USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1073 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 82 HIS : no HE2:sc= -6.86! C(o=-7.4!,f=-16!) USER MOD Set 1.2: A 132 THR OG1 : rot 113:sc= -0.571 USER MOD Set 2.1: A 47 THR OG1 : rot 93:sc= 0.438 USER MOD Set 2.2: A 50 ASN :FLIP amide:sc= 0.082 F(o=-2.7,f=0.52) USER MOD Set 3.1: A 27 MET CE :methyl -127:sc= -10.8! (180deg=-1.43!) USER MOD Set 3.2: A 31 ASN : amide:sc= -14.7! C(o=-26!,f=-34!) USER MOD Set 3.3: A 98 TYR OH : rot -36:sc= -0.616 USER MOD Single : A 1 ARG N :NH3+ 138:sc= -2.51! (180deg=-5.05!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -112:sc= -0.453 USER MOD Single : A 9 GLN :FLIP amide:sc= -1.14 F(o=-4.2,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -1.12! C(o=-4.7!,f=-1.1!) USER MOD Single : A 17 SER OG : rot 12:sc= -0.618 USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -5.63! C(o=-9.8!,f=-5.6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 79:sc= -1.03 USER MOD Single : A 53 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 57 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.9) USER MOD Single : A 58 GLN : amide:sc= 0.0106 X(o=0.011,f=-0.0056) USER MOD Single : A 59 SER OG : rot -91:sc= 0.0631 USER MOD Single : A 64 HIS : no HD1:sc= -5.02! C(o=-5!,f=-4.8!) USER MOD Single : A 65 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.3) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -3.43! C(o=-3.4!,f=-11!) USER MOD Single : A 70 ASN : amide:sc= -5.62! C(o=-5.6!,f=-9.9!) USER MOD Single : A 72 HIS : no HE2:sc= -5.97! C(o=-6!,f=-6.8!) USER MOD Single : A 74 SER OG : rot 104:sc= -0.103 USER MOD Single : A 87 ASN : amide:sc= -11.6! C(o=-12!,f=-15!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.769 K(o=-0.77,f=-2.2) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.7!) USER MOD Single : A 119 SER OG : rot 157:sc= -1.15 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS :FLIP no HE2:sc= -1.04 F(o=-2.8!,f=-1) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.220 -9.953 -1.232 1.00 53.43 N ATOM 2 CA ARG A 1 7.252 -9.660 -2.219 1.00 5.23 C ATOM 3 C ARG A 1 7.813 -10.947 -2.817 1.00 10.33 C ATOM 4 O ARG A 1 8.938 -11.355 -2.529 1.00 50.10 O ATOM 5 CB ARG A 1 8.381 -8.847 -1.582 1.00 14.31 C ATOM 6 CG ARG A 1 8.817 -9.372 -0.224 1.00 12.45 C ATOM 7 CD ARG A 1 9.992 -8.578 0.329 1.00 30.55 C ATOM 8 NE ARG A 1 10.349 -9.001 1.680 1.00 13.24 N ATOM 9 CZ ARG A 1 9.580 -8.792 2.744 1.00 60.21 C ATOM 10 NH1 ARG A 1 8.415 -8.172 2.611 1.00 3.31 N ATOM 11 NH2 ARG A 1 9.974 -9.206 3.941 1.00 43.05 N ATOM 0 H1 ARG A 1 6.340 -9.329 -0.408 1.00 53.43 H new ATOM 0 H2 ARG A 1 5.282 -9.794 -1.653 1.00 53.43 H new ATOM 0 H3 ARG A 1 6.300 -10.945 -0.930 1.00 53.43 H new ATOM 0 HA ARG A 1 6.799 -9.075 -3.019 1.00 5.23 H new ATOM 0 HB2 ARG A 1 9.239 -8.844 -2.254 1.00 14.31 H new ATOM 0 HB3 ARG A 1 8.057 -7.812 -1.475 1.00 14.31 H new ATOM 0 HG2 ARG A 1 7.981 -9.320 0.473 1.00 12.45 H new ATOM 0 HG3 ARG A 1 9.095 -10.422 -0.311 1.00 12.45 H new ATOM 0 HD2 ARG A 1 10.853 -8.699 -0.328 1.00 30.55 H new ATOM 0 HD3 ARG A 1 9.742 -7.517 0.335 1.00 30.55 H new ATOM 0 HE ARG A 1 11.237 -9.484 1.815 1.00 13.24 H new ATOM 0 HH11 ARG A 1 8.108 -7.855 1.691 1.00 3.31 H new ATOM 0 HH12 ARG A 1 7.826 -8.012 3.428 1.00 3.31 H new ATOM 0 HH21 ARG A 1 10.868 -9.685 4.046 1.00 43.05 H new ATOM 0 HH22 ARG A 1 9.383 -9.045 4.756 1.00 43.05 H new ATOM 25 N PRO A 2 7.011 -11.602 -3.669 1.00 43.34 N ATOM 26 CA PRO A 2 7.406 -12.852 -4.325 1.00 5.01 C ATOM 27 C PRO A 2 8.502 -12.640 -5.364 1.00 75.14 C ATOM 28 O PRO A 2 8.837 -11.512 -5.727 1.00 25.43 O ATOM 29 CB PRO A 2 6.114 -13.323 -4.998 1.00 1.21 C ATOM 30 CG PRO A 2 5.323 -12.079 -5.211 1.00 32.31 C ATOM 31 CD PRO A 2 5.657 -11.172 -4.058 1.00 24.42 C ATOM 0 HA PRO A 2 7.820 -13.570 -3.618 1.00 5.01 H new ATOM 0 HB2 PRO A 2 6.320 -13.827 -5.942 1.00 1.21 H new ATOM 0 HB3 PRO A 2 5.575 -14.032 -4.369 1.00 1.21 H new ATOM 0 HG2 PRO A 2 5.579 -11.612 -6.162 1.00 32.31 H new ATOM 0 HG3 PRO A 2 4.255 -12.296 -5.240 1.00 32.31 H new ATOM 0 HD2 PRO A 2 5.637 -10.123 -4.353 1.00 24.42 H new ATOM 0 HD3 PRO A 2 4.948 -11.286 -3.238 1.00 24.42 H new ATOM 39 N PRO A 3 9.073 -13.749 -5.858 1.00 54.23 N ATOM 40 CA PRO A 3 10.139 -13.710 -6.864 1.00 74.14 C ATOM 41 C PRO A 3 9.633 -13.246 -8.226 1.00 23.14 C ATOM 42 O PRO A 3 10.419 -12.862 -9.091 1.00 14.42 O ATOM 43 CB PRO A 3 10.612 -15.164 -6.936 1.00 60.20 C ATOM 44 CG PRO A 3 9.438 -15.967 -6.493 1.00 70.40 C ATOM 45 CD PRO A 3 8.722 -15.126 -5.472 1.00 31.04 C ATOM 0 HA PRO A 3 10.926 -13.004 -6.598 1.00 74.14 H new ATOM 0 HB2 PRO A 3 10.916 -15.432 -7.948 1.00 60.20 H new ATOM 0 HB3 PRO A 3 11.473 -15.332 -6.290 1.00 60.20 H new ATOM 0 HG2 PRO A 3 8.785 -16.200 -7.334 1.00 70.40 H new ATOM 0 HG3 PRO A 3 9.755 -16.917 -6.063 1.00 70.40 H new ATOM 0 HD2 PRO A 3 7.645 -15.289 -5.501 1.00 31.04 H new ATOM 0 HD3 PRO A 3 9.052 -15.356 -4.459 1.00 31.04 H new ATOM 53 N GLN A 4 8.317 -13.287 -8.409 1.00 10.42 N ATOM 54 CA GLN A 4 7.708 -12.871 -9.667 1.00 1.50 C ATOM 55 C GLN A 4 7.355 -11.387 -9.636 1.00 43.15 C ATOM 56 O GLN A 4 7.099 -10.778 -10.675 1.00 70.44 O ATOM 57 CB GLN A 4 6.454 -13.700 -9.949 1.00 74.22 C ATOM 58 CG GLN A 4 6.751 -15.142 -10.325 1.00 35.11 C ATOM 59 CD GLN A 4 5.508 -16.011 -10.327 1.00 24.44 C ATOM 60 OE1 GLN A 4 4.893 -16.234 -11.369 1.00 74.01 O ATOM 61 NE2 GLN A 4 5.134 -16.511 -9.154 1.00 54.03 N ATOM 0 H GLN A 4 7.653 -13.604 -7.703 1.00 10.42 H new ATOM 0 HA GLN A 4 8.432 -13.037 -10.465 1.00 1.50 H new ATOM 0 HB2 GLN A 4 5.814 -13.688 -9.067 1.00 74.22 H new ATOM 0 HB3 GLN A 4 5.892 -13.231 -10.757 1.00 74.22 H new ATOM 0 HG2 GLN A 4 7.210 -15.169 -11.313 1.00 35.11 H new ATOM 0 HG3 GLN A 4 7.477 -15.554 -9.624 1.00 35.11 H new ATOM 0 HE21 GLN A 4 5.674 -16.300 -8.314 1.00 54.03 H new ATOM 0 HE22 GLN A 4 4.307 -17.105 -9.093 1.00 54.03 H new ATOM 70 N PHE A 5 7.344 -10.811 -8.439 1.00 13.04 N ATOM 71 CA PHE A 5 7.020 -9.398 -8.272 1.00 64.33 C ATOM 72 C PHE A 5 8.095 -8.688 -7.455 1.00 14.12 C ATOM 73 O PHE A 5 8.535 -9.187 -6.419 1.00 3.11 O ATOM 74 CB PHE A 5 5.659 -9.241 -7.593 1.00 71.35 C ATOM 75 CG PHE A 5 4.537 -9.909 -8.338 1.00 4.23 C ATOM 76 CD1 PHE A 5 4.536 -9.950 -9.723 1.00 21.43 C ATOM 77 CD2 PHE A 5 3.485 -10.495 -7.652 1.00 5.00 C ATOM 78 CE1 PHE A 5 3.505 -10.564 -10.410 1.00 14.34 C ATOM 79 CE2 PHE A 5 2.452 -11.110 -8.334 1.00 3.11 C ATOM 80 CZ PHE A 5 2.463 -11.145 -9.714 1.00 12.12 C ATOM 0 H PHE A 5 7.556 -11.300 -7.569 1.00 13.04 H new ATOM 0 HA PHE A 5 6.978 -8.941 -9.261 1.00 64.33 H new ATOM 0 HB2 PHE A 5 5.714 -9.656 -6.586 1.00 71.35 H new ATOM 0 HB3 PHE A 5 5.434 -8.180 -7.489 1.00 71.35 H new ATOM 0 HD1 PHE A 5 5.349 -9.498 -10.272 1.00 21.43 H new ATOM 0 HD2 PHE A 5 3.472 -10.471 -6.572 1.00 5.00 H new ATOM 0 HE1 PHE A 5 3.514 -10.589 -11.490 1.00 14.34 H new ATOM 0 HE2 PHE A 5 1.637 -11.563 -7.788 1.00 3.11 H new ATOM 0 HZ PHE A 5 1.658 -11.626 -10.249 1.00 12.12 H new ATOM 90 N THR A 6 8.513 -7.517 -7.927 1.00 61.32 N ATOM 91 CA THR A 6 9.536 -6.738 -7.242 1.00 61.13 C ATOM 92 C THR A 6 9.006 -6.167 -5.931 1.00 75.30 C ATOM 93 O THR A 6 7.884 -6.466 -5.522 1.00 41.43 O ATOM 94 CB THR A 6 10.045 -5.582 -8.123 1.00 0.32 C ATOM 95 OG1 THR A 6 9.013 -5.157 -9.019 1.00 70.25 O ATOM 96 CG2 THR A 6 11.271 -6.007 -8.918 1.00 60.01 C ATOM 0 H THR A 6 8.158 -7.088 -8.782 1.00 61.32 H new ATOM 0 HA THR A 6 10.363 -7.417 -7.032 1.00 61.13 H new ATOM 0 HB THR A 6 10.323 -4.753 -7.472 1.00 0.32 H new ATOM 0 HG1 THR A 6 9.260 -5.392 -9.938 1.00 70.25 H new ATOM 0 HG21 THR A 6 11.613 -5.174 -9.533 1.00 60.01 H new ATOM 0 HG22 THR A 6 12.065 -6.301 -8.232 1.00 60.01 H new ATOM 0 HG23 THR A 6 11.014 -6.850 -9.559 1.00 60.01 H new ATOM 104 N ARG A 7 9.820 -5.344 -5.278 1.00 30.31 N ATOM 105 CA ARG A 7 9.433 -4.732 -4.013 1.00 12.34 C ATOM 106 C ARG A 7 8.496 -3.550 -4.245 1.00 51.23 C ATOM 107 O ARG A 7 7.615 -3.275 -3.432 1.00 52.22 O ATOM 108 CB ARG A 7 10.673 -4.272 -3.244 1.00 74.00 C ATOM 109 CG ARG A 7 11.321 -5.372 -2.420 1.00 44.13 C ATOM 110 CD ARG A 7 12.305 -4.803 -1.409 1.00 25.43 C ATOM 111 NE ARG A 7 12.530 -5.718 -0.292 1.00 13.41 N ATOM 112 CZ ARG A 7 13.336 -5.446 0.728 1.00 44.25 C ATOM 113 NH1 ARG A 7 13.991 -4.294 0.771 1.00 13.55 N ATOM 114 NH2 ARG A 7 13.490 -6.329 1.707 1.00 13.22 N ATOM 0 H ARG A 7 10.751 -5.086 -5.604 1.00 30.31 H new ATOM 0 HA ARG A 7 8.905 -5.481 -3.422 1.00 12.34 H new ATOM 0 HB2 ARG A 7 11.404 -3.881 -3.951 1.00 74.00 H new ATOM 0 HB3 ARG A 7 10.397 -3.450 -2.584 1.00 74.00 H new ATOM 0 HG2 ARG A 7 10.550 -5.940 -1.899 1.00 44.13 H new ATOM 0 HG3 ARG A 7 11.838 -6.067 -3.081 1.00 44.13 H new ATOM 0 HD2 ARG A 7 13.254 -4.594 -1.904 1.00 25.43 H new ATOM 0 HD3 ARG A 7 11.927 -3.853 -1.030 1.00 25.43 H new ATOM 0 HE ARG A 7 12.042 -6.614 -0.296 1.00 13.41 H new ATOM 0 HH11 ARG A 7 13.877 -3.614 0.019 1.00 13.55 H new ATOM 0 HH12 ARG A 7 14.609 -4.088 1.556 1.00 13.55 H new ATOM 0 HH21 ARG A 7 12.989 -7.217 1.676 1.00 13.22 H new ATOM 0 HH22 ARG A 7 14.109 -6.119 2.490 1.00 13.22 H new ATOM 128 N ALA A 8 8.696 -2.854 -5.360 1.00 15.34 N ATOM 129 CA ALA A 8 7.869 -1.703 -5.700 1.00 12.13 C ATOM 130 C ALA A 8 6.611 -2.132 -6.448 1.00 41.32 C ATOM 131 O ALA A 8 5.497 -1.967 -5.953 1.00 44.30 O ATOM 132 CB ALA A 8 8.666 -0.707 -6.528 1.00 72.45 C ATOM 0 H ALA A 8 9.423 -3.067 -6.043 1.00 15.34 H new ATOM 0 HA ALA A 8 7.560 -1.221 -4.772 1.00 12.13 H new ATOM 0 HB1 ALA A 8 8.036 0.148 -6.775 1.00 72.45 H new ATOM 0 HB2 ALA A 8 9.530 -0.368 -5.957 1.00 72.45 H new ATOM 0 HB3 ALA A 8 9.004 -1.186 -7.447 1.00 72.45 H new ATOM 138 N GLN A 9 6.799 -2.680 -7.645 1.00 31.24 N ATOM 139 CA GLN A 9 5.679 -3.130 -8.461 1.00 33.31 C ATOM 140 C GLN A 9 4.716 -3.984 -7.642 1.00 71.22 C ATOM 141 O GLN A 9 3.522 -4.041 -7.933 1.00 35.43 O ATOM 142 CB GLN A 9 6.185 -3.927 -9.665 1.00 51.34 C ATOM 143 CG GLN A 9 6.264 -5.424 -9.416 1.00 52.32 C ATOM 144 CD GLN A 9 4.999 -6.151 -9.828 1.00 22.02 C ATOM 145 OE1 GLN A 9 4.267 -6.667 -8.848 1.00 4.43 O flip ATOM 146 NE2 GLN A 9 4.682 -6.247 -11.015 1.00 24.13 N flip ATOM 0 H GLN A 9 7.715 -2.822 -8.070 1.00 31.24 H new ATOM 0 HA GLN A 9 5.144 -2.249 -8.815 1.00 33.31 H new ATOM 0 HB2 GLN A 9 5.527 -3.743 -10.514 1.00 51.34 H new ATOM 0 HB3 GLN A 9 7.173 -3.561 -9.943 1.00 51.34 H new ATOM 0 HG2 GLN A 9 7.111 -5.836 -9.965 1.00 52.32 H new ATOM 0 HG3 GLN A 9 6.453 -5.603 -8.358 1.00 52.32 H new ATOM 0 HE21 GLN A 9 5.274 -5.835 -11.736 1.00 24.13 H new ATOM 0 HE22 GLN A 9 3.827 -6.738 -11.276 1.00 24.13 H new ATOM 155 N TRP A 10 5.243 -4.644 -6.618 1.00 62.21 N ATOM 156 CA TRP A 10 4.430 -5.495 -5.757 1.00 34.52 C ATOM 157 C TRP A 10 3.732 -4.672 -4.680 1.00 74.44 C ATOM 158 O TRP A 10 2.680 -5.060 -4.173 1.00 2.20 O ATOM 159 CB TRP A 10 5.296 -6.576 -5.108 1.00 72.25 C ATOM 160 CG TRP A 10 4.506 -7.573 -4.315 1.00 44.41 C ATOM 161 CD1 TRP A 10 4.735 -7.959 -3.025 1.00 33.44 C ATOM 162 CD2 TRP A 10 3.364 -8.312 -4.761 1.00 44.34 C ATOM 163 NE1 TRP A 10 3.803 -8.893 -2.642 1.00 75.51 N ATOM 164 CE2 TRP A 10 2.950 -9.126 -3.689 1.00 1.22 C ATOM 165 CE3 TRP A 10 2.650 -8.363 -5.961 1.00 52.31 C ATOM 166 CZ2 TRP A 10 1.855 -9.981 -3.784 1.00 5.40 C ATOM 167 CZ3 TRP A 10 1.563 -9.212 -6.053 1.00 41.14 C ATOM 168 CH2 TRP A 10 1.174 -10.011 -4.970 1.00 60.04 C ATOM 0 H TRP A 10 6.230 -4.607 -6.363 1.00 62.21 H new ATOM 0 HA TRP A 10 3.669 -5.971 -6.375 1.00 34.52 H new ATOM 0 HB2 TRP A 10 5.853 -7.100 -5.885 1.00 72.25 H new ATOM 0 HB3 TRP A 10 6.028 -6.101 -4.455 1.00 72.25 H new ATOM 0 HD1 TRP A 10 5.531 -7.585 -2.398 1.00 33.44 H new ATOM 0 HE1 TRP A 10 3.754 -9.340 -1.727 1.00 75.51 H new ATOM 0 HE3 TRP A 10 2.942 -7.750 -6.801 1.00 52.31 H new ATOM 0 HZ2 TRP A 10 1.554 -10.599 -2.951 1.00 5.40 H new ATOM 0 HZ3 TRP A 10 1.004 -9.260 -6.976 1.00 41.14 H new ATOM 0 HH2 TRP A 10 0.320 -10.663 -5.073 1.00 60.04 H new ATOM 179 N PHE A 11 4.323 -3.532 -4.337 1.00 44.21 N ATOM 180 CA PHE A 11 3.758 -2.654 -3.320 1.00 24.14 C ATOM 181 C PHE A 11 2.426 -2.071 -3.783 1.00 43.42 C ATOM 182 O PHE A 11 1.420 -2.158 -3.081 1.00 71.53 O ATOM 183 CB PHE A 11 4.736 -1.524 -2.990 1.00 0.21 C ATOM 184 CG PHE A 11 4.062 -0.262 -2.533 1.00 23.41 C ATOM 185 CD1 PHE A 11 3.512 0.617 -3.453 1.00 31.24 C ATOM 186 CD2 PHE A 11 3.978 0.046 -1.185 1.00 31.41 C ATOM 187 CE1 PHE A 11 2.891 1.779 -3.035 1.00 10.12 C ATOM 188 CE2 PHE A 11 3.358 1.206 -0.761 1.00 43.01 C ATOM 189 CZ PHE A 11 2.813 2.074 -1.687 1.00 61.33 C ATOM 0 H PHE A 11 5.193 -3.195 -4.749 1.00 44.21 H new ATOM 0 HA PHE A 11 3.582 -3.246 -2.422 1.00 24.14 H new ATOM 0 HB2 PHE A 11 5.421 -1.863 -2.213 1.00 0.21 H new ATOM 0 HB3 PHE A 11 5.338 -1.306 -3.872 1.00 0.21 H new ATOM 0 HD1 PHE A 11 3.569 0.392 -4.508 1.00 31.24 H new ATOM 0 HD2 PHE A 11 4.402 -0.629 -0.456 1.00 31.41 H new ATOM 0 HE1 PHE A 11 2.467 2.456 -3.762 1.00 10.12 H new ATOM 0 HE2 PHE A 11 3.300 1.434 0.293 1.00 43.01 H new ATOM 0 HZ PHE A 11 2.327 2.981 -1.359 1.00 61.33 H new ATOM 199 N ALA A 12 2.430 -1.475 -4.971 1.00 43.52 N ATOM 200 CA ALA A 12 1.224 -0.878 -5.531 1.00 22.10 C ATOM 201 C ALA A 12 0.158 -1.936 -5.790 1.00 23.30 C ATOM 202 O ALA A 12 -1.038 -1.645 -5.764 1.00 71.43 O ATOM 203 CB ALA A 12 1.552 -0.130 -6.815 1.00 0.30 C ATOM 0 H ALA A 12 3.256 -1.393 -5.564 1.00 43.52 H new ATOM 0 HA ALA A 12 0.827 -0.170 -4.803 1.00 22.10 H new ATOM 0 HB1 ALA A 12 0.642 0.311 -7.222 1.00 0.30 H new ATOM 0 HB2 ALA A 12 2.273 0.659 -6.602 1.00 0.30 H new ATOM 0 HB3 ALA A 12 1.976 -0.823 -7.542 1.00 0.30 H new ATOM 209 N ILE A 13 0.598 -3.165 -6.040 1.00 52.21 N ATOM 210 CA ILE A 13 -0.319 -4.267 -6.304 1.00 50.42 C ATOM 211 C ILE A 13 -1.403 -4.347 -5.234 1.00 54.14 C ATOM 212 O ILE A 13 -2.589 -4.453 -5.546 1.00 32.32 O ATOM 213 CB ILE A 13 0.423 -5.614 -6.369 1.00 15.33 C ATOM 214 CG1 ILE A 13 0.858 -5.913 -7.804 1.00 50.34 C ATOM 215 CG2 ILE A 13 -0.461 -6.731 -5.834 1.00 1.34 C ATOM 216 CD1 ILE A 13 -0.124 -6.775 -8.566 1.00 60.52 C ATOM 0 H ILE A 13 1.585 -3.423 -6.065 1.00 52.21 H new ATOM 0 HA ILE A 13 -0.780 -4.069 -7.272 1.00 50.42 H new ATOM 0 HB ILE A 13 1.315 -5.552 -5.745 1.00 15.33 H new ATOM 0 HG12 ILE A 13 0.993 -4.972 -8.338 1.00 50.34 H new ATOM 0 HG13 ILE A 13 1.827 -6.411 -7.785 1.00 50.34 H new ATOM 0 HG21 ILE A 13 0.077 -7.677 -5.886 1.00 1.34 H new ATOM 0 HG22 ILE A 13 -0.726 -6.521 -4.798 1.00 1.34 H new ATOM 0 HG23 ILE A 13 -1.368 -6.796 -6.434 1.00 1.34 H new ATOM 0 HD11 ILE A 13 0.249 -6.946 -9.576 1.00 60.52 H new ATOM 0 HD12 ILE A 13 -0.242 -7.731 -8.056 1.00 60.52 H new ATOM 0 HD13 ILE A 13 -1.089 -6.270 -8.617 1.00 60.52 H new ATOM 228 N GLN A 14 -0.988 -4.292 -3.973 1.00 23.03 N ATOM 229 CA GLN A 14 -1.924 -4.358 -2.857 1.00 51.15 C ATOM 230 C GLN A 14 -2.133 -2.979 -2.241 1.00 34.33 C ATOM 231 O GLN A 14 -3.167 -2.712 -1.626 1.00 72.53 O ATOM 232 CB GLN A 14 -1.416 -5.333 -1.794 1.00 4.41 C ATOM 233 CG GLN A 14 -0.328 -4.752 -0.905 1.00 30.22 C ATOM 234 CD GLN A 14 0.334 -5.800 -0.032 1.00 13.00 C ATOM 235 OE1 GLN A 14 0.259 -5.739 1.196 1.00 72.42 O ATOM 236 NE2 GLN A 14 0.988 -6.768 -0.662 1.00 42.21 N ATOM 0 H GLN A 14 -0.010 -4.202 -3.698 1.00 23.03 H new ATOM 0 HA GLN A 14 -2.881 -4.715 -3.238 1.00 51.15 H new ATOM 0 HB2 GLN A 14 -2.254 -5.647 -1.171 1.00 4.41 H new ATOM 0 HB3 GLN A 14 -1.033 -6.227 -2.286 1.00 4.41 H new ATOM 0 HG2 GLN A 14 0.428 -4.273 -1.528 1.00 30.22 H new ATOM 0 HG3 GLN A 14 -0.758 -3.976 -0.272 1.00 30.22 H new ATOM 0 HE21 GLN A 14 1.024 -6.779 -1.681 1.00 42.21 H new ATOM 0 HE22 GLN A 14 1.454 -7.501 -0.127 1.00 42.21 H new ATOM 245 N HIS A 15 -1.146 -2.106 -2.407 1.00 50.44 N ATOM 246 CA HIS A 15 -1.222 -0.752 -1.867 1.00 22.40 C ATOM 247 C HIS A 15 -1.825 0.208 -2.889 1.00 3.03 C ATOM 248 O HIS A 15 -2.078 1.373 -2.584 1.00 65.04 O ATOM 249 CB HIS A 15 0.167 -0.267 -1.452 1.00 23.31 C ATOM 250 CG HIS A 15 0.760 -1.047 -0.318 1.00 60.33 C ATOM 251 ND1 HIS A 15 1.921 -1.737 -0.231 1.00 50.42 N flip ATOM 252 CD2 HIS A 15 0.142 -1.182 0.906 1.00 23.21 C flip ATOM 253 CE1 HIS A 15 1.983 -2.270 1.034 1.00 74.24 C flip ATOM 254 NE2 HIS A 15 0.898 -1.920 1.700 1.00 41.24 N flip ATOM 0 H HIS A 15 -0.283 -2.311 -2.911 1.00 50.44 H new ATOM 0 HA HIS A 15 -1.868 -0.773 -0.990 1.00 22.40 H new ATOM 0 HB2 HIS A 15 0.835 -0.326 -2.311 1.00 23.31 H new ATOM 0 HB3 HIS A 15 0.106 0.783 -1.167 1.00 23.31 H new ATOM 0 HD1 HIS A 15 2.619 -1.842 -0.967 1.00 50.42 H new ATOM 0 HD2 HIS A 15 -0.811 -0.752 1.175 1.00 23.21 H new ATOM 0 HE1 HIS A 15 2.788 -2.877 1.421 1.00 74.24 H new ATOM 263 N ILE A 16 -2.051 -0.291 -4.100 1.00 42.31 N ATOM 264 CA ILE A 16 -2.624 0.523 -5.165 1.00 11.50 C ATOM 265 C ILE A 16 -3.603 -0.286 -6.009 1.00 4.13 C ATOM 266 O ILE A 16 -3.232 -1.293 -6.614 1.00 34.03 O ATOM 267 CB ILE A 16 -1.529 1.101 -6.082 1.00 15.41 C ATOM 268 CG1 ILE A 16 -1.004 2.421 -5.513 1.00 44.54 C ATOM 269 CG2 ILE A 16 -2.070 1.303 -7.489 1.00 60.24 C ATOM 270 CD1 ILE A 16 0.168 2.250 -4.572 1.00 73.35 C ATOM 0 H ILE A 16 -1.846 -1.254 -4.368 1.00 42.31 H new ATOM 0 HA ILE A 16 -3.155 1.344 -4.684 1.00 11.50 H new ATOM 0 HB ILE A 16 -0.702 0.392 -6.130 1.00 15.41 H new ATOM 0 HG12 ILE A 16 -0.706 3.070 -6.337 1.00 44.54 H new ATOM 0 HG13 ILE A 16 -1.812 2.927 -4.985 1.00 44.54 H new ATOM 0 HG21 ILE A 16 -1.285 1.712 -8.125 1.00 60.24 H new ATOM 0 HG22 ILE A 16 -2.402 0.346 -7.892 1.00 60.24 H new ATOM 0 HG23 ILE A 16 -2.911 1.996 -7.459 1.00 60.24 H new ATOM 0 HD11 ILE A 16 0.487 3.226 -4.208 1.00 73.35 H new ATOM 0 HD12 ILE A 16 -0.131 1.628 -3.728 1.00 73.35 H new ATOM 0 HD13 ILE A 16 0.993 1.773 -5.101 1.00 73.35 H new ATOM 282 N SER A 17 -4.853 0.162 -6.047 1.00 24.54 N ATOM 283 CA SER A 17 -5.887 -0.522 -6.815 1.00 71.12 C ATOM 284 C SER A 17 -7.031 0.429 -7.152 1.00 33.51 C ATOM 285 O SER A 17 -7.817 0.807 -6.282 1.00 4.12 O ATOM 286 CB SER A 17 -6.421 -1.726 -6.035 1.00 40.22 C ATOM 287 OG SER A 17 -7.227 -1.310 -4.947 1.00 13.35 O ATOM 0 H SER A 17 -5.175 0.996 -5.555 1.00 24.54 H new ATOM 0 HA SER A 17 -5.442 -0.872 -7.746 1.00 71.12 H new ATOM 0 HB2 SER A 17 -7.003 -2.365 -6.699 1.00 40.22 H new ATOM 0 HB3 SER A 17 -5.587 -2.324 -5.667 1.00 40.22 H new ATOM 0 HG SER A 17 -7.429 -0.355 -5.036 1.00 13.35 H new ATOM 293 N LEU A 18 -7.120 0.811 -8.421 1.00 61.50 N ATOM 294 CA LEU A 18 -8.169 1.718 -8.876 1.00 24.31 C ATOM 295 C LEU A 18 -9.545 1.216 -8.450 1.00 73.22 C ATOM 296 O LEU A 18 -10.317 1.944 -7.827 1.00 65.11 O ATOM 297 CB LEU A 18 -8.116 1.869 -10.397 1.00 71.30 C ATOM 298 CG LEU A 18 -6.736 1.722 -11.038 1.00 44.25 C ATOM 299 CD1 LEU A 18 -6.782 2.130 -12.503 1.00 22.13 C ATOM 300 CD2 LEU A 18 -5.707 2.552 -10.285 1.00 23.03 C ATOM 0 H LEU A 18 -6.479 0.507 -9.154 1.00 61.50 H new ATOM 0 HA LEU A 18 -7.999 2.691 -8.415 1.00 24.31 H new ATOM 0 HB2 LEU A 18 -8.781 1.127 -10.839 1.00 71.30 H new ATOM 0 HB3 LEU A 18 -8.514 2.850 -10.659 1.00 71.30 H new ATOM 0 HG LEU A 18 -6.440 0.674 -10.982 1.00 44.25 H new ATOM 0 HD11 LEU A 18 -5.791 2.019 -12.943 1.00 22.13 H new ATOM 0 HD12 LEU A 18 -7.489 1.494 -13.036 1.00 22.13 H new ATOM 0 HD13 LEU A 18 -7.099 3.170 -12.581 1.00 22.13 H new ATOM 0 HD21 LEU A 18 -4.731 2.435 -10.755 1.00 23.03 H new ATOM 0 HD22 LEU A 18 -5.998 3.602 -10.309 1.00 23.03 H new ATOM 0 HD23 LEU A 18 -5.654 2.214 -9.250 1.00 23.03 H new ATOM 312 N ASN A 19 -9.845 -0.034 -8.790 1.00 45.52 N ATOM 313 CA ASN A 19 -11.127 -0.634 -8.441 1.00 43.14 C ATOM 314 C ASN A 19 -10.934 -1.828 -7.511 1.00 33.14 C ATOM 315 O ASN A 19 -10.905 -2.982 -7.938 1.00 61.14 O ATOM 316 CB ASN A 19 -11.868 -1.074 -9.706 1.00 71.12 C ATOM 317 CG ASN A 19 -12.380 0.102 -10.514 1.00 52.52 C ATOM 318 OD1 ASN A 19 -11.479 0.761 -11.235 1.00 13.54 O flip ATOM 319 ND2 ASN A 19 -13.570 0.415 -10.492 1.00 53.51 N flip ATOM 0 H ASN A 19 -9.218 -0.650 -9.307 1.00 45.52 H new ATOM 0 HA ASN A 19 -11.722 0.117 -7.921 1.00 43.14 H new ATOM 0 HB2 ASN A 19 -11.200 -1.674 -10.325 1.00 71.12 H new ATOM 0 HB3 ASN A 19 -12.706 -1.714 -9.429 1.00 71.12 H new ATOM 0 HD21 ASN A 19 -14.227 -0.119 -9.924 1.00 53.51 H new ATOM 0 HD22 ASN A 19 -13.899 1.209 -11.042 1.00 53.51 H new ATOM 326 N PRO A 20 -10.800 -1.545 -6.206 1.00 23.43 N ATOM 327 CA PRO A 20 -10.609 -2.582 -5.187 1.00 74.13 C ATOM 328 C PRO A 20 -11.862 -3.425 -4.977 1.00 2.04 C ATOM 329 O PRO A 20 -12.865 -2.965 -4.429 1.00 42.11 O ATOM 330 CB PRO A 20 -10.285 -1.782 -3.924 1.00 44.22 C ATOM 331 CG PRO A 20 -10.914 -0.449 -4.146 1.00 61.50 C ATOM 332 CD PRO A 20 -10.826 -0.193 -5.626 1.00 43.42 C ATOM 0 HA PRO A 20 -9.832 -3.293 -5.469 1.00 74.13 H new ATOM 0 HB2 PRO A 20 -10.688 -2.266 -3.035 1.00 44.22 H new ATOM 0 HB3 PRO A 20 -9.209 -1.692 -3.778 1.00 44.22 H new ATOM 0 HG2 PRO A 20 -11.951 -0.446 -3.810 1.00 61.50 H new ATOM 0 HG3 PRO A 20 -10.394 0.327 -3.584 1.00 61.50 H new ATOM 0 HD2 PRO A 20 -11.679 0.382 -5.986 1.00 43.42 H new ATOM 0 HD3 PRO A 20 -9.930 0.372 -5.883 1.00 43.42 H new ATOM 340 N PRO A 21 -11.807 -4.689 -5.420 1.00 65.55 N ATOM 341 CA PRO A 21 -12.929 -5.624 -5.291 1.00 34.22 C ATOM 342 C PRO A 21 -13.173 -6.039 -3.843 1.00 22.30 C ATOM 343 O PRO A 21 -12.739 -5.362 -2.912 1.00 2.43 O ATOM 344 CB PRO A 21 -12.486 -6.829 -6.125 1.00 53.24 C ATOM 345 CG PRO A 21 -10.998 -6.766 -6.120 1.00 41.32 C ATOM 346 CD PRO A 21 -10.644 -5.305 -6.083 1.00 72.40 C ATOM 0 HA PRO A 21 -13.868 -5.182 -5.623 1.00 34.22 H new ATOM 0 HB2 PRO A 21 -12.844 -7.763 -5.692 1.00 53.24 H new ATOM 0 HB3 PRO A 21 -12.881 -6.775 -7.139 1.00 53.24 H new ATOM 0 HG2 PRO A 21 -10.588 -7.288 -5.255 1.00 41.32 H new ATOM 0 HG3 PRO A 21 -10.584 -7.245 -7.007 1.00 41.32 H new ATOM 0 HD2 PRO A 21 -9.724 -5.128 -5.526 1.00 72.40 H new ATOM 0 HD3 PRO A 21 -10.493 -4.903 -7.085 1.00 72.40 H new ATOM 354 N ARG A 22 -13.869 -7.157 -3.663 1.00 55.40 N ATOM 355 CA ARG A 22 -14.172 -7.661 -2.329 1.00 44.30 C ATOM 356 C ARG A 22 -12.892 -8.028 -1.584 1.00 1.24 C ATOM 357 O ARG A 22 -12.267 -9.051 -1.867 1.00 35.21 O ATOM 358 CB ARG A 22 -15.091 -8.881 -2.417 1.00 43.52 C ATOM 359 CG ARG A 22 -16.500 -8.549 -2.880 1.00 44.21 C ATOM 360 CD ARG A 22 -17.279 -7.809 -1.805 1.00 13.32 C ATOM 361 NE ARG A 22 -17.775 -8.710 -0.768 1.00 22.42 N ATOM 362 CZ ARG A 22 -18.287 -8.295 0.384 1.00 15.21 C ATOM 363 NH1 ARG A 22 -18.372 -6.998 0.646 1.00 10.22 N ATOM 364 NH2 ARG A 22 -18.717 -9.177 1.278 1.00 42.02 N ATOM 0 H ARG A 22 -14.233 -7.731 -4.424 1.00 55.40 H new ATOM 0 HA ARG A 22 -14.681 -6.871 -1.776 1.00 44.30 H new ATOM 0 HB2 ARG A 22 -14.654 -9.606 -3.103 1.00 43.52 H new ATOM 0 HB3 ARG A 22 -15.142 -9.358 -1.438 1.00 43.52 H new ATOM 0 HG2 ARG A 22 -16.454 -7.939 -3.782 1.00 44.21 H new ATOM 0 HG3 ARG A 22 -17.024 -9.468 -3.143 1.00 44.21 H new ATOM 0 HD2 ARG A 22 -16.640 -7.052 -1.351 1.00 13.32 H new ATOM 0 HD3 ARG A 22 -18.119 -7.285 -2.262 1.00 13.32 H new ATOM 0 HE ARG A 22 -17.725 -9.714 -0.939 1.00 22.42 H new ATOM 0 HH11 ARG A 22 -18.044 -6.317 -0.038 1.00 10.22 H new ATOM 0 HH12 ARG A 22 -18.766 -6.681 1.532 1.00 10.22 H new ATOM 0 HH21 ARG A 22 -18.654 -10.176 1.080 1.00 42.02 H new ATOM 0 HH22 ARG A 22 -19.110 -8.856 2.163 1.00 42.02 H new ATOM 378 N CYS A 23 -12.506 -7.186 -0.630 1.00 30.35 N ATOM 379 CA CYS A 23 -11.301 -7.420 0.156 1.00 25.11 C ATOM 380 C CYS A 23 -11.053 -8.915 0.340 1.00 52.22 C ATOM 381 O CYS A 23 -9.918 -9.385 0.248 1.00 50.41 O ATOM 382 CB CYS A 23 -11.416 -6.740 1.521 1.00 30.02 C ATOM 383 SG CYS A 23 -9.833 -6.132 2.185 1.00 22.21 S ATOM 0 H CYS A 23 -13.011 -6.335 -0.383 1.00 30.35 H new ATOM 0 HA CYS A 23 -10.457 -6.993 -0.385 1.00 25.11 H new ATOM 0 HB2 CYS A 23 -12.109 -5.903 1.441 1.00 30.02 H new ATOM 0 HB3 CYS A 23 -11.849 -7.445 2.231 1.00 30.02 H new ATOM 388 N THR A 24 -12.124 -9.659 0.600 1.00 62.40 N ATOM 389 CA THR A 24 -12.023 -11.100 0.798 1.00 55.24 C ATOM 390 C THR A 24 -11.171 -11.746 -0.288 1.00 71.45 C ATOM 391 O THR A 24 -10.210 -12.457 0.005 1.00 15.23 O ATOM 392 CB THR A 24 -13.414 -11.764 0.806 1.00 2.53 C ATOM 393 OG1 THR A 24 -14.056 -11.540 2.067 1.00 44.53 O ATOM 394 CG2 THR A 24 -13.301 -13.258 0.547 1.00 70.05 C ATOM 0 H THR A 24 -13.071 -9.288 0.678 1.00 62.40 H new ATOM 0 HA THR A 24 -11.549 -11.254 1.767 1.00 55.24 H new ATOM 0 HB THR A 24 -14.011 -11.318 0.011 1.00 2.53 H new ATOM 0 HG1 THR A 24 -14.940 -11.963 2.064 1.00 44.53 H new ATOM 0 HG21 THR A 24 -14.295 -13.705 0.557 1.00 70.05 H new ATOM 0 HG22 THR A 24 -12.838 -13.425 -0.426 1.00 70.05 H new ATOM 0 HG23 THR A 24 -12.689 -13.717 1.323 1.00 70.05 H new ATOM 402 N ILE A 25 -11.529 -11.494 -1.543 1.00 43.35 N ATOM 403 CA ILE A 25 -10.795 -12.050 -2.672 1.00 61.13 C ATOM 404 C ILE A 25 -9.593 -11.182 -3.029 1.00 43.41 C ATOM 405 O ILE A 25 -8.514 -11.691 -3.331 1.00 60.11 O ATOM 406 CB ILE A 25 -11.695 -12.194 -3.914 1.00 30.34 C ATOM 407 CG1 ILE A 25 -13.095 -12.656 -3.504 1.00 32.14 C ATOM 408 CG2 ILE A 25 -11.079 -13.170 -4.905 1.00 35.31 C ATOM 409 CD1 ILE A 25 -14.089 -12.654 -4.643 1.00 34.53 C ATOM 0 H ILE A 25 -12.323 -10.908 -1.803 1.00 43.35 H new ATOM 0 HA ILE A 25 -10.450 -13.038 -2.366 1.00 61.13 H new ATOM 0 HB ILE A 25 -11.780 -11.221 -4.398 1.00 30.34 H new ATOM 0 HG12 ILE A 25 -13.030 -13.663 -3.091 1.00 32.14 H new ATOM 0 HG13 ILE A 25 -13.464 -12.008 -2.709 1.00 32.14 H new ATOM 0 HG21 ILE A 25 -11.727 -13.261 -5.777 1.00 35.31 H new ATOM 0 HG22 ILE A 25 -10.101 -12.804 -5.216 1.00 35.31 H new ATOM 0 HG23 ILE A 25 -10.967 -14.146 -4.433 1.00 35.31 H new ATOM 0 HD11 ILE A 25 -15.059 -12.992 -4.280 1.00 34.53 H new ATOM 0 HD12 ILE A 25 -14.183 -11.644 -5.042 1.00 34.53 H new ATOM 0 HD13 ILE A 25 -13.742 -13.324 -5.430 1.00 34.53 H new ATOM 421 N ALA A 26 -9.787 -9.867 -2.988 1.00 32.30 N ATOM 422 CA ALA A 26 -8.719 -8.927 -3.303 1.00 23.30 C ATOM 423 C ALA A 26 -7.419 -9.321 -2.608 1.00 13.44 C ATOM 424 O ALA A 26 -6.332 -8.944 -3.044 1.00 71.51 O ATOM 425 CB ALA A 26 -9.125 -7.516 -2.908 1.00 10.51 C ATOM 0 H ALA A 26 -10.674 -9.429 -2.740 1.00 32.30 H new ATOM 0 HA ALA A 26 -8.548 -8.956 -4.379 1.00 23.30 H new ATOM 0 HB1 ALA A 26 -8.318 -6.824 -3.149 1.00 10.51 H new ATOM 0 HB2 ALA A 26 -10.024 -7.230 -3.454 1.00 10.51 H new ATOM 0 HB3 ALA A 26 -9.325 -7.481 -1.837 1.00 10.51 H new ATOM 431 N MET A 27 -7.540 -10.079 -1.522 1.00 55.21 N ATOM 432 CA MET A 27 -6.375 -10.523 -0.767 1.00 51.43 C ATOM 433 C MET A 27 -6.001 -11.955 -1.136 1.00 31.11 C ATOM 434 O MET A 27 -5.439 -12.689 -0.322 1.00 52.54 O ATOM 435 CB MET A 27 -6.647 -10.425 0.736 1.00 65.03 C ATOM 436 CG MET A 27 -7.693 -11.411 1.228 1.00 12.42 C ATOM 437 SD MET A 27 -7.468 -11.853 2.962 1.00 24.41 S ATOM 438 CE MET A 27 -5.827 -12.571 2.917 1.00 14.23 C ATOM 0 H MET A 27 -8.433 -10.398 -1.146 1.00 55.21 H new ATOM 0 HA MET A 27 -5.539 -9.872 -1.021 1.00 51.43 H new ATOM 0 HB2 MET A 27 -5.716 -10.594 1.277 1.00 65.03 H new ATOM 0 HB3 MET A 27 -6.974 -9.412 0.973 1.00 65.03 H new ATOM 0 HG2 MET A 27 -8.685 -10.980 1.092 1.00 12.42 H new ATOM 0 HG3 MET A 27 -7.651 -12.314 0.618 1.00 12.42 H new ATOM 0 HE1 MET A 27 -5.851 -13.562 3.370 1.00 14.23 H new ATOM 0 HE2 MET A 27 -5.494 -12.653 1.882 1.00 14.23 H new ATOM 0 HE3 MET A 27 -5.136 -11.935 3.471 1.00 14.23 H new ATOM 448 N ARG A 28 -6.316 -12.345 -2.367 1.00 32.23 N ATOM 449 CA ARG A 28 -6.015 -13.690 -2.841 1.00 65.34 C ATOM 450 C ARG A 28 -4.605 -13.758 -3.421 1.00 23.33 C ATOM 451 O ARG A 28 -3.691 -14.295 -2.795 1.00 33.43 O ATOM 452 CB ARG A 28 -7.033 -14.121 -3.899 1.00 63.31 C ATOM 453 CG ARG A 28 -8.228 -14.865 -3.325 1.00 72.31 C ATOM 454 CD ARG A 28 -9.048 -15.530 -4.421 1.00 2.41 C ATOM 455 NE ARG A 28 -10.264 -16.145 -3.896 1.00 60.21 N ATOM 456 CZ ARG A 28 -11.127 -16.822 -4.645 1.00 62.32 C ATOM 457 NH1 ARG A 28 -10.908 -16.969 -5.945 1.00 14.21 N ATOM 458 NH2 ARG A 28 -12.212 -17.353 -4.095 1.00 63.32 N ATOM 0 H ARG A 28 -6.779 -11.749 -3.053 1.00 32.23 H new ATOM 0 HA ARG A 28 -6.074 -14.370 -1.991 1.00 65.34 H new ATOM 0 HB2 ARG A 28 -7.387 -13.238 -4.432 1.00 63.31 H new ATOM 0 HB3 ARG A 28 -6.536 -14.758 -4.631 1.00 63.31 H new ATOM 0 HG2 ARG A 28 -7.883 -15.620 -2.618 1.00 72.31 H new ATOM 0 HG3 ARG A 28 -8.857 -14.171 -2.768 1.00 72.31 H new ATOM 0 HD2 ARG A 28 -9.313 -14.790 -5.176 1.00 2.41 H new ATOM 0 HD3 ARG A 28 -8.443 -16.289 -4.917 1.00 2.41 H new ATOM 0 HE ARG A 28 -10.461 -16.049 -2.900 1.00 60.21 H new ATOM 0 HH11 ARG A 28 -10.076 -16.562 -6.371 1.00 14.21 H new ATOM 0 HH12 ARG A 28 -11.572 -17.489 -6.518 1.00 14.21 H new ATOM 0 HH21 ARG A 28 -12.384 -17.241 -3.096 1.00 63.32 H new ATOM 0 HH22 ARG A 28 -12.874 -17.873 -4.672 1.00 63.32 H new ATOM 472 N ALA A 29 -4.436 -13.211 -4.621 1.00 21.34 N ATOM 473 CA ALA A 29 -3.138 -13.209 -5.283 1.00 70.45 C ATOM 474 C ALA A 29 -2.108 -12.431 -4.471 1.00 71.23 C ATOM 475 O ALA A 29 -0.914 -12.727 -4.518 1.00 23.22 O ATOM 476 CB ALA A 29 -3.261 -12.625 -6.682 1.00 42.54 C ATOM 0 H ALA A 29 -5.182 -12.764 -5.154 1.00 21.34 H new ATOM 0 HA ALA A 29 -2.796 -14.241 -5.360 1.00 70.45 H new ATOM 0 HB1 ALA A 29 -2.284 -12.629 -7.165 1.00 42.54 H new ATOM 0 HB2 ALA A 29 -3.958 -13.225 -7.267 1.00 42.54 H new ATOM 0 HB3 ALA A 29 -3.629 -11.601 -6.618 1.00 42.54 H new ATOM 482 N ILE A 30 -2.578 -11.434 -3.728 1.00 62.33 N ATOM 483 CA ILE A 30 -1.698 -10.614 -2.906 1.00 65.12 C ATOM 484 C ILE A 30 -1.093 -11.429 -1.767 1.00 41.43 C ATOM 485 O ILE A 30 0.111 -11.681 -1.743 1.00 14.33 O ATOM 486 CB ILE A 30 -2.443 -9.403 -2.316 1.00 34.41 C ATOM 487 CG1 ILE A 30 -3.189 -8.648 -3.420 1.00 23.50 C ATOM 488 CG2 ILE A 30 -1.471 -8.479 -1.599 1.00 53.13 C ATOM 489 CD1 ILE A 30 -2.468 -8.657 -4.750 1.00 32.44 C ATOM 0 H ILE A 30 -3.563 -11.175 -3.679 1.00 62.33 H new ATOM 0 HA ILE A 30 -0.901 -10.256 -3.558 1.00 65.12 H new ATOM 0 HB ILE A 30 -3.172 -9.763 -1.590 1.00 34.41 H new ATOM 0 HG12 ILE A 30 -4.177 -9.090 -3.548 1.00 23.50 H new ATOM 0 HG13 ILE A 30 -3.341 -7.616 -3.105 1.00 23.50 H new ATOM 0 HG21 ILE A 30 -2.014 -7.628 -1.188 1.00 53.13 H new ATOM 0 HG22 ILE A 30 -0.982 -9.022 -0.791 1.00 53.13 H new ATOM 0 HG23 ILE A 30 -0.720 -8.124 -2.304 1.00 53.13 H new ATOM 0 HD11 ILE A 30 -3.053 -8.104 -5.485 1.00 32.44 H new ATOM 0 HD12 ILE A 30 -1.491 -8.188 -4.637 1.00 32.44 H new ATOM 0 HD13 ILE A 30 -2.340 -9.685 -5.088 1.00 32.44 H new ATOM 501 N ASN A 31 -1.938 -11.838 -0.827 1.00 10.33 N ATOM 502 CA ASN A 31 -1.487 -12.625 0.315 1.00 11.33 C ATOM 503 C ASN A 31 -0.504 -13.706 -0.123 1.00 70.14 C ATOM 504 O ASN A 31 0.283 -14.206 0.679 1.00 22.41 O ATOM 505 CB ASN A 31 -2.683 -13.264 1.025 1.00 3.10 C ATOM 506 CG ASN A 31 -3.184 -12.423 2.183 1.00 54.14 C ATOM 507 OD1 ASN A 31 -3.147 -12.850 3.337 1.00 73.34 O ATOM 508 ND2 ASN A 31 -3.658 -11.220 1.879 1.00 63.33 N ATOM 0 H ASN A 31 -2.938 -11.638 -0.833 1.00 10.33 H new ATOM 0 HA ASN A 31 -0.977 -11.955 1.008 1.00 11.33 H new ATOM 0 HB2 ASN A 31 -3.492 -13.410 0.309 1.00 3.10 H new ATOM 0 HB3 ASN A 31 -2.400 -14.251 1.392 1.00 3.10 H new ATOM 0 HD21 ASN A 31 -4.010 -10.609 2.616 1.00 63.33 H new ATOM 0 HD22 ASN A 31 -3.670 -10.907 0.908 1.00 63.33 H new ATOM 515 N ASN A 32 -0.557 -14.062 -1.403 1.00 44.23 N ATOM 516 CA ASN A 32 0.328 -15.084 -1.949 1.00 20.04 C ATOM 517 C ASN A 32 1.790 -14.743 -1.674 1.00 12.20 C ATOM 518 O ASN A 32 2.674 -15.585 -1.825 1.00 40.14 O ATOM 519 CB ASN A 32 0.103 -15.232 -3.455 1.00 75.35 C ATOM 520 CG ASN A 32 0.385 -16.639 -3.947 1.00 54.33 C ATOM 521 OD1 ASN A 32 -0.175 -17.610 -3.438 1.00 53.44 O ATOM 522 ND2 ASN A 32 1.257 -16.754 -4.941 1.00 72.01 N ATOM 0 H ASN A 32 -1.203 -13.658 -2.081 1.00 44.23 H new ATOM 0 HA ASN A 32 0.095 -16.029 -1.458 1.00 20.04 H new ATOM 0 HB2 ASN A 32 -0.927 -14.966 -3.693 1.00 75.35 H new ATOM 0 HB3 ASN A 32 0.745 -14.529 -3.986 1.00 75.35 H new ATOM 0 HD21 ASN A 32 1.487 -17.675 -5.314 1.00 72.01 H new ATOM 0 HD22 ASN A 32 1.697 -15.921 -5.332 1.00 72.01 H new ATOM 529 N TYR A 33 2.035 -13.502 -1.266 1.00 74.04 N ATOM 530 CA TYR A 33 3.388 -13.047 -0.971 1.00 70.10 C ATOM 531 C TYR A 33 3.918 -13.706 0.298 1.00 3.14 C ATOM 532 O TYR A 33 5.128 -13.765 0.521 1.00 11.34 O ATOM 533 CB TYR A 33 3.417 -11.526 -0.820 1.00 34.31 C ATOM 534 CG TYR A 33 2.599 -11.018 0.346 1.00 52.44 C ATOM 535 CD1 TYR A 33 2.953 -11.323 1.654 1.00 41.44 C ATOM 536 CD2 TYR A 33 1.471 -10.233 0.139 1.00 42.34 C ATOM 537 CE1 TYR A 33 2.210 -10.861 2.722 1.00 15.53 C ATOM 538 CE2 TYR A 33 0.721 -9.766 1.202 1.00 54.33 C ATOM 539 CZ TYR A 33 1.094 -10.083 2.491 1.00 11.21 C ATOM 540 OH TYR A 33 0.351 -9.621 3.552 1.00 54.40 O ATOM 0 H TYR A 33 1.313 -12.794 -1.132 1.00 74.04 H new ATOM 0 HA TYR A 33 4.030 -13.334 -1.804 1.00 70.10 H new ATOM 0 HB2 TYR A 33 4.450 -11.201 -0.697 1.00 34.31 H new ATOM 0 HB3 TYR A 33 3.047 -11.071 -1.739 1.00 34.31 H new ATOM 0 HD1 TYR A 33 3.825 -11.933 1.839 1.00 41.44 H new ATOM 0 HD2 TYR A 33 1.175 -9.984 -0.869 1.00 42.34 H new ATOM 0 HE1 TYR A 33 2.501 -11.107 3.733 1.00 15.53 H new ATOM 0 HE2 TYR A 33 -0.152 -9.156 1.024 1.00 54.33 H new ATOM 0 HH TYR A 33 0.934 -9.498 4.330 1.00 54.40 H new ATOM 550 N ARG A 34 3.004 -14.200 1.128 1.00 63.44 N ATOM 551 CA ARG A 34 3.379 -14.854 2.375 1.00 13.01 C ATOM 552 C ARG A 34 2.356 -15.919 2.759 1.00 11.02 C ATOM 553 O ARG A 34 1.388 -16.153 2.036 1.00 72.42 O ATOM 554 CB ARG A 34 3.503 -13.822 3.498 1.00 24.25 C ATOM 555 CG ARG A 34 4.879 -13.182 3.588 1.00 21.41 C ATOM 556 CD ARG A 34 5.834 -14.030 4.413 1.00 5.53 C ATOM 557 NE ARG A 34 7.172 -13.445 4.472 1.00 31.35 N ATOM 558 CZ ARG A 34 8.230 -14.080 4.964 1.00 72.21 C ATOM 559 NH1 ARG A 34 8.108 -15.313 5.436 1.00 61.10 N ATOM 560 NH2 ARG A 34 9.415 -13.482 4.984 1.00 54.12 N ATOM 0 H ARG A 34 1.999 -14.159 0.959 1.00 63.44 H new ATOM 0 HA ARG A 34 4.344 -15.339 2.227 1.00 13.01 H new ATOM 0 HB2 ARG A 34 2.758 -13.041 3.346 1.00 24.25 H new ATOM 0 HB3 ARG A 34 3.272 -14.303 4.449 1.00 24.25 H new ATOM 0 HG2 ARG A 34 5.285 -13.046 2.585 1.00 21.41 H new ATOM 0 HG3 ARG A 34 4.792 -12.191 4.034 1.00 21.41 H new ATOM 0 HD2 ARG A 34 5.441 -14.140 5.424 1.00 5.53 H new ATOM 0 HD3 ARG A 34 5.894 -15.030 3.984 1.00 5.53 H new ATOM 0 HE ARG A 34 7.300 -12.498 4.116 1.00 31.35 H new ATOM 0 HH11 ARG A 34 7.200 -15.777 5.422 1.00 61.10 H new ATOM 0 HH12 ARG A 34 8.922 -15.798 5.813 1.00 61.10 H new ATOM 0 HH21 ARG A 34 9.514 -12.534 4.621 1.00 54.12 H new ATOM 0 HH22 ARG A 34 10.227 -13.971 5.362 1.00 54.12 H new ATOM 574 N TRP A 35 2.577 -16.561 3.901 1.00 41.55 N ATOM 575 CA TRP A 35 1.675 -17.602 4.380 1.00 40.33 C ATOM 576 C TRP A 35 0.664 -17.032 5.368 1.00 34.25 C ATOM 577 O TRP A 35 -0.283 -17.713 5.763 1.00 74.12 O ATOM 578 CB TRP A 35 2.470 -18.731 5.038 1.00 73.34 C ATOM 579 CG TRP A 35 1.787 -20.063 4.957 1.00 53.13 C ATOM 580 CD1 TRP A 35 1.176 -20.734 5.977 1.00 12.51 C ATOM 581 CD2 TRP A 35 1.649 -20.886 3.794 1.00 53.35 C ATOM 582 NE1 TRP A 35 0.666 -21.923 5.518 1.00 33.15 N ATOM 583 CE2 TRP A 35 0.942 -22.040 4.182 1.00 22.25 C ATOM 584 CE3 TRP A 35 2.052 -20.759 2.461 1.00 10.43 C ATOM 585 CZ2 TRP A 35 0.632 -23.059 3.286 1.00 30.40 C ATOM 586 CZ3 TRP A 35 1.744 -21.771 1.574 1.00 60.52 C ATOM 587 CH2 TRP A 35 1.039 -22.910 1.988 1.00 55.10 C ATOM 0 H TRP A 35 3.373 -16.379 4.512 1.00 41.55 H new ATOM 0 HA TRP A 35 1.132 -18.002 3.523 1.00 40.33 H new ATOM 0 HB2 TRP A 35 3.448 -18.802 4.562 1.00 73.34 H new ATOM 0 HB3 TRP A 35 2.643 -18.482 6.085 1.00 73.34 H new ATOM 0 HD1 TRP A 35 1.104 -20.381 6.995 1.00 12.51 H new ATOM 0 HE1 TRP A 35 0.163 -22.609 6.081 1.00 33.15 H new ATOM 0 HE3 TRP A 35 2.594 -19.885 2.131 1.00 10.43 H new ATOM 0 HZ2 TRP A 35 0.089 -23.937 3.604 1.00 30.40 H new ATOM 0 HZ3 TRP A 35 2.052 -21.684 0.542 1.00 60.52 H new ATOM 0 HH2 TRP A 35 0.813 -23.684 1.269 1.00 55.10 H new ATOM 598 N ARG A 36 0.870 -15.780 5.764 1.00 2.03 N ATOM 599 CA ARG A 36 -0.024 -15.121 6.707 1.00 14.25 C ATOM 600 C ARG A 36 -0.690 -13.905 6.068 1.00 23.13 C ATOM 601 O ARG A 36 -0.278 -13.449 5.001 1.00 53.02 O ATOM 602 CB ARG A 36 0.745 -14.694 7.960 1.00 52.23 C ATOM 603 CG ARG A 36 0.151 -13.480 8.655 1.00 33.12 C ATOM 604 CD ARG A 36 1.040 -12.998 9.791 1.00 51.14 C ATOM 605 NE ARG A 36 0.535 -11.769 10.397 1.00 41.12 N ATOM 606 CZ ARG A 36 1.294 -10.926 11.090 1.00 73.31 C ATOM 607 NH1 ARG A 36 2.584 -11.178 11.262 1.00 34.33 N ATOM 608 NH2 ARG A 36 0.761 -9.829 11.612 1.00 61.43 N ATOM 0 H ARG A 36 1.648 -15.202 5.446 1.00 2.03 H new ATOM 0 HA ARG A 36 -0.800 -15.832 6.989 1.00 14.25 H new ATOM 0 HB2 ARG A 36 0.771 -15.528 8.662 1.00 52.23 H new ATOM 0 HB3 ARG A 36 1.777 -14.476 7.686 1.00 52.23 H new ATOM 0 HG2 ARG A 36 0.015 -12.676 7.932 1.00 33.12 H new ATOM 0 HG3 ARG A 36 -0.836 -13.729 9.045 1.00 33.12 H new ATOM 0 HD2 ARG A 36 1.109 -13.775 10.552 1.00 51.14 H new ATOM 0 HD3 ARG A 36 2.049 -12.829 9.415 1.00 51.14 H new ATOM 0 HE ARG A 36 -0.454 -11.545 10.282 1.00 41.12 H new ATOM 0 HH11 ARG A 36 2.997 -12.021 10.862 1.00 34.33 H new ATOM 0 HH12 ARG A 36 3.164 -10.529 11.794 1.00 34.33 H new ATOM 0 HH21 ARG A 36 -0.231 -9.632 11.482 1.00 61.43 H new ATOM 0 HH22 ARG A 36 1.344 -9.182 12.144 1.00 61.43 H new ATOM 622 N CYS A 37 -1.720 -13.387 6.726 1.00 35.05 N ATOM 623 CA CYS A 37 -2.445 -12.226 6.222 1.00 44.43 C ATOM 624 C CYS A 37 -2.015 -10.957 6.954 1.00 64.31 C ATOM 625 O CYS A 37 -1.615 -11.003 8.118 1.00 31.43 O ATOM 626 CB CYS A 37 -3.952 -12.432 6.378 1.00 15.33 C ATOM 627 SG CYS A 37 -4.467 -12.924 8.055 1.00 65.35 S ATOM 0 H CYS A 37 -2.073 -13.753 7.611 1.00 35.05 H new ATOM 0 HA CYS A 37 -2.209 -12.112 5.164 1.00 44.43 H new ATOM 0 HB2 CYS A 37 -4.464 -11.508 6.109 1.00 15.33 H new ATOM 0 HB3 CYS A 37 -4.279 -13.195 5.671 1.00 15.33 H new ATOM 632 N LYS A 38 -2.100 -9.825 6.264 1.00 62.35 N ATOM 633 CA LYS A 38 -1.721 -8.543 6.846 1.00 74.10 C ATOM 634 C LYS A 38 -2.795 -8.046 7.810 1.00 63.13 C ATOM 635 O LYS A 38 -3.936 -7.813 7.416 1.00 60.23 O ATOM 636 CB LYS A 38 -1.492 -7.507 5.744 1.00 40.43 C ATOM 637 CG LYS A 38 -0.350 -6.550 6.037 1.00 44.42 C ATOM 638 CD LYS A 38 -0.441 -5.986 7.446 1.00 63.51 C ATOM 639 CE LYS A 38 0.887 -5.402 7.900 1.00 45.30 C ATOM 640 NZ LYS A 38 1.789 -6.446 8.462 1.00 15.44 N ATOM 0 H LYS A 38 -2.428 -9.769 5.300 1.00 62.35 H new ATOM 0 HA LYS A 38 -0.794 -8.684 7.402 1.00 74.10 H new ATOM 0 HB2 LYS A 38 -1.290 -8.025 4.806 1.00 40.43 H new ATOM 0 HB3 LYS A 38 -2.408 -6.934 5.600 1.00 40.43 H new ATOM 0 HG2 LYS A 38 0.601 -7.068 5.912 1.00 44.42 H new ATOM 0 HG3 LYS A 38 -0.365 -5.733 5.316 1.00 44.42 H new ATOM 0 HD2 LYS A 38 -1.210 -5.214 7.481 1.00 63.51 H new ATOM 0 HD3 LYS A 38 -0.748 -6.773 8.135 1.00 63.51 H new ATOM 0 HE2 LYS A 38 1.377 -4.915 7.057 1.00 45.30 H new ATOM 0 HE3 LYS A 38 0.708 -4.634 8.652 1.00 45.30 H new ATOM 0 HZ1 LYS A 38 2.684 -6.008 8.760 1.00 15.44 H new ATOM 0 HZ2 LYS A 38 1.333 -6.894 9.282 1.00 15.44 H new ATOM 0 HZ3 LYS A 38 1.981 -7.166 7.737 1.00 15.44 H new ATOM 654 N ASN A 39 -2.419 -7.885 9.075 1.00 64.32 N ATOM 655 CA ASN A 39 -3.348 -7.415 10.095 1.00 53.33 C ATOM 656 C ASN A 39 -4.195 -6.260 9.568 1.00 75.13 C ATOM 657 O ASN A 39 -5.283 -5.994 10.077 1.00 41.54 O ATOM 658 CB ASN A 39 -2.586 -6.974 11.345 1.00 4.33 C ATOM 659 CG ASN A 39 -3.427 -6.102 12.258 1.00 22.34 C ATOM 660 OD1 ASN A 39 -3.256 -4.885 12.304 1.00 41.41 O ATOM 661 ND2 ASN A 39 -4.343 -6.726 12.992 1.00 73.12 N ATOM 0 H ASN A 39 -1.477 -8.073 9.418 1.00 64.32 H new ATOM 0 HA ASN A 39 -4.011 -8.240 10.355 1.00 53.33 H new ATOM 0 HB2 ASN A 39 -2.253 -7.855 11.894 1.00 4.33 H new ATOM 0 HB3 ASN A 39 -1.691 -6.427 11.048 1.00 4.33 H new ATOM 0 HD21 ASN A 39 -4.939 -6.193 13.625 1.00 73.12 H new ATOM 0 HD22 ASN A 39 -4.450 -7.738 12.922 1.00 73.12 H new ATOM 668 N GLN A 40 -3.687 -5.579 8.545 1.00 23.41 N ATOM 669 CA GLN A 40 -4.397 -4.453 7.950 1.00 23.02 C ATOM 670 C GLN A 40 -3.847 -4.136 6.564 1.00 41.33 C ATOM 671 O GLN A 40 -2.642 -3.960 6.388 1.00 14.35 O ATOM 672 CB GLN A 40 -4.287 -3.221 8.850 1.00 61.43 C ATOM 673 CG GLN A 40 -5.580 -2.428 8.954 1.00 43.50 C ATOM 674 CD GLN A 40 -5.393 -1.099 9.660 1.00 41.01 C ATOM 675 OE1 GLN A 40 -5.009 -1.052 10.829 1.00 64.42 O ATOM 676 NE2 GLN A 40 -5.665 -0.009 8.952 1.00 51.23 N ATOM 0 H GLN A 40 -2.787 -5.787 8.112 1.00 23.41 H new ATOM 0 HA GLN A 40 -5.447 -4.728 7.850 1.00 23.02 H new ATOM 0 HB2 GLN A 40 -3.982 -3.536 9.848 1.00 61.43 H new ATOM 0 HB3 GLN A 40 -3.501 -2.570 8.467 1.00 61.43 H new ATOM 0 HG2 GLN A 40 -5.975 -2.251 7.954 1.00 43.50 H new ATOM 0 HG3 GLN A 40 -6.322 -3.019 9.490 1.00 43.50 H new ATOM 0 HE21 GLN A 40 -5.981 -0.094 7.986 1.00 51.23 H new ATOM 0 HE22 GLN A 40 -5.558 0.913 9.374 1.00 51.23 H new ATOM 685 N ASN A 41 -4.739 -4.063 5.581 1.00 72.34 N ATOM 686 CA ASN A 41 -4.344 -3.767 4.209 1.00 45.04 C ATOM 687 C ASN A 41 -5.033 -2.503 3.704 1.00 21.22 C ATOM 688 O ASN A 41 -6.136 -2.169 4.139 1.00 62.24 O ATOM 689 CB ASN A 41 -4.678 -4.946 3.293 1.00 35.05 C ATOM 690 CG ASN A 41 -3.750 -5.032 2.098 1.00 64.43 C ATOM 691 OD1 ASN A 41 -3.800 -4.023 1.236 1.00 22.42 O flip ATOM 692 ND2 ASN A 41 -2.997 -5.994 1.951 1.00 12.31 N flip ATOM 0 H ASN A 41 -5.741 -4.205 5.710 1.00 72.34 H new ATOM 0 HA ASN A 41 -3.267 -3.601 4.196 1.00 45.04 H new ATOM 0 HB2 ASN A 41 -4.618 -5.873 3.863 1.00 35.05 H new ATOM 0 HB3 ASN A 41 -5.706 -4.852 2.945 1.00 35.05 H new ATOM 0 HD21 ASN A 41 -2.992 -6.747 2.639 1.00 12.31 H new ATOM 0 HD22 ASN A 41 -2.378 -6.038 1.141 1.00 12.31 H new ATOM 699 N THR A 42 -4.377 -1.806 2.783 1.00 54.05 N ATOM 700 CA THR A 42 -4.927 -0.579 2.218 1.00 43.01 C ATOM 701 C THR A 42 -4.657 -0.494 0.720 1.00 1.13 C ATOM 702 O THR A 42 -3.523 -0.665 0.273 1.00 64.43 O ATOM 703 CB THR A 42 -4.340 0.668 2.905 1.00 20.53 C ATOM 704 OG1 THR A 42 -5.096 0.982 4.080 1.00 71.44 O ATOM 705 CG2 THR A 42 -4.344 1.860 1.960 1.00 62.03 C ATOM 0 H THR A 42 -3.464 -2.069 2.412 1.00 54.05 H new ATOM 0 HA THR A 42 -6.003 -0.607 2.390 1.00 43.01 H new ATOM 0 HB THR A 42 -3.309 0.450 3.184 1.00 20.53 H new ATOM 0 HG1 THR A 42 -4.715 1.775 4.512 1.00 71.44 H new ATOM 0 HG21 THR A 42 -3.925 2.728 2.468 1.00 62.03 H new ATOM 0 HG22 THR A 42 -3.743 1.629 1.080 1.00 62.03 H new ATOM 0 HG23 THR A 42 -5.367 2.078 1.653 1.00 62.03 H new ATOM 713 N PHE A 43 -5.706 -0.227 -0.051 1.00 22.41 N ATOM 714 CA PHE A 43 -5.582 -0.121 -1.500 1.00 51.45 C ATOM 715 C PHE A 43 -6.177 1.193 -2.001 1.00 23.51 C ATOM 716 O PHE A 43 -7.397 1.349 -2.067 1.00 70.13 O ATOM 717 CB PHE A 43 -6.276 -1.301 -2.181 1.00 65.53 C ATOM 718 CG PHE A 43 -6.124 -2.597 -1.438 1.00 11.45 C ATOM 719 CD1 PHE A 43 -6.628 -2.737 -0.154 1.00 35.13 C ATOM 720 CD2 PHE A 43 -5.478 -3.675 -2.020 1.00 64.01 C ATOM 721 CE1 PHE A 43 -6.490 -3.927 0.533 1.00 33.33 C ATOM 722 CE2 PHE A 43 -5.336 -4.868 -1.337 1.00 60.52 C ATOM 723 CZ PHE A 43 -5.844 -4.995 -0.059 1.00 33.51 C ATOM 0 H PHE A 43 -6.651 -0.080 0.303 1.00 22.41 H new ATOM 0 HA PHE A 43 -4.522 -0.139 -1.751 1.00 51.45 H new ATOM 0 HB2 PHE A 43 -7.337 -1.075 -2.288 1.00 65.53 H new ATOM 0 HB3 PHE A 43 -5.872 -1.419 -3.187 1.00 65.53 H new ATOM 0 HD1 PHE A 43 -7.134 -1.906 0.314 1.00 35.13 H new ATOM 0 HD2 PHE A 43 -5.080 -3.582 -3.020 1.00 64.01 H new ATOM 0 HE1 PHE A 43 -6.887 -4.023 1.533 1.00 33.33 H new ATOM 0 HE2 PHE A 43 -4.828 -5.700 -1.802 1.00 60.52 H new ATOM 0 HZ PHE A 43 -5.736 -5.927 0.476 1.00 33.51 H new ATOM 733 N LEU A 44 -5.308 2.133 -2.353 1.00 1.22 N ATOM 734 CA LEU A 44 -5.746 3.433 -2.848 1.00 71.14 C ATOM 735 C LEU A 44 -5.956 3.399 -4.359 1.00 43.02 C ATOM 736 O LEU A 44 -5.077 2.970 -5.108 1.00 10.14 O ATOM 737 CB LEU A 44 -4.721 4.510 -2.488 1.00 75.24 C ATOM 738 CG LEU A 44 -3.286 4.027 -2.277 1.00 25.41 C ATOM 739 CD1 LEU A 44 -2.296 5.133 -2.607 1.00 71.44 C ATOM 740 CD2 LEU A 44 -3.091 3.543 -0.848 1.00 33.13 C ATOM 0 H LEU A 44 -4.295 2.020 -2.305 1.00 1.22 H new ATOM 0 HA LEU A 44 -6.697 3.673 -2.373 1.00 71.14 H new ATOM 0 HB2 LEU A 44 -4.718 5.260 -3.279 1.00 75.24 H new ATOM 0 HB3 LEU A 44 -5.053 5.009 -1.578 1.00 75.24 H new ATOM 0 HG LEU A 44 -3.102 3.190 -2.951 1.00 25.41 H new ATOM 0 HD11 LEU A 44 -1.280 4.770 -2.451 1.00 71.44 H new ATOM 0 HD12 LEU A 44 -2.418 5.432 -3.648 1.00 71.44 H new ATOM 0 HD13 LEU A 44 -2.479 5.990 -1.959 1.00 71.44 H new ATOM 0 HD21 LEU A 44 -2.064 3.203 -0.716 1.00 33.13 H new ATOM 0 HD22 LEU A 44 -3.294 4.360 -0.156 1.00 33.13 H new ATOM 0 HD23 LEU A 44 -3.775 2.718 -0.647 1.00 33.13 H new ATOM 752 N ARG A 45 -7.123 3.854 -4.800 1.00 34.12 N ATOM 753 CA ARG A 45 -7.448 3.877 -6.221 1.00 61.22 C ATOM 754 C ARG A 45 -6.610 4.921 -6.953 1.00 54.32 C ATOM 755 O ARG A 45 -7.094 6.008 -7.271 1.00 51.43 O ATOM 756 CB ARG A 45 -8.935 4.167 -6.422 1.00 15.31 C ATOM 757 CG ARG A 45 -9.843 3.373 -5.496 1.00 2.41 C ATOM 758 CD ARG A 45 -11.297 3.788 -5.649 1.00 21.41 C ATOM 759 NE ARG A 45 -11.719 3.797 -7.048 1.00 23.31 N ATOM 760 CZ ARG A 45 -12.957 4.073 -7.440 1.00 60.40 C ATOM 761 NH1 ARG A 45 -13.891 4.363 -6.545 1.00 1.53 N ATOM 762 NH2 ARG A 45 -13.264 4.061 -8.731 1.00 72.21 N ATOM 0 H ARG A 45 -7.861 4.212 -4.193 1.00 34.12 H new ATOM 0 HA ARG A 45 -7.218 2.896 -6.637 1.00 61.22 H new ATOM 0 HB2 ARG A 45 -9.113 5.231 -6.266 1.00 15.31 H new ATOM 0 HB3 ARG A 45 -9.203 3.947 -7.455 1.00 15.31 H new ATOM 0 HG2 ARG A 45 -9.743 2.309 -5.711 1.00 2.41 H new ATOM 0 HG3 ARG A 45 -9.529 3.520 -4.463 1.00 2.41 H new ATOM 0 HD2 ARG A 45 -11.931 3.105 -5.084 1.00 21.41 H new ATOM 0 HD3 ARG A 45 -11.438 4.781 -5.221 1.00 21.41 H new ATOM 0 HE ARG A 45 -11.024 3.579 -7.762 1.00 23.31 H new ATOM 0 HH11 ARG A 45 -13.659 4.375 -5.552 1.00 1.53 H new ATOM 0 HH12 ARG A 45 -14.841 4.575 -6.850 1.00 1.53 H new ATOM 0 HH21 ARG A 45 -12.548 3.840 -9.423 1.00 72.21 H new ATOM 0 HH22 ARG A 45 -14.216 4.273 -9.031 1.00 72.21 H new ATOM 776 N THR A 46 -5.352 4.584 -7.218 1.00 54.11 N ATOM 777 CA THR A 46 -4.447 5.493 -7.911 1.00 30.21 C ATOM 778 C THR A 46 -3.375 4.725 -8.674 1.00 60.40 C ATOM 779 O THR A 46 -3.098 3.562 -8.377 1.00 41.44 O ATOM 780 CB THR A 46 -3.765 6.465 -6.929 1.00 32.44 C ATOM 781 OG1 THR A 46 -2.760 7.223 -7.609 1.00 44.13 O ATOM 782 CG2 THR A 46 -3.140 5.708 -5.767 1.00 44.03 C ATOM 0 H THR A 46 -4.936 3.688 -6.963 1.00 54.11 H new ATOM 0 HA THR A 46 -5.052 6.065 -8.615 1.00 30.21 H new ATOM 0 HB THR A 46 -4.523 7.142 -6.535 1.00 32.44 H new ATOM 0 HG1 THR A 46 -3.183 7.946 -8.117 1.00 44.13 H new ATOM 0 HG21 THR A 46 -2.664 6.414 -5.087 1.00 44.03 H new ATOM 0 HG22 THR A 46 -3.914 5.156 -5.234 1.00 44.03 H new ATOM 0 HG23 THR A 46 -2.393 5.011 -6.147 1.00 44.03 H new ATOM 790 N THR A 47 -2.772 5.382 -9.661 1.00 22.23 N ATOM 791 CA THR A 47 -1.730 4.760 -10.468 1.00 23.04 C ATOM 792 C THR A 47 -0.363 4.911 -9.810 1.00 65.51 C ATOM 793 O THR A 47 -0.155 5.798 -8.983 1.00 11.53 O ATOM 794 CB THR A 47 -1.677 5.367 -11.882 1.00 61.00 C ATOM 795 OG1 THR A 47 -2.977 5.825 -12.268 1.00 53.52 O ATOM 796 CG2 THR A 47 -1.173 4.346 -12.891 1.00 75.21 C ATOM 0 H THR A 47 -2.988 6.345 -9.920 1.00 22.23 H new ATOM 0 HA THR A 47 -1.979 3.702 -10.545 1.00 23.04 H new ATOM 0 HB THR A 47 -0.986 6.210 -11.866 1.00 61.00 H new ATOM 0 HG1 THR A 47 -3.071 6.774 -12.040 1.00 53.52 H new ATOM 0 HG21 THR A 47 -1.144 4.798 -13.883 1.00 75.21 H new ATOM 0 HG22 THR A 47 -0.171 4.022 -12.611 1.00 75.21 H new ATOM 0 HG23 THR A 47 -1.842 3.486 -12.904 1.00 75.21 H new ATOM 804 N PHE A 48 0.569 4.040 -10.185 1.00 31.43 N ATOM 805 CA PHE A 48 1.917 4.076 -9.631 1.00 63.35 C ATOM 806 C PHE A 48 2.600 5.402 -9.950 1.00 0.22 C ATOM 807 O PHE A 48 3.462 5.865 -9.202 1.00 74.12 O ATOM 808 CB PHE A 48 2.749 2.916 -10.182 1.00 72.44 C ATOM 809 CG PHE A 48 3.847 2.474 -9.258 1.00 5.50 C ATOM 810 CD1 PHE A 48 3.555 1.995 -7.991 1.00 55.25 C ATOM 811 CD2 PHE A 48 5.173 2.537 -9.657 1.00 33.13 C ATOM 812 CE1 PHE A 48 4.564 1.590 -7.139 1.00 23.54 C ATOM 813 CE2 PHE A 48 6.186 2.132 -8.808 1.00 22.11 C ATOM 814 CZ PHE A 48 5.881 1.657 -7.548 1.00 25.41 C ATOM 0 H PHE A 48 0.415 3.301 -10.871 1.00 31.43 H new ATOM 0 HA PHE A 48 1.841 3.977 -8.548 1.00 63.35 H new ATOM 0 HB2 PHE A 48 2.091 2.070 -10.382 1.00 72.44 H new ATOM 0 HB3 PHE A 48 3.185 3.213 -11.136 1.00 72.44 H new ATOM 0 HD1 PHE A 48 2.527 1.938 -7.666 1.00 55.25 H new ATOM 0 HD2 PHE A 48 5.417 2.907 -10.642 1.00 33.13 H new ATOM 0 HE1 PHE A 48 4.323 1.221 -6.153 1.00 23.54 H new ATOM 0 HE2 PHE A 48 7.215 2.187 -9.130 1.00 22.11 H new ATOM 0 HZ PHE A 48 6.671 1.339 -6.884 1.00 25.41 H new ATOM 824 N ALA A 49 2.209 6.009 -11.066 1.00 0.41 N ATOM 825 CA ALA A 49 2.782 7.283 -11.483 1.00 31.40 C ATOM 826 C ALA A 49 2.359 8.409 -10.546 1.00 13.45 C ATOM 827 O ALA A 49 3.181 9.225 -10.130 1.00 23.23 O ATOM 828 CB ALA A 49 2.372 7.603 -12.913 1.00 73.31 C ATOM 0 H ALA A 49 1.498 5.639 -11.697 1.00 0.41 H new ATOM 0 HA ALA A 49 3.868 7.196 -11.438 1.00 31.40 H new ATOM 0 HB1 ALA A 49 2.807 8.557 -13.211 1.00 73.31 H new ATOM 0 HB2 ALA A 49 2.730 6.817 -13.578 1.00 73.31 H new ATOM 0 HB3 ALA A 49 1.285 7.664 -12.975 1.00 73.31 H new ATOM 834 N ASN A 50 1.072 8.447 -10.217 1.00 35.40 N ATOM 835 CA ASN A 50 0.540 9.475 -9.329 1.00 62.42 C ATOM 836 C ASN A 50 1.127 9.340 -7.928 1.00 61.11 C ATOM 837 O ASN A 50 1.126 10.292 -7.147 1.00 73.44 O ATOM 838 CB ASN A 50 -0.987 9.383 -9.265 1.00 64.24 C ATOM 839 CG ASN A 50 -1.626 9.430 -10.640 1.00 13.43 C ATOM 840 OD1 ASN A 50 -2.008 8.268 -11.155 1.00 63.44 O flip ATOM 841 ND2 ASN A 50 -1.776 10.501 -11.229 1.00 63.23 N flip ATOM 0 H ASN A 50 0.378 7.778 -10.552 1.00 35.40 H new ATOM 0 HA ASN A 50 0.823 10.448 -9.730 1.00 62.42 H new ATOM 0 HB2 ASN A 50 -1.272 8.457 -8.766 1.00 64.24 H new ATOM 0 HB3 ASN A 50 -1.373 10.203 -8.659 1.00 64.24 H new ATOM 0 HD21 ASN A 50 -1.467 11.370 -10.794 1.00 63.23 H new ATOM 0 HD22 ASN A 50 -2.210 10.519 -12.152 1.00 63.23 H new ATOM 848 N VAL A 51 1.630 8.150 -7.615 1.00 4.03 N ATOM 849 CA VAL A 51 2.223 7.889 -6.309 1.00 53.01 C ATOM 850 C VAL A 51 3.670 8.367 -6.257 1.00 32.54 C ATOM 851 O VAL A 51 4.060 9.100 -5.349 1.00 43.32 O ATOM 852 CB VAL A 51 2.176 6.389 -5.959 1.00 53.33 C ATOM 853 CG1 VAL A 51 3.211 6.056 -4.897 1.00 4.03 C ATOM 854 CG2 VAL A 51 0.781 5.994 -5.498 1.00 64.13 C ATOM 0 H VAL A 51 1.639 7.351 -8.249 1.00 4.03 H new ATOM 0 HA VAL A 51 1.634 8.443 -5.578 1.00 53.01 H new ATOM 0 HB VAL A 51 2.414 5.817 -6.856 1.00 53.33 H new ATOM 0 HG11 VAL A 51 3.163 4.993 -4.663 1.00 4.03 H new ATOM 0 HG12 VAL A 51 4.206 6.301 -5.269 1.00 4.03 H new ATOM 0 HG13 VAL A 51 3.008 6.635 -3.996 1.00 4.03 H new ATOM 0 HG21 VAL A 51 0.765 4.932 -5.255 1.00 64.13 H new ATOM 0 HG22 VAL A 51 0.512 6.573 -4.614 1.00 64.13 H new ATOM 0 HG23 VAL A 51 0.064 6.194 -6.294 1.00 64.13 H new ATOM 864 N VAL A 52 4.461 7.945 -7.238 1.00 2.41 N ATOM 865 CA VAL A 52 5.866 8.331 -7.306 1.00 31.10 C ATOM 866 C VAL A 52 6.020 9.847 -7.309 1.00 13.44 C ATOM 867 O VAL A 52 7.039 10.379 -6.871 1.00 44.30 O ATOM 868 CB VAL A 52 6.547 7.754 -8.561 1.00 71.15 C ATOM 869 CG1 VAL A 52 7.979 8.255 -8.671 1.00 51.04 C ATOM 870 CG2 VAL A 52 6.505 6.234 -8.539 1.00 20.02 C ATOM 0 H VAL A 52 4.153 7.336 -7.996 1.00 2.41 H new ATOM 0 HA VAL A 52 6.350 7.922 -6.419 1.00 31.10 H new ATOM 0 HB VAL A 52 6.000 8.097 -9.439 1.00 71.15 H new ATOM 0 HG11 VAL A 52 8.443 7.836 -9.564 1.00 51.04 H new ATOM 0 HG12 VAL A 52 7.980 9.343 -8.738 1.00 51.04 H new ATOM 0 HG13 VAL A 52 8.542 7.945 -7.790 1.00 51.04 H new ATOM 0 HG21 VAL A 52 6.991 5.844 -9.433 1.00 20.02 H new ATOM 0 HG22 VAL A 52 7.026 5.868 -7.654 1.00 20.02 H new ATOM 0 HG23 VAL A 52 5.468 5.899 -8.514 1.00 20.02 H new ATOM 880 N ASN A 53 5.000 10.540 -7.806 1.00 72.30 N ATOM 881 CA ASN A 53 5.022 11.996 -7.866 1.00 54.13 C ATOM 882 C ASN A 53 4.828 12.601 -6.478 1.00 74.44 C ATOM 883 O ASN A 53 5.194 13.750 -6.234 1.00 13.42 O ATOM 884 CB ASN A 53 3.933 12.505 -8.813 1.00 70.24 C ATOM 885 CG ASN A 53 3.659 13.986 -8.638 1.00 42.43 C ATOM 886 OD1 ASN A 53 4.414 14.829 -9.123 1.00 43.12 O ATOM 887 ND2 ASN A 53 2.577 14.309 -7.941 1.00 71.13 N ATOM 0 H ASN A 53 4.148 10.116 -8.173 1.00 72.30 H new ATOM 0 HA ASN A 53 5.997 12.304 -8.245 1.00 54.13 H new ATOM 0 HB2 ASN A 53 4.233 12.313 -9.843 1.00 70.24 H new ATOM 0 HB3 ASN A 53 3.014 11.945 -8.639 1.00 70.24 H new ATOM 0 HD21 ASN A 53 2.342 15.290 -7.789 1.00 71.13 H new ATOM 0 HD22 ASN A 53 1.980 13.576 -7.558 1.00 71.13 H new ATOM 894 N VAL A 54 4.249 11.819 -5.574 1.00 21.24 N ATOM 895 CA VAL A 54 4.008 12.276 -4.210 1.00 31.54 C ATOM 896 C VAL A 54 5.292 12.259 -3.390 1.00 42.23 C ATOM 897 O VAL A 54 5.470 13.068 -2.477 1.00 71.43 O ATOM 898 CB VAL A 54 2.950 11.405 -3.505 1.00 70.23 C ATOM 899 CG1 VAL A 54 3.037 11.576 -1.997 1.00 22.04 C ATOM 900 CG2 VAL A 54 1.556 11.747 -4.010 1.00 62.21 C ATOM 0 H VAL A 54 3.938 10.866 -5.761 1.00 21.24 H new ATOM 0 HA VAL A 54 3.638 13.299 -4.280 1.00 31.54 H new ATOM 0 HB VAL A 54 3.150 10.359 -3.740 1.00 70.23 H new ATOM 0 HG11 VAL A 54 2.282 10.953 -1.516 1.00 22.04 H new ATOM 0 HG12 VAL A 54 4.027 11.277 -1.653 1.00 22.04 H new ATOM 0 HG13 VAL A 54 2.864 12.621 -1.739 1.00 22.04 H new ATOM 0 HG21 VAL A 54 0.821 11.123 -3.502 1.00 62.21 H new ATOM 0 HG22 VAL A 54 1.343 12.796 -3.807 1.00 62.21 H new ATOM 0 HG23 VAL A 54 1.504 11.567 -5.084 1.00 62.21 H new ATOM 910 N CYS A 55 6.187 11.334 -3.719 1.00 53.13 N ATOM 911 CA CYS A 55 7.457 11.211 -3.014 1.00 53.14 C ATOM 912 C CYS A 55 8.302 12.469 -3.194 1.00 23.13 C ATOM 913 O CYS A 55 9.102 12.821 -2.328 1.00 11.32 O ATOM 914 CB CYS A 55 8.228 9.989 -3.517 1.00 11.24 C ATOM 915 SG CYS A 55 7.188 8.520 -3.799 1.00 65.13 S ATOM 0 H CYS A 55 6.056 10.657 -4.471 1.00 53.13 H new ATOM 0 HA CYS A 55 7.244 11.086 -1.952 1.00 53.14 H new ATOM 0 HB2 CYS A 55 8.732 10.248 -4.448 1.00 11.24 H new ATOM 0 HB3 CYS A 55 9.004 9.739 -2.793 1.00 11.24 H new ATOM 920 N GLY A 56 8.119 13.143 -4.325 1.00 74.34 N ATOM 921 CA GLY A 56 8.871 14.353 -4.599 1.00 42.41 C ATOM 922 C GLY A 56 8.272 15.572 -3.926 1.00 51.23 C ATOM 923 O GLY A 56 8.509 16.702 -4.350 1.00 50.54 O ATOM 0 H GLY A 56 7.463 12.872 -5.057 1.00 74.34 H new ATOM 0 HA2 GLY A 56 9.899 14.223 -4.260 1.00 42.41 H new ATOM 0 HA3 GLY A 56 8.909 14.518 -5.676 1.00 42.41 H new ATOM 927 N ASN A 57 7.491 15.343 -2.875 1.00 65.02 N ATOM 928 CA ASN A 57 6.854 16.432 -2.145 1.00 11.41 C ATOM 929 C ASN A 57 7.454 16.575 -0.749 1.00 44.03 C ATOM 930 O ASN A 57 8.149 15.681 -0.268 1.00 0.35 O ATOM 931 CB ASN A 57 5.347 16.192 -2.041 1.00 2.11 C ATOM 932 CG ASN A 57 4.674 16.148 -3.398 1.00 72.23 C ATOM 933 OD1 ASN A 57 5.287 16.462 -4.418 1.00 71.22 O ATOM 934 ND2 ASN A 57 3.405 15.756 -3.417 1.00 75.54 N ATOM 0 H ASN A 57 7.284 14.413 -2.510 1.00 65.02 H new ATOM 0 HA ASN A 57 7.031 17.356 -2.695 1.00 11.41 H new ATOM 0 HB2 ASN A 57 5.167 15.253 -1.518 1.00 2.11 H new ATOM 0 HB3 ASN A 57 4.897 16.982 -1.441 1.00 2.11 H new ATOM 0 HD21 ASN A 57 2.900 15.706 -4.302 1.00 75.54 H new ATOM 0 HD22 ASN A 57 2.936 15.505 -2.547 1.00 75.54 H new ATOM 941 N GLN A 58 7.181 17.706 -0.106 1.00 43.14 N ATOM 942 CA GLN A 58 7.695 17.966 1.234 1.00 41.45 C ATOM 943 C GLN A 58 7.486 16.758 2.140 1.00 41.32 C ATOM 944 O GLN A 58 6.370 16.486 2.581 1.00 72.43 O ATOM 945 CB GLN A 58 7.011 19.195 1.835 1.00 50.30 C ATOM 946 CG GLN A 58 7.379 19.446 3.289 1.00 24.21 C ATOM 947 CD GLN A 58 8.762 20.048 3.445 1.00 63.42 C ATOM 948 OE1 GLN A 58 9.024 21.158 2.984 1.00 74.03 O ATOM 949 NE2 GLN A 58 9.656 19.315 4.099 1.00 51.31 N ATOM 0 H GLN A 58 6.607 18.456 -0.491 1.00 43.14 H new ATOM 0 HA GLN A 58 8.765 18.157 1.156 1.00 41.45 H new ATOM 0 HB2 GLN A 58 7.276 20.073 1.245 1.00 50.30 H new ATOM 0 HB3 GLN A 58 5.931 19.073 1.758 1.00 50.30 H new ATOM 0 HG2 GLN A 58 6.643 20.115 3.736 1.00 24.21 H new ATOM 0 HG3 GLN A 58 7.332 18.506 3.839 1.00 24.21 H new ATOM 0 HE21 GLN A 58 9.395 18.399 4.465 1.00 51.31 H new ATOM 0 HE22 GLN A 58 10.603 19.668 4.235 1.00 51.31 H new ATOM 958 N SER A 59 8.568 16.036 2.415 1.00 63.33 N ATOM 959 CA SER A 59 8.503 14.854 3.267 1.00 61.45 C ATOM 960 C SER A 59 8.182 15.239 4.707 1.00 53.25 C ATOM 961 O SER A 59 8.396 16.380 5.118 1.00 73.24 O ATOM 962 CB SER A 59 9.826 14.087 3.214 1.00 53.24 C ATOM 963 OG SER A 59 10.924 14.974 3.085 1.00 60.32 O ATOM 0 H SER A 59 9.500 16.249 2.060 1.00 63.33 H new ATOM 0 HA SER A 59 7.705 14.212 2.895 1.00 61.45 H new ATOM 0 HB2 SER A 59 9.941 13.490 4.119 1.00 53.24 H new ATOM 0 HB3 SER A 59 9.814 13.393 2.374 1.00 53.24 H new ATOM 0 HG SER A 59 11.122 15.113 2.135 1.00 60.32 H new ATOM 969 N ILE A 60 7.668 14.280 5.469 1.00 74.31 N ATOM 970 CA ILE A 60 7.318 14.517 6.864 1.00 60.03 C ATOM 971 C ILE A 60 7.645 13.303 7.727 1.00 31.11 C ATOM 972 O ILE A 60 8.033 12.252 7.216 1.00 34.22 O ATOM 973 CB ILE A 60 5.824 14.857 7.020 1.00 24.10 C ATOM 974 CG1 ILE A 60 4.976 13.947 6.129 1.00 21.13 C ATOM 975 CG2 ILE A 60 5.575 16.319 6.681 1.00 4.43 C ATOM 976 CD1 ILE A 60 3.487 14.106 6.346 1.00 4.10 C ATOM 0 H ILE A 60 7.484 13.331 5.144 1.00 74.31 H new ATOM 0 HA ILE A 60 7.912 15.368 7.198 1.00 60.03 H new ATOM 0 HB ILE A 60 5.535 14.690 8.058 1.00 24.10 H new ATOM 0 HG12 ILE A 60 5.207 14.157 5.085 1.00 21.13 H new ATOM 0 HG13 ILE A 60 5.253 12.909 6.315 1.00 21.13 H new ATOM 0 HG21 ILE A 60 4.515 16.544 6.796 1.00 4.43 H new ATOM 0 HG22 ILE A 60 6.155 16.952 7.352 1.00 4.43 H new ATOM 0 HG23 ILE A 60 5.877 16.510 5.651 1.00 4.43 H new ATOM 0 HD11 ILE A 60 2.948 13.431 5.681 1.00 4.10 H new ATOM 0 HD12 ILE A 60 3.243 13.868 7.381 1.00 4.10 H new ATOM 0 HD13 ILE A 60 3.196 15.134 6.132 1.00 4.10 H new ATOM 988 N ARG A 61 7.485 13.455 9.037 1.00 55.40 N ATOM 989 CA ARG A 61 7.762 12.371 9.972 1.00 52.13 C ATOM 990 C ARG A 61 6.571 11.423 10.073 1.00 21.22 C ATOM 991 O ARG A 61 5.461 11.836 10.407 1.00 74.11 O ATOM 992 CB ARG A 61 8.097 12.934 11.354 1.00 42.10 C ATOM 993 CG ARG A 61 6.986 13.780 11.954 1.00 34.02 C ATOM 994 CD ARG A 61 7.407 14.396 13.278 1.00 44.30 C ATOM 995 NE ARG A 61 6.260 14.811 14.080 1.00 30.30 N ATOM 996 CZ ARG A 61 6.354 15.583 15.156 1.00 23.10 C ATOM 997 NH1 ARG A 61 7.539 16.023 15.557 1.00 13.12 N ATOM 998 NH2 ARG A 61 5.264 15.917 15.833 1.00 34.45 N ATOM 0 H ARG A 61 7.165 14.319 9.475 1.00 55.40 H new ATOM 0 HA ARG A 61 8.619 11.812 9.597 1.00 52.13 H new ATOM 0 HB2 ARG A 61 8.318 12.108 12.030 1.00 42.10 H new ATOM 0 HB3 ARG A 61 9.002 13.537 11.281 1.00 42.10 H new ATOM 0 HG2 ARG A 61 6.711 14.570 11.255 1.00 34.02 H new ATOM 0 HG3 ARG A 61 6.099 13.164 12.104 1.00 34.02 H new ATOM 0 HD2 ARG A 61 8.000 13.675 13.840 1.00 44.30 H new ATOM 0 HD3 ARG A 61 8.047 15.258 13.089 1.00 44.30 H new ATOM 0 HE ARG A 61 5.334 14.490 13.798 1.00 30.30 H new ATOM 0 HH11 ARG A 61 8.380 15.768 15.039 1.00 13.12 H new ATOM 0 HH12 ARG A 61 7.610 16.616 16.384 1.00 13.12 H new ATOM 0 HH21 ARG A 61 4.351 15.581 15.527 1.00 34.45 H new ATOM 0 HH22 ARG A 61 5.339 16.510 16.659 1.00 34.45 H new ATOM 1012 N CYS A 62 6.810 10.148 9.781 1.00 11.12 N ATOM 1013 CA CYS A 62 5.758 9.141 9.838 1.00 20.52 C ATOM 1014 C CYS A 62 5.242 8.973 11.263 1.00 32.35 C ATOM 1015 O CYS A 62 5.983 9.103 12.238 1.00 24.21 O ATOM 1016 CB CYS A 62 6.277 7.802 9.310 1.00 30.45 C ATOM 1017 SG CYS A 62 7.457 7.953 7.930 1.00 0.44 S ATOM 0 H CYS A 62 7.723 9.789 9.503 1.00 11.12 H new ATOM 0 HA CYS A 62 4.933 9.477 9.210 1.00 20.52 H new ATOM 0 HB2 CYS A 62 6.757 7.263 10.127 1.00 30.45 H new ATOM 0 HB3 CYS A 62 5.429 7.199 8.985 1.00 30.45 H new ATOM 1022 N PRO A 63 3.940 8.676 11.390 1.00 20.41 N ATOM 1023 CA PRO A 63 3.295 8.481 12.693 1.00 52.14 C ATOM 1024 C PRO A 63 3.755 7.202 13.383 1.00 32.13 C ATOM 1025 O PRO A 63 3.878 7.154 14.607 1.00 51.41 O ATOM 1026 CB PRO A 63 1.808 8.395 12.343 1.00 55.13 C ATOM 1027 CG PRO A 63 1.777 7.922 10.931 1.00 65.32 C ATOM 1028 CD PRO A 63 2.997 8.505 10.272 1.00 71.41 C ATOM 0 HA PRO A 63 3.537 9.282 13.391 1.00 52.14 H new ATOM 0 HB2 PRO A 63 1.285 7.703 13.004 1.00 55.13 H new ATOM 0 HB3 PRO A 63 1.320 9.364 12.446 1.00 55.13 H new ATOM 0 HG2 PRO A 63 1.791 6.833 10.884 1.00 65.32 H new ATOM 0 HG3 PRO A 63 0.867 8.251 10.429 1.00 65.32 H new ATOM 0 HD2 PRO A 63 3.397 7.840 9.507 1.00 71.41 H new ATOM 0 HD3 PRO A 63 2.775 9.454 9.784 1.00 71.41 H new ATOM 1036 N HIS A 64 4.008 6.166 12.590 1.00 41.03 N ATOM 1037 CA HIS A 64 4.456 4.885 13.125 1.00 51.41 C ATOM 1038 C HIS A 64 5.846 5.010 13.744 1.00 72.33 C ATOM 1039 O HIS A 64 6.237 4.199 14.581 1.00 64.13 O ATOM 1040 CB HIS A 64 4.469 3.824 12.024 1.00 34.14 C ATOM 1041 CG HIS A 64 3.101 3.384 11.600 1.00 13.23 C ATOM 1042 ND1 HIS A 64 2.884 2.384 10.677 1.00 3.04 N ATOM 1043 CD2 HIS A 64 1.875 3.814 11.982 1.00 72.21 C ATOM 1044 CE1 HIS A 64 1.585 2.218 10.506 1.00 1.23 C ATOM 1045 NE2 HIS A 64 0.950 3.074 11.288 1.00 70.20 N ATOM 0 H HIS A 64 3.911 6.188 11.575 1.00 41.03 H new ATOM 0 HA HIS A 64 3.757 4.581 13.904 1.00 51.41 H new ATOM 0 HB2 HIS A 64 5.000 4.218 11.157 1.00 34.14 H new ATOM 0 HB3 HIS A 64 5.029 2.956 12.373 1.00 34.14 H new ATOM 0 HD2 HIS A 64 1.664 4.594 12.699 1.00 72.21 H new ATOM 0 HE1 HIS A 64 1.121 1.505 9.841 1.00 1.23 H new ATOM 0 HE2 HIS A 64 -0.063 3.169 11.364 1.00 70.20 H new ATOM 1054 N ASN A 65 6.585 6.031 13.323 1.00 55.13 N ATOM 1055 CA ASN A 65 7.931 6.262 13.834 1.00 3.10 C ATOM 1056 C ASN A 65 8.211 7.755 13.976 1.00 24.33 C ATOM 1057 O ASN A 65 8.404 8.457 12.983 1.00 3.12 O ATOM 1058 CB ASN A 65 8.967 5.623 12.908 1.00 62.32 C ATOM 1059 CG ASN A 65 8.943 4.108 12.970 1.00 72.20 C ATOM 1060 OD1 ASN A 65 8.793 3.521 14.042 1.00 15.44 O ATOM 1061 ND2 ASN A 65 9.090 3.466 11.817 1.00 55.02 N ATOM 0 H ASN A 65 6.275 6.711 12.629 1.00 55.13 H new ATOM 0 HA ASN A 65 8.002 5.802 14.820 1.00 3.10 H new ATOM 0 HB2 ASN A 65 8.782 5.945 11.883 1.00 62.32 H new ATOM 0 HB3 ASN A 65 9.961 5.979 13.179 1.00 62.32 H new ATOM 0 HD21 ASN A 65 9.081 2.446 11.796 1.00 55.02 H new ATOM 0 HD22 ASN A 65 9.212 3.993 10.952 1.00 55.02 H new ATOM 1068 N ARG A 66 8.232 8.232 15.216 1.00 53.45 N ATOM 1069 CA ARG A 66 8.488 9.642 15.488 1.00 75.32 C ATOM 1070 C ARG A 66 9.951 9.989 15.227 1.00 32.41 C ATOM 1071 O ARG A 66 10.370 11.133 15.405 1.00 12.35 O ATOM 1072 CB ARG A 66 8.122 9.978 16.934 1.00 10.34 C ATOM 1073 CG ARG A 66 8.822 9.101 17.959 1.00 21.54 C ATOM 1074 CD ARG A 66 8.337 9.397 19.370 1.00 14.14 C ATOM 1075 NE ARG A 66 7.084 8.710 19.674 1.00 2.15 N ATOM 1076 CZ ARG A 66 7.000 7.406 19.910 1.00 61.34 C ATOM 1077 NH1 ARG A 66 8.090 6.650 19.877 1.00 52.32 N ATOM 1078 NH2 ARG A 66 5.824 6.854 20.180 1.00 62.42 N ATOM 0 H ARG A 66 8.075 7.663 16.048 1.00 53.45 H new ATOM 0 HA ARG A 66 7.867 10.235 14.816 1.00 75.32 H new ATOM 0 HB2 ARG A 66 8.371 11.021 17.130 1.00 10.34 H new ATOM 0 HB3 ARG A 66 7.044 9.879 17.059 1.00 10.34 H new ATOM 0 HG2 ARG A 66 8.643 8.052 17.724 1.00 21.54 H new ATOM 0 HG3 ARG A 66 9.899 9.261 17.902 1.00 21.54 H new ATOM 0 HD2 ARG A 66 9.100 9.093 20.087 1.00 14.14 H new ATOM 0 HD3 ARG A 66 8.199 10.472 19.488 1.00 14.14 H new ATOM 0 HE ARG A 66 6.227 9.262 19.707 1.00 2.15 H new ATOM 0 HH11 ARG A 66 8.996 7.070 19.670 1.00 52.32 H new ATOM 0 HH12 ARG A 66 8.022 5.649 20.059 1.00 52.32 H new ATOM 0 HH21 ARG A 66 4.984 7.431 20.206 1.00 62.42 H new ATOM 0 HH22 ARG A 66 5.760 5.852 20.361 1.00 62.42 H new ATOM 1092 N THR A 67 10.723 8.994 14.804 1.00 64.42 N ATOM 1093 CA THR A 67 12.139 9.193 14.520 1.00 33.11 C ATOM 1094 C THR A 67 12.429 9.031 13.032 1.00 42.54 C ATOM 1095 O THR A 67 13.109 9.863 12.428 1.00 13.35 O ATOM 1096 CB THR A 67 13.015 8.204 15.312 1.00 40.50 C ATOM 1097 OG1 THR A 67 14.351 8.213 14.798 1.00 24.33 O ATOM 1098 CG2 THR A 67 12.446 6.795 15.236 1.00 71.01 C ATOM 0 H THR A 67 10.392 8.042 14.650 1.00 64.42 H new ATOM 0 HA THR A 67 12.383 10.210 14.827 1.00 33.11 H new ATOM 0 HB THR A 67 13.026 8.518 16.356 1.00 40.50 H new ATOM 0 HG1 THR A 67 14.902 7.583 15.308 1.00 24.33 H new ATOM 0 HG21 THR A 67 13.082 6.115 15.803 1.00 71.01 H new ATOM 0 HG22 THR A 67 11.440 6.786 15.656 1.00 71.01 H new ATOM 0 HG23 THR A 67 12.408 6.474 14.195 1.00 71.01 H new ATOM 1106 N LEU A 68 11.911 7.958 12.446 1.00 72.00 N ATOM 1107 CA LEU A 68 12.114 7.689 11.026 1.00 45.11 C ATOM 1108 C LEU A 68 11.368 8.703 10.167 1.00 71.13 C ATOM 1109 O LEU A 68 10.159 8.881 10.308 1.00 71.23 O ATOM 1110 CB LEU A 68 11.648 6.273 10.684 1.00 30.14 C ATOM 1111 CG LEU A 68 12.385 5.582 9.536 1.00 30.24 C ATOM 1112 CD1 LEU A 68 12.036 4.103 9.491 1.00 4.24 C ATOM 1113 CD2 LEU A 68 12.052 6.250 8.210 1.00 51.32 C ATOM 0 H LEU A 68 11.347 7.260 12.931 1.00 72.00 H new ATOM 0 HA LEU A 68 13.180 7.776 10.814 1.00 45.11 H new ATOM 0 HB2 LEU A 68 11.746 5.655 11.576 1.00 30.14 H new ATOM 0 HB3 LEU A 68 10.587 6.311 10.437 1.00 30.14 H new ATOM 0 HG LEU A 68 13.457 5.676 9.709 1.00 30.24 H new ATOM 0 HD11 LEU A 68 12.570 3.628 8.668 1.00 4.24 H new ATOM 0 HD12 LEU A 68 12.325 3.632 10.431 1.00 4.24 H new ATOM 0 HD13 LEU A 68 10.962 3.987 9.342 1.00 4.24 H new ATOM 0 HD21 LEU A 68 12.585 5.745 7.404 1.00 51.32 H new ATOM 0 HD22 LEU A 68 10.979 6.187 8.030 1.00 51.32 H new ATOM 0 HD23 LEU A 68 12.353 7.297 8.244 1.00 51.32 H new ATOM 1125 N ASN A 69 12.097 9.366 9.274 1.00 62.30 N ATOM 1126 CA ASN A 69 11.503 10.361 8.390 1.00 44.51 C ATOM 1127 C ASN A 69 11.866 10.082 6.934 1.00 2.53 C ATOM 1128 O ASN A 69 12.616 10.836 6.315 1.00 34.23 O ATOM 1129 CB ASN A 69 11.970 11.765 8.783 1.00 15.43 C ATOM 1130 CG ASN A 69 11.721 12.068 10.248 1.00 12.03 C ATOM 1131 OD1 ASN A 69 10.576 12.108 10.700 1.00 73.30 O ATOM 1132 ND2 ASN A 69 12.795 12.284 10.998 1.00 31.52 N ATOM 0 H ASN A 69 13.100 9.232 9.144 1.00 62.30 H new ATOM 0 HA ASN A 69 10.420 10.302 8.493 1.00 44.51 H new ATOM 0 HB2 ASN A 69 13.034 11.864 8.570 1.00 15.43 H new ATOM 0 HB3 ASN A 69 11.452 12.502 8.169 1.00 15.43 H new ATOM 0 HD21 ASN A 69 12.690 12.493 11.991 1.00 31.52 H new ATOM 0 HD22 ASN A 69 13.725 12.241 10.581 1.00 31.52 H new ATOM 1139 N ASN A 70 11.328 8.993 6.395 1.00 14.12 N ATOM 1140 CA ASN A 70 11.595 8.614 5.012 1.00 23.22 C ATOM 1141 C ASN A 70 10.295 8.338 4.263 1.00 10.21 C ATOM 1142 O ASN A 70 10.257 7.521 3.343 1.00 21.43 O ATOM 1143 CB ASN A 70 12.496 7.378 4.965 1.00 14.50 C ATOM 1144 CG ASN A 70 11.738 6.099 5.267 1.00 43.25 C ATOM 1145 OD1 ASN A 70 10.584 6.134 5.693 1.00 30.12 O ATOM 1146 ND2 ASN A 70 12.387 4.962 5.046 1.00 45.22 N ATOM 0 H ASN A 70 10.705 8.358 6.894 1.00 14.12 H new ATOM 0 HA ASN A 70 12.104 9.446 4.525 1.00 23.22 H new ATOM 0 HB2 ASN A 70 12.953 7.302 3.978 1.00 14.50 H new ATOM 0 HB3 ASN A 70 13.307 7.495 5.684 1.00 14.50 H new ATOM 0 HD21 ASN A 70 11.929 4.069 5.230 1.00 45.22 H new ATOM 0 HD22 ASN A 70 13.343 4.981 4.692 1.00 45.22 H new ATOM 1153 N CYS A 71 9.230 9.026 4.664 1.00 41.23 N ATOM 1154 CA CYS A 71 7.928 8.857 4.031 1.00 20.12 C ATOM 1155 C CYS A 71 7.338 10.206 3.631 1.00 71.21 C ATOM 1156 O CYS A 71 7.516 11.205 4.328 1.00 21.13 O ATOM 1157 CB CYS A 71 6.970 8.129 4.977 1.00 62.33 C ATOM 1158 SG CYS A 71 6.581 9.053 6.497 1.00 30.04 S ATOM 0 H CYS A 71 9.244 9.706 5.425 1.00 41.23 H new ATOM 0 HA CYS A 71 8.064 8.259 3.130 1.00 20.12 H new ATOM 0 HB2 CYS A 71 6.042 7.918 4.445 1.00 62.33 H new ATOM 0 HB3 CYS A 71 7.406 7.168 5.250 1.00 62.33 H new ATOM 1163 N HIS A 72 6.635 10.226 2.503 1.00 55.41 N ATOM 1164 CA HIS A 72 6.017 11.452 2.009 1.00 12.03 C ATOM 1165 C HIS A 72 4.510 11.274 1.849 1.00 54.52 C ATOM 1166 O HIS A 72 4.053 10.382 1.134 1.00 21.44 O ATOM 1167 CB HIS A 72 6.640 11.860 0.674 1.00 14.21 C ATOM 1168 CG HIS A 72 8.128 11.697 0.633 1.00 3.21 C ATOM 1169 ND1 HIS A 72 8.987 12.719 0.291 1.00 42.44 N ATOM 1170 CD2 HIS A 72 8.909 10.623 0.896 1.00 72.43 C ATOM 1171 CE1 HIS A 72 10.233 12.279 0.342 1.00 55.35 C ATOM 1172 NE2 HIS A 72 10.212 11.010 0.707 1.00 52.33 N ATOM 0 H HIS A 72 6.479 9.408 1.914 1.00 55.41 H new ATOM 0 HA HIS A 72 6.196 12.241 2.740 1.00 12.03 H new ATOM 0 HB2 HIS A 72 6.195 11.263 -0.123 1.00 14.21 H new ATOM 0 HB3 HIS A 72 6.391 12.901 0.469 1.00 14.21 H new ATOM 0 HD1 HIS A 72 8.706 13.666 0.038 1.00 42.44 H new ATOM 0 HD2 HIS A 72 8.570 9.643 1.198 1.00 72.43 H new ATOM 0 HE1 HIS A 72 11.117 12.859 0.122 1.00 55.35 H new ATOM 1181 N ARG A 73 3.743 12.130 2.517 1.00 3.42 N ATOM 1182 CA ARG A 73 2.289 12.066 2.449 1.00 12.31 C ATOM 1183 C ARG A 73 1.772 12.766 1.196 1.00 72.21 C ATOM 1184 O ARG A 73 2.313 13.789 0.776 1.00 72.33 O ATOM 1185 CB ARG A 73 1.670 12.704 3.695 1.00 63.13 C ATOM 1186 CG ARG A 73 0.151 12.709 3.685 1.00 34.33 C ATOM 1187 CD ARG A 73 -0.408 13.897 4.455 1.00 45.03 C ATOM 1188 NE ARG A 73 -0.043 15.169 3.836 1.00 33.45 N ATOM 1189 CZ ARG A 73 -0.361 16.353 4.349 1.00 61.52 C ATOM 1190 NH1 ARG A 73 -1.046 16.426 5.482 1.00 30.11 N ATOM 1191 NH2 ARG A 73 0.006 17.466 3.728 1.00 23.03 N ATOM 0 H ARG A 73 4.105 12.876 3.111 1.00 3.42 H new ATOM 0 HA ARG A 73 1.998 11.016 2.404 1.00 12.31 H new ATOM 0 HB2 ARG A 73 2.017 12.168 4.578 1.00 63.13 H new ATOM 0 HB3 ARG A 73 2.028 13.730 3.784 1.00 63.13 H new ATOM 0 HG2 ARG A 73 -0.207 12.740 2.656 1.00 34.33 H new ATOM 0 HG3 ARG A 73 -0.220 11.783 4.124 1.00 34.33 H new ATOM 0 HD2 ARG A 73 -1.494 13.817 4.507 1.00 45.03 H new ATOM 0 HD3 ARG A 73 -0.037 13.872 5.480 1.00 45.03 H new ATOM 0 HE ARG A 73 0.484 15.147 2.963 1.00 33.45 H new ATOM 0 HH11 ARG A 73 -1.330 15.572 5.962 1.00 30.11 H new ATOM 0 HH12 ARG A 73 -1.289 17.336 5.873 1.00 30.11 H new ATOM 0 HH21 ARG A 73 0.533 17.414 2.856 1.00 23.03 H new ATOM 0 HH22 ARG A 73 -0.238 18.374 4.122 1.00 23.03 H new ATOM 1205 N SER A 74 0.721 12.207 0.603 1.00 41.35 N ATOM 1206 CA SER A 74 0.133 12.775 -0.605 1.00 42.30 C ATOM 1207 C SER A 74 -0.575 14.091 -0.298 1.00 60.22 C ATOM 1208 O SER A 74 -1.521 14.130 0.490 1.00 61.53 O ATOM 1209 CB SER A 74 -0.851 11.786 -1.232 1.00 14.31 C ATOM 1210 OG SER A 74 -2.157 11.968 -0.712 1.00 14.40 O ATOM 0 H SER A 74 0.260 11.362 0.939 1.00 41.35 H new ATOM 0 HA SER A 74 0.938 12.973 -1.313 1.00 42.30 H new ATOM 0 HB2 SER A 74 -0.865 11.918 -2.314 1.00 14.31 H new ATOM 0 HB3 SER A 74 -0.518 10.766 -1.040 1.00 14.31 H new ATOM 0 HG SER A 74 -2.709 12.439 -1.371 1.00 14.40 H new ATOM 1216 N ARG A 75 -0.111 15.166 -0.925 1.00 4.42 N ATOM 1217 CA ARG A 75 -0.698 16.484 -0.719 1.00 51.31 C ATOM 1218 C ARG A 75 -2.130 16.530 -1.244 1.00 51.10 C ATOM 1219 O ARG A 75 -2.981 17.231 -0.697 1.00 61.03 O ATOM 1220 CB ARG A 75 0.146 17.557 -1.412 1.00 14.04 C ATOM 1221 CG ARG A 75 0.220 17.391 -2.921 1.00 52.41 C ATOM 1222 CD ARG A 75 0.874 18.595 -3.581 1.00 5.24 C ATOM 1223 NE ARG A 75 1.204 18.340 -4.981 1.00 14.11 N ATOM 1224 CZ ARG A 75 1.673 19.269 -5.806 1.00 44.05 C ATOM 1225 NH1 ARG A 75 1.868 20.507 -5.374 1.00 41.05 N ATOM 1226 NH2 ARG A 75 1.949 18.959 -7.067 1.00 52.52 N ATOM 0 H ARG A 75 0.670 15.150 -1.580 1.00 4.42 H new ATOM 0 HA ARG A 75 -0.716 16.682 0.353 1.00 51.31 H new ATOM 0 HB2 ARG A 75 -0.269 18.538 -1.183 1.00 14.04 H new ATOM 0 HB3 ARG A 75 1.156 17.534 -1.002 1.00 14.04 H new ATOM 0 HG2 ARG A 75 0.785 16.491 -3.162 1.00 52.41 H new ATOM 0 HG3 ARG A 75 -0.784 17.255 -3.323 1.00 52.41 H new ATOM 0 HD2 ARG A 75 0.204 19.452 -3.517 1.00 5.24 H new ATOM 0 HD3 ARG A 75 1.781 18.858 -3.037 1.00 5.24 H new ATOM 0 HE ARG A 75 1.067 17.397 -5.345 1.00 14.11 H new ATOM 0 HH11 ARG A 75 1.658 20.748 -4.406 1.00 41.05 H new ATOM 0 HH12 ARG A 75 2.228 21.218 -6.010 1.00 41.05 H new ATOM 0 HH21 ARG A 75 1.801 18.007 -7.402 1.00 52.52 H new ATOM 0 HH22 ARG A 75 2.309 19.673 -7.701 1.00 52.52 H new ATOM 1240 N PHE A 76 -2.388 15.778 -2.309 1.00 11.32 N ATOM 1241 CA PHE A 76 -3.716 15.734 -2.910 1.00 40.11 C ATOM 1242 C PHE A 76 -4.500 14.526 -2.407 1.00 33.32 C ATOM 1243 O PHE A 76 -3.954 13.431 -2.270 1.00 52.11 O ATOM 1244 CB PHE A 76 -3.607 15.687 -4.436 1.00 1.23 C ATOM 1245 CG PHE A 76 -3.550 17.044 -5.075 1.00 52.44 C ATOM 1246 CD1 PHE A 76 -3.054 18.133 -4.377 1.00 10.31 C ATOM 1247 CD2 PHE A 76 -3.993 17.232 -6.375 1.00 25.51 C ATOM 1248 CE1 PHE A 76 -3.002 19.384 -4.963 1.00 2.23 C ATOM 1249 CE2 PHE A 76 -3.942 18.480 -6.967 1.00 34.23 C ATOM 1250 CZ PHE A 76 -3.445 19.557 -6.260 1.00 21.05 C ATOM 0 H PHE A 76 -1.695 15.191 -2.773 1.00 11.32 H new ATOM 0 HA PHE A 76 -4.250 16.638 -2.619 1.00 40.11 H new ATOM 0 HB2 PHE A 76 -2.713 15.127 -4.711 1.00 1.23 H new ATOM 0 HB3 PHE A 76 -4.461 15.141 -4.837 1.00 1.23 H new ATOM 0 HD1 PHE A 76 -2.704 18.003 -3.364 1.00 10.31 H new ATOM 0 HD2 PHE A 76 -4.383 16.393 -6.932 1.00 25.51 H new ATOM 0 HE1 PHE A 76 -2.615 20.225 -4.407 1.00 2.23 H new ATOM 0 HE2 PHE A 76 -4.290 18.613 -7.981 1.00 34.23 H new ATOM 0 HZ PHE A 76 -3.403 20.533 -6.720 1.00 21.05 H new ATOM 1260 N ARG A 77 -5.783 14.734 -2.132 1.00 55.30 N ATOM 1261 CA ARG A 77 -6.644 13.664 -1.641 1.00 61.00 C ATOM 1262 C ARG A 77 -7.086 12.756 -2.785 1.00 61.24 C ATOM 1263 O ARG A 77 -7.174 13.185 -3.935 1.00 51.45 O ATOM 1264 CB ARG A 77 -7.869 14.248 -0.936 1.00 21.03 C ATOM 1265 CG ARG A 77 -7.533 15.026 0.325 1.00 2.12 C ATOM 1266 CD ARG A 77 -8.787 15.532 1.019 1.00 55.00 C ATOM 1267 NE ARG A 77 -9.367 16.682 0.330 1.00 70.20 N ATOM 1268 CZ ARG A 77 -10.143 17.581 0.925 1.00 41.12 C ATOM 1269 NH1 ARG A 77 -10.430 17.465 2.214 1.00 64.31 N ATOM 1270 NH2 ARG A 77 -10.634 18.600 0.230 1.00 25.33 N ATOM 0 H ARG A 77 -6.250 15.634 -2.241 1.00 55.30 H new ATOM 0 HA ARG A 77 -6.073 13.070 -0.927 1.00 61.00 H new ATOM 0 HB2 ARG A 77 -8.397 14.904 -1.628 1.00 21.03 H new ATOM 0 HB3 ARG A 77 -8.552 13.437 -0.681 1.00 21.03 H new ATOM 0 HG2 ARG A 77 -6.970 14.389 1.007 1.00 2.12 H new ATOM 0 HG3 ARG A 77 -6.890 15.869 0.073 1.00 2.12 H new ATOM 0 HD2 ARG A 77 -9.523 14.730 1.068 1.00 55.00 H new ATOM 0 HD3 ARG A 77 -8.547 15.808 2.046 1.00 55.00 H new ATOM 0 HE ARG A 77 -9.165 16.801 -0.663 1.00 70.20 H new ATOM 0 HH11 ARG A 77 -10.055 16.684 2.752 1.00 64.31 H new ATOM 0 HH12 ARG A 77 -11.026 18.157 2.668 1.00 64.31 H new ATOM 0 HH21 ARG A 77 -10.415 18.693 -0.762 1.00 25.33 H new ATOM 0 HH22 ARG A 77 -11.230 19.290 0.688 1.00 25.33 H new ATOM 1284 N VAL A 78 -7.363 11.497 -2.461 1.00 72.31 N ATOM 1285 CA VAL A 78 -7.798 10.527 -3.460 1.00 13.40 C ATOM 1286 C VAL A 78 -8.595 9.398 -2.819 1.00 33.44 C ATOM 1287 O VAL A 78 -8.382 9.031 -1.663 1.00 42.45 O ATOM 1288 CB VAL A 78 -6.599 9.929 -4.219 1.00 40.52 C ATOM 1289 CG1 VAL A 78 -5.530 10.986 -4.449 1.00 52.55 C ATOM 1290 CG2 VAL A 78 -6.030 8.739 -3.461 1.00 43.45 C ATOM 0 H VAL A 78 -7.294 11.124 -1.514 1.00 72.31 H new ATOM 0 HA VAL A 78 -8.435 11.061 -4.165 1.00 13.40 H new ATOM 0 HB VAL A 78 -6.945 9.580 -5.192 1.00 40.52 H new ATOM 0 HG11 VAL A 78 -4.691 10.544 -4.987 1.00 52.55 H new ATOM 0 HG12 VAL A 78 -5.947 11.804 -5.037 1.00 52.55 H new ATOM 0 HG13 VAL A 78 -5.184 11.369 -3.489 1.00 52.55 H new ATOM 0 HG21 VAL A 78 -5.183 8.328 -4.011 1.00 43.45 H new ATOM 0 HG22 VAL A 78 -5.699 9.061 -2.474 1.00 43.45 H new ATOM 0 HG23 VAL A 78 -6.799 7.974 -3.354 1.00 43.45 H new ATOM 1300 N PRO A 79 -9.538 8.830 -3.586 1.00 60.44 N ATOM 1301 CA PRO A 79 -10.386 7.731 -3.115 1.00 2.23 C ATOM 1302 C PRO A 79 -9.607 6.432 -2.938 1.00 34.11 C ATOM 1303 O PRO A 79 -9.054 5.893 -3.897 1.00 44.11 O ATOM 1304 CB PRO A 79 -11.427 7.584 -4.227 1.00 44.05 C ATOM 1305 CG PRO A 79 -10.755 8.115 -5.447 1.00 31.33 C ATOM 1306 CD PRO A 79 -9.847 9.216 -4.973 1.00 63.51 C ATOM 0 HA PRO A 79 -10.816 7.939 -2.135 1.00 2.23 H new ATOM 0 HB2 PRO A 79 -11.722 6.543 -4.359 1.00 44.05 H new ATOM 0 HB3 PRO A 79 -12.333 8.145 -3.998 1.00 44.05 H new ATOM 0 HG2 PRO A 79 -10.189 7.333 -5.953 1.00 31.33 H new ATOM 0 HG3 PRO A 79 -11.486 8.492 -6.162 1.00 31.33 H new ATOM 0 HD2 PRO A 79 -8.945 9.283 -5.582 1.00 63.51 H new ATOM 0 HD3 PRO A 79 -10.337 10.189 -5.020 1.00 63.51 H new ATOM 1314 N LEU A 80 -9.570 5.933 -1.708 1.00 12.55 N ATOM 1315 CA LEU A 80 -8.860 4.696 -1.405 1.00 65.40 C ATOM 1316 C LEU A 80 -9.756 3.725 -0.643 1.00 3.34 C ATOM 1317 O LEU A 80 -10.879 4.065 -0.267 1.00 64.03 O ATOM 1318 CB LEU A 80 -7.600 4.993 -0.589 1.00 21.11 C ATOM 1319 CG LEU A 80 -7.824 5.644 0.776 1.00 2.14 C ATOM 1320 CD1 LEU A 80 -7.936 4.584 1.861 1.00 13.22 C ATOM 1321 CD2 LEU A 80 -6.698 6.618 1.093 1.00 32.24 C ATOM 0 H LEU A 80 -10.024 6.366 -0.904 1.00 12.55 H new ATOM 0 HA LEU A 80 -8.573 4.232 -2.349 1.00 65.40 H new ATOM 0 HB2 LEU A 80 -7.059 4.058 -0.439 1.00 21.11 H new ATOM 0 HB3 LEU A 80 -6.954 5.644 -1.178 1.00 21.11 H new ATOM 0 HG LEU A 80 -8.761 6.201 0.743 1.00 2.14 H new ATOM 0 HD11 LEU A 80 -8.095 5.066 2.826 1.00 13.22 H new ATOM 0 HD12 LEU A 80 -8.777 3.926 1.641 1.00 13.22 H new ATOM 0 HD13 LEU A 80 -7.017 3.999 1.895 1.00 13.22 H new ATOM 0 HD21 LEU A 80 -6.874 7.072 2.068 1.00 32.24 H new ATOM 0 HD22 LEU A 80 -5.748 6.084 1.107 1.00 32.24 H new ATOM 0 HD23 LEU A 80 -6.665 7.396 0.331 1.00 32.24 H new ATOM 1333 N LEU A 81 -9.253 2.517 -0.416 1.00 31.01 N ATOM 1334 CA LEU A 81 -10.007 1.497 0.304 1.00 32.35 C ATOM 1335 C LEU A 81 -9.215 0.977 1.500 1.00 60.32 C ATOM 1336 O LEU A 81 -8.016 0.717 1.399 1.00 22.52 O ATOM 1337 CB LEU A 81 -10.359 0.339 -0.631 1.00 23.12 C ATOM 1338 CG LEU A 81 -11.669 -0.391 -0.333 1.00 34.10 C ATOM 1339 CD1 LEU A 81 -11.765 -0.734 1.145 1.00 22.12 C ATOM 1340 CD2 LEU A 81 -12.859 0.454 -0.765 1.00 12.42 C ATOM 0 H LEU A 81 -8.326 2.220 -0.720 1.00 31.01 H new ATOM 0 HA LEU A 81 -10.927 1.952 0.671 1.00 32.35 H new ATOM 0 HB2 LEU A 81 -10.404 0.722 -1.650 1.00 23.12 H new ATOM 0 HB3 LEU A 81 -9.547 -0.387 -0.599 1.00 23.12 H new ATOM 0 HG LEU A 81 -11.683 -1.321 -0.902 1.00 34.10 H new ATOM 0 HD11 LEU A 81 -12.704 -1.253 1.338 1.00 22.12 H new ATOM 0 HD12 LEU A 81 -10.931 -1.377 1.424 1.00 22.12 H new ATOM 0 HD13 LEU A 81 -11.729 0.182 1.734 1.00 22.12 H new ATOM 0 HD21 LEU A 81 -13.783 -0.080 -0.546 1.00 12.42 H new ATOM 0 HD22 LEU A 81 -12.849 1.400 -0.223 1.00 12.42 H new ATOM 0 HD23 LEU A 81 -12.798 0.648 -1.836 1.00 12.42 H new ATOM 1352 N HIS A 82 -9.895 0.826 2.632 1.00 0.52 N ATOM 1353 CA HIS A 82 -9.255 0.335 3.848 1.00 33.43 C ATOM 1354 C HIS A 82 -9.655 -1.112 4.125 1.00 43.33 C ATOM 1355 O HIS A 82 -10.726 -1.561 3.715 1.00 3.43 O ATOM 1356 CB HIS A 82 -9.632 1.216 5.040 1.00 43.32 C ATOM 1357 CG HIS A 82 -9.336 2.669 4.826 1.00 10.14 C ATOM 1358 ND1 HIS A 82 -10.320 3.619 4.650 1.00 71.14 N ATOM 1359 CD2 HIS A 82 -8.159 3.334 4.765 1.00 5.12 C ATOM 1360 CE1 HIS A 82 -9.761 4.804 4.486 1.00 61.43 C ATOM 1361 NE2 HIS A 82 -8.449 4.658 4.552 1.00 51.21 N ATOM 0 H HIS A 82 -10.888 1.036 2.733 1.00 0.52 H new ATOM 0 HA HIS A 82 -8.175 0.375 3.703 1.00 33.43 H new ATOM 0 HB2 HIS A 82 -10.695 1.097 5.248 1.00 43.32 H new ATOM 0 HB3 HIS A 82 -9.094 0.870 5.922 1.00 43.32 H new ATOM 0 HD1 HIS A 82 -11.323 3.435 4.647 1.00 71.14 H new ATOM 0 HD2 HIS A 82 -7.174 2.903 4.865 1.00 5.12 H new ATOM 0 HE1 HIS A 82 -10.286 5.734 4.325 1.00 61.43 H new ATOM 1370 N CYS A 83 -8.786 -1.837 4.821 1.00 41.23 N ATOM 1371 CA CYS A 83 -9.045 -3.233 5.151 1.00 43.04 C ATOM 1372 C CYS A 83 -8.365 -3.618 6.462 1.00 50.21 C ATOM 1373 O CYS A 83 -7.150 -3.483 6.605 1.00 4.31 O ATOM 1374 CB CYS A 83 -8.557 -4.145 4.024 1.00 50.22 C ATOM 1375 SG CYS A 83 -9.634 -4.153 2.555 1.00 64.21 S ATOM 0 H CYS A 83 -7.895 -1.480 5.168 1.00 41.23 H new ATOM 0 HA CYS A 83 -10.121 -3.358 5.270 1.00 43.04 H new ATOM 0 HB2 CYS A 83 -7.556 -3.833 3.726 1.00 50.22 H new ATOM 0 HB3 CYS A 83 -8.473 -5.163 4.405 1.00 50.22 H new ATOM 1380 N ASP A 84 -9.157 -4.097 7.414 1.00 14.35 N ATOM 1381 CA ASP A 84 -8.632 -4.501 8.713 1.00 32.34 C ATOM 1382 C ASP A 84 -8.903 -5.981 8.971 1.00 13.31 C ATOM 1383 O ASP A 84 -10.008 -6.470 8.736 1.00 33.32 O ATOM 1384 CB ASP A 84 -9.253 -3.655 9.826 1.00 73.05 C ATOM 1385 CG ASP A 84 -8.831 -4.114 11.208 1.00 53.35 C ATOM 1386 OD1 ASP A 84 -7.673 -3.846 11.593 1.00 33.41 O ATOM 1387 OD2 ASP A 84 -9.658 -4.739 11.903 1.00 10.45 O ATOM 0 H ASP A 84 -10.165 -4.215 7.311 1.00 14.35 H new ATOM 0 HA ASP A 84 -7.554 -4.342 8.706 1.00 32.34 H new ATOM 0 HB2 ASP A 84 -8.965 -2.613 9.689 1.00 73.05 H new ATOM 0 HB3 ASP A 84 -10.339 -3.699 9.748 1.00 73.05 H new ATOM 1392 N LEU A 85 -7.887 -6.687 9.455 1.00 35.02 N ATOM 1393 CA LEU A 85 -8.016 -8.111 9.744 1.00 2.54 C ATOM 1394 C LEU A 85 -9.285 -8.393 10.543 1.00 45.24 C ATOM 1395 O LEU A 85 -9.271 -8.379 11.774 1.00 21.14 O ATOM 1396 CB LEU A 85 -6.792 -8.606 10.518 1.00 11.05 C ATOM 1397 CG LEU A 85 -6.829 -10.067 10.970 1.00 62.34 C ATOM 1398 CD1 LEU A 85 -6.835 -10.997 9.766 1.00 14.02 C ATOM 1399 CD2 LEU A 85 -5.648 -10.375 11.878 1.00 41.24 C ATOM 0 H LEU A 85 -6.966 -6.297 9.655 1.00 35.02 H new ATOM 0 HA LEU A 85 -8.080 -8.645 8.796 1.00 2.54 H new ATOM 0 HB2 LEU A 85 -5.910 -8.462 9.894 1.00 11.05 H new ATOM 0 HB3 LEU A 85 -6.666 -7.977 11.399 1.00 11.05 H new ATOM 0 HG LEU A 85 -7.747 -10.230 11.535 1.00 62.34 H new ATOM 0 HD11 LEU A 85 -6.861 -12.032 10.106 1.00 14.02 H new ATOM 0 HD12 LEU A 85 -7.713 -10.794 9.154 1.00 14.02 H new ATOM 0 HD13 LEU A 85 -5.934 -10.832 9.175 1.00 14.02 H new ATOM 0 HD21 LEU A 85 -5.691 -11.419 12.190 1.00 41.24 H new ATOM 0 HD22 LEU A 85 -4.718 -10.195 11.339 1.00 41.24 H new ATOM 0 HD23 LEU A 85 -5.688 -9.732 12.757 1.00 41.24 H new ATOM 1411 N ILE A 86 -10.378 -8.651 9.834 1.00 75.11 N ATOM 1412 CA ILE A 86 -11.655 -8.939 10.476 1.00 62.21 C ATOM 1413 C ILE A 86 -11.549 -10.159 11.385 1.00 62.41 C ATOM 1414 O ILE A 86 -12.459 -10.448 12.161 1.00 45.42 O ATOM 1415 CB ILE A 86 -12.766 -9.181 9.437 1.00 10.24 C ATOM 1416 CG1 ILE A 86 -13.195 -7.858 8.800 1.00 12.13 C ATOM 1417 CG2 ILE A 86 -13.955 -9.875 10.085 1.00 41.52 C ATOM 1418 CD1 ILE A 86 -14.031 -6.990 9.716 1.00 45.41 C ATOM 0 H ILE A 86 -10.405 -8.667 8.814 1.00 75.11 H new ATOM 0 HA ILE A 86 -11.913 -8.065 11.073 1.00 62.21 H new ATOM 0 HB ILE A 86 -12.376 -9.830 8.653 1.00 10.24 H new ATOM 0 HG12 ILE A 86 -12.306 -7.304 8.499 1.00 12.13 H new ATOM 0 HG13 ILE A 86 -13.762 -8.068 7.893 1.00 12.13 H new ATOM 0 HG21 ILE A 86 -14.732 -10.039 9.338 1.00 41.52 H new ATOM 0 HG22 ILE A 86 -13.638 -10.834 10.495 1.00 41.52 H new ATOM 0 HG23 ILE A 86 -14.349 -9.250 10.887 1.00 41.52 H new ATOM 0 HD11 ILE A 86 -14.299 -6.069 9.199 1.00 45.41 H new ATOM 0 HD12 ILE A 86 -14.938 -7.526 9.997 1.00 45.41 H new ATOM 0 HD13 ILE A 86 -13.459 -6.750 10.612 1.00 45.41 H new ATOM 1430 N ASN A 87 -10.431 -10.871 11.283 1.00 75.41 N ATOM 1431 CA ASN A 87 -10.206 -12.061 12.097 1.00 54.32 C ATOM 1432 C ASN A 87 -8.996 -11.875 13.006 1.00 4.12 C ATOM 1433 O ASN A 87 -7.886 -12.316 12.702 1.00 34.44 O ATOM 1434 CB ASN A 87 -10.004 -13.285 11.203 1.00 64.44 C ATOM 1435 CG ASN A 87 -9.384 -12.928 9.864 1.00 0.44 C ATOM 1436 OD1 ASN A 87 -10.015 -12.281 9.029 1.00 71.54 O ATOM 1437 ND2 ASN A 87 -8.142 -13.350 9.657 1.00 53.13 N ATOM 0 H ASN A 87 -9.667 -10.645 10.646 1.00 75.41 H new ATOM 0 HA ASN A 87 -11.086 -12.217 12.720 1.00 54.32 H new ATOM 0 HB2 ASN A 87 -9.366 -14.004 11.716 1.00 64.44 H new ATOM 0 HB3 ASN A 87 -10.965 -13.773 11.037 1.00 64.44 H new ATOM 0 HD21 ASN A 87 -7.672 -13.140 8.776 1.00 53.13 H new ATOM 0 HD22 ASN A 87 -7.658 -13.884 10.379 1.00 53.13 H new ATOM 1444 N PRO A 88 -9.211 -11.208 14.150 1.00 62.12 N ATOM 1445 CA PRO A 88 -8.149 -10.951 15.128 1.00 74.42 C ATOM 1446 C PRO A 88 -7.697 -12.221 15.839 1.00 4.32 C ATOM 1447 O PRO A 88 -8.462 -12.835 16.581 1.00 44.40 O ATOM 1448 CB PRO A 88 -8.808 -9.988 16.119 1.00 44.20 C ATOM 1449 CG PRO A 88 -10.266 -10.270 16.010 1.00 52.44 C ATOM 1450 CD PRO A 88 -10.507 -10.655 14.577 1.00 43.35 C ATOM 0 HA PRO A 88 -7.249 -10.553 14.659 1.00 74.42 H new ATOM 0 HB2 PRO A 88 -8.447 -10.156 17.134 1.00 44.20 H new ATOM 0 HB3 PRO A 88 -8.586 -8.950 15.870 1.00 44.20 H new ATOM 0 HG2 PRO A 88 -10.559 -11.074 16.685 1.00 52.44 H new ATOM 0 HG3 PRO A 88 -10.854 -9.394 16.283 1.00 52.44 H new ATOM 0 HD2 PRO A 88 -11.307 -11.390 14.487 1.00 43.35 H new ATOM 0 HD3 PRO A 88 -10.796 -9.795 13.973 1.00 43.35 H new ATOM 1458 N GLY A 89 -6.446 -12.609 15.609 1.00 45.53 N ATOM 1459 CA GLY A 89 -5.912 -13.804 16.236 1.00 11.13 C ATOM 1460 C GLY A 89 -5.793 -14.963 15.266 1.00 23.44 C ATOM 1461 O GLY A 89 -5.228 -16.004 15.600 1.00 65.20 O ATOM 0 H GLY A 89 -5.793 -12.117 14.999 1.00 45.53 H new ATOM 0 HA2 GLY A 89 -4.931 -13.583 16.656 1.00 11.13 H new ATOM 0 HA3 GLY A 89 -6.556 -14.094 17.066 1.00 11.13 H new ATOM 1465 N ALA A 90 -6.329 -14.785 14.063 1.00 12.34 N ATOM 1466 CA ALA A 90 -6.281 -15.825 13.043 1.00 3.43 C ATOM 1467 C ALA A 90 -5.247 -15.493 11.971 1.00 32.13 C ATOM 1468 O ALA A 90 -5.278 -14.414 11.381 1.00 50.13 O ATOM 1469 CB ALA A 90 -7.653 -16.013 12.416 1.00 51.34 C ATOM 0 H ALA A 90 -6.802 -13.930 13.771 1.00 12.34 H new ATOM 0 HA ALA A 90 -5.983 -16.757 13.522 1.00 3.43 H new ATOM 0 HB1 ALA A 90 -7.602 -16.793 11.656 1.00 51.34 H new ATOM 0 HB2 ALA A 90 -8.368 -16.303 13.186 1.00 51.34 H new ATOM 0 HB3 ALA A 90 -7.974 -15.078 11.956 1.00 51.34 H new ATOM 1475 N GLN A 91 -4.335 -16.428 11.726 1.00 60.00 N ATOM 1476 CA GLN A 91 -3.292 -16.233 10.727 1.00 63.45 C ATOM 1477 C GLN A 91 -3.400 -17.276 9.618 1.00 3.30 C ATOM 1478 O GLN A 91 -2.478 -18.063 9.401 1.00 14.34 O ATOM 1479 CB GLN A 91 -1.910 -16.306 11.379 1.00 73.04 C ATOM 1480 CG GLN A 91 -1.518 -15.035 12.114 1.00 50.42 C ATOM 1481 CD GLN A 91 -0.488 -15.282 13.199 1.00 73.14 C ATOM 1482 OE1 GLN A 91 0.669 -15.593 12.912 1.00 23.32 O ATOM 1483 NE2 GLN A 91 -0.903 -15.144 14.452 1.00 43.31 N ATOM 0 H GLN A 91 -4.297 -17.328 12.205 1.00 60.00 H new ATOM 0 HA GLN A 91 -3.426 -15.245 10.287 1.00 63.45 H new ATOM 0 HB2 GLN A 91 -1.891 -17.141 12.079 1.00 73.04 H new ATOM 0 HB3 GLN A 91 -1.166 -16.516 10.611 1.00 73.04 H new ATOM 0 HG2 GLN A 91 -1.121 -14.314 11.399 1.00 50.42 H new ATOM 0 HG3 GLN A 91 -2.407 -14.587 12.558 1.00 50.42 H new ATOM 0 HE21 GLN A 91 -1.871 -14.885 14.643 1.00 43.31 H new ATOM 0 HE22 GLN A 91 -0.254 -15.297 15.224 1.00 43.31 H new ATOM 1492 N ASN A 92 -4.530 -17.276 8.920 1.00 22.53 N ATOM 1493 CA ASN A 92 -4.757 -18.224 7.835 1.00 72.23 C ATOM 1494 C ASN A 92 -5.214 -17.503 6.570 1.00 43.41 C ATOM 1495 O ASN A 92 -6.384 -17.143 6.436 1.00 42.12 O ATOM 1496 CB ASN A 92 -5.802 -19.263 8.247 1.00 34.21 C ATOM 1497 CG ASN A 92 -6.903 -18.668 9.104 1.00 54.52 C ATOM 1498 OD1 ASN A 92 -7.252 -17.496 8.959 1.00 2.05 O ATOM 1499 ND2 ASN A 92 -7.454 -19.474 10.003 1.00 61.41 N ATOM 0 H ASN A 92 -5.303 -16.631 9.086 1.00 22.53 H new ATOM 0 HA ASN A 92 -3.814 -18.729 7.625 1.00 72.23 H new ATOM 0 HB2 ASN A 92 -6.241 -19.707 7.353 1.00 34.21 H new ATOM 0 HB3 ASN A 92 -5.313 -20.068 8.796 1.00 34.21 H new ATOM 0 HD21 ASN A 92 -8.199 -19.129 10.609 1.00 61.41 H new ATOM 0 HD22 ASN A 92 -7.133 -20.438 10.088 1.00 61.41 H new ATOM 1506 N ILE A 93 -4.282 -17.295 5.646 1.00 61.24 N ATOM 1507 CA ILE A 93 -4.589 -16.618 4.391 1.00 60.10 C ATOM 1508 C ILE A 93 -5.760 -17.287 3.678 1.00 43.23 C ATOM 1509 O ILE A 93 -6.346 -16.716 2.757 1.00 24.34 O ATOM 1510 CB ILE A 93 -3.371 -16.601 3.449 1.00 40.51 C ATOM 1511 CG1 ILE A 93 -2.818 -18.015 3.268 1.00 4.11 C ATOM 1512 CG2 ILE A 93 -2.296 -15.670 3.991 1.00 42.32 C ATOM 1513 CD1 ILE A 93 -2.052 -18.204 1.977 1.00 72.44 C ATOM 0 H ILE A 93 -3.309 -17.585 5.742 1.00 61.24 H new ATOM 0 HA ILE A 93 -4.858 -15.592 4.643 1.00 60.10 H new ATOM 0 HB ILE A 93 -3.689 -16.229 2.475 1.00 40.51 H new ATOM 0 HG12 ILE A 93 -2.163 -18.251 4.107 1.00 4.11 H new ATOM 0 HG13 ILE A 93 -3.644 -18.726 3.298 1.00 4.11 H new ATOM 0 HG21 ILE A 93 -1.441 -15.668 3.315 1.00 42.32 H new ATOM 0 HG22 ILE A 93 -2.697 -14.660 4.072 1.00 42.32 H new ATOM 0 HG23 ILE A 93 -1.979 -16.014 4.975 1.00 42.32 H new ATOM 0 HD11 ILE A 93 -1.689 -19.230 1.916 1.00 72.44 H new ATOM 0 HD12 ILE A 93 -2.709 -18.000 1.131 1.00 72.44 H new ATOM 0 HD13 ILE A 93 -1.205 -17.518 1.952 1.00 72.44 H new ATOM 1525 N SER A 94 -6.095 -18.498 4.110 1.00 51.43 N ATOM 1526 CA SER A 94 -7.195 -19.245 3.512 1.00 63.13 C ATOM 1527 C SER A 94 -8.520 -18.889 4.179 1.00 0.00 C ATOM 1528 O SER A 94 -9.585 -19.012 3.574 1.00 62.44 O ATOM 1529 CB SER A 94 -6.941 -20.750 3.628 1.00 10.42 C ATOM 1530 OG SER A 94 -8.022 -21.492 3.095 1.00 20.43 O ATOM 0 H SER A 94 -5.621 -18.983 4.872 1.00 51.43 H new ATOM 0 HA SER A 94 -7.254 -18.974 2.458 1.00 63.13 H new ATOM 0 HB2 SER A 94 -6.023 -21.009 3.100 1.00 10.42 H new ATOM 0 HB3 SER A 94 -6.793 -21.017 4.674 1.00 10.42 H new ATOM 0 HG SER A 94 -7.834 -22.450 3.180 1.00 20.43 H new ATOM 1536 N ASN A 95 -8.446 -18.446 5.430 1.00 64.14 N ATOM 1537 CA ASN A 95 -9.639 -18.072 6.181 1.00 71.54 C ATOM 1538 C ASN A 95 -9.491 -16.676 6.776 1.00 61.14 C ATOM 1539 O ASN A 95 -10.210 -16.306 7.704 1.00 12.40 O ATOM 1540 CB ASN A 95 -9.906 -19.088 7.293 1.00 42.30 C ATOM 1541 CG ASN A 95 -11.379 -19.193 7.639 1.00 3.41 C ATOM 1542 OD1 ASN A 95 -12.115 -19.975 7.038 1.00 54.50 O ATOM 1543 ND2 ASN A 95 -11.815 -18.402 8.613 1.00 10.44 N ATOM 0 H ASN A 95 -7.572 -18.337 5.945 1.00 64.14 H new ATOM 0 HA ASN A 95 -10.485 -18.066 5.493 1.00 71.54 H new ATOM 0 HB2 ASN A 95 -9.538 -20.066 6.984 1.00 42.30 H new ATOM 0 HB3 ASN A 95 -9.346 -18.803 8.184 1.00 42.30 H new ATOM 0 HD21 ASN A 95 -12.796 -18.428 8.890 1.00 10.44 H new ATOM 0 HD22 ASN A 95 -11.168 -17.769 9.084 1.00 10.44 H new ATOM 1550 N CYS A 96 -8.555 -15.903 6.235 1.00 63.43 N ATOM 1551 CA CYS A 96 -8.312 -14.548 6.711 1.00 42.50 C ATOM 1552 C CYS A 96 -9.234 -13.552 6.013 1.00 22.23 C ATOM 1553 O CYS A 96 -9.025 -13.206 4.851 1.00 41.52 O ATOM 1554 CB CYS A 96 -6.852 -14.157 6.478 1.00 43.34 C ATOM 1555 SG CYS A 96 -5.769 -14.425 7.918 1.00 53.12 S ATOM 0 H CYS A 96 -7.952 -16.193 5.465 1.00 63.43 H new ATOM 0 HA CYS A 96 -8.522 -14.523 7.780 1.00 42.50 H new ATOM 0 HB2 CYS A 96 -6.465 -14.729 5.635 1.00 43.34 H new ATOM 0 HB3 CYS A 96 -6.810 -13.105 6.196 1.00 43.34 H new ATOM 1560 N ARG A 97 -10.255 -13.096 6.731 1.00 34.21 N ATOM 1561 CA ARG A 97 -11.210 -12.142 6.182 1.00 71.55 C ATOM 1562 C ARG A 97 -10.789 -10.710 6.495 1.00 41.04 C ATOM 1563 O ARG A 97 -10.082 -10.459 7.471 1.00 72.30 O ATOM 1564 CB ARG A 97 -12.609 -12.409 6.741 1.00 53.53 C ATOM 1565 CG ARG A 97 -13.118 -13.814 6.467 1.00 74.24 C ATOM 1566 CD ARG A 97 -13.871 -13.886 5.147 1.00 52.32 C ATOM 1567 NE ARG A 97 -14.753 -15.048 5.084 1.00 62.13 N ATOM 1568 CZ ARG A 97 -15.795 -15.136 4.263 1.00 24.24 C ATOM 1569 NH1 ARG A 97 -16.083 -14.136 3.442 1.00 11.13 N ATOM 1570 NH2 ARG A 97 -16.550 -16.228 4.264 1.00 41.10 N ATOM 0 H ARG A 97 -10.442 -13.372 7.695 1.00 34.21 H new ATOM 0 HA ARG A 97 -11.229 -12.267 5.099 1.00 71.55 H new ATOM 0 HB2 ARG A 97 -12.599 -12.239 7.818 1.00 53.53 H new ATOM 0 HB3 ARG A 97 -13.306 -11.689 6.311 1.00 53.53 H new ATOM 0 HG2 ARG A 97 -12.278 -14.509 6.447 1.00 74.24 H new ATOM 0 HG3 ARG A 97 -13.773 -14.130 7.279 1.00 74.24 H new ATOM 0 HD2 ARG A 97 -14.458 -12.977 5.014 1.00 52.32 H new ATOM 0 HD3 ARG A 97 -13.157 -13.927 4.324 1.00 52.32 H new ATOM 0 HE ARG A 97 -14.559 -15.835 5.703 1.00 62.13 H new ATOM 0 HH11 ARG A 97 -15.504 -13.296 3.439 1.00 11.13 H new ATOM 0 HH12 ARG A 97 -16.883 -14.207 2.813 1.00 11.13 H new ATOM 0 HH21 ARG A 97 -16.331 -16.999 4.895 1.00 41.10 H new ATOM 0 HH22 ARG A 97 -17.350 -16.296 3.634 1.00 41.10 H new ATOM 1584 N TYR A 98 -11.228 -9.774 5.660 1.00 12.32 N ATOM 1585 CA TYR A 98 -10.894 -8.366 5.847 1.00 30.45 C ATOM 1586 C TYR A 98 -12.157 -7.517 5.951 1.00 11.32 C ATOM 1587 O TYR A 98 -13.258 -7.982 5.659 1.00 42.35 O ATOM 1588 CB TYR A 98 -10.025 -7.869 4.690 1.00 14.12 C ATOM 1589 CG TYR A 98 -8.577 -8.292 4.796 1.00 54.43 C ATOM 1590 CD1 TYR A 98 -7.891 -8.194 6.000 1.00 13.13 C ATOM 1591 CD2 TYR A 98 -7.895 -8.786 3.692 1.00 74.33 C ATOM 1592 CE1 TYR A 98 -6.568 -8.578 6.102 1.00 53.11 C ATOM 1593 CE2 TYR A 98 -6.573 -9.173 3.783 1.00 4.04 C ATOM 1594 CZ TYR A 98 -5.913 -9.067 4.990 1.00 2.32 C ATOM 1595 OH TYR A 98 -4.595 -9.450 5.086 1.00 22.44 O ATOM 0 H TYR A 98 -11.815 -9.964 4.848 1.00 12.32 H new ATOM 0 HA TYR A 98 -10.336 -8.271 6.778 1.00 30.45 H new ATOM 0 HB2 TYR A 98 -10.436 -8.242 3.752 1.00 14.12 H new ATOM 0 HB3 TYR A 98 -10.075 -6.781 4.650 1.00 14.12 H new ATOM 0 HD1 TYR A 98 -8.401 -7.811 6.872 1.00 13.13 H new ATOM 0 HD2 TYR A 98 -8.408 -8.869 2.745 1.00 74.33 H new ATOM 0 HE1 TYR A 98 -6.050 -8.496 7.046 1.00 53.11 H new ATOM 0 HE2 TYR A 98 -6.058 -9.557 2.914 1.00 4.04 H new ATOM 0 HH TYR A 98 -4.124 -8.851 5.702 1.00 22.44 H new ATOM 1605 N ALA A 99 -11.988 -6.266 6.370 1.00 20.31 N ATOM 1606 CA ALA A 99 -13.112 -5.350 6.511 1.00 51.23 C ATOM 1607 C ALA A 99 -13.013 -4.202 5.512 1.00 34.03 C ATOM 1608 O ALA A 99 -12.256 -3.253 5.716 1.00 53.33 O ATOM 1609 CB ALA A 99 -13.178 -4.810 7.933 1.00 65.23 C ATOM 0 H ALA A 99 -11.083 -5.865 6.617 1.00 20.31 H new ATOM 0 HA ALA A 99 -14.028 -5.903 6.301 1.00 51.23 H new ATOM 0 HB1 ALA A 99 -14.023 -4.127 8.024 1.00 65.23 H new ATOM 0 HB2 ALA A 99 -13.304 -5.638 8.631 1.00 65.23 H new ATOM 0 HB3 ALA A 99 -12.255 -4.278 8.163 1.00 65.23 H new ATOM 1615 N ASP A 100 -13.781 -4.296 4.432 1.00 34.24 N ATOM 1616 CA ASP A 100 -13.780 -3.266 3.400 1.00 14.41 C ATOM 1617 C ASP A 100 -14.378 -1.966 3.930 1.00 42.20 C ATOM 1618 O ASP A 100 -15.432 -1.970 4.568 1.00 60.21 O ATOM 1619 CB ASP A 100 -14.563 -3.740 2.175 1.00 15.54 C ATOM 1620 CG ASP A 100 -14.561 -2.717 1.056 1.00 65.51 C ATOM 1621 OD1 ASP A 100 -15.279 -1.702 1.176 1.00 24.52 O ATOM 1622 OD2 ASP A 100 -13.839 -2.932 0.059 1.00 3.41 O ATOM 0 H ASP A 100 -14.413 -5.076 4.249 1.00 34.24 H new ATOM 0 HA ASP A 100 -12.746 -3.078 3.110 1.00 14.41 H new ATOM 0 HB2 ASP A 100 -14.133 -4.673 1.811 1.00 15.54 H new ATOM 0 HB3 ASP A 100 -15.591 -3.955 2.465 1.00 15.54 H new ATOM 1627 N ARG A 101 -13.698 -0.856 3.664 1.00 71.11 N ATOM 1628 CA ARG A 101 -14.161 0.451 4.115 1.00 14.13 C ATOM 1629 C ARG A 101 -13.720 1.547 3.150 1.00 14.40 C ATOM 1630 O ARG A 101 -12.556 1.944 3.112 1.00 42.32 O ATOM 1631 CB ARG A 101 -13.629 0.747 5.518 1.00 64.02 C ATOM 1632 CG ARG A 101 -14.550 1.628 6.346 1.00 25.14 C ATOM 1633 CD ARG A 101 -15.763 0.856 6.840 1.00 21.23 C ATOM 1634 NE ARG A 101 -16.748 1.729 7.472 1.00 54.12 N ATOM 1635 CZ ARG A 101 -17.719 1.291 8.264 1.00 2.15 C ATOM 1636 NH1 ARG A 101 -17.834 -0.006 8.522 1.00 53.43 N ATOM 1637 NH2 ARG A 101 -18.577 2.148 8.802 1.00 73.20 N ATOM 0 H ARG A 101 -12.824 -0.835 3.138 1.00 71.11 H new ATOM 0 HA ARG A 101 -15.250 0.433 4.143 1.00 14.13 H new ATOM 0 HB2 ARG A 101 -13.472 -0.195 6.044 1.00 64.02 H new ATOM 0 HB3 ARG A 101 -12.656 1.231 5.434 1.00 64.02 H new ATOM 0 HG2 ARG A 101 -14.002 2.030 7.198 1.00 25.14 H new ATOM 0 HG3 ARG A 101 -14.877 2.478 5.747 1.00 25.14 H new ATOM 0 HD2 ARG A 101 -16.226 0.334 6.003 1.00 21.23 H new ATOM 0 HD3 ARG A 101 -15.443 0.095 7.552 1.00 21.23 H new ATOM 0 HE ARG A 101 -16.687 2.732 7.295 1.00 54.12 H new ATOM 0 HH11 ARG A 101 -17.176 -0.668 8.111 1.00 53.43 H new ATOM 0 HH12 ARG A 101 -18.581 -0.341 9.131 1.00 53.43 H new ATOM 0 HH21 ARG A 101 -18.491 3.146 8.607 1.00 73.20 H new ATOM 0 HH22 ARG A 101 -19.322 1.809 9.410 1.00 73.20 H new ATOM 1651 N PRO A 102 -14.673 2.050 2.350 1.00 1.10 N ATOM 1652 CA PRO A 102 -14.408 3.107 1.370 1.00 3.30 C ATOM 1653 C PRO A 102 -14.117 4.450 2.031 1.00 1.42 C ATOM 1654 O PRO A 102 -14.587 4.725 3.134 1.00 3.40 O ATOM 1655 CB PRO A 102 -15.707 3.179 0.564 1.00 23.54 C ATOM 1656 CG PRO A 102 -16.756 2.666 1.490 1.00 63.44 C ATOM 1657 CD PRO A 102 -16.083 1.624 2.341 1.00 15.32 C ATOM 0 HA PRO A 102 -13.527 2.890 0.766 1.00 3.30 H new ATOM 0 HB2 PRO A 102 -15.922 4.200 0.249 1.00 23.54 H new ATOM 0 HB3 PRO A 102 -15.646 2.573 -0.340 1.00 23.54 H new ATOM 0 HG2 PRO A 102 -17.161 3.470 2.105 1.00 63.44 H new ATOM 0 HG3 PRO A 102 -17.591 2.237 0.935 1.00 63.44 H new ATOM 0 HD2 PRO A 102 -16.501 1.596 3.347 1.00 15.32 H new ATOM 0 HD3 PRO A 102 -16.198 0.625 1.920 1.00 15.32 H new ATOM 1665 N GLY A 103 -13.338 5.284 1.348 1.00 15.52 N ATOM 1666 CA GLY A 103 -12.999 6.589 1.885 1.00 14.31 C ATOM 1667 C GLY A 103 -12.045 7.355 0.990 1.00 63.14 C ATOM 1668 O GLY A 103 -11.255 6.756 0.258 1.00 53.12 O ATOM 0 H GLY A 103 -12.936 5.079 0.433 1.00 15.52 H new ATOM 0 HA2 GLY A 103 -13.911 7.171 2.021 1.00 14.31 H new ATOM 0 HA3 GLY A 103 -12.549 6.467 2.870 1.00 14.31 H new ATOM 1672 N ARG A 104 -12.118 8.680 1.044 1.00 14.24 N ATOM 1673 CA ARG A 104 -11.256 9.528 0.230 1.00 31.52 C ATOM 1674 C ARG A 104 -10.309 10.342 1.106 1.00 42.10 C ATOM 1675 O ARG A 104 -10.726 11.281 1.784 1.00 35.24 O ATOM 1676 CB ARG A 104 -12.099 10.466 -0.637 1.00 13.31 C ATOM 1677 CG ARG A 104 -11.388 10.936 -1.895 1.00 21.43 C ATOM 1678 CD ARG A 104 -12.101 12.120 -2.529 1.00 20.24 C ATOM 1679 NE ARG A 104 -13.241 11.701 -3.342 1.00 45.14 N ATOM 1680 CZ ARG A 104 -14.005 12.546 -4.025 1.00 23.00 C ATOM 1681 NH1 ARG A 104 -13.753 13.848 -3.993 1.00 64.34 N ATOM 1682 NH2 ARG A 104 -15.023 12.089 -4.742 1.00 53.40 N ATOM 0 H ARG A 104 -12.766 9.190 1.644 1.00 14.24 H new ATOM 0 HA ARG A 104 -10.661 8.883 -0.416 1.00 31.52 H new ATOM 0 HB2 ARG A 104 -13.020 9.956 -0.919 1.00 13.31 H new ATOM 0 HB3 ARG A 104 -12.385 11.335 -0.045 1.00 13.31 H new ATOM 0 HG2 ARG A 104 -10.363 11.215 -1.652 1.00 21.43 H new ATOM 0 HG3 ARG A 104 -11.334 10.116 -2.611 1.00 21.43 H new ATOM 0 HD2 ARG A 104 -12.443 12.798 -1.747 1.00 20.24 H new ATOM 0 HD3 ARG A 104 -11.398 12.677 -3.149 1.00 20.24 H new ATOM 0 HE ARG A 104 -13.462 10.706 -3.387 1.00 45.14 H new ATOM 0 HH11 ARG A 104 -12.971 14.203 -3.443 1.00 64.34 H new ATOM 0 HH12 ARG A 104 -14.341 14.494 -4.519 1.00 64.34 H new ATOM 0 HH21 ARG A 104 -15.219 11.088 -4.769 1.00 53.40 H new ATOM 0 HH22 ARG A 104 -15.610 12.738 -5.266 1.00 53.40 H new ATOM 1696 N ARG A 105 -9.032 9.975 1.087 1.00 51.42 N ATOM 1697 CA ARG A 105 -8.025 10.670 1.881 1.00 63.40 C ATOM 1698 C ARG A 105 -6.631 10.454 1.301 1.00 64.44 C ATOM 1699 O ARG A 105 -6.471 9.804 0.267 1.00 51.42 O ATOM 1700 CB ARG A 105 -8.066 10.186 3.332 1.00 24.41 C ATOM 1701 CG ARG A 105 -8.942 11.038 4.234 1.00 73.20 C ATOM 1702 CD ARG A 105 -8.364 12.433 4.417 1.00 72.20 C ATOM 1703 NE ARG A 105 -9.407 13.434 4.630 1.00 25.32 N ATOM 1704 CZ ARG A 105 -9.155 14.712 4.890 1.00 33.42 C ATOM 1705 NH1 ARG A 105 -7.904 15.142 4.967 1.00 50.53 N ATOM 1706 NH2 ARG A 105 -10.157 15.563 5.072 1.00 70.31 N ATOM 0 H ARG A 105 -8.670 9.201 0.531 1.00 51.42 H new ATOM 0 HA ARG A 105 -8.250 11.736 1.854 1.00 63.40 H new ATOM 0 HB2 ARG A 105 -8.429 9.158 3.353 1.00 24.41 H new ATOM 0 HB3 ARG A 105 -7.052 10.174 3.731 1.00 24.41 H new ATOM 0 HG2 ARG A 105 -9.943 11.111 3.808 1.00 73.20 H new ATOM 0 HG3 ARG A 105 -9.044 10.555 5.206 1.00 73.20 H new ATOM 0 HD2 ARG A 105 -7.682 12.434 5.267 1.00 72.20 H new ATOM 0 HD3 ARG A 105 -7.778 12.701 3.538 1.00 72.20 H new ATOM 0 HE ARG A 105 -10.381 13.135 4.576 1.00 25.32 H new ATOM 0 HH11 ARG A 105 -7.131 14.491 4.826 1.00 50.53 H new ATOM 0 HH12 ARG A 105 -7.714 16.124 5.167 1.00 50.53 H new ATOM 0 HH21 ARG A 105 -11.121 15.236 5.012 1.00 70.31 H new ATOM 0 HH22 ARG A 105 -9.963 16.544 5.272 1.00 70.31 H new ATOM 1720 N PHE A 106 -5.624 11.005 1.972 1.00 62.30 N ATOM 1721 CA PHE A 106 -4.244 10.874 1.522 1.00 24.01 C ATOM 1722 C PHE A 106 -3.651 9.538 1.964 1.00 53.41 C ATOM 1723 O PHE A 106 -4.289 8.772 2.685 1.00 14.33 O ATOM 1724 CB PHE A 106 -3.396 12.025 2.066 1.00 15.34 C ATOM 1725 CG PHE A 106 -4.073 13.364 1.973 1.00 64.33 C ATOM 1726 CD1 PHE A 106 -4.080 14.069 0.781 1.00 35.50 C ATOM 1727 CD2 PHE A 106 -4.700 13.916 3.077 1.00 10.35 C ATOM 1728 CE1 PHE A 106 -4.702 15.300 0.691 1.00 34.13 C ATOM 1729 CE2 PHE A 106 -5.323 15.147 2.995 1.00 73.52 C ATOM 1730 CZ PHE A 106 -5.324 15.840 1.800 1.00 4.01 C ATOM 0 H PHE A 106 -5.739 11.546 2.829 1.00 62.30 H new ATOM 0 HA PHE A 106 -4.239 10.911 0.433 1.00 24.01 H new ATOM 0 HB2 PHE A 106 -3.149 11.823 3.108 1.00 15.34 H new ATOM 0 HB3 PHE A 106 -2.455 12.064 1.517 1.00 15.34 H new ATOM 0 HD1 PHE A 106 -3.594 13.652 -0.088 1.00 35.50 H new ATOM 0 HD2 PHE A 106 -4.702 13.378 4.014 1.00 10.35 H new ATOM 0 HE1 PHE A 106 -4.702 15.839 -0.245 1.00 34.13 H new ATOM 0 HE2 PHE A 106 -5.808 15.566 3.864 1.00 73.52 H new ATOM 0 HZ PHE A 106 -5.810 16.802 1.733 1.00 4.01 H new ATOM 1740 N TYR A 107 -2.427 9.267 1.525 1.00 13.43 N ATOM 1741 CA TYR A 107 -1.749 8.024 1.872 1.00 13.41 C ATOM 1742 C TYR A 107 -0.272 8.272 2.164 1.00 61.10 C ATOM 1743 O TYR A 107 0.364 9.116 1.532 1.00 4.11 O ATOM 1744 CB TYR A 107 -1.893 7.007 0.739 1.00 31.11 C ATOM 1745 CG TYR A 107 -1.738 7.609 -0.639 1.00 34.13 C ATOM 1746 CD1 TYR A 107 -2.818 8.193 -1.289 1.00 32.22 C ATOM 1747 CD2 TYR A 107 -0.511 7.595 -1.291 1.00 52.52 C ATOM 1748 CE1 TYR A 107 -2.681 8.744 -2.548 1.00 62.02 C ATOM 1749 CE2 TYR A 107 -0.364 8.144 -2.550 1.00 54.31 C ATOM 1750 CZ TYR A 107 -1.452 8.717 -3.175 1.00 13.01 C ATOM 1751 OH TYR A 107 -1.311 9.266 -4.428 1.00 74.01 O ATOM 0 H TYR A 107 -1.884 9.891 0.928 1.00 13.43 H new ATOM 0 HA TYR A 107 -2.216 7.624 2.772 1.00 13.41 H new ATOM 0 HB2 TYR A 107 -1.148 6.223 0.869 1.00 31.11 H new ATOM 0 HB3 TYR A 107 -2.871 6.532 0.811 1.00 31.11 H new ATOM 0 HD1 TYR A 107 -3.781 8.217 -0.801 1.00 32.22 H new ATOM 0 HD2 TYR A 107 0.343 7.147 -0.805 1.00 52.52 H new ATOM 0 HE1 TYR A 107 -3.531 9.194 -3.039 1.00 62.02 H new ATOM 0 HE2 TYR A 107 0.597 8.125 -3.042 1.00 54.31 H new ATOM 0 HH TYR A 107 -0.383 9.165 -4.727 1.00 74.01 H new ATOM 1761 N VAL A 108 0.268 7.530 3.125 1.00 31.35 N ATOM 1762 CA VAL A 108 1.670 7.667 3.501 1.00 22.53 C ATOM 1763 C VAL A 108 2.501 6.516 2.946 1.00 2.21 C ATOM 1764 O VAL A 108 2.403 5.381 3.414 1.00 51.43 O ATOM 1765 CB VAL A 108 1.839 7.717 5.031 1.00 30.10 C ATOM 1766 CG1 VAL A 108 3.311 7.801 5.403 1.00 34.12 C ATOM 1767 CG2 VAL A 108 1.064 8.888 5.615 1.00 52.34 C ATOM 0 H VAL A 108 -0.244 6.827 3.658 1.00 31.35 H new ATOM 0 HA VAL A 108 2.023 8.606 3.074 1.00 22.53 H new ATOM 0 HB VAL A 108 1.435 6.798 5.454 1.00 30.10 H new ATOM 0 HG11 VAL A 108 3.411 7.835 6.488 1.00 34.12 H new ATOM 0 HG12 VAL A 108 3.834 6.926 5.018 1.00 34.12 H new ATOM 0 HG13 VAL A 108 3.745 8.702 4.970 1.00 34.12 H new ATOM 0 HG21 VAL A 108 1.195 8.908 6.697 1.00 52.34 H new ATOM 0 HG22 VAL A 108 1.435 9.819 5.188 1.00 52.34 H new ATOM 0 HG23 VAL A 108 0.005 8.777 5.380 1.00 52.34 H new ATOM 1777 N VAL A 109 3.322 6.816 1.944 1.00 42.31 N ATOM 1778 CA VAL A 109 4.174 5.807 1.325 1.00 10.44 C ATOM 1779 C VAL A 109 5.645 6.196 1.423 1.00 61.15 C ATOM 1780 O VAL A 109 6.016 7.337 1.149 1.00 1.00 O ATOM 1781 CB VAL A 109 3.807 5.595 -0.155 1.00 24.31 C ATOM 1782 CG1 VAL A 109 2.332 5.881 -0.386 1.00 34.22 C ATOM 1783 CG2 VAL A 109 4.675 6.467 -1.049 1.00 54.13 C ATOM 0 H VAL A 109 3.415 7.750 1.544 1.00 42.31 H new ATOM 0 HA VAL A 109 4.010 4.876 1.869 1.00 10.44 H new ATOM 0 HB VAL A 109 3.994 4.552 -0.412 1.00 24.31 H new ATOM 0 HG11 VAL A 109 2.092 5.726 -1.438 1.00 34.22 H new ATOM 0 HG12 VAL A 109 1.731 5.209 0.227 1.00 34.22 H new ATOM 0 HG13 VAL A 109 2.114 6.914 -0.113 1.00 34.22 H new ATOM 0 HG21 VAL A 109 4.402 6.304 -2.092 1.00 54.13 H new ATOM 0 HG22 VAL A 109 4.523 7.516 -0.793 1.00 54.13 H new ATOM 0 HG23 VAL A 109 5.723 6.207 -0.904 1.00 54.13 H new ATOM 1793 N ALA A 110 6.480 5.238 1.813 1.00 74.04 N ATOM 1794 CA ALA A 110 7.911 5.479 1.943 1.00 2.10 C ATOM 1795 C ALA A 110 8.649 5.107 0.661 1.00 4.43 C ATOM 1796 O ALA A 110 8.742 3.932 0.304 1.00 53.20 O ATOM 1797 CB ALA A 110 8.472 4.699 3.122 1.00 23.15 C ATOM 0 H ALA A 110 6.189 4.288 2.044 1.00 74.04 H new ATOM 0 HA ALA A 110 8.061 6.544 2.121 1.00 2.10 H new ATOM 0 HB1 ALA A 110 9.542 4.888 3.207 1.00 23.15 H new ATOM 0 HB2 ALA A 110 7.973 5.015 4.038 1.00 23.15 H new ATOM 0 HB3 ALA A 110 8.303 3.633 2.967 1.00 23.15 H new ATOM 1803 N CYS A 111 9.173 6.115 -0.027 1.00 41.33 N ATOM 1804 CA CYS A 111 9.903 5.896 -1.270 1.00 61.15 C ATOM 1805 C CYS A 111 11.392 5.703 -1.000 1.00 51.23 C ATOM 1806 O CYS A 111 11.979 6.401 -0.173 1.00 51.11 O ATOM 1807 CB CYS A 111 9.694 7.074 -2.224 1.00 4.32 C ATOM 1808 SG CYS A 111 8.264 6.887 -3.336 1.00 23.31 S ATOM 0 H CYS A 111 9.106 7.093 0.255 1.00 41.33 H new ATOM 0 HA CYS A 111 9.516 4.989 -1.734 1.00 61.15 H new ATOM 0 HB2 CYS A 111 9.568 7.984 -1.638 1.00 4.32 H new ATOM 0 HB3 CYS A 111 10.594 7.204 -2.826 1.00 4.32 H new ATOM 1813 N ASP A 112 11.997 4.753 -1.704 1.00 62.32 N ATOM 1814 CA ASP A 112 13.419 4.468 -1.541 1.00 74.41 C ATOM 1815 C ASP A 112 14.030 3.989 -2.855 1.00 0.12 C ATOM 1816 O ASP A 112 13.316 3.706 -3.816 1.00 61.44 O ATOM 1817 CB ASP A 112 13.629 3.415 -0.453 1.00 13.54 C ATOM 1818 CG ASP A 112 14.958 3.575 0.259 1.00 55.22 C ATOM 1819 OD1 ASP A 112 15.470 4.714 0.310 1.00 71.32 O ATOM 1820 OD2 ASP A 112 15.487 2.563 0.764 1.00 53.02 O ATOM 0 H ASP A 112 11.526 4.167 -2.393 1.00 62.32 H new ATOM 0 HA ASP A 112 13.918 5.390 -1.243 1.00 74.41 H new ATOM 0 HB2 ASP A 112 12.820 3.482 0.274 1.00 13.54 H new ATOM 0 HB3 ASP A 112 13.576 2.421 -0.898 1.00 13.54 H new ATOM 1825 N ASN A 113 15.356 3.903 -2.887 1.00 32.35 N ATOM 1826 CA ASN A 113 16.063 3.460 -4.083 1.00 24.35 C ATOM 1827 C ASN A 113 15.540 2.106 -4.555 1.00 52.23 C ATOM 1828 O ASN A 113 15.402 1.172 -3.765 1.00 40.14 O ATOM 1829 CB ASN A 113 17.566 3.369 -3.807 1.00 50.00 C ATOM 1830 CG ASN A 113 18.396 3.552 -5.063 1.00 32.42 C ATOM 1831 OD1 ASN A 113 17.967 4.203 -6.015 1.00 51.54 O ATOM 1832 ND2 ASN A 113 19.591 2.974 -5.071 1.00 5.43 N ATOM 0 H ASN A 113 15.962 4.134 -2.100 1.00 32.35 H new ATOM 0 HA ASN A 113 15.887 4.193 -4.871 1.00 24.35 H new ATOM 0 HB2 ASN A 113 17.845 4.128 -3.076 1.00 50.00 H new ATOM 0 HB3 ASN A 113 17.793 2.400 -3.363 1.00 50.00 H new ATOM 0 HD21 ASN A 113 20.194 3.061 -5.889 1.00 5.43 H new ATOM 0 HD22 ASN A 113 19.906 2.443 -4.259 1.00 5.43 H new ATOM 1839 N ARG A 114 15.250 2.009 -5.848 1.00 52.13 N ATOM 1840 CA ARG A 114 14.741 0.771 -6.426 1.00 62.13 C ATOM 1841 C ARG A 114 15.682 0.248 -7.508 1.00 40.42 C ATOM 1842 O ARG A 114 16.686 0.884 -7.831 1.00 63.13 O ATOM 1843 CB ARG A 114 13.346 0.993 -7.013 1.00 21.13 C ATOM 1844 CG ARG A 114 13.280 2.138 -8.010 1.00 73.34 C ATOM 1845 CD ARG A 114 13.508 1.651 -9.433 1.00 73.43 C ATOM 1846 NE ARG A 114 13.945 2.729 -10.317 1.00 31.43 N ATOM 1847 CZ ARG A 114 15.219 3.057 -10.501 1.00 12.13 C ATOM 1848 NH1 ARG A 114 16.176 2.394 -9.866 1.00 3.42 N ATOM 1849 NH2 ARG A 114 15.538 4.050 -11.320 1.00 60.35 N ATOM 0 H ARG A 114 15.359 2.773 -6.515 1.00 52.13 H new ATOM 0 HA ARG A 114 14.680 0.027 -5.631 1.00 62.13 H new ATOM 0 HB2 ARG A 114 13.017 0.076 -7.503 1.00 21.13 H new ATOM 0 HB3 ARG A 114 12.646 1.189 -6.201 1.00 21.13 H new ATOM 0 HG2 ARG A 114 12.307 2.625 -7.942 1.00 73.34 H new ATOM 0 HG3 ARG A 114 14.030 2.887 -7.756 1.00 73.34 H new ATOM 0 HD2 ARG A 114 14.257 0.859 -9.429 1.00 73.43 H new ATOM 0 HD3 ARG A 114 12.586 1.216 -9.820 1.00 73.43 H new ATOM 0 HE ARG A 114 13.233 3.259 -10.820 1.00 31.43 H new ATOM 0 HH11 ARG A 114 15.935 1.630 -9.235 1.00 3.42 H new ATOM 0 HH12 ARG A 114 17.153 2.648 -10.009 1.00 3.42 H new ATOM 0 HH21 ARG A 114 14.805 4.563 -11.810 1.00 60.35 H new ATOM 0 HH22 ARG A 114 16.517 4.301 -11.460 1.00 60.35 H new ATOM 1863 N ASP A 115 15.351 -0.912 -8.062 1.00 3.33 N ATOM 1864 CA ASP A 115 16.166 -1.520 -9.108 1.00 1.15 C ATOM 1865 C ASP A 115 15.865 -0.893 -10.465 1.00 63.41 C ATOM 1866 O ASP A 115 14.710 -0.731 -10.858 1.00 53.34 O ATOM 1867 CB ASP A 115 15.921 -3.029 -9.162 1.00 74.23 C ATOM 1868 CG ASP A 115 16.899 -3.806 -8.304 1.00 63.24 C ATOM 1869 OD1 ASP A 115 18.046 -3.339 -8.140 1.00 24.23 O ATOM 1870 OD2 ASP A 115 16.518 -4.882 -7.797 1.00 65.34 O ATOM 0 H ASP A 115 14.524 -1.451 -7.805 1.00 3.33 H new ATOM 0 HA ASP A 115 17.214 -1.339 -8.870 1.00 1.15 H new ATOM 0 HB2 ASP A 115 14.904 -3.241 -8.831 1.00 74.23 H new ATOM 0 HB3 ASP A 115 15.998 -3.370 -10.195 1.00 74.23 H new ATOM 1875 N PRO A 116 16.927 -0.531 -11.199 1.00 63.32 N ATOM 1876 CA PRO A 116 16.803 0.084 -12.524 1.00 35.32 C ATOM 1877 C PRO A 116 16.288 -0.897 -13.572 1.00 23.31 C ATOM 1878 O PRO A 116 16.183 -0.560 -14.752 1.00 34.44 O ATOM 1879 CB PRO A 116 18.234 0.515 -12.852 1.00 31.01 C ATOM 1880 CG PRO A 116 19.097 -0.401 -12.054 1.00 43.15 C ATOM 1881 CD PRO A 116 18.333 -0.696 -10.793 1.00 3.00 C ATOM 0 HA PRO A 116 16.086 0.905 -12.526 1.00 35.32 H new ATOM 0 HB2 PRO A 116 18.440 0.424 -13.918 1.00 31.01 H new ATOM 0 HB3 PRO A 116 18.406 1.557 -12.581 1.00 31.01 H new ATOM 0 HG2 PRO A 116 19.308 -1.317 -12.606 1.00 43.15 H new ATOM 0 HG3 PRO A 116 20.057 0.064 -11.829 1.00 43.15 H new ATOM 0 HD2 PRO A 116 18.531 -1.705 -10.430 1.00 3.00 H new ATOM 0 HD3 PRO A 116 18.603 -0.010 -9.990 1.00 3.00 H new ATOM 1889 N ARG A 117 15.970 -2.112 -13.135 1.00 14.52 N ATOM 1890 CA ARG A 117 15.468 -3.142 -14.036 1.00 53.55 C ATOM 1891 C ARG A 117 13.946 -3.234 -13.961 1.00 23.12 C ATOM 1892 O ARG A 117 13.323 -3.989 -14.708 1.00 5.42 O ATOM 1893 CB ARG A 117 16.091 -4.496 -13.695 1.00 32.13 C ATOM 1894 CG ARG A 117 15.528 -5.122 -12.430 1.00 4.13 C ATOM 1895 CD ARG A 117 15.563 -6.641 -12.497 1.00 1.03 C ATOM 1896 NE ARG A 117 15.372 -7.252 -11.185 1.00 4.45 N ATOM 1897 CZ ARG A 117 15.324 -8.565 -10.985 1.00 55.11 C ATOM 1898 NH1 ARG A 117 15.450 -9.399 -12.007 1.00 54.11 N ATOM 1899 NH2 ARG A 117 15.148 -9.045 -9.761 1.00 15.04 N ATOM 0 H ARG A 117 16.051 -2.407 -12.162 1.00 14.52 H new ATOM 0 HA ARG A 117 15.748 -2.869 -15.053 1.00 53.55 H new ATOM 0 HB2 ARG A 117 15.934 -5.179 -14.530 1.00 32.13 H new ATOM 0 HB3 ARG A 117 17.168 -4.373 -13.582 1.00 32.13 H new ATOM 0 HG2 ARG A 117 16.101 -4.781 -11.568 1.00 4.13 H new ATOM 0 HG3 ARG A 117 14.501 -4.787 -12.283 1.00 4.13 H new ATOM 0 HD2 ARG A 117 14.786 -6.992 -13.177 1.00 1.03 H new ATOM 0 HD3 ARG A 117 16.518 -6.963 -12.911 1.00 1.03 H new ATOM 0 HE ARG A 117 15.270 -6.637 -10.377 1.00 4.45 H new ATOM 0 HH11 ARG A 117 15.584 -9.034 -12.950 1.00 54.11 H new ATOM 0 HH12 ARG A 117 15.413 -10.406 -11.851 1.00 54.11 H new ATOM 0 HH21 ARG A 117 15.049 -8.406 -8.972 1.00 15.04 H new ATOM 0 HH22 ARG A 117 15.111 -10.053 -9.609 1.00 15.04 H new ATOM 1913 N ASP A 118 13.356 -2.464 -13.055 1.00 31.10 N ATOM 1914 CA ASP A 118 11.908 -2.460 -12.882 1.00 12.43 C ATOM 1915 C ASP A 118 11.322 -1.098 -13.245 1.00 21.44 C ATOM 1916 O ASP A 118 10.342 -1.011 -13.984 1.00 74.11 O ATOM 1917 CB ASP A 118 11.544 -2.817 -11.440 1.00 34.55 C ATOM 1918 CG ASP A 118 11.351 -4.309 -11.244 1.00 51.24 C ATOM 1919 OD1 ASP A 118 12.364 -5.037 -11.204 1.00 74.33 O ATOM 1920 OD2 ASP A 118 10.186 -4.747 -11.134 1.00 2.41 O ATOM 0 H ASP A 118 13.857 -1.834 -12.429 1.00 31.10 H new ATOM 0 HA ASP A 118 11.484 -3.209 -13.551 1.00 12.43 H new ATOM 0 HB2 ASP A 118 12.330 -2.464 -10.772 1.00 34.55 H new ATOM 0 HB3 ASP A 118 10.629 -2.295 -11.159 1.00 34.55 H new ATOM 1925 N SER A 119 11.928 -0.039 -12.718 1.00 20.31 N ATOM 1926 CA SER A 119 11.462 1.317 -12.983 1.00 5.34 C ATOM 1927 C SER A 119 12.611 2.202 -13.461 1.00 34.04 C ATOM 1928 O SER A 119 13.329 2.813 -12.668 1.00 31.43 O ATOM 1929 CB SER A 119 10.831 1.917 -11.725 1.00 62.31 C ATOM 1930 OG SER A 119 9.860 2.893 -12.058 1.00 31.31 O ATOM 0 H SER A 119 12.742 -0.094 -12.106 1.00 20.31 H new ATOM 0 HA SER A 119 10.710 1.269 -13.771 1.00 5.34 H new ATOM 0 HB2 SER A 119 10.369 1.127 -11.134 1.00 62.31 H new ATOM 0 HB3 SER A 119 11.606 2.367 -11.105 1.00 62.31 H new ATOM 0 HG SER A 119 9.229 2.993 -11.315 1.00 31.31 H new ATOM 1936 N PRO A 120 12.790 2.272 -14.788 1.00 12.53 N ATOM 1937 CA PRO A 120 13.849 3.079 -15.403 1.00 34.15 C ATOM 1938 C PRO A 120 13.594 4.576 -15.258 1.00 64.44 C ATOM 1939 O PRO A 120 14.467 5.324 -14.820 1.00 43.11 O ATOM 1940 CB PRO A 120 13.798 2.667 -16.876 1.00 2.54 C ATOM 1941 CG PRO A 120 12.401 2.195 -17.090 1.00 22.30 C ATOM 1942 CD PRO A 120 11.971 1.570 -15.791 1.00 62.24 C ATOM 0 HA PRO A 120 14.817 2.909 -14.933 1.00 34.15 H new ATOM 0 HB2 PRO A 120 14.037 3.506 -17.530 1.00 2.54 H new ATOM 0 HB3 PRO A 120 14.519 1.879 -17.092 1.00 2.54 H new ATOM 0 HG2 PRO A 120 11.746 3.024 -17.360 1.00 22.30 H new ATOM 0 HG3 PRO A 120 12.354 1.473 -17.905 1.00 22.30 H new ATOM 0 HD2 PRO A 120 10.905 1.711 -15.610 1.00 62.24 H new ATOM 0 HD3 PRO A 120 12.156 0.496 -15.781 1.00 62.24 H new ATOM 1950 N ARG A 121 12.393 5.005 -15.630 1.00 31.02 N ATOM 1951 CA ARG A 121 12.024 6.413 -15.543 1.00 42.04 C ATOM 1952 C ARG A 121 12.008 6.882 -14.091 1.00 41.42 C ATOM 1953 O ARG A 121 12.724 7.813 -13.721 1.00 2.23 O ATOM 1954 CB ARG A 121 10.652 6.644 -16.179 1.00 30.02 C ATOM 1955 CG ARG A 121 9.566 5.730 -15.633 1.00 53.53 C ATOM 1956 CD ARG A 121 8.504 5.438 -16.682 1.00 44.11 C ATOM 1957 NE ARG A 121 7.867 4.142 -16.468 1.00 20.30 N ATOM 1958 CZ ARG A 121 8.357 2.997 -16.928 1.00 2.05 C ATOM 1959 NH1 ARG A 121 9.486 2.986 -17.623 1.00 2.33 N ATOM 1960 NH2 ARG A 121 7.719 1.857 -16.691 1.00 42.34 N ATOM 0 H ARG A 121 11.659 4.398 -15.995 1.00 31.02 H new ATOM 0 HA ARG A 121 12.771 6.992 -16.086 1.00 42.04 H new ATOM 0 HB2 ARG A 121 10.357 7.681 -16.019 1.00 30.02 H new ATOM 0 HB3 ARG A 121 10.731 6.497 -17.256 1.00 30.02 H new ATOM 0 HG2 ARG A 121 10.012 4.795 -15.295 1.00 53.53 H new ATOM 0 HG3 ARG A 121 9.102 6.194 -14.763 1.00 53.53 H new ATOM 0 HD2 ARG A 121 7.747 6.222 -16.660 1.00 44.11 H new ATOM 0 HD3 ARG A 121 8.957 5.460 -17.673 1.00 44.11 H new ATOM 0 HE ARG A 121 6.997 4.115 -15.936 1.00 20.30 H new ATOM 0 HH11 ARG A 121 9.981 3.859 -17.806 1.00 2.33 H new ATOM 0 HH12 ARG A 121 9.860 2.105 -17.975 1.00 2.33 H new ATOM 0 HH21 ARG A 121 6.851 1.860 -16.155 1.00 42.34 H new ATOM 0 HH22 ARG A 121 8.097 0.978 -17.045 1.00 42.34 H new ATOM 1974 N TYR A 122 11.188 6.232 -13.274 1.00 35.31 N ATOM 1975 CA TYR A 122 11.077 6.584 -11.863 1.00 54.14 C ATOM 1976 C TYR A 122 12.270 6.055 -11.074 1.00 74.01 C ATOM 1977 O TYR A 122 12.490 4.849 -10.967 1.00 0.44 O ATOM 1978 CB TYR A 122 9.777 6.028 -11.278 1.00 54.12 C ATOM 1979 CG TYR A 122 8.557 6.327 -12.120 1.00 41.52 C ATOM 1980 CD1 TYR A 122 7.981 7.592 -12.118 1.00 12.31 C ATOM 1981 CD2 TYR A 122 7.982 5.347 -12.917 1.00 75.43 C ATOM 1982 CE1 TYR A 122 6.865 7.869 -12.885 1.00 45.42 C ATOM 1983 CE2 TYR A 122 6.868 5.615 -13.689 1.00 21.11 C ATOM 1984 CZ TYR A 122 6.313 6.878 -13.669 1.00 72.12 C ATOM 1985 OH TYR A 122 5.203 7.151 -14.435 1.00 60.12 O ATOM 0 H TYR A 122 10.590 5.458 -13.564 1.00 35.31 H new ATOM 0 HA TYR A 122 11.067 7.671 -11.786 1.00 54.14 H new ATOM 0 HB2 TYR A 122 9.873 4.948 -11.163 1.00 54.12 H new ATOM 0 HB3 TYR A 122 9.630 6.443 -10.281 1.00 54.12 H new ATOM 0 HD1 TYR A 122 8.412 8.371 -11.507 1.00 12.31 H new ATOM 0 HD2 TYR A 122 8.413 4.357 -12.934 1.00 75.43 H new ATOM 0 HE1 TYR A 122 6.428 8.856 -12.870 1.00 45.42 H new ATOM 0 HE2 TYR A 122 6.434 4.841 -14.304 1.00 21.11 H new ATOM 0 HH TYR A 122 4.940 6.346 -14.929 1.00 60.12 H new ATOM 1995 N PRO A 123 13.059 6.979 -10.507 1.00 41.33 N ATOM 1996 CA PRO A 123 14.243 6.632 -9.716 1.00 22.12 C ATOM 1997 C PRO A 123 13.882 5.983 -8.384 1.00 74.43 C ATOM 1998 O PRO A 123 14.494 4.997 -7.975 1.00 61.22 O ATOM 1999 CB PRO A 123 14.926 7.983 -9.484 1.00 75.52 C ATOM 2000 CG PRO A 123 13.826 8.983 -9.583 1.00 61.01 C ATOM 2001 CD PRO A 123 12.857 8.435 -10.594 1.00 73.03 C ATOM 0 HA PRO A 123 14.872 5.903 -10.226 1.00 22.12 H new ATOM 0 HB2 PRO A 123 15.409 8.020 -8.508 1.00 75.52 H new ATOM 0 HB3 PRO A 123 15.699 8.169 -10.229 1.00 75.52 H new ATOM 0 HG2 PRO A 123 13.342 9.127 -8.617 1.00 61.01 H new ATOM 0 HG3 PRO A 123 14.209 9.954 -9.896 1.00 61.01 H new ATOM 0 HD2 PRO A 123 11.830 8.713 -10.358 1.00 73.03 H new ATOM 0 HD3 PRO A 123 13.066 8.810 -11.596 1.00 73.03 H new ATOM 2009 N VAL A 124 12.881 6.543 -7.711 1.00 22.12 N ATOM 2010 CA VAL A 124 12.435 6.018 -6.426 1.00 63.43 C ATOM 2011 C VAL A 124 11.001 5.509 -6.508 1.00 13.33 C ATOM 2012 O VAL A 124 10.236 5.913 -7.384 1.00 4.34 O ATOM 2013 CB VAL A 124 12.528 7.086 -5.321 1.00 1.34 C ATOM 2014 CG1 VAL A 124 11.242 7.897 -5.253 1.00 63.21 C ATOM 2015 CG2 VAL A 124 12.831 6.438 -3.978 1.00 60.41 C ATOM 0 H VAL A 124 12.364 7.360 -8.035 1.00 22.12 H new ATOM 0 HA VAL A 124 13.097 5.189 -6.176 1.00 63.43 H new ATOM 0 HB VAL A 124 13.345 7.765 -5.564 1.00 1.34 H new ATOM 0 HG11 VAL A 124 11.326 8.647 -4.466 1.00 63.21 H new ATOM 0 HG12 VAL A 124 11.073 8.392 -6.209 1.00 63.21 H new ATOM 0 HG13 VAL A 124 10.405 7.234 -5.034 1.00 63.21 H new ATOM 0 HG21 VAL A 124 12.893 7.208 -3.209 1.00 60.41 H new ATOM 0 HG22 VAL A 124 12.037 5.736 -3.725 1.00 60.41 H new ATOM 0 HG23 VAL A 124 13.781 5.906 -4.037 1.00 60.41 H new ATOM 2025 N VAL A 125 10.641 4.620 -5.588 1.00 31.42 N ATOM 2026 CA VAL A 125 9.296 4.056 -5.555 1.00 11.55 C ATOM 2027 C VAL A 125 8.892 3.683 -4.132 1.00 4.32 C ATOM 2028 O VAL A 125 9.733 3.450 -3.262 1.00 55.44 O ATOM 2029 CB VAL A 125 9.188 2.808 -6.451 1.00 74.03 C ATOM 2030 CG1 VAL A 125 9.083 3.210 -7.914 1.00 15.31 C ATOM 2031 CG2 VAL A 125 10.377 1.887 -6.227 1.00 23.31 C ATOM 0 H VAL A 125 11.261 4.275 -4.856 1.00 31.42 H new ATOM 0 HA VAL A 125 8.621 4.824 -5.933 1.00 11.55 H new ATOM 0 HB VAL A 125 8.282 2.265 -6.182 1.00 74.03 H new ATOM 0 HG11 VAL A 125 9.008 2.316 -8.533 1.00 15.31 H new ATOM 0 HG12 VAL A 125 8.196 3.827 -8.059 1.00 15.31 H new ATOM 0 HG13 VAL A 125 9.970 3.775 -8.200 1.00 15.31 H new ATOM 0 HG21 VAL A 125 10.284 1.010 -6.868 1.00 23.31 H new ATOM 0 HG22 VAL A 125 11.298 2.417 -6.468 1.00 23.31 H new ATOM 0 HG23 VAL A 125 10.402 1.572 -5.184 1.00 23.31 H new ATOM 2041 N PRO A 126 7.575 3.622 -3.888 1.00 62.31 N ATOM 2042 CA PRO A 126 7.029 3.276 -2.573 1.00 15.15 C ATOM 2043 C PRO A 126 7.261 1.812 -2.215 1.00 65.10 C ATOM 2044 O PRO A 126 6.942 0.914 -2.994 1.00 11.31 O ATOM 2045 CB PRO A 126 5.532 3.558 -2.724 1.00 71.12 C ATOM 2046 CG PRO A 126 5.267 3.420 -4.183 1.00 61.04 C ATOM 2047 CD PRO A 126 6.517 3.886 -4.878 1.00 15.52 C ATOM 0 HA PRO A 126 7.505 3.843 -1.773 1.00 15.15 H new ATOM 0 HB2 PRO A 126 4.936 2.853 -2.145 1.00 71.12 H new ATOM 0 HB3 PRO A 126 5.279 4.557 -2.368 1.00 71.12 H new ATOM 0 HG2 PRO A 126 5.039 2.386 -4.442 1.00 61.04 H new ATOM 0 HG3 PRO A 126 4.408 4.020 -4.482 1.00 61.04 H new ATOM 0 HD2 PRO A 126 6.689 3.340 -5.805 1.00 15.52 H new ATOM 0 HD3 PRO A 126 6.463 4.944 -5.136 1.00 15.52 H new ATOM 2055 N VAL A 127 7.821 1.578 -1.032 1.00 53.30 N ATOM 2056 CA VAL A 127 8.096 0.222 -0.570 1.00 52.30 C ATOM 2057 C VAL A 127 7.538 -0.005 0.831 1.00 44.23 C ATOM 2058 O VAL A 127 7.854 -1.001 1.482 1.00 72.40 O ATOM 2059 CB VAL A 127 9.607 -0.073 -0.564 1.00 31.31 C ATOM 2060 CG1 VAL A 127 10.175 0.021 -1.971 1.00 44.34 C ATOM 2061 CG2 VAL A 127 10.332 0.877 0.377 1.00 54.01 C ATOM 0 H VAL A 127 8.093 2.310 -0.376 1.00 53.30 H new ATOM 0 HA VAL A 127 7.604 -0.456 -1.267 1.00 52.30 H new ATOM 0 HB VAL A 127 9.759 -1.090 -0.204 1.00 31.31 H new ATOM 0 HG11 VAL A 127 11.244 -0.191 -1.947 1.00 44.34 H new ATOM 0 HG12 VAL A 127 9.676 -0.704 -2.614 1.00 44.34 H new ATOM 0 HG13 VAL A 127 10.013 1.025 -2.363 1.00 44.34 H new ATOM 0 HG21 VAL A 127 11.399 0.654 0.368 1.00 54.01 H new ATOM 0 HG22 VAL A 127 10.174 1.905 0.050 1.00 54.01 H new ATOM 0 HG23 VAL A 127 9.944 0.754 1.388 1.00 54.01 H new ATOM 2071 N HIS A 128 6.707 0.926 1.289 1.00 4.41 N ATOM 2072 CA HIS A 128 6.105 0.827 2.614 1.00 60.00 C ATOM 2073 C HIS A 128 4.939 1.801 2.754 1.00 50.42 C ATOM 2074 O HIS A 128 5.031 2.959 2.343 1.00 13.25 O ATOM 2075 CB HIS A 128 7.150 1.105 3.695 1.00 31.44 C ATOM 2076 CG HIS A 128 6.557 1.447 5.027 1.00 71.54 C ATOM 2077 ND1 HIS A 128 5.775 2.484 5.407 1.00 74.10 N flip ATOM 2078 CD2 HIS A 128 6.748 0.678 6.156 1.00 12.44 C flip ATOM 2079 CE1 HIS A 128 5.508 2.324 6.745 1.00 33.34 C flip ATOM 2080 NE2 HIS A 128 6.107 1.227 7.172 1.00 3.52 N flip ATOM 0 H HIS A 128 6.435 1.757 0.763 1.00 4.41 H new ATOM 0 HA HIS A 128 5.726 -0.187 2.739 1.00 60.00 H new ATOM 0 HB2 HIS A 128 7.789 0.229 3.805 1.00 31.44 H new ATOM 0 HB3 HIS A 128 7.788 1.926 3.369 1.00 31.44 H new ATOM 0 HD1 HIS A 128 5.445 3.243 4.811 1.00 74.10 H new ATOM 0 HD2 HIS A 128 7.330 -0.230 6.202 1.00 12.44 H new ATOM 0 HE1 HIS A 128 4.906 2.987 7.349 1.00 33.34 H new ATOM 2089 N LEU A 129 3.844 1.325 3.336 1.00 13.10 N ATOM 2090 CA LEU A 129 2.659 2.154 3.530 1.00 13.41 C ATOM 2091 C LEU A 129 2.301 2.254 5.010 1.00 61.35 C ATOM 2092 O LEU A 129 1.867 1.277 5.621 1.00 44.00 O ATOM 2093 CB LEU A 129 1.477 1.582 2.745 1.00 25.12 C ATOM 2094 CG LEU A 129 0.250 2.485 2.625 1.00 12.12 C ATOM 2095 CD1 LEU A 129 -0.220 2.933 4.001 1.00 23.32 C ATOM 2096 CD2 LEU A 129 0.558 3.690 1.748 1.00 72.51 C ATOM 0 H LEU A 129 3.752 0.370 3.682 1.00 13.10 H new ATOM 0 HA LEU A 129 2.882 3.155 3.160 1.00 13.41 H new ATOM 0 HB2 LEU A 129 1.820 1.334 1.741 1.00 25.12 H new ATOM 0 HB3 LEU A 129 1.171 0.648 3.217 1.00 25.12 H new ATOM 0 HG LEU A 129 -0.552 1.914 2.157 1.00 12.12 H new ATOM 0 HD11 LEU A 129 -1.094 3.575 3.896 1.00 23.32 H new ATOM 0 HD12 LEU A 129 -0.481 2.060 4.599 1.00 23.32 H new ATOM 0 HD13 LEU A 129 0.578 3.486 4.496 1.00 23.32 H new ATOM 0 HD21 LEU A 129 -0.327 4.322 1.674 1.00 72.51 H new ATOM 0 HD22 LEU A 129 1.376 4.261 2.188 1.00 72.51 H new ATOM 0 HD23 LEU A 129 0.847 3.352 0.753 1.00 72.51 H new ATOM 2108 N ASP A 130 2.483 3.440 5.578 1.00 13.52 N ATOM 2109 CA ASP A 130 2.176 3.669 6.985 1.00 2.02 C ATOM 2110 C ASP A 130 0.671 3.618 7.229 1.00 41.31 C ATOM 2111 O ASP A 130 0.186 2.805 8.015 1.00 15.15 O ATOM 2112 CB ASP A 130 2.733 5.020 7.439 1.00 64.45 C ATOM 2113 CG ASP A 130 3.144 5.017 8.897 1.00 2.12 C ATOM 2114 OD1 ASP A 130 2.247 5.017 9.766 1.00 33.33 O ATOM 2115 OD2 ASP A 130 4.363 5.014 9.171 1.00 33.22 O ATOM 0 H ASP A 130 2.842 4.258 5.086 1.00 13.52 H new ATOM 0 HA ASP A 130 2.647 2.877 7.567 1.00 2.02 H new ATOM 0 HB2 ASP A 130 3.594 5.280 6.823 1.00 64.45 H new ATOM 0 HB3 ASP A 130 1.981 5.792 7.278 1.00 64.45 H new ATOM 2120 N THR A 131 -0.063 4.494 6.549 1.00 12.32 N ATOM 2121 CA THR A 131 -1.512 4.551 6.692 1.00 32.34 C ATOM 2122 C THR A 131 -2.129 5.495 5.667 1.00 50.14 C ATOM 2123 O THR A 131 -1.436 6.025 4.798 1.00 45.30 O ATOM 2124 CB THR A 131 -1.919 5.009 8.106 1.00 51.34 C ATOM 2125 OG1 THR A 131 -3.326 4.825 8.293 1.00 13.34 O ATOM 2126 CG2 THR A 131 -1.560 6.471 8.325 1.00 32.13 C ATOM 0 H THR A 131 0.323 5.174 5.894 1.00 12.32 H new ATOM 0 HA THR A 131 -1.886 3.541 6.523 1.00 32.34 H new ATOM 0 HB THR A 131 -1.374 4.405 8.831 1.00 51.34 H new ATOM 0 HG1 THR A 131 -3.577 5.117 9.194 1.00 13.34 H new ATOM 0 HG21 THR A 131 -1.857 6.772 9.330 1.00 32.13 H new ATOM 0 HG22 THR A 131 -0.484 6.603 8.210 1.00 32.13 H new ATOM 0 HG23 THR A 131 -2.082 7.087 7.593 1.00 32.13 H new ATOM 2134 N THR A 132 -3.438 5.703 5.773 1.00 13.25 N ATOM 2135 CA THR A 132 -4.149 6.583 4.855 1.00 14.14 C ATOM 2136 C THR A 132 -4.900 7.675 5.609 1.00 2.05 C ATOM 2137 O THR A 132 -5.862 7.397 6.326 1.00 52.14 O ATOM 2138 CB THR A 132 -5.147 5.798 3.984 1.00 71.31 C ATOM 2139 OG1 THR A 132 -5.908 4.899 4.799 1.00 52.11 O ATOM 2140 CG2 THR A 132 -4.421 5.016 2.899 1.00 32.32 C ATOM 0 H THR A 132 -4.027 5.273 6.486 1.00 13.25 H new ATOM 0 HA THR A 132 -3.398 7.041 4.212 1.00 14.14 H new ATOM 0 HB THR A 132 -5.818 6.512 3.507 1.00 71.31 H new ATOM 0 HG1 THR A 132 -6.844 5.187 4.818 1.00 52.11 H new ATOM 0 HG21 THR A 132 -5.147 4.470 2.297 1.00 32.32 H new ATOM 0 HG22 THR A 132 -3.867 5.706 2.262 1.00 32.32 H new ATOM 0 HG23 THR A 132 -3.728 4.312 3.360 1.00 32.32 H new ATOM 2148 N ILE A 133 -4.454 8.916 5.444 1.00 34.24 N ATOM 2149 CA ILE A 133 -5.086 10.048 6.109 1.00 1.05 C ATOM 2150 C ILE A 133 -6.606 9.964 6.015 1.00 61.13 C ATOM 2151 O ILE A 133 -7.311 10.128 7.010 1.00 61.13 O ATOM 2152 CB ILE A 133 -4.619 11.387 5.507 1.00 23.33 C ATOM 2153 CG1 ILE A 133 -3.091 11.458 5.492 1.00 1.22 C ATOM 2154 CG2 ILE A 133 -5.202 12.553 6.292 1.00 21.40 C ATOM 2155 CD1 ILE A 133 -2.457 11.110 6.820 1.00 12.31 C ATOM 0 H ILE A 133 -3.658 9.162 4.856 1.00 34.24 H new ATOM 0 HA ILE A 133 -4.787 10.005 7.156 1.00 1.05 H new ATOM 0 HB ILE A 133 -4.977 11.452 4.480 1.00 23.33 H new ATOM 0 HG12 ILE A 133 -2.711 10.779 4.728 1.00 1.22 H new ATOM 0 HG13 ILE A 133 -2.785 12.464 5.205 1.00 1.22 H new ATOM 0 HG21 ILE A 133 -4.863 13.492 5.854 1.00 21.40 H new ATOM 0 HG22 ILE A 133 -6.290 12.508 6.256 1.00 21.40 H new ATOM 0 HG23 ILE A 133 -4.871 12.495 7.329 1.00 21.40 H new ATOM 0 HD11 ILE A 133 -1.373 11.181 6.735 1.00 12.31 H new ATOM 0 HD12 ILE A 133 -2.808 11.804 7.584 1.00 12.31 H new ATOM 0 HD13 ILE A 133 -2.733 10.093 7.100 1.00 12.31 H new TER 2167 ILE A 133