N ATOM 694 NH2 ARG A 53 4.905 7.291 -5.111 1.00 0.00 N ATOM 0 H ARG A 53 4.777 9.243 -11.595 1.00 0.00 H new ATOM 0 HA ARG A 53 7.426 10.304 -11.751 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.251 10.466 -9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.620 10.730 -9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.657 7.986 -9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.697 8.550 -8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.573 10.360 -8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.786 8.847 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 53 4.793 9.579 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.729 6.820 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.834 5.630 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.927 8.040 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.946 6.317 -4.811 1.00 0.00 H new ATOM 708 N ARG A 54 7.048 7.101 -11.225 1.00 0.00 N ATOM 709 CA ARG A 54 7.757 5.828 -11.140 1.00 0.00 C ATOM 710 C ARG A 54 8.694 5.807 -9.935 1.00 0.00 C ATOM 711 O ARG A 54 9.859 5.428 -10.048 1.00 0.00 O ATOM 712 CB ARG A 54 8.550 5.576 -12.424 1.00 0.00 C ATOM 713 CG ARG A 54 7.675 5.294 -13.635 1.00 0.00 C ATOM 714 CD ARG A 54 7.144 3.869 -13.623 1.00 0.00 C ATOM 715 NE ARG A 54 7.785 3.037 -14.639 1.00 0.00 N ATOM 716 CZ ARG A 54 7.473 3.074 -15.931 1.00 0.00 C ATOM 717 NH1 ARG A 54 6.533 3.901 -16.371 1.00 0.00 N ATOM 718 NH2 ARG A 54 8.104 2.283 -16.788 1.00 0.00 N ATOM 0 H ARG A 54 6.035 7.014 -11.311 1.00 0.00 H new ATOM 0 HA ARG A 54 7.019 5.036 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.174 6.445 -12.632 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.221 4.732 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.840 5.994 -13.652 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.249 5.461 -14.546 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.307 3.430 -12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.067 3.882 -13.792 1.00 0.00 H new ATOM 0 HE ARG A 54 8.514 2.390 -14.340 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.045 4.513 -15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.298 3.925 -17.363 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.828 1.646 -16.456 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.865 2.311 -17.779 1.00 0.00 H new ATOM 732 N SER A 55 8.177 6.224 -8.783 1.00 0.00 N ATOM 733 CA SER A 55 8.972 6.258 -7.561 1.00 0.00 C ATOM 734 C SER A 55 8.204 5.673 -6.379 1.00 0.00 C ATOM 735 O SER A 55 7.018 5.945 -6.196 1.00 0.00 O ATOM 736 CB SER A 55 9.397 7.694 -7.247 1.00 0.00 C ATOM 737 OG SER A 55 10.456 8.109 -8.093 1.00 0.00 O ATOM 0 H SER A 55 7.214 6.542 -8.671 1.00 0.00 H new ATOM 0 HA SER A 55 9.859 5.646 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.546 8.364 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.710 7.764 -6.205 1.00 0.00 H new ATOM 0 HG SER A 55 10.708 9.030 -7.874 1.00 0.00 H new ATOM 743 N ALA A 56 8.899 4.874 -5.579 1.00 0.00 N ATOM 744 CA ALA A 56 8.308 4.246 -4.403 1.00 0.00 C ATOM 745 C ALA A 56 9.360 3.432 -3.659 1.00 0.00 C ATOM 746 O ALA A 56 9.862 2.433 -4.172 1.00 0.00 O ATOM 747 CB ALA A 56 7.128 3.370 -4.796 1.00 0.00 C ATOM 0 H ALA A 56 9.882 4.644 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 56 7.940 5.028 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.702 2.911 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.370 3.980 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.465 2.590 -5.479 1.00 0.00 H new ATOM 753 N LEU A 57 9.703 3.877 -2.456 1.00 0.00 N ATOM 754 CA LEU A 57 10.714 3.198 -1.654 1.00 0.00 C ATOM 755 C LEU A 57 10.132 2.652 -0.352 1.00 0.00 C ATOM 756 O LEU A 57 10.205 1.454 -0.082 1.00 0.00 O ATOM 757 CB LEU A 57 11.854 4.159 -1.337 1.00 0.00 C ATOM 758 CG LEU A 57 11.409 5.530 -0.831 1.00 0.00 C ATOM 759 CD1 LEU A 57 11.953 5.788 0.563 1.00 0.00 C ATOM 760 CD2 LEU A 57 11.839 6.618 -1.795 1.00 0.00 C ATOM 0 H LEU A 57 9.297 4.703 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 57 11.087 2.355 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.499 3.702 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.456 4.296 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 57 10.321 5.541 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.625 6.769 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.583 5.023 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.042 5.757 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.513 7.588 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.925 6.612 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.388 6.438 -2.771 1.00 0.00 H new ATOM 766 N HIS A 58 9.564 3.544 0.455 1.00 0.00 N ATOM 767 CA HIS A 58 8.977 3.158 1.733 1.00 0.00 C ATOM 768 C HIS A 58 7.873 2.133 1.526 1.00 0.00 C ATOM 769 O HIS A 58 7.652 1.260 2.366 1.00 0.00 O ATOM 770 CB HIS A 58 8.418 4.378 2.489 1.00 0.00 C ATOM 771 CG HIS A 58 8.701 5.702 1.846 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.040 6.144 0.719 1.00 0.00 N ATOM 773 CD2 HIS A 58 9.572 6.683 2.179 1.00 0.00 C ATOM 774 CE1 HIS A 58 8.494 7.340 0.385 1.00 0.00 C ATOM 775 NE2 HIS A 58 9.424 7.689 1.255 1.00 0.00 N ATOM 0 H HIS A 58 9.498 4.540 0.245 1.00 0.00 H new ATOM 0 HA HIS A 58 9.770 2.716 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.339 4.262 2.589 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.833 4.384 3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.256 6.676 3.015 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.161 7.931 -0.456 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.948 8.564 1.243 1.00 0.00 H new ATOM 784 N ILE A 59 7.182 2.243 0.400 1.00 0.00 N ATOM 785 CA ILE A 59 6.101 1.327 0.083 1.00 0.00 C ATOM 786 C ILE A 59 6.617 0.118 -0.704 1.00 0.00 C ATOM 787 O ILE A 59 5.840 -0.711 -1.178 1.00 0.00 O ATOM 788 CB ILE A 59 4.956 2.075 -0.659 1.00 0.00 C ATOM 789 CG1 ILE A 59 3.796 2.295 0.308 1.00 0.00 C ATOM 790 CG2 ILE A 59 4.467 1.341 -1.903 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.102 1.015 0.697 1.00 0.00 C ATOM 0 H ILE A 59 7.352 2.958 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 59 5.685 0.939 1.013 1.00 0.00 H new ATOM 0 HB ILE A 59 5.358 3.028 -1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.168 2.788 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.072 2.970 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.669 1.915 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.293 1.224 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.089 0.358 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.287 1.238 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.702 0.532 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.814 0.348 1.182 1.00 0.00 H new ATOM 795 N THR A 60 7.941 0.006 -0.808 1.00 0.00 N ATOM 796 CA THR A 60 8.559 -1.114 -1.505 1.00 0.00 C ATOM 797 C THR A 60 9.452 -1.907 -0.554 1.00 0.00 C ATOM 798 O THR A 60 10.480 -2.450 -0.960 1.00 0.00 O ATOM 799 CB THR A 60 9.375 -0.617 -2.700 1.00 0.00 C ATOM 800 OG1 THR A 60 10.377 0.289 -2.278 1.00 0.00 O ATOM 801 CG2 THR A 60 8.536 0.079 -3.749 1.00 0.00 C ATOM 0 H THR A 60 8.602 0.677 -0.418 1.00 0.00 H new ATOM 0 HA THR A 60 7.768 -1.769 -1.870 1.00 0.00 H new ATOM 0 HB THR A 60 9.813 -1.511 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.337 0.390 -1.304 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.176 0.406 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.783 -0.611 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.043 0.944 -3.306 1.00 0.00 H new ATOM 806 N LYS A 61 9.054 -1.964 0.715 1.00 0.00 N ATOM 807 CA LYS A 61 9.821 -2.687 1.729 1.00 0.00 C ATOM 808 C LYS A 61 8.901 -3.430 2.692 1.00 0.00 C ATOM 809 O LYS A 61 8.730 -4.645 2.586 1.00 0.00 O ATOM 810 CB LYS A 61 10.734 -1.727 2.509 1.00 0.00 C ATOM 811 CG LYS A 61 10.189 -0.306 2.642 1.00 0.00 C ATOM 812 CD LYS A 61 10.002 0.095 4.100 1.00 0.00 C ATOM 813 CE LYS A 61 10.468 1.520 4.358 1.00 0.00 C ATOM 814 NZ LYS A 61 11.269 1.625 5.609 1.00 0.00 N ATOM 0 H LYS A 61 8.206 -1.519 1.066 1.00 0.00 H new ATOM 0 HA LYS A 61 10.440 -3.420 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.901 -2.134 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.705 -1.686 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.872 0.392 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.235 -0.232 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.950 0.002 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.558 -0.591 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.066 1.865 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.602 2.178 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.567 2.612 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.691 1.320 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.109 1.016 5.535 1.00 0.00 H new ATOM 828 N ARG A 62 8.315 -2.699 3.631 1.00 0.00 N ATOM 829 CA ARG A 62 7.417 -3.295 4.612 1.00 0.00 C ATOM 830 C ARG A 62 6.083 -3.673 3.977 1.00 0.00 C ATOM 831 O ARG A 62 5.267 -4.349 4.595 1.00 0.00 O ATOM 832 CB ARG A 62 7.183 -2.332 5.776 1.00 0.00 C ATOM 833 CG ARG A 62 7.140 -3.019 7.131 1.00 0.00 C ATOM 834 CD ARG A 62 8.482 -3.637 7.488 1.00 0.00 C ATOM 835 NE ARG A 62 8.433 -5.097 7.479 1.00 0.00 N ATOM 836 CZ ARG A 62 7.782 -5.823 8.385 1.00 0.00 C ATOM 837 NH1 ARG A 62 7.120 -5.228 9.371 1.00 0.00 N ATOM 838 NH2 ARG A 62 7.793 -7.146 8.306 1.00 0.00 N ATOM 0 H ARG A 62 8.445 -1.693 3.734 1.00 0.00 H new ATOM 0 HA ARG A 62 7.889 -4.202 4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.975 -1.583 5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.244 -1.802 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.856 -2.297 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.373 -3.793 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.238 -3.295 6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.789 -3.291 8.475 1.00 0.00 H new ATOM 0 HE ARG A 62 8.927 -5.589 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.109 -4.210 9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.623 -5.789 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.300 -7.608 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.294 -7.703 9.000 1.00 0.00 H new ATOM 852 N LEU A 63 5.867 -3.239 2.740 1.00 0.00 N ATOM 853 CA LEU A 63 4.635 -3.545 2.031 1.00 0.00 C ATOM 854 C LEU A 63 4.665 -4.987 1.556 1.00 0.00 C ATOM 855 O LEU A 63 3.895 -5.824 2.027 1.00 0.00 O ATOM 856 CB LEU A 63 4.465 -2.574 0.847 1.00 0.00 C ATOM 857 CG LEU A 63 3.159 -2.664 0.044 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.739 -4.108 -0.185 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.053 -1.875 0.731 1.00 0.00 C ATOM 0 H LEU A 63 6.531 -2.674 2.210 1.00 0.00 H new ATOM 0 HA LEU A 63 3.783 -3.422 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.557 -1.557 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.296 -2.732 0.159 1.00 0.00 H new ATOM 0 HG LEU A 63 3.340 -2.221 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.811 -4.131 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.519 -4.630 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.586 -4.599 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.136 -1.951 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.883 -2.280 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.348 -0.829 0.810 1.00 0.00 H new ATOM 865 N SER A 64 5.563 -5.274 0.627 1.00 0.00 N ATOM 866 CA SER A 64 5.693 -6.623 0.099 1.00 0.00 C ATOM 867 C SER A 64 6.110 -7.580 1.209 1.00 0.00 C ATOM 868 O SER A 64 5.723 -8.749 1.220 1.00 0.00 O ATOM 869 CB SER A 64 6.718 -6.657 -1.036 1.00 0.00 C ATOM 870 OG SER A 64 8.041 -6.700 -0.529 1.00 0.00 O ATOM 0 H SER A 64 6.209 -4.595 0.225 1.00 0.00 H new ATOM 0 HA SER A 64 4.727 -6.937 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.538 -7.528 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.596 -5.777 -1.667 1.00 0.00 H new ATOM 0 HG SER A 64 8.677 -6.723 -1.275 1.00 0.00 H new ATOM 876 N ASP A 65 6.899 -7.066 2.147 1.00 0.00 N ATOM 877 CA ASP A 65 7.374 -7.864 3.266 1.00 0.00 C ATOM 878 C ASP A 65 6.226 -8.285 4.178 1.00 0.00 C ATOM 879 O ASP A 65 6.111 -9.457 4.535 1.00 0.00 O ATOM 880 CB ASP A 65 8.414 -7.081 4.070 1.00 0.00 C ATOM 881 CG ASP A 65 9.769 -7.056 3.390 1.00 0.00 C ATOM 882 OD1 ASP A 65 9.807 -7.060 2.143 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.792 -7.034 4.107 1.00 0.00 O ATOM 0 H ASP A 65 7.222 -6.099 2.152 1.00 0.00 H new ATOM 0 HA ASP A 65 7.833 -8.765 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.064 -6.059 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.515 -7.526 5.060 1.00 0.00 H new ATOM 888 N ASP A 66 5.382 -7.330 4.566 1.00 0.00 N ATOM 889 CA ASP A 66 4.258 -7.634 5.451 1.00 0.00 C ATOM 890 C ASP A 66 3.066 -8.202 4.686 1.00 0.00 C ATOM 891 O ASP A 66 2.395 -9.124 5.155 1.00 0.00 O ATOM 892 CB ASP A 66 3.831 -6.389 6.229 1.00 0.00 C ATOM 893 CG ASP A 66 4.654 -6.183 7.486 1.00 0.00 C ATOM 894 OD1 ASP A 66 5.221 -7.174 7.994 1.00 0.00 O ATOM 895 OD2 ASP A 66 4.730 -5.031 7.963 1.00 0.00 O ATOM 0 H ASP A 66 5.453 -6.352 4.286 1.00 0.00 H new ATOM 0 HA ASP A 66 4.600 -8.396 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.926 -5.513 5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.778 -6.475 6.497 1.00 0.00 H new ATOM 900 N ASP A 67 2.793 -7.643 3.511 1.00 0.00 N ATOM 901 CA ASP A 67 1.667 -8.094 2.711 1.00 0.00 C ATOM 902 C ASP A 67 1.913 -9.457 2.086 1.00 0.00 C ATOM 903 O ASP A 67 1.072 -9.956 1.339 1.00 0.00 O ATOM 904 CB ASP A 67 1.302 -7.076 1.638 1.00 0.00 C ATOM 905 CG ASP A 67 -0.202 -6.956 1.483 1.00 0.00 C ATOM 906 OD1 ASP A 67 -0.869 -6.576 2.468 1.00 0.00 O ATOM 907 OD2 ASP A 67 -0.717 -7.259 0.387 1.00 0.00 O ATOM 0 H ASP A 67 3.333 -6.883 3.097 1.00 0.00 H new ATOM 0 HA ASP A 67 0.824 -8.193 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.722 -6.104 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.746 -7.371 0.687 1.00 0.00 H new ATOM 912 N ARG A 68 3.042 -10.086 2.413 1.00 0.00 N ATOM 913 CA ARG A 68 3.326 -11.420 1.895 1.00 0.00 C ATOM 914 C ARG A 68 2.096 -12.305 2.098 1.00 0.00 C ATOM 915 O ARG A 68 1.865 -13.254 1.348 1.00 0.00 O ATOM 916 CB ARG A 68 4.545 -12.027 2.601 1.00 0.00 C ATOM 917 CG ARG A 68 4.263 -12.490 4.023 1.00 0.00 C ATOM 918 CD ARG A 68 5.460 -12.264 4.933 1.00 0.00 C ATOM 919 NE ARG A 68 5.584 -13.313 5.943 1.00 0.00 N ATOM 920 CZ ARG A 68 5.836 -14.589 5.661 1.00 0.00 C ATOM 921 NH1 ARG A 68 5.993 -14.980 4.402 1.00 0.00 N ATOM 922 NH2 ARG A 68 5.930 -15.478 6.641 1.00 0.00 N ATOM 0 H ARG A 68 3.762 -9.700 3.024 1.00 0.00 H new ATOM 0 HA ARG A 68 3.555 -11.352 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.907 -12.874 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.347 -11.289 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.400 -11.953 4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.005 -13.549 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.370 -12.228 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.364 -11.296 5.425 1.00 0.00 H new ATOM 0 HE ARG A 68 5.471 -13.052 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.921 -14.301 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.186 -15.959 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.809 -15.183 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.123 -16.456 6.426 1.00 0.00 H new ATOM 936 N VAL A 69 1.303 -11.949 3.120 1.00 0.00 N ATOM 937 CA VAL A 69 0.065 -12.641 3.466 1.00 0.00 C ATOM 938 C VAL A 69 -0.520 -13.404 2.286 1.00 0.00 C ATOM 939 O VAL A 69 -0.655 -14.627 2.322 1.00 0.00 O ATOM 940 CB VAL A 69 -1.011 -11.641 3.958 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.304 -11.849 5.435 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.607 -10.193 3.689 1.00 0.00 C ATOM 0 H VAL A 69 1.512 -11.161 3.734 1.00 0.00 H new ATOM 0 HA VAL A 69 0.328 -13.344 4.256 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.921 -11.838 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.062 -11.136 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.668 -12.864 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.392 -11.696 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.389 -9.524 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.326 -9.973 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.469 -10.047 2.618 1.00 0.00 H new ATOM 946 N THR A 70 -0.873 -12.661 1.248 1.00 0.00 N ATOM 947 CA THR A 70 -1.460 -13.250 0.055 1.00 0.00 C ATOM 948 C THR A 70 -0.905 -12.592 -1.199 1.00 0.00 C ATOM 949 O THR A 70 -0.092 -13.181 -1.912 1.00 0.00 O ATOM 950 CB THR A 70 -2.976 -13.120 0.094 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.497 -13.703 1.275 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.664 -13.770 -1.085 1.00 0.00 C ATOM 0 H THR A 70 -0.763 -11.648 1.208 1.00 0.00 H new ATOM 0 HA THR A 70 -1.199 -14.308 0.030 1.00 0.00 H new ATOM 0 HB THR A 70 -3.176 -12.049 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.476 -13.651 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.742 -13.640 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.319 -13.306 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.427 -14.834 -1.103 1.00 0.00 H new ATOM 957 N TRP A 71 -1.325 -11.359 -1.452 1.00 0.00 N ATOM 958 CA TRP A 71 -0.838 -10.625 -2.612 1.00 0.00 C ATOM 959 C TRP A 71 -0.831 -9.137 -2.346 1.00 0.00 C ATOM 960 O TRP A 71 -1.559 -8.641 -1.487 1.00 0.00 O ATOM 961 CB TRP A 71 -1.652 -10.940 -3.871 1.00 0.00 C ATOM 962 CG TRP A 71 -2.991 -10.270 -3.919 1.00 0.00 C ATOM 963 CD1 TRP A 71 -4.174 -10.807 -3.524 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.287 -8.946 -4.391 1.00 0.00 C ATOM 965 NE1 TRP A 71 -5.192 -9.910 -3.722 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.675 -8.759 -4.250 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.519 -7.900 -4.916 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.311 -7.575 -4.614 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.155 -6.723 -5.277 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.538 -6.571 -5.124 1.00 0.00 C ATOM 0 H TRP A 71 -1.995 -10.850 -0.876 1.00 0.00 H new ATOM 0 HA TRP A 71 0.186 -10.952 -2.791 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.076 -10.640 -4.747 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.795 -12.019 -3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.296 -11.798 -3.113 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.176 -10.075 -3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.451 -8.008 -5.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.378 -7.455 -4.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.573 -5.909 -5.683 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.003 -5.641 -5.415 1.00 0.00 H new ATOM 981 N ALA A 72 0.019 -8.442 -3.080 1.00 0.00 N ATOM 982 CA ALA A 72 0.166 -7.010 -2.926 1.00 0.00 C ATOM 983 C ALA A 72 0.584 -6.349 -4.237 1.00 0.00 C ATOM 984 O ALA A 72 1.564 -6.757 -4.862 1.00 0.00 O ATOM 985 CB ALA A 72 1.184 -6.743 -1.832 1.00 0.00 C ATOM 0 H ALA A 72 0.621 -8.852 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.795 -6.577 -2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.306 -5.668 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.837 -7.183 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.140 -7.186 -2.109 1.00 0.00 H new ATOM 991 N GLU A 73 -0.163 -5.328 -4.654 1.00 0.00 N ATOM 992 CA GLU A 73 0.141 -4.620 -5.895 1.00 0.00 C ATOM 993 C GLU A 73 -0.232 -3.143 -5.795 1.00 0.00 C ATOM 994 O GLU A 73 -1.201 -2.780 -5.127 1.00 0.00 O ATOM 995 CB GLU A 73 -0.600 -5.265 -7.068 1.00 0.00 C ATOM 996 CG GLU A 73 0.041 -4.988 -8.418 1.00 0.00 C ATOM 997 CD GLU A 73 0.732 -6.207 -8.998 1.00 0.00 C ATOM 998 OE1 GLU A 73 0.033 -7.072 -9.568 1.00 0.00 O ATOM 999 OE2 GLU A 73 1.973 -6.298 -8.882 1.00 0.00 O ATOM 0 H GLU A 73 -0.978 -4.975 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 73 1.215 -4.690 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.645 -6.343 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.628 -4.902 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.723 -4.643 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.765 -4.180 -8.313 1.00 0.00 H new ATOM 1006 N GLN A 74 0.544 -2.295 -6.468 1.00 0.00 N ATOM 1007 CA GLN A 74 0.295 -0.856 -6.459 1.00 0.00 C ATOM 1008 C GLN A 74 -0.644 -0.467 -7.595 1.00 0.00 C ATOM 1009 O GLN A 74 -0.889 -1.260 -8.503 1.00 0.00 O ATOM 1010 CB GLN A 74 1.610 -0.086 -6.580 1.00 0.00 C ATOM 1011 CG GLN A 74 2.663 -0.517 -5.573 1.00 0.00 C ATOM 1012 CD GLN A 74 3.836 0.441 -5.510 1.00 0.00 C ATOM 1013 OE1 GLN A 74 3.712 1.616 -5.853 1.00 0.00 O ATOM 1014 NE2 GLN A 74 4.985 -0.059 -5.072 1.00 0.00 N ATOM 0 H GLN A 74 1.349 -2.580 -7.026 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.178 -0.598 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.007 -0.217 -7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.411 0.978 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.207 -0.593 -4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.025 -1.512 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.043 -1.040 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.810 0.538 -5.010 1.00 0.00 H new ATOM 1021 N GLN A 75 -1.172 0.756 -7.544 1.00 0.00 N ATOM 1022 CA GLN A 75 -2.084 1.222 -8.585 1.00 0.00 C ATOM 1023 C GLN A 75 -2.018 2.736 -8.742 1.00 0.00 C ATOM 1024 O GLN A 75 -2.150 3.476 -7.769 1.00 0.00 O ATOM 1025 CB GLN A 75 -3.518 0.788 -8.274 1.00 0.00 C ATOM 1026 CG GLN A 75 -3.900 -0.542 -8.902 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.197 -1.612 -7.869 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -3.474 -1.757 -6.883 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -5.265 -2.369 -8.091 1.00 0.00 N ATOM 0 H GLN A 75 -0.987 1.433 -6.804 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.772 0.769 -9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.642 0.719 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.206 1.557 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.775 -0.402 -9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.090 -0.881 -9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.836 -2.214 -8.922 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.514 -3.106 -7.431 1.00 0.00 H new ATOM 1036 N TYR A 76 -1.816 3.191 -9.975 1.00 0.00 N ATOM 1037 CA TYR A 76 -1.737 4.614 -10.257 1.00 0.00 C ATOM 1038 C TYR A 76 -1.495 4.861 -11.743 1.00 0.00 C ATOM 1039 O TYR A 76 -2.200 5.653 -12.365 1.00 99.99 O ATOM 1040 CB TYR A 76 -0.620 5.249 -9.433 1.00 0.00 C ATOM 1041 CG TYR A 76 0.717 4.560 -9.582 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.592 4.936 -10.588 1.00 0.00 C ATOM 1043 CD2 TYR A 76 1.104 3.541 -8.718 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.818 4.319 -10.733 1.00 0.00 C ATOM 1045 CE2 TYR A 76 2.330 2.918 -8.855 1.00 0.00 C ATOM 1046 CZ TYR A 76 3.185 3.311 -9.865 1.00 0.00 C ATOM 1047 OH TYR A 76 4.406 2.695 -10.007 1.00 0.00 O ATOM 0 H TYR A 76 -1.704 2.592 -10.793 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.688 5.071 -9.984 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.514 6.294 -9.726 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.907 5.240 -8.382 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.310 5.725 -11.270 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.436 3.232 -7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.488 4.624 -11.523 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.617 2.129 -8.176 1.00 0.00 H new ATOM 0 HH TYR A 76 4.509 2.009 -9.315 1.00 0.00 H new TER 1057 TYR A 76