USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 965 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 Single : A 64 SER OG : rot 180:sc= 0.145 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.0092) USER MOD Single : A 69 GLN : amide:sc= -0.996 K(o=-1,f=-8.1!) USER MOD Single : A 71 GLN : amide:sc= 0.729 K(o=0.73,f=-6!) USER MOD Single : A 72 GLN : amide:sc= -0.0365 X(o=-0.037,f=0) USER MOD Single : A 76 MET CE :methyl -156:sc= -2.3 (180deg=-2.68!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 79:sc= 0.363 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -78:sc= 1.07 USER MOD Single : A 96 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.099) USER MOD Single : B 1 MET CE :methyl 163:sc= -0.174 (180deg=-0.206) USER MOD Single : B 1 MET N :NH3+ 156:sc= 1.3 (180deg=1.17) USER MOD Single : B 2 GLN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 133:sc= -1.26 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.136 USER MOD Single : B 11 LYS NZ :NH3+ -163:sc= 1.2 (180deg=1.02) USER MOD Single : B 12 THR OG1 : rot 54:sc= 0.546 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0575 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : B 25 ASN : amide:sc= 0.464 K(o=0.46,f=-0.74) USER MOD Single : B 27 LYS NZ :NH3+ 156:sc= 0.651 (180deg=-0.0643) USER MOD Single : B 29 LYS NZ :NH3+ 168:sc= 2.33 (180deg=2.07) USER MOD Single : B 31 GLN : amide:sc= -0.962 K(o=-0.96,f=-2.3!) USER MOD Single : B 33 LYS NZ :NH3+ 156:sc= 1.22 (180deg=1.16) USER MOD Single : B 40 GLN : amide:sc= -0.85 K(o=-0.85,f=-0.0024) USER MOD Single : B 41 GLN : amide:sc= 0.269 K(o=0.27,f=-6.1!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 THR OG1 : rot 1:sc= 0.312 USER MOD Single : B 57 SER OG : rot 72:sc= 0.284 USER MOD Single : B 59 TYR OH : rot 60:sc= 1.06 USER MOD Single : B 60 ASN : amide:sc= -0.0597 X(o=-0.06,f=-0.21) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 144:sc= 1.15 (180deg=-0.0841) USER MOD Single : B 65 SER OG : rot 120:sc= 1.23 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= 1.04 K(o=1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 63 -23.123 10.943 -5.227 1.00 14.11 N ATOM 2 CA GLY A 63 -22.970 10.673 -3.781 1.00 13.39 C ATOM 3 C GLY A 63 -23.164 9.210 -3.460 1.00 12.08 C ATOM 4 O GLY A 63 -23.778 8.478 -4.239 1.00 11.75 O ATOM 0 HA2 GLY A 63 -21.979 10.988 -3.455 1.00 13.39 H new ATOM 0 HA3 GLY A 63 -23.693 11.267 -3.222 1.00 13.39 H new ATOM 8 N SER A 64 -22.644 8.781 -2.322 1.00 11.42 N ATOM 9 CA SER A 64 -22.756 7.395 -1.908 1.00 10.21 C ATOM 10 C SER A 64 -22.589 7.283 -0.397 1.00 9.88 C ATOM 11 O SER A 64 -21.975 8.147 0.237 1.00 10.50 O ATOM 12 CB SER A 64 -21.700 6.543 -2.630 1.00 9.77 C ATOM 13 OG SER A 64 -21.616 5.236 -2.080 1.00 9.97 O ATOM 0 H SER A 64 -22.138 9.377 -1.667 1.00 11.42 H new ATOM 0 HA SER A 64 -23.745 7.024 -2.175 1.00 10.21 H new ATOM 0 HB2 SER A 64 -21.947 6.477 -3.689 1.00 9.77 H new ATOM 0 HB3 SER A 64 -20.728 7.031 -2.559 1.00 9.77 H new ATOM 0 HG SER A 64 -20.937 4.721 -2.563 1.00 9.97 H new ATOM 19 N GLN A 65 -23.125 6.212 0.176 1.00 9.07 N ATOM 20 CA GLN A 65 -23.031 5.982 1.610 1.00 8.94 C ATOM 21 C GLN A 65 -21.614 5.567 1.997 1.00 8.54 C ATOM 22 O GLN A 65 -21.286 5.465 3.178 1.00 9.04 O ATOM 23 CB GLN A 65 -24.032 4.912 2.040 1.00 8.41 C ATOM 24 CG GLN A 65 -25.439 5.448 2.234 1.00 8.81 C ATOM 25 CD GLN A 65 -26.500 4.402 1.974 1.00 8.35 C ATOM 26 OE1 GLN A 65 -27.032 4.302 0.869 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.814 3.612 2.984 1.00 8.68 N ATOM 0 H GLN A 65 -23.631 5.488 -0.334 1.00 9.07 H new ATOM 0 HA GLN A 65 -23.269 6.913 2.125 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -24.052 4.121 1.290 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -23.692 4.459 2.971 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -25.544 5.822 3.252 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -25.597 6.295 1.566 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -26.350 3.727 3.885 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -27.521 2.887 2.863 1.00 8.68 H new ATOM 36 N TRP A 66 -20.782 5.319 0.993 1.00 7.75 N ATOM 37 CA TRP A 66 -19.399 4.927 1.224 1.00 7.29 C ATOM 38 C TRP A 66 -18.445 5.923 0.566 1.00 7.94 C ATOM 39 O TRP A 66 -17.245 5.676 0.466 1.00 7.67 O ATOM 40 CB TRP A 66 -19.144 3.523 0.671 1.00 5.95 C ATOM 41 CG TRP A 66 -20.139 2.502 1.135 1.00 5.44 C ATOM 42 CD1 TRP A 66 -20.282 2.006 2.399 1.00 5.69 C ATOM 43 CD2 TRP A 66 -21.130 1.849 0.334 1.00 4.95 C ATOM 44 NE1 TRP A 66 -21.303 1.086 2.431 1.00 5.50 N ATOM 45 CE2 TRP A 66 -21.839 0.974 1.177 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.489 1.921 -1.013 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -22.884 0.176 0.716 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -22.525 1.130 -1.470 1.00 4.46 C ATOM 49 CH2 TRP A 66 -23.212 0.269 -0.607 1.00 4.35 C ATOM 0 H TRP A 66 -21.043 5.383 0.009 1.00 7.75 H new ATOM 0 HA TRP A 66 -19.219 4.923 2.299 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -19.159 3.563 -0.418 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -18.144 3.203 0.965 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -19.681 2.294 3.249 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -21.611 0.571 3.256 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -20.966 2.584 -1.686 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -23.415 -0.491 1.379 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -22.810 1.177 -2.511 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -24.019 -0.335 -0.995 1.00 4.35 H new ATOM 60 N GLN A 67 -18.986 7.059 0.137 1.00 8.91 N ATOM 61 CA GLN A 67 -18.184 8.090 -0.521 1.00 9.79 C ATOM 62 C GLN A 67 -17.162 8.722 0.436 1.00 10.34 C ATOM 63 O GLN A 67 -15.981 8.801 0.094 1.00 10.35 O ATOM 64 CB GLN A 67 -19.081 9.164 -1.145 1.00 10.87 C ATOM 65 CG GLN A 67 -18.389 9.990 -2.218 1.00 11.49 C ATOM 66 CD GLN A 67 -18.470 9.369 -3.606 1.00 12.17 C ATOM 67 OE1 GLN A 67 -18.561 10.078 -4.604 1.00 12.51 O ATOM 68 NE2 GLN A 67 -18.417 8.047 -3.687 1.00 12.54 N ATOM 0 H GLN A 67 -19.975 7.291 0.232 1.00 8.91 H new ATOM 0 HA GLN A 67 -17.623 7.602 -1.318 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -19.959 8.685 -1.578 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -19.436 9.830 -0.359 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -18.836 10.984 -2.246 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -17.341 10.120 -1.947 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -18.341 7.487 -2.838 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -18.452 7.590 -4.598 1.00 12.54 H new ATOM 77 N PRO A 68 -17.567 9.176 1.648 1.00 10.91 N ATOM 78 CA PRO A 68 -16.622 9.769 2.599 1.00 11.55 C ATOM 79 C PRO A 68 -15.566 8.757 3.024 1.00 10.63 C ATOM 80 O PRO A 68 -14.424 9.110 3.315 1.00 10.96 O ATOM 81 CB PRO A 68 -17.491 10.165 3.798 1.00 12.27 C ATOM 82 CG PRO A 68 -18.881 10.205 3.270 1.00 12.32 C ATOM 83 CD PRO A 68 -18.938 9.162 2.194 1.00 11.14 C ATOM 0 HA PRO A 68 -16.082 10.613 2.169 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -17.398 9.443 4.609 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -17.193 11.134 4.198 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -19.605 9.995 4.057 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -19.120 11.191 2.872 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -19.204 8.183 2.594 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -19.679 9.407 1.433 1.00 11.14 H new ATOM 91 N GLN A 69 -15.964 7.489 3.044 1.00 9.49 N ATOM 92 CA GLN A 69 -15.070 6.401 3.409 1.00 8.55 C ATOM 93 C GLN A 69 -13.931 6.305 2.402 1.00 8.02 C ATOM 94 O GLN A 69 -12.793 5.998 2.758 1.00 7.78 O ATOM 95 CB GLN A 69 -15.838 5.075 3.474 1.00 7.60 C ATOM 96 CG GLN A 69 -16.671 4.902 4.741 1.00 8.24 C ATOM 97 CD GLN A 69 -17.804 5.906 4.853 1.00 9.20 C ATOM 98 OE1 GLN A 69 -18.364 6.348 3.849 1.00 9.45 O ATOM 99 NE2 GLN A 69 -18.150 6.272 6.076 1.00 9.96 N ATOM 0 H GLN A 69 -16.910 7.190 2.809 1.00 9.49 H new ATOM 0 HA GLN A 69 -14.653 6.605 4.395 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -16.495 5.005 2.607 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -15.127 4.251 3.403 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -17.084 3.894 4.762 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -16.022 4.998 5.611 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -17.661 5.883 6.882 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -18.906 6.943 6.213 1.00 9.96 H new ATOM 108 N LEU A 70 -14.246 6.590 1.141 1.00 8.02 N ATOM 109 CA LEU A 70 -13.254 6.562 0.076 1.00 7.89 C ATOM 110 C LEU A 70 -12.238 7.674 0.295 1.00 8.90 C ATOM 111 O LEU A 70 -11.037 7.474 0.131 1.00 8.74 O ATOM 112 CB LEU A 70 -13.924 6.729 -1.291 1.00 8.18 C ATOM 113 CG LEU A 70 -14.950 5.657 -1.652 1.00 7.26 C ATOM 114 CD1 LEU A 70 -15.607 5.981 -2.982 1.00 7.86 C ATOM 115 CD2 LEU A 70 -14.295 4.290 -1.701 1.00 6.12 C ATOM 0 H LEU A 70 -15.185 6.844 0.834 1.00 8.02 H new ATOM 0 HA LEU A 70 -12.747 5.597 0.095 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -14.414 7.702 -1.320 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -13.149 6.740 -2.058 1.00 8.18 H new ATOM 0 HG LEU A 70 -15.720 5.641 -0.881 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -16.336 5.208 -3.226 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -16.110 6.945 -2.914 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -14.847 6.023 -3.763 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -15.041 3.538 -1.960 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -13.506 4.292 -2.453 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -13.867 4.056 -0.726 1.00 6.12 H new ATOM 127 N GLN A 71 -12.738 8.843 0.682 1.00 9.99 N ATOM 128 CA GLN A 71 -11.886 9.997 0.946 1.00 11.06 C ATOM 129 C GLN A 71 -11.030 9.730 2.176 1.00 10.72 C ATOM 130 O GLN A 71 -9.873 10.146 2.254 1.00 11.09 O ATOM 131 CB GLN A 71 -12.735 11.253 1.153 1.00 12.24 C ATOM 132 CG GLN A 71 -13.690 11.528 0.003 1.00 13.13 C ATOM 133 CD GLN A 71 -12.975 11.673 -1.326 1.00 13.82 C ATOM 134 OE1 GLN A 71 -12.693 10.685 -2.003 1.00 14.10 O ATOM 135 NE2 GLN A 71 -12.683 12.904 -1.712 1.00 14.24 N ATOM 0 H GLN A 71 -13.734 9.016 0.820 1.00 9.99 H new ATOM 0 HA GLN A 71 -11.236 10.161 0.087 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -13.307 11.149 2.075 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -12.076 12.112 1.282 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -14.414 10.716 -0.065 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -14.251 12.439 0.211 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -12.934 13.697 -1.121 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -12.207 13.060 -2.600 1.00 14.24 H new ATOM 144 N GLN A 72 -11.616 9.016 3.129 1.00 10.10 N ATOM 145 CA GLN A 72 -10.931 8.648 4.359 1.00 9.84 C ATOM 146 C GLN A 72 -9.779 7.696 4.054 1.00 8.80 C ATOM 147 O GLN A 72 -8.694 7.808 4.623 1.00 8.95 O ATOM 148 CB GLN A 72 -11.914 7.989 5.327 1.00 9.58 C ATOM 149 CG GLN A 72 -12.237 8.837 6.545 1.00 10.51 C ATOM 150 CD GLN A 72 -11.138 8.793 7.585 1.00 11.48 C ATOM 151 OE1 GLN A 72 -11.143 7.945 8.473 1.00 11.74 O ATOM 152 NE2 GLN A 72 -10.189 9.708 7.486 1.00 12.15 N ATOM 0 H GLN A 72 -12.576 8.677 3.070 1.00 10.10 H new ATOM 0 HA GLN A 72 -10.528 9.549 4.822 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -12.839 7.767 4.795 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -11.500 7.037 5.658 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -12.398 9.869 6.234 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -13.169 8.489 6.990 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -10.220 10.396 6.733 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -9.425 9.726 8.162 1.00 12.15 H new ATOM 161 N LEU A 73 -10.023 6.767 3.138 1.00 7.83 N ATOM 162 CA LEU A 73 -9.011 5.800 2.738 1.00 6.88 C ATOM 163 C LEU A 73 -7.959 6.458 1.855 1.00 7.64 C ATOM 164 O LEU A 73 -6.791 6.071 1.858 1.00 7.45 O ATOM 165 CB LEU A 73 -9.658 4.634 1.989 1.00 5.88 C ATOM 166 CG LEU A 73 -10.409 3.633 2.866 1.00 5.07 C ATOM 167 CD1 LEU A 73 -11.160 2.633 2.004 1.00 4.30 C ATOM 168 CD2 LEU A 73 -9.448 2.910 3.797 1.00 4.47 C ATOM 0 H LEU A 73 -10.917 6.664 2.657 1.00 7.83 H new ATOM 0 HA LEU A 73 -8.527 5.422 3.638 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -10.351 5.037 1.251 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -8.882 4.101 1.440 1.00 5.88 H new ATOM 0 HG LEU A 73 -11.130 4.182 3.472 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -11.690 1.927 2.644 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -11.877 3.161 1.375 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -10.453 2.093 1.374 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -10.002 2.202 4.413 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -8.704 2.374 3.207 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -8.948 3.636 4.439 1.00 4.47 H new ATOM 180 N ARG A 74 -8.380 7.472 1.108 1.00 8.61 N ATOM 181 CA ARG A 74 -7.487 8.195 0.213 1.00 9.59 C ATOM 182 C ARG A 74 -6.430 8.983 0.984 1.00 10.26 C ATOM 183 O ARG A 74 -5.474 9.483 0.394 1.00 10.62 O ATOM 184 CB ARG A 74 -8.285 9.128 -0.700 1.00 10.58 C ATOM 185 CG ARG A 74 -8.755 8.457 -1.980 1.00 10.33 C ATOM 186 CD ARG A 74 -9.659 9.368 -2.793 1.00 11.09 C ATOM 187 NE ARG A 74 -9.810 8.895 -4.169 1.00 11.57 N ATOM 188 CZ ARG A 74 -10.958 8.909 -4.849 1.00 12.12 C ATOM 189 NH1 ARG A 74 -12.073 9.354 -4.285 1.00 12.26 N ATOM 190 NH2 ARG A 74 -10.989 8.475 -6.101 1.00 12.66 N ATOM 0 H ARG A 74 -9.341 7.813 1.106 1.00 8.61 H new ATOM 0 HA ARG A 74 -6.968 7.457 -0.399 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -9.151 9.505 -0.156 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -7.669 9.990 -0.955 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -7.891 8.172 -2.580 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -9.289 7.539 -1.735 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -10.639 9.425 -2.319 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -9.248 10.377 -2.799 1.00 11.09 H new ATOM 0 HE ARG A 74 -8.982 8.530 -4.640 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -12.058 9.690 -3.322 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -12.945 9.360 -4.814 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -10.136 8.131 -6.543 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -11.865 8.485 -6.623 1.00 12.66 H new ATOM 204 N ASP A 75 -6.595 9.075 2.301 1.00 10.54 N ATOM 205 CA ASP A 75 -5.643 9.789 3.152 1.00 11.27 C ATOM 206 C ASP A 75 -4.257 9.167 3.040 1.00 10.44 C ATOM 207 O ASP A 75 -3.262 9.870 2.887 1.00 10.88 O ATOM 208 CB ASP A 75 -6.106 9.764 4.610 1.00 11.97 C ATOM 209 CG ASP A 75 -5.079 10.351 5.565 1.00 12.96 C ATOM 210 OD1 ASP A 75 -5.081 11.585 5.760 1.00 13.34 O ATOM 211 OD2 ASP A 75 -4.279 9.580 6.138 1.00 13.39 O ATOM 0 H ASP A 75 -7.381 8.663 2.805 1.00 10.54 H new ATOM 0 HA ASP A 75 -5.594 10.824 2.814 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -7.039 10.321 4.700 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -6.320 8.735 4.901 1.00 11.97 H new ATOM 216 N MET A 76 -4.205 7.842 3.100 1.00 9.25 N ATOM 217 CA MET A 76 -2.940 7.126 3.001 1.00 8.38 C ATOM 218 C MET A 76 -2.473 7.072 1.550 1.00 8.05 C ATOM 219 O MET A 76 -1.286 6.914 1.271 1.00 7.84 O ATOM 220 CB MET A 76 -3.068 5.705 3.569 1.00 7.29 C ATOM 221 CG MET A 76 -3.992 4.794 2.772 1.00 7.05 C ATOM 222 SD MET A 76 -3.243 3.196 2.390 1.00 6.11 S ATOM 223 CE MET A 76 -1.960 3.690 1.242 1.00 6.19 C ATOM 0 H MET A 76 -5.022 7.243 3.216 1.00 9.25 H new ATOM 0 HA MET A 76 -2.199 7.665 3.591 1.00 8.38 H new ATOM 0 HB2 MET A 76 -2.077 5.252 3.611 1.00 7.29 H new ATOM 0 HB3 MET A 76 -3.433 5.767 4.594 1.00 7.29 H new ATOM 0 HG2 MET A 76 -4.911 4.634 3.336 1.00 7.05 H new ATOM 0 HG3 MET A 76 -4.271 5.291 1.843 1.00 7.05 H new ATOM 0 HE1 MET A 76 -1.698 2.846 0.604 1.00 6.19 H new ATOM 0 HE2 MET A 76 -2.321 4.513 0.625 1.00 6.19 H new ATOM 0 HE3 MET A 76 -1.079 4.012 1.797 1.00 6.19 H new ATOM 233 N GLY A 77 -3.417 7.210 0.629 1.00 8.19 N ATOM 234 CA GLY A 77 -3.083 7.173 -0.777 1.00 8.26 C ATOM 235 C GLY A 77 -3.616 5.935 -1.464 1.00 7.78 C ATOM 236 O GLY A 77 -2.941 4.907 -1.532 1.00 8.03 O ATOM 0 H GLY A 77 -4.407 7.347 0.832 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -3.486 8.059 -1.267 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -2.000 7.211 -0.891 1.00 8.26 H new ATOM 240 N ILE A 78 -4.832 6.020 -1.972 1.00 7.25 N ATOM 241 CA ILE A 78 -5.439 4.893 -2.654 1.00 6.87 C ATOM 242 C ILE A 78 -5.918 5.309 -4.035 1.00 7.92 C ATOM 243 O ILE A 78 -6.920 6.005 -4.176 1.00 8.11 O ATOM 244 CB ILE A 78 -6.613 4.286 -1.847 1.00 5.66 C ATOM 245 CG1 ILE A 78 -6.110 3.769 -0.492 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.281 3.169 -2.635 1.00 5.39 C ATOM 247 CD1 ILE A 78 -7.042 2.782 0.183 1.00 4.22 C ATOM 0 H ILE A 78 -5.416 6.855 -1.925 1.00 7.25 H new ATOM 0 HA ILE A 78 -4.674 4.123 -2.751 1.00 6.87 H new ATOM 0 HB ILE A 78 -7.355 5.064 -1.668 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -5.139 3.295 -0.635 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -5.955 4.618 0.173 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.104 2.754 -2.052 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -7.666 3.566 -3.574 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -6.553 2.385 -2.844 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -6.612 2.467 1.134 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -8.007 3.256 0.361 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -7.178 1.912 -0.460 1.00 4.22 H new ATOM 259 N GLN A 79 -5.183 4.880 -5.051 1.00 8.74 N ATOM 260 CA GLN A 79 -5.519 5.194 -6.433 1.00 9.84 C ATOM 261 C GLN A 79 -6.475 4.145 -6.990 1.00 9.63 C ATOM 262 O GLN A 79 -6.690 4.054 -8.194 1.00 10.41 O ATOM 263 CB GLN A 79 -4.247 5.253 -7.284 1.00 10.93 C ATOM 264 CG GLN A 79 -4.323 6.249 -8.430 1.00 11.98 C ATOM 265 CD GLN A 79 -3.112 6.186 -9.342 1.00 12.64 C ATOM 266 OE1 GLN A 79 -3.117 5.493 -10.358 1.00 12.98 O ATOM 267 NE2 GLN A 79 -2.062 6.907 -8.985 1.00 12.99 N ATOM 0 H GLN A 79 -4.344 4.310 -4.943 1.00 8.74 H new ATOM 0 HA GLN A 79 -6.008 6.168 -6.464 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -3.404 5.513 -6.644 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -4.045 4.261 -7.689 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -5.223 6.057 -9.014 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -4.415 7.257 -8.025 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -2.095 7.470 -8.135 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -1.219 6.900 -9.560 1.00 12.99 H new ATOM 276 N ASP A 80 -7.048 3.358 -6.095 1.00 8.64 N ATOM 277 CA ASP A 80 -7.974 2.309 -6.478 1.00 8.48 C ATOM 278 C ASP A 80 -9.267 2.444 -5.686 1.00 7.69 C ATOM 279 O ASP A 80 -9.594 1.590 -4.858 1.00 6.59 O ATOM 280 CB ASP A 80 -7.360 0.923 -6.239 1.00 8.02 C ATOM 281 CG ASP A 80 -6.207 0.613 -7.177 1.00 9.04 C ATOM 282 OD1 ASP A 80 -6.437 0.508 -8.400 1.00 9.63 O ATOM 283 OD2 ASP A 80 -5.063 0.472 -6.689 1.00 9.40 O ATOM 0 H ASP A 80 -6.885 3.428 -5.090 1.00 8.64 H new ATOM 0 HA ASP A 80 -8.188 2.412 -7.542 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -7.010 0.860 -5.209 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -8.133 0.164 -6.360 1.00 8.02 H new ATOM 288 N ASP A 81 -9.992 3.532 -5.926 1.00 8.34 N ATOM 289 CA ASP A 81 -11.252 3.779 -5.227 1.00 7.85 C ATOM 290 C ASP A 81 -12.288 2.731 -5.614 1.00 7.35 C ATOM 291 O ASP A 81 -13.204 2.441 -4.848 1.00 6.42 O ATOM 292 CB ASP A 81 -11.779 5.193 -5.509 1.00 8.97 C ATOM 293 CG ASP A 81 -12.317 5.368 -6.917 1.00 9.79 C ATOM 294 OD1 ASP A 81 -11.505 5.592 -7.841 1.00 10.41 O ATOM 295 OD2 ASP A 81 -13.550 5.297 -7.103 1.00 9.98 O ATOM 0 H ASP A 81 -9.731 4.255 -6.596 1.00 8.34 H new ATOM 0 HA ASP A 81 -11.063 3.704 -4.156 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -12.569 5.427 -4.795 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -10.976 5.911 -5.343 1.00 8.97 H new ATOM 300 N GLU A 82 -12.120 2.145 -6.796 1.00 8.08 N ATOM 301 CA GLU A 82 -13.027 1.112 -7.278 1.00 7.93 C ATOM 302 C GLU A 82 -13.001 -0.089 -6.334 1.00 6.97 C ATOM 303 O GLU A 82 -14.045 -0.562 -5.882 1.00 6.36 O ATOM 304 CB GLU A 82 -12.627 0.678 -8.689 1.00 9.21 C ATOM 305 CG GLU A 82 -13.585 -0.319 -9.321 1.00 9.80 C ATOM 306 CD GLU A 82 -12.871 -1.506 -9.934 1.00 10.67 C ATOM 307 OE1 GLU A 82 -11.832 -1.308 -10.596 1.00 11.24 O ATOM 308 OE2 GLU A 82 -13.349 -2.649 -9.761 1.00 10.93 O ATOM 0 H GLU A 82 -11.361 2.370 -7.439 1.00 8.08 H new ATOM 0 HA GLU A 82 -14.039 1.517 -7.307 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -12.564 1.560 -9.326 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -11.630 0.238 -8.654 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -14.286 -0.672 -8.565 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -14.172 0.184 -10.090 1.00 9.80 H new ATOM 315 N LEU A 83 -11.794 -0.558 -6.027 1.00 6.96 N ATOM 316 CA LEU A 83 -11.613 -1.696 -5.133 1.00 6.31 C ATOM 317 C LEU A 83 -12.102 -1.342 -3.732 1.00 4.93 C ATOM 318 O LEU A 83 -12.737 -2.152 -3.058 1.00 4.43 O ATOM 319 CB LEU A 83 -10.135 -2.107 -5.082 1.00 6.75 C ATOM 320 CG LEU A 83 -9.847 -3.592 -5.337 1.00 7.08 C ATOM 321 CD1 LEU A 83 -10.558 -4.468 -4.314 1.00 6.18 C ATOM 322 CD2 LEU A 83 -10.248 -3.984 -6.753 1.00 7.88 C ATOM 0 H LEU A 83 -10.924 -0.165 -6.386 1.00 6.96 H new ATOM 0 HA LEU A 83 -12.196 -2.534 -5.514 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -9.588 -1.518 -5.818 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -9.737 -1.842 -4.102 1.00 6.75 H new ATOM 0 HG LEU A 83 -8.774 -3.750 -5.230 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -10.338 -5.516 -4.517 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -10.212 -4.212 -3.313 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -11.634 -4.304 -4.380 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -10.035 -5.041 -6.912 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -11.314 -3.804 -6.892 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -9.682 -3.388 -7.469 1.00 7.88 H new ATOM 334 N SER A 84 -11.820 -0.116 -3.316 1.00 4.61 N ATOM 335 CA SER A 84 -12.223 0.361 -2.002 1.00 3.54 C ATOM 336 C SER A 84 -13.746 0.370 -1.873 1.00 3.20 C ATOM 337 O SER A 84 -14.292 -0.080 -0.867 1.00 2.40 O ATOM 338 CB SER A 84 -11.653 1.758 -1.761 1.00 4.04 C ATOM 339 OG SER A 84 -10.272 1.802 -2.088 1.00 4.41 O ATOM 0 H SER A 84 -11.311 0.570 -3.873 1.00 4.61 H new ATOM 0 HA SER A 84 -11.827 -0.317 -1.246 1.00 3.54 H new ATOM 0 HB2 SER A 84 -12.197 2.486 -2.362 1.00 4.04 H new ATOM 0 HB3 SER A 84 -11.793 2.038 -0.717 1.00 4.04 H new ATOM 0 HG SER A 84 -10.168 1.880 -3.059 1.00 4.41 H new ATOM 345 N LEU A 85 -14.427 0.860 -2.905 1.00 4.01 N ATOM 346 CA LEU A 85 -15.886 0.914 -2.904 1.00 3.84 C ATOM 347 C LEU A 85 -16.465 -0.493 -2.814 1.00 3.28 C ATOM 348 O LEU A 85 -17.399 -0.744 -2.053 1.00 2.78 O ATOM 349 CB LEU A 85 -16.389 1.623 -4.172 1.00 4.96 C ATOM 350 CG LEU A 85 -17.832 2.157 -4.129 1.00 5.14 C ATOM 351 CD1 LEU A 85 -18.833 1.053 -4.440 1.00 4.60 C ATOM 352 CD2 LEU A 85 -18.139 2.786 -2.776 1.00 5.12 C ATOM 0 H LEU A 85 -13.992 1.225 -3.752 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.218 1.480 -2.034 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -15.722 2.458 -4.384 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.306 0.928 -5.008 1.00 4.96 H new ATOM 0 HG LEU A 85 -17.924 2.927 -4.895 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -19.844 1.458 -4.403 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -18.638 0.655 -5.436 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -18.734 0.255 -3.704 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -19.164 3.156 -2.771 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -18.019 2.039 -1.992 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -17.454 3.614 -2.596 1.00 5.12 H new ATOM 364 N ARG A 86 -15.891 -1.409 -3.581 1.00 3.88 N ATOM 365 CA ARG A 86 -16.341 -2.794 -3.591 1.00 4.19 C ATOM 366 C ARG A 86 -16.173 -3.422 -2.211 1.00 3.70 C ATOM 367 O ARG A 86 -17.061 -4.127 -1.728 1.00 3.99 O ATOM 368 CB ARG A 86 -15.565 -3.594 -4.635 1.00 5.40 C ATOM 369 CG ARG A 86 -15.866 -3.176 -6.065 1.00 6.27 C ATOM 370 CD ARG A 86 -14.845 -3.737 -7.037 1.00 7.50 C ATOM 371 NE ARG A 86 -14.894 -5.193 -7.106 1.00 8.08 N ATOM 372 CZ ARG A 86 -14.235 -5.918 -8.009 1.00 9.13 C ATOM 373 NH1 ARG A 86 -13.491 -5.327 -8.937 1.00 9.71 N ATOM 374 NH2 ARG A 86 -14.322 -7.241 -7.986 1.00 9.73 N ATOM 0 H ARG A 86 -15.109 -1.217 -4.207 1.00 3.88 H new ATOM 0 HA ARG A 86 -17.399 -2.812 -3.851 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -14.497 -3.480 -4.449 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.798 -4.652 -4.517 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -16.862 -3.520 -6.343 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -15.874 -2.088 -6.133 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -15.023 -3.322 -8.029 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -13.846 -3.422 -6.734 1.00 7.50 H new ATOM 0 HE ARG A 86 -15.467 -5.686 -6.422 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -13.420 -4.310 -8.963 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -12.990 -5.890 -9.624 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -14.893 -7.702 -7.278 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -13.818 -7.797 -8.677 1.00 9.73 H new ATOM 388 N ALA A 87 -15.037 -3.149 -1.580 1.00 3.29 N ATOM 389 CA ALA A 87 -14.753 -3.672 -0.250 1.00 3.24 C ATOM 390 C ALA A 87 -15.697 -3.056 0.780 1.00 2.92 C ATOM 391 O ALA A 87 -16.173 -3.738 1.691 1.00 3.77 O ATOM 392 CB ALA A 87 -13.306 -3.408 0.126 1.00 2.94 C ATOM 0 H ALA A 87 -14.296 -2.567 -1.970 1.00 3.29 H new ATOM 0 HA ALA A 87 -14.914 -4.750 -0.261 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -13.111 -3.805 1.122 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -12.648 -3.895 -0.594 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -13.119 -2.334 0.120 1.00 2.94 H new ATOM 398 N LEU A 88 -15.963 -1.761 0.629 1.00 2.29 N ATOM 399 CA LEU A 88 -16.868 -1.051 1.528 1.00 2.80 C ATOM 400 C LEU A 88 -18.274 -1.625 1.401 1.00 3.31 C ATOM 401 O LEU A 88 -18.955 -1.863 2.397 1.00 4.23 O ATOM 402 CB LEU A 88 -16.884 0.449 1.203 1.00 2.96 C ATOM 403 CG LEU A 88 -16.106 1.353 2.169 1.00 3.67 C ATOM 404 CD1 LEU A 88 -16.666 1.243 3.580 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.623 1.014 2.153 1.00 3.12 C ATOM 0 H LEU A 88 -15.564 -1.181 -0.109 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.516 -1.179 2.552 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.479 0.588 0.200 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -17.921 0.784 1.178 1.00 2.96 H new ATOM 0 HG LEU A 88 -16.223 2.384 1.834 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -16.100 1.892 4.248 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -17.713 1.547 3.581 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -16.587 0.212 3.923 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -14.093 1.668 2.845 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.484 -0.024 2.455 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -14.228 1.155 1.147 1.00 3.12 H new ATOM 417 N GLN A 89 -18.688 -1.860 0.164 1.00 2.99 N ATOM 418 CA GLN A 89 -20.000 -2.421 -0.121 1.00 3.54 C ATOM 419 C GLN A 89 -20.093 -3.854 0.397 1.00 4.52 C ATOM 420 O GLN A 89 -21.124 -4.267 0.926 1.00 5.29 O ATOM 421 CB GLN A 89 -20.261 -2.391 -1.627 1.00 3.40 C ATOM 422 CG GLN A 89 -21.599 -2.984 -2.034 1.00 3.28 C ATOM 423 CD GLN A 89 -21.725 -3.139 -3.537 1.00 3.90 C ATOM 424 OE1 GLN A 89 -22.192 -2.236 -4.233 1.00 4.41 O ATOM 425 NE2 GLN A 89 -21.302 -4.282 -4.053 1.00 4.33 N ATOM 0 H GLN A 89 -18.127 -1.668 -0.666 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.755 -1.820 0.386 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -20.212 -1.359 -1.973 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -19.465 -2.935 -2.134 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -21.722 -3.957 -1.559 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -22.403 -2.346 -1.668 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -20.921 -5.006 -3.444 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -21.357 -4.438 -5.059 1.00 4.33 H new ATOM 434 N ALA A 90 -19.002 -4.599 0.251 1.00 4.72 N ATOM 435 CA ALA A 90 -18.949 -5.988 0.695 1.00 5.90 C ATOM 436 C ALA A 90 -19.041 -6.095 2.213 1.00 6.49 C ATOM 437 O ALA A 90 -19.599 -7.053 2.740 1.00 7.58 O ATOM 438 CB ALA A 90 -17.674 -6.652 0.198 1.00 6.16 C ATOM 0 H ALA A 90 -18.138 -4.262 -0.174 1.00 4.72 H new ATOM 0 HA ALA A 90 -19.810 -6.505 0.272 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -17.647 -7.688 0.536 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -17.651 -6.626 -0.891 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -16.809 -6.119 0.592 1.00 6.16 H new ATOM 444 N THR A 91 -18.495 -5.110 2.911 1.00 5.96 N ATOM 445 CA THR A 91 -18.520 -5.114 4.365 1.00 6.79 C ATOM 446 C THR A 91 -19.756 -4.402 4.894 1.00 7.26 C ATOM 447 O THR A 91 -20.058 -4.459 6.084 1.00 8.28 O ATOM 448 CB THR A 91 -17.264 -4.439 4.945 1.00 6.34 C ATOM 449 OG1 THR A 91 -17.033 -3.187 4.284 1.00 5.23 O ATOM 450 CG2 THR A 91 -16.047 -5.335 4.780 1.00 6.30 C ATOM 0 H THR A 91 -18.032 -4.302 2.496 1.00 5.96 H new ATOM 0 HA THR A 91 -18.544 -6.157 4.681 1.00 6.79 H new ATOM 0 HB THR A 91 -17.428 -4.265 6.008 1.00 6.34 H new ATOM 0 HG1 THR A 91 -16.623 -3.350 3.409 1.00 5.23 H new ATOM 0 HG21 THR A 91 -15.171 -4.839 5.197 1.00 6.30 H new ATOM 0 HG22 THR A 91 -16.214 -6.276 5.304 1.00 6.30 H new ATOM 0 HG23 THR A 91 -15.882 -5.534 3.721 1.00 6.30 H new ATOM 458 N GLY A 92 -20.457 -3.719 4.005 1.00 6.62 N ATOM 459 CA GLY A 92 -21.645 -2.993 4.396 1.00 7.16 C ATOM 460 C GLY A 92 -21.331 -1.547 4.707 1.00 7.11 C ATOM 461 O GLY A 92 -22.148 -0.658 4.475 1.00 7.79 O ATOM 0 H GLY A 92 -20.223 -3.654 3.014 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -22.383 -3.042 3.596 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -22.091 -3.466 5.271 1.00 7.16 H new ATOM 465 N GLY A 93 -20.135 -1.306 5.225 1.00 6.52 N ATOM 466 CA GLY A 93 -19.728 0.040 5.555 1.00 6.76 C ATOM 467 C GLY A 93 -18.741 0.082 6.700 1.00 7.35 C ATOM 468 O GLY A 93 -19.060 0.580 7.780 1.00 8.35 O ATOM 0 H GLY A 93 -19.438 -2.024 5.422 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -19.281 0.507 4.677 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.608 0.629 5.816 1.00 6.76 H new ATOM 472 N ASP A 94 -17.548 -0.454 6.480 1.00 6.83 N ATOM 473 CA ASP A 94 -16.512 -0.457 7.505 1.00 7.34 C ATOM 474 C ASP A 94 -15.143 -0.291 6.862 1.00 6.34 C ATOM 475 O ASP A 94 -14.889 -0.836 5.791 1.00 5.39 O ATOM 476 CB ASP A 94 -16.552 -1.746 8.325 1.00 8.06 C ATOM 477 CG ASP A 94 -15.624 -1.690 9.523 1.00 8.93 C ATOM 478 OD1 ASP A 94 -15.999 -1.082 10.543 1.00 9.60 O ATOM 479 OD2 ASP A 94 -14.509 -2.237 9.447 1.00 9.06 O ATOM 0 H ASP A 94 -17.273 -0.892 5.601 1.00 6.83 H new ATOM 0 HA ASP A 94 -16.698 0.380 8.178 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -17.572 -1.927 8.665 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -16.274 -2.587 7.690 1.00 8.06 H new ATOM 484 N ILE A 95 -14.274 0.470 7.513 1.00 6.69 N ATOM 485 CA ILE A 95 -12.933 0.725 6.997 1.00 5.90 C ATOM 486 C ILE A 95 -11.980 -0.435 7.293 1.00 5.73 C ATOM 487 O ILE A 95 -11.353 -0.979 6.383 1.00 4.72 O ATOM 488 CB ILE A 95 -12.355 2.033 7.592 1.00 6.68 C ATOM 489 CG1 ILE A 95 -13.181 3.239 7.129 1.00 7.07 C ATOM 490 CG2 ILE A 95 -10.889 2.207 7.209 1.00 6.13 C ATOM 491 CD1 ILE A 95 -13.181 3.448 5.630 1.00 6.13 C ATOM 0 H ILE A 95 -14.474 0.924 8.404 1.00 6.69 H new ATOM 0 HA ILE A 95 -13.022 0.828 5.916 1.00 5.90 H new ATOM 0 HB ILE A 95 -12.412 1.968 8.679 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -14.209 3.113 7.468 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -12.794 4.137 7.610 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -10.508 3.133 7.640 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -10.311 1.365 7.590 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -10.799 2.248 6.123 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -13.787 4.320 5.384 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -12.159 3.607 5.285 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -13.596 2.567 5.140 1.00 6.13 H new ATOM 503 N GLN A 96 -11.894 -0.819 8.562 1.00 6.84 N ATOM 504 CA GLN A 96 -10.997 -1.893 8.987 1.00 7.04 C ATOM 505 C GLN A 96 -11.307 -3.209 8.286 1.00 6.72 C ATOM 506 O GLN A 96 -10.408 -3.862 7.756 1.00 6.21 O ATOM 507 CB GLN A 96 -11.070 -2.077 10.505 1.00 8.47 C ATOM 508 CG GLN A 96 -10.193 -1.101 11.271 1.00 8.96 C ATOM 509 CD GLN A 96 -8.715 -1.433 11.160 1.00 9.42 C ATOM 510 OE1 GLN A 96 -7.872 -0.541 11.079 1.00 9.63 O ATOM 511 NE2 GLN A 96 -8.388 -2.718 11.172 1.00 9.81 N ATOM 0 H GLN A 96 -12.436 -0.402 9.319 1.00 6.84 H new ATOM 0 HA GLN A 96 -9.985 -1.601 8.705 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -12.104 -1.958 10.829 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -10.773 -3.095 10.755 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -10.364 -0.092 10.895 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -10.484 -1.104 12.321 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -9.116 -3.429 11.240 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -7.408 -2.995 11.113 1.00 9.81 H new ATOM 520 N ALA A 97 -12.578 -3.581 8.266 1.00 7.19 N ATOM 521 CA ALA A 97 -13.000 -4.823 7.638 1.00 7.30 C ATOM 522 C ALA A 97 -12.728 -4.803 6.139 1.00 6.10 C ATOM 523 O ALA A 97 -12.389 -5.830 5.548 1.00 6.26 O ATOM 524 CB ALA A 97 -14.472 -5.077 7.913 1.00 8.11 C ATOM 0 H ALA A 97 -13.337 -3.038 8.679 1.00 7.19 H new ATOM 0 HA ALA A 97 -12.418 -5.637 8.070 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -14.775 -6.010 7.437 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -14.634 -5.149 8.988 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -15.064 -4.255 7.511 1.00 8.11 H new ATOM 530 N ALA A 98 -12.865 -3.631 5.531 1.00 5.11 N ATOM 531 CA ALA A 98 -12.626 -3.483 4.102 1.00 3.96 C ATOM 532 C ALA A 98 -11.151 -3.693 3.783 1.00 3.50 C ATOM 533 O ALA A 98 -10.806 -4.321 2.780 1.00 3.58 O ATOM 534 CB ALA A 98 -13.082 -2.115 3.624 1.00 3.13 C ATOM 0 H ALA A 98 -13.140 -2.771 6.005 1.00 5.11 H new ATOM 0 HA ALA A 98 -13.205 -4.243 3.577 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -12.896 -2.023 2.554 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -14.148 -1.999 3.818 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -12.530 -1.341 4.157 1.00 3.13 H new ATOM 540 N LEU A 99 -10.289 -3.175 4.651 1.00 3.43 N ATOM 541 CA LEU A 99 -8.847 -3.315 4.479 1.00 3.02 C ATOM 542 C LEU A 99 -8.459 -4.786 4.490 1.00 3.99 C ATOM 543 O LEU A 99 -7.617 -5.226 3.705 1.00 3.99 O ATOM 544 CB LEU A 99 -8.094 -2.570 5.585 1.00 3.22 C ATOM 545 CG LEU A 99 -8.304 -1.055 5.615 1.00 2.80 C ATOM 546 CD1 LEU A 99 -7.407 -0.415 6.665 1.00 3.12 C ATOM 547 CD2 LEU A 99 -8.039 -0.450 4.244 1.00 2.72 C ATOM 0 H LEU A 99 -10.564 -2.653 5.483 1.00 3.43 H new ATOM 0 HA LEU A 99 -8.573 -2.879 3.518 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -8.397 -2.981 6.548 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -7.028 -2.770 5.474 1.00 3.22 H new ATOM 0 HG LEU A 99 -9.342 -0.856 5.881 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -7.569 0.663 6.673 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -7.645 -0.825 7.646 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -6.364 -0.624 6.428 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -8.194 0.628 4.286 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -7.011 -0.658 3.947 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -8.722 -0.886 3.515 1.00 2.72 H new ATOM 559 N GLU A 100 -9.090 -5.541 5.380 1.00 5.11 N ATOM 560 CA GLU A 100 -8.830 -6.968 5.497 1.00 6.25 C ATOM 561 C GLU A 100 -9.284 -7.695 4.236 1.00 6.58 C ATOM 562 O GLU A 100 -8.645 -8.646 3.795 1.00 7.26 O ATOM 563 CB GLU A 100 -9.557 -7.542 6.709 1.00 7.44 C ATOM 564 CG GLU A 100 -9.212 -6.849 8.015 1.00 7.73 C ATOM 565 CD GLU A 100 -10.023 -7.376 9.177 1.00 8.52 C ATOM 566 OE1 GLU A 100 -11.268 -7.354 9.099 1.00 8.97 O ATOM 567 OE2 GLU A 100 -9.419 -7.817 10.176 1.00 8.88 O ATOM 0 H GLU A 100 -9.788 -5.186 6.033 1.00 5.11 H new ATOM 0 HA GLU A 100 -7.757 -7.112 5.624 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -10.632 -7.471 6.544 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -9.317 -8.602 6.796 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -8.151 -6.983 8.225 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -9.384 -5.778 7.911 1.00 7.73 H new ATOM 574 N LEU A 101 -10.388 -7.234 3.657 1.00 6.27 N ATOM 575 CA LEU A 101 -10.926 -7.844 2.447 1.00 6.77 C ATOM 576 C LEU A 101 -9.951 -7.691 1.288 1.00 6.45 C ATOM 577 O LEU A 101 -9.644 -8.660 0.596 1.00 7.40 O ATOM 578 CB LEU A 101 -12.274 -7.224 2.072 1.00 6.50 C ATOM 579 CG LEU A 101 -13.443 -7.555 3.004 1.00 7.42 C ATOM 580 CD1 LEU A 101 -14.761 -7.380 2.271 1.00 8.33 C ATOM 581 CD2 LEU A 101 -13.326 -8.968 3.559 1.00 8.03 C ATOM 0 H LEU A 101 -10.927 -6.441 4.006 1.00 6.27 H new ATOM 0 HA LEU A 101 -11.074 -8.905 2.650 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -12.157 -6.141 2.037 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -12.534 -7.549 1.065 1.00 6.50 H new ATOM 0 HG LEU A 101 -13.411 -6.864 3.846 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -15.585 -7.618 2.943 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -14.855 -6.348 1.933 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -14.790 -8.048 1.410 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -14.171 -9.172 4.217 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -13.326 -9.683 2.736 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -12.397 -9.062 4.122 1.00 8.03 H new ATOM 593 N ILE A 102 -9.458 -6.474 1.089 1.00 5.30 N ATOM 594 CA ILE A 102 -8.512 -6.202 0.013 1.00 5.26 C ATOM 595 C ILE A 102 -7.214 -6.974 0.243 1.00 5.93 C ATOM 596 O ILE A 102 -6.602 -7.480 -0.697 1.00 6.78 O ATOM 597 CB ILE A 102 -8.201 -4.691 -0.109 1.00 4.06 C ATOM 598 CG1 ILE A 102 -9.499 -3.880 -0.122 1.00 3.48 C ATOM 599 CG2 ILE A 102 -7.395 -4.417 -1.371 1.00 4.62 C ATOM 600 CD1 ILE A 102 -9.287 -2.380 -0.104 1.00 2.57 C ATOM 0 H ILE A 102 -9.697 -5.661 1.657 1.00 5.30 H new ATOM 0 HA ILE A 102 -8.974 -6.529 -0.918 1.00 5.26 H new ATOM 0 HB ILE A 102 -7.609 -4.388 0.755 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -10.072 -4.145 -1.010 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -10.101 -4.162 0.742 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -7.184 -3.350 -1.443 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -6.457 -4.971 -1.331 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -7.966 -4.734 -2.244 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -10.253 -1.876 -0.115 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -8.742 -2.100 0.797 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -8.713 -2.083 -0.982 1.00 2.57 H new ATOM 612 N PHE A 103 -6.818 -7.076 1.506 1.00 5.72 N ATOM 613 CA PHE A 103 -5.607 -7.794 1.880 1.00 6.33 C ATOM 614 C PHE A 103 -5.758 -9.292 1.608 1.00 7.75 C ATOM 615 O PHE A 103 -4.802 -9.962 1.212 1.00 8.49 O ATOM 616 CB PHE A 103 -5.298 -7.548 3.361 1.00 5.96 C ATOM 617 CG PHE A 103 -4.031 -8.200 3.842 1.00 6.06 C ATOM 618 CD1 PHE A 103 -2.798 -7.618 3.596 1.00 6.20 C ATOM 619 CD2 PHE A 103 -4.076 -9.395 4.541 1.00 6.17 C ATOM 620 CE1 PHE A 103 -1.634 -8.215 4.043 1.00 6.41 C ATOM 621 CE2 PHE A 103 -2.916 -9.997 4.989 1.00 6.39 C ATOM 622 CZ PHE A 103 -1.693 -9.407 4.738 1.00 6.50 C ATOM 0 H PHE A 103 -7.322 -6.667 2.293 1.00 5.72 H new ATOM 0 HA PHE A 103 -4.779 -7.424 1.276 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -5.229 -6.474 3.533 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -6.132 -7.913 3.960 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -2.746 -6.688 3.049 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -5.030 -9.862 4.738 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -0.679 -7.749 3.849 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -2.966 -10.928 5.535 1.00 6.39 H new ATOM 0 HZ PHE A 103 -0.784 -9.877 5.085 1.00 6.50 H new ATOM 632 N ALA A 104 -6.962 -9.804 1.823 1.00 8.21 N ATOM 633 CA ALA A 104 -7.254 -11.214 1.605 1.00 9.59 C ATOM 634 C ALA A 104 -7.416 -11.519 0.121 1.00 10.06 C ATOM 635 O ALA A 104 -6.926 -12.538 -0.374 1.00 10.71 O ATOM 636 CB ALA A 104 -8.508 -11.621 2.365 1.00 10.13 C ATOM 0 H ALA A 104 -7.759 -9.258 2.151 1.00 8.21 H new ATOM 0 HA ALA A 104 -6.410 -11.793 1.981 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -8.712 -12.678 2.191 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -8.359 -11.451 3.431 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -9.353 -11.026 2.018 1.00 10.13 H new ATOM 642 N GLY A 105 -8.105 -10.637 -0.587 1.00 9.88 N ATOM 643 CA GLY A 105 -8.314 -10.828 -2.007 1.00 10.43 C ATOM 644 C GLY A 105 -9.770 -10.723 -2.404 1.00 10.44 C ATOM 645 O GLY A 105 -10.217 -11.387 -3.343 1.00 11.29 O ATOM 0 H GLY A 105 -8.524 -9.790 -0.202 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -7.737 -10.085 -2.558 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -7.932 -11.807 -2.297 1.00 10.43 H new ATOM 649 N GLY A 106 -10.515 -9.894 -1.690 1.00 9.61 N ATOM 650 CA GLY A 106 -11.917 -9.709 -1.994 1.00 9.65 C ATOM 651 C GLY A 106 -12.807 -10.128 -0.847 1.00 9.16 C ATOM 652 O GLY A 106 -12.421 -10.019 0.315 1.00 8.46 O ATOM 0 H GLY A 106 -10.172 -9.344 -0.902 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -12.101 -8.661 -2.231 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -12.174 -10.287 -2.882 1.00 9.65 H new ATOM 656 N ALA A 107 -13.994 -10.617 -1.170 1.00 9.69 N ATOM 657 CA ALA A 107 -14.941 -11.054 -0.159 1.00 9.44 C ATOM 658 C ALA A 107 -14.963 -12.575 -0.071 1.00 10.28 C ATOM 659 O ALA A 107 -15.505 -13.246 -0.951 1.00 11.13 O ATOM 660 CB ALA A 107 -16.331 -10.516 -0.469 1.00 9.49 C ATOM 0 H ALA A 107 -14.325 -10.721 -2.129 1.00 9.69 H new ATOM 0 HA ALA A 107 -14.625 -10.659 0.807 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -17.030 -10.852 0.297 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -16.304 -9.426 -0.484 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -16.655 -10.884 -1.442 1.00 9.49 H new ATOM 666 N PRO A 108 -14.337 -13.143 0.973 1.00 10.24 N ATOM 667 CA PRO A 108 -14.291 -14.592 1.179 1.00 11.19 C ATOM 668 C PRO A 108 -15.670 -15.165 1.482 1.00 11.68 C ATOM 669 O PRO A 108 -16.333 -14.661 2.411 1.00 12.15 O ATOM 670 CB PRO A 108 -13.360 -14.769 2.388 1.00 11.08 C ATOM 671 CG PRO A 108 -12.661 -13.462 2.546 1.00 10.16 C ATOM 672 CD PRO A 108 -13.613 -12.423 2.029 1.00 9.48 C ATOM 673 OXT PRO A 108 -16.088 -16.114 0.783 1.00 11.71 O ATOM 0 HA PRO A 108 -13.943 -15.117 0.289 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -13.925 -15.023 3.285 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -12.648 -15.577 2.220 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -12.410 -13.277 3.590 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -11.726 -13.449 1.986 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -14.285 -12.066 2.809 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -13.088 -11.552 1.638 1.00 9.48 H new TER 681 PRO A 108 ATOM 682 N MET B 1 19.441 1.246 5.527 1.00 3.94 N ATOM 683 CA MET B 1 18.643 2.030 6.496 1.00 3.71 C ATOM 684 C MET B 1 17.399 1.253 6.899 1.00 3.30 C ATOM 685 O MET B 1 16.929 0.386 6.161 1.00 3.21 O ATOM 686 CB MET B 1 18.259 3.397 5.917 1.00 3.98 C ATOM 687 CG MET B 1 17.322 3.335 4.724 1.00 3.93 C ATOM 688 SD MET B 1 17.020 4.962 4.008 1.00 4.45 S ATOM 689 CE MET B 1 15.847 4.556 2.721 1.00 4.38 C ATOM 0 H1 MET B 1 20.030 1.890 4.961 1.00 3.94 H new ATOM 0 H2 MET B 1 20.052 0.579 6.040 1.00 3.94 H new ATOM 0 H3 MET B 1 18.803 0.718 4.898 1.00 3.94 H new ATOM 0 HA MET B 1 19.254 2.202 7.382 1.00 3.71 H new ATOM 0 HB2 MET B 1 17.789 3.991 6.701 1.00 3.98 H new ATOM 0 HB3 MET B 1 19.168 3.921 5.622 1.00 3.98 H new ATOM 0 HG2 MET B 1 17.747 2.679 3.964 1.00 3.93 H new ATOM 0 HG3 MET B 1 16.374 2.894 5.032 1.00 3.93 H new ATOM 0 HE1 MET B 1 15.340 5.463 2.392 1.00 4.38 H new ATOM 0 HE2 MET B 1 16.373 4.108 1.878 1.00 4.38 H new ATOM 0 HE3 MET B 1 15.113 3.849 3.108 1.00 4.38 H new ATOM 701 N GLN B 2 16.873 1.568 8.072 1.00 3.23 N ATOM 702 CA GLN B 2 15.699 0.891 8.596 1.00 3.03 C ATOM 703 C GLN B 2 14.404 1.548 8.121 1.00 2.89 C ATOM 704 O GLN B 2 14.180 2.744 8.332 1.00 3.18 O ATOM 705 CB GLN B 2 15.747 0.874 10.127 1.00 3.32 C ATOM 706 CG GLN B 2 14.441 0.446 10.779 1.00 3.40 C ATOM 707 CD GLN B 2 14.542 0.365 12.288 1.00 3.92 C ATOM 708 OE1 GLN B 2 14.768 -0.706 12.852 1.00 4.23 O ATOM 709 NE2 GLN B 2 14.383 1.499 12.951 1.00 4.19 N ATOM 0 H GLN B 2 17.245 2.295 8.683 1.00 3.23 H new ATOM 0 HA GLN B 2 15.709 -0.131 8.217 1.00 3.03 H new ATOM 0 HB2 GLN B 2 16.541 0.200 10.449 1.00 3.32 H new ATOM 0 HB3 GLN B 2 16.011 1.870 10.484 1.00 3.32 H new ATOM 0 HG2 GLN B 2 13.656 1.152 10.509 1.00 3.40 H new ATOM 0 HG3 GLN B 2 14.145 -0.526 10.386 1.00 3.40 H new ATOM 0 HE21 GLN B 2 14.197 2.364 12.444 1.00 4.19 H new ATOM 0 HE22 GLN B 2 14.446 1.508 13.969 1.00 4.19 H new ATOM 718 N ILE B 3 13.565 0.756 7.471 1.00 2.59 N ATOM 719 CA ILE B 3 12.273 1.223 6.990 1.00 2.46 C ATOM 720 C ILE B 3 11.188 0.297 7.518 1.00 2.37 C ATOM 721 O ILE B 3 11.468 -0.849 7.878 1.00 2.51 O ATOM 722 CB ILE B 3 12.190 1.267 5.447 1.00 2.36 C ATOM 723 CG1 ILE B 3 12.345 -0.139 4.863 1.00 2.27 C ATOM 724 CG2 ILE B 3 13.247 2.205 4.876 1.00 2.82 C ATOM 725 CD1 ILE B 3 11.703 -0.304 3.503 1.00 2.38 C ATOM 0 H ILE B 3 13.759 -0.224 7.263 1.00 2.59 H new ATOM 0 HA ILE B 3 12.137 2.242 7.352 1.00 2.46 H new ATOM 0 HB ILE B 3 11.209 1.651 5.167 1.00 2.36 H new ATOM 0 HG12 ILE B 3 13.406 -0.376 4.786 1.00 2.27 H new ATOM 0 HG13 ILE B 3 11.906 -0.860 5.553 1.00 2.27 H new ATOM 0 HG21 ILE B 3 13.170 2.221 3.789 1.00 2.82 H new ATOM 0 HG22 ILE B 3 13.089 3.211 5.265 1.00 2.82 H new ATOM 0 HG23 ILE B 3 14.238 1.855 5.165 1.00 2.82 H new ATOM 0 HD11 ILE B 3 11.853 -1.325 3.151 1.00 2.38 H new ATOM 0 HD12 ILE B 3 10.635 -0.099 3.577 1.00 2.38 H new ATOM 0 HD13 ILE B 3 12.158 0.393 2.799 1.00 2.38 H new ATOM 737 N PHE B 4 9.963 0.784 7.577 1.00 2.37 N ATOM 738 CA PHE B 4 8.860 -0.024 8.068 1.00 2.50 C ATOM 739 C PHE B 4 7.859 -0.273 6.953 1.00 2.11 C ATOM 740 O PHE B 4 7.312 0.667 6.382 1.00 1.98 O ATOM 741 CB PHE B 4 8.173 0.664 9.251 1.00 3.07 C ATOM 742 CG PHE B 4 9.112 1.001 10.373 1.00 3.52 C ATOM 743 CD1 PHE B 4 9.769 0.000 11.070 1.00 3.82 C ATOM 744 CD2 PHE B 4 9.334 2.321 10.732 1.00 3.79 C ATOM 745 CE1 PHE B 4 10.634 0.311 12.101 1.00 4.25 C ATOM 746 CE2 PHE B 4 10.199 2.635 11.761 1.00 4.21 C ATOM 747 CZ PHE B 4 10.846 1.629 12.449 1.00 4.39 C ATOM 0 H PHE B 4 9.706 1.729 7.293 1.00 2.37 H new ATOM 0 HA PHE B 4 9.256 -0.981 8.408 1.00 2.50 H new ATOM 0 HB2 PHE B 4 7.694 1.578 8.901 1.00 3.07 H new ATOM 0 HB3 PHE B 4 7.384 0.015 9.630 1.00 3.07 H new ATOM 0 HD1 PHE B 4 9.603 -1.034 10.805 1.00 3.82 H new ATOM 0 HD2 PHE B 4 8.825 3.112 10.201 1.00 3.79 H new ATOM 0 HE1 PHE B 4 11.144 -0.477 12.634 1.00 4.25 H new ATOM 0 HE2 PHE B 4 10.369 3.668 12.027 1.00 4.21 H new ATOM 0 HZ PHE B 4 11.517 1.873 13.259 1.00 4.39 H new ATOM 757 N VAL B 5 7.641 -1.533 6.627 1.00 2.12 N ATOM 758 CA VAL B 5 6.701 -1.885 5.579 1.00 1.86 C ATOM 759 C VAL B 5 5.383 -2.345 6.190 1.00 2.31 C ATOM 760 O VAL B 5 5.225 -3.514 6.549 1.00 2.88 O ATOM 761 CB VAL B 5 7.258 -2.990 4.657 1.00 1.97 C ATOM 762 CG1 VAL B 5 6.423 -3.109 3.392 1.00 1.84 C ATOM 763 CG2 VAL B 5 8.718 -2.725 4.313 1.00 1.92 C ATOM 0 H VAL B 5 8.100 -2.328 7.071 1.00 2.12 H new ATOM 0 HA VAL B 5 6.536 -0.993 4.974 1.00 1.86 H new ATOM 0 HB VAL B 5 7.202 -3.937 5.194 1.00 1.97 H new ATOM 0 HG11 VAL B 5 6.834 -3.894 2.757 1.00 1.84 H new ATOM 0 HG12 VAL B 5 5.395 -3.357 3.657 1.00 1.84 H new ATOM 0 HG13 VAL B 5 6.440 -2.161 2.854 1.00 1.84 H new ATOM 0 HG21 VAL B 5 9.088 -3.517 3.662 1.00 1.92 H new ATOM 0 HG22 VAL B 5 8.803 -1.766 3.802 1.00 1.92 H new ATOM 0 HG23 VAL B 5 9.309 -2.702 5.229 1.00 1.92 H new ATOM 773 N LYS B 6 4.450 -1.415 6.324 1.00 2.22 N ATOM 774 CA LYS B 6 3.147 -1.711 6.900 1.00 2.75 C ATOM 775 C LYS B 6 2.132 -1.953 5.794 1.00 2.53 C ATOM 776 O LYS B 6 1.907 -1.089 4.949 1.00 2.01 O ATOM 777 CB LYS B 6 2.695 -0.555 7.795 1.00 3.10 C ATOM 778 CG LYS B 6 1.400 -0.817 8.550 1.00 3.77 C ATOM 779 CD LYS B 6 1.037 0.365 9.437 1.00 4.23 C ATOM 780 CE LYS B 6 -0.288 0.149 10.148 1.00 4.92 C ATOM 781 NZ LYS B 6 -0.701 1.350 10.924 1.00 5.45 N ATOM 0 H LYS B 6 4.572 -0.443 6.040 1.00 2.22 H new ATOM 0 HA LYS B 6 3.223 -2.613 7.507 1.00 2.75 H new ATOM 0 HB2 LYS B 6 3.484 -0.338 8.515 1.00 3.10 H new ATOM 0 HB3 LYS B 6 2.570 0.337 7.181 1.00 3.10 H new ATOM 0 HG2 LYS B 6 0.594 -1.006 7.841 1.00 3.77 H new ATOM 0 HG3 LYS B 6 1.505 -1.715 9.159 1.00 3.77 H new ATOM 0 HD2 LYS B 6 1.824 0.522 10.174 1.00 4.23 H new ATOM 0 HD3 LYS B 6 0.982 1.270 8.832 1.00 4.23 H new ATOM 0 HE2 LYS B 6 -1.058 -0.093 9.416 1.00 4.92 H new ATOM 0 HE3 LYS B 6 -0.206 -0.706 10.819 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 -1.609 1.164 11.395 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 0.022 1.566 11.640 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 -0.804 2.160 10.280 1.00 5.45 H new ATOM 795 N THR B 7 1.524 -3.129 5.802 1.00 3.04 N ATOM 796 CA THR B 7 0.546 -3.501 4.791 1.00 3.03 C ATOM 797 C THR B 7 -0.744 -2.689 4.915 1.00 3.25 C ATOM 798 O THR B 7 -0.867 -1.612 4.326 1.00 3.60 O ATOM 799 CB THR B 7 0.222 -5.002 4.881 1.00 3.68 C ATOM 800 OG1 THR B 7 0.129 -5.390 6.259 1.00 4.31 O ATOM 801 CG2 THR B 7 1.293 -5.829 4.189 1.00 3.69 C ATOM 0 H THR B 7 1.693 -3.849 6.505 1.00 3.04 H new ATOM 0 HA THR B 7 0.990 -3.281 3.820 1.00 3.03 H new ATOM 0 HB THR B 7 -0.730 -5.182 4.381 1.00 3.68 H new ATOM 0 HG1 THR B 7 -0.680 -5.927 6.394 1.00 4.31 H new ATOM 0 HG21 THR B 7 1.042 -6.887 4.266 1.00 3.69 H new ATOM 0 HG22 THR B 7 1.350 -5.545 3.138 1.00 3.69 H new ATOM 0 HG23 THR B 7 2.256 -5.649 4.666 1.00 3.69 H new ATOM 809 N LEU B 8 -1.694 -3.195 5.694 1.00 3.25 N ATOM 810 CA LEU B 8 -2.975 -2.519 5.875 1.00 3.52 C ATOM 811 C LEU B 8 -3.491 -2.677 7.300 1.00 4.35 C ATOM 812 O LEU B 8 -3.608 -1.699 8.044 1.00 4.72 O ATOM 813 CB LEU B 8 -4.014 -3.071 4.892 1.00 3.31 C ATOM 814 CG LEU B 8 -3.927 -2.530 3.461 1.00 2.62 C ATOM 815 CD1 LEU B 8 -4.922 -3.247 2.559 1.00 2.63 C ATOM 816 CD2 LEU B 8 -4.173 -1.025 3.444 1.00 2.72 C ATOM 0 H LEU B 8 -1.602 -4.070 6.210 1.00 3.25 H new ATOM 0 HA LEU B 8 -2.816 -1.458 5.680 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -3.914 -4.156 4.857 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -5.008 -2.855 5.283 1.00 3.31 H new ATOM 0 HG LEU B 8 -2.923 -2.718 3.081 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -4.847 -2.850 1.547 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -4.700 -4.314 2.548 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -5.933 -3.091 2.936 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -4.108 -0.657 2.420 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -5.165 -0.814 3.843 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -3.422 -0.527 4.057 1.00 2.72 H new ATOM 828 N THR B 9 -3.800 -3.911 7.672 1.00 4.73 N ATOM 829 CA THR B 9 -4.323 -4.210 8.996 1.00 5.55 C ATOM 830 C THR B 9 -3.292 -3.933 10.085 1.00 5.75 C ATOM 831 O THR B 9 -3.620 -3.359 11.123 1.00 6.45 O ATOM 832 CB THR B 9 -4.779 -5.676 9.077 1.00 5.98 C ATOM 833 OG1 THR B 9 -4.894 -6.211 7.749 1.00 5.57 O ATOM 834 CG2 THR B 9 -6.112 -5.796 9.802 1.00 6.63 C ATOM 0 H THR B 9 -3.696 -4.727 7.069 1.00 4.73 H new ATOM 0 HA THR B 9 -5.178 -3.555 9.162 1.00 5.55 H new ATOM 0 HB THR B 9 -4.037 -6.241 9.641 1.00 5.98 H new ATOM 0 HG1 THR B 9 -5.183 -7.146 7.797 1.00 5.57 H new ATOM 0 HG21 THR B 9 -6.410 -6.844 9.844 1.00 6.63 H new ATOM 0 HG22 THR B 9 -6.012 -5.406 10.815 1.00 6.63 H new ATOM 0 HG23 THR B 9 -6.870 -5.225 9.267 1.00 6.63 H new ATOM 842 N GLY B 10 -2.047 -4.326 9.852 1.00 5.22 N ATOM 843 CA GLY B 10 -1.022 -4.086 10.847 1.00 5.46 C ATOM 844 C GLY B 10 0.276 -4.813 10.569 1.00 5.45 C ATOM 845 O GLY B 10 1.301 -4.493 11.170 1.00 5.66 O ATOM 0 H GLY B 10 -1.732 -4.800 9.005 1.00 5.22 H new ATOM 0 HA2 GLY B 10 -0.824 -3.015 10.902 1.00 5.46 H new ATOM 0 HA3 GLY B 10 -1.397 -4.391 11.824 1.00 5.46 H new ATOM 849 N LYS B 11 0.240 -5.791 9.665 1.00 5.32 N ATOM 850 CA LYS B 11 1.437 -6.557 9.328 1.00 5.39 C ATOM 851 C LYS B 11 2.553 -5.634 8.847 1.00 4.77 C ATOM 852 O LYS B 11 2.488 -5.078 7.748 1.00 4.21 O ATOM 853 CB LYS B 11 1.126 -7.615 8.261 1.00 5.58 C ATOM 854 CG LYS B 11 2.356 -8.342 7.738 1.00 5.83 C ATOM 855 CD LYS B 11 1.996 -9.322 6.634 1.00 6.11 C ATOM 856 CE LYS B 11 2.048 -10.758 7.130 1.00 6.82 C ATOM 857 NZ LYS B 11 3.445 -11.256 7.254 1.00 6.90 N ATOM 0 H LYS B 11 -0.599 -6.070 9.156 1.00 5.32 H new ATOM 0 HA LYS B 11 1.774 -7.066 10.231 1.00 5.39 H new ATOM 0 HB2 LYS B 11 0.434 -8.346 8.679 1.00 5.58 H new ATOM 0 HB3 LYS B 11 0.617 -7.135 7.425 1.00 5.58 H new ATOM 0 HG2 LYS B 11 3.076 -7.616 7.361 1.00 5.83 H new ATOM 0 HG3 LYS B 11 2.840 -8.876 8.556 1.00 5.83 H new ATOM 0 HD2 LYS B 11 0.996 -9.100 6.260 1.00 6.11 H new ATOM 0 HD3 LYS B 11 2.684 -9.199 5.797 1.00 6.11 H new ATOM 0 HE2 LYS B 11 1.552 -10.825 8.098 1.00 6.82 H new ATOM 0 HE3 LYS B 11 1.495 -11.399 6.444 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 3.440 -12.294 7.311 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 3.995 -10.957 6.423 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 3.878 -10.865 8.115 1.00 6.90 H new ATOM 871 N THR B 12 3.555 -5.460 9.692 1.00 4.90 N ATOM 872 CA THR B 12 4.694 -4.616 9.381 1.00 4.39 C ATOM 873 C THR B 12 5.961 -5.456 9.342 1.00 4.49 C ATOM 874 O THR B 12 6.420 -5.949 10.371 1.00 5.01 O ATOM 875 CB THR B 12 4.846 -3.500 10.428 1.00 4.56 C ATOM 876 OG1 THR B 12 3.554 -2.956 10.735 1.00 4.81 O ATOM 877 CG2 THR B 12 5.765 -2.394 9.928 1.00 4.02 C ATOM 0 H THR B 12 3.601 -5.899 10.611 1.00 4.90 H new ATOM 0 HA THR B 12 4.529 -4.158 8.406 1.00 4.39 H new ATOM 0 HB THR B 12 5.292 -3.929 11.325 1.00 4.56 H new ATOM 0 HG1 THR B 12 2.949 -3.680 11.002 1.00 4.81 H new ATOM 0 HG21 THR B 12 5.852 -1.620 10.691 1.00 4.02 H new ATOM 0 HG22 THR B 12 6.751 -2.808 9.717 1.00 4.02 H new ATOM 0 HG23 THR B 12 5.351 -1.961 9.017 1.00 4.02 H new ATOM 885 N ILE B 13 6.514 -5.633 8.156 1.00 4.04 N ATOM 886 CA ILE B 13 7.717 -6.434 8.000 1.00 4.20 C ATOM 887 C ILE B 13 8.960 -5.558 7.955 1.00 3.72 C ATOM 888 O ILE B 13 8.909 -4.407 7.508 1.00 3.18 O ATOM 889 CB ILE B 13 7.656 -7.304 6.727 1.00 4.30 C ATOM 890 CG1 ILE B 13 7.529 -6.427 5.479 1.00 3.68 C ATOM 891 CG2 ILE B 13 6.493 -8.281 6.816 1.00 4.88 C ATOM 892 CD1 ILE B 13 7.745 -7.177 4.183 1.00 3.94 C ATOM 0 H ILE B 13 6.152 -5.235 7.289 1.00 4.04 H new ATOM 0 HA ILE B 13 7.775 -7.089 8.869 1.00 4.20 H new ATOM 0 HB ILE B 13 8.583 -7.872 6.649 1.00 4.30 H new ATOM 0 HG12 ILE B 13 6.538 -5.973 5.465 1.00 3.68 H new ATOM 0 HG13 ILE B 13 8.252 -5.614 5.542 1.00 3.68 H new ATOM 0 HG21 ILE B 13 6.459 -8.890 5.913 1.00 4.88 H new ATOM 0 HG22 ILE B 13 6.626 -8.927 7.684 1.00 4.88 H new ATOM 0 HG23 ILE B 13 5.559 -7.727 6.915 1.00 4.88 H new ATOM 0 HD11 ILE B 13 7.639 -6.490 3.343 1.00 3.94 H new ATOM 0 HD12 ILE B 13 8.746 -7.609 4.175 1.00 3.94 H new ATOM 0 HD13 ILE B 13 7.006 -7.973 4.096 1.00 3.94 H new ATOM 904 N THR B 14 10.068 -6.098 8.439 1.00 3.98 N ATOM 905 CA THR B 14 11.327 -5.383 8.434 1.00 3.64 C ATOM 906 C THR B 14 12.060 -5.663 7.129 1.00 3.52 C ATOM 907 O THR B 14 12.120 -6.811 6.678 1.00 3.96 O ATOM 908 CB THR B 14 12.214 -5.796 9.625 1.00 4.07 C ATOM 909 OG1 THR B 14 11.403 -6.087 10.774 1.00 4.66 O ATOM 910 CG2 THR B 14 13.197 -4.692 9.971 1.00 4.07 C ATOM 0 H THR B 14 10.117 -7.034 8.841 1.00 3.98 H new ATOM 0 HA THR B 14 11.116 -4.318 8.525 1.00 3.64 H new ATOM 0 HB THR B 14 12.769 -6.689 9.337 1.00 4.07 H new ATOM 0 HG1 THR B 14 11.978 -6.350 11.523 1.00 4.66 H new ATOM 0 HG21 THR B 14 13.813 -5.004 10.814 1.00 4.07 H new ATOM 0 HG22 THR B 14 13.835 -4.490 9.111 1.00 4.07 H new ATOM 0 HG23 THR B 14 12.650 -3.788 10.237 1.00 4.07 H new ATOM 918 N LEU B 15 12.593 -4.625 6.508 1.00 3.09 N ATOM 919 CA LEU B 15 13.303 -4.790 5.251 1.00 3.19 C ATOM 920 C LEU B 15 14.651 -4.084 5.295 1.00 3.10 C ATOM 921 O LEU B 15 14.796 -3.034 5.927 1.00 2.80 O ATOM 922 CB LEU B 15 12.456 -4.245 4.099 1.00 3.02 C ATOM 923 CG LEU B 15 12.639 -4.959 2.761 1.00 3.52 C ATOM 924 CD1 LEU B 15 12.025 -6.352 2.807 1.00 4.02 C ATOM 925 CD2 LEU B 15 12.022 -4.140 1.637 1.00 3.47 C ATOM 0 H LEU B 15 12.549 -3.665 6.850 1.00 3.09 H new ATOM 0 HA LEU B 15 13.481 -5.853 5.090 1.00 3.19 H new ATOM 0 HB2 LEU B 15 11.405 -4.304 4.383 1.00 3.02 H new ATOM 0 HB3 LEU B 15 12.691 -3.189 3.964 1.00 3.02 H new ATOM 0 HG LEU B 15 13.707 -5.064 2.569 1.00 3.52 H new ATOM 0 HD11 LEU B 15 12.166 -6.844 1.844 1.00 4.02 H new ATOM 0 HD12 LEU B 15 12.510 -6.938 3.588 1.00 4.02 H new ATOM 0 HD13 LEU B 15 10.959 -6.273 3.021 1.00 4.02 H new ATOM 0 HD21 LEU B 15 12.160 -4.661 0.689 1.00 3.47 H new ATOM 0 HD22 LEU B 15 10.957 -4.007 1.826 1.00 3.47 H new ATOM 0 HD23 LEU B 15 12.507 -3.165 1.589 1.00 3.47 H new ATOM 937 N GLU B 16 15.634 -4.674 4.635 1.00 3.49 N ATOM 938 CA GLU B 16 16.970 -4.105 4.583 1.00 3.55 C ATOM 939 C GLU B 16 17.192 -3.434 3.236 1.00 3.81 C ATOM 940 O GLU B 16 17.468 -4.099 2.234 1.00 4.27 O ATOM 941 CB GLU B 16 18.019 -5.193 4.810 1.00 3.90 C ATOM 942 CG GLU B 16 17.842 -5.935 6.126 1.00 3.90 C ATOM 943 CD GLU B 16 18.894 -6.999 6.348 1.00 4.28 C ATOM 944 OE1 GLU B 16 20.048 -6.642 6.671 1.00 4.35 O ATOM 945 OE2 GLU B 16 18.569 -8.199 6.219 1.00 4.63 O ATOM 0 H GLU B 16 15.530 -5.551 4.125 1.00 3.49 H new ATOM 0 HA GLU B 16 17.068 -3.360 5.372 1.00 3.55 H new ATOM 0 HB2 GLU B 16 17.974 -5.908 3.989 1.00 3.90 H new ATOM 0 HB3 GLU B 16 19.011 -4.742 4.786 1.00 3.90 H new ATOM 0 HG2 GLU B 16 17.877 -5.220 6.948 1.00 3.90 H new ATOM 0 HG3 GLU B 16 16.855 -6.397 6.147 1.00 3.90 H new ATOM 952 N VAL B 17 17.040 -2.119 3.203 1.00 3.69 N ATOM 953 CA VAL B 17 17.218 -1.367 1.969 1.00 4.13 C ATOM 954 C VAL B 17 18.092 -0.139 2.186 1.00 4.32 C ATOM 955 O VAL B 17 18.192 0.382 3.299 1.00 4.09 O ATOM 956 CB VAL B 17 15.867 -0.906 1.376 1.00 4.08 C ATOM 957 CG1 VAL B 17 15.032 -2.095 0.927 1.00 4.20 C ATOM 958 CG2 VAL B 17 15.100 -0.064 2.381 1.00 3.58 C ATOM 0 H VAL B 17 16.794 -1.551 4.014 1.00 3.69 H new ATOM 0 HA VAL B 17 17.705 -2.046 1.269 1.00 4.13 H new ATOM 0 HB VAL B 17 16.077 -0.292 0.500 1.00 4.08 H new ATOM 0 HG11 VAL B 17 14.087 -1.741 0.514 1.00 4.20 H new ATOM 0 HG12 VAL B 17 15.575 -2.654 0.164 1.00 4.20 H new ATOM 0 HG13 VAL B 17 14.835 -2.744 1.780 1.00 4.20 H new ATOM 0 HG21 VAL B 17 14.152 0.250 1.944 1.00 3.58 H new ATOM 0 HG22 VAL B 17 14.908 -0.653 3.278 1.00 3.58 H new ATOM 0 HG23 VAL B 17 15.688 0.815 2.643 1.00 3.58 H new ATOM 968 N GLU B 18 18.716 0.315 1.117 1.00 4.88 N ATOM 969 CA GLU B 18 19.563 1.490 1.149 1.00 5.24 C ATOM 970 C GLU B 18 18.861 2.612 0.390 1.00 5.46 C ATOM 971 O GLU B 18 17.891 2.352 -0.315 1.00 5.46 O ATOM 972 CB GLU B 18 20.920 1.170 0.515 1.00 5.81 C ATOM 973 CG GLU B 18 21.739 0.168 1.315 1.00 5.71 C ATOM 974 CD GLU B 18 22.114 0.684 2.688 1.00 5.42 C ATOM 975 OE1 GLU B 18 22.815 1.713 2.768 1.00 5.63 O ATOM 976 OE2 GLU B 18 21.711 0.066 3.696 1.00 5.09 O ATOM 0 H GLU B 18 18.649 -0.123 0.198 1.00 4.88 H new ATOM 0 HA GLU B 18 19.738 1.804 2.178 1.00 5.24 H new ATOM 0 HB2 GLU B 18 20.760 0.778 -0.489 1.00 5.81 H new ATOM 0 HB3 GLU B 18 21.490 2.093 0.410 1.00 5.81 H new ATOM 0 HG2 GLU B 18 21.172 -0.757 1.421 1.00 5.71 H new ATOM 0 HG3 GLU B 18 22.646 -0.077 0.763 1.00 5.71 H new ATOM 983 N PRO B 19 19.309 3.870 0.523 1.00 5.75 N ATOM 984 CA PRO B 19 18.686 5.001 -0.184 1.00 6.08 C ATOM 985 C PRO B 19 18.691 4.824 -1.705 1.00 6.61 C ATOM 986 O PRO B 19 17.811 5.330 -2.405 1.00 6.79 O ATOM 987 CB PRO B 19 19.557 6.195 0.215 1.00 6.47 C ATOM 988 CG PRO B 19 20.214 5.784 1.489 1.00 6.13 C ATOM 989 CD PRO B 19 20.427 4.303 1.378 1.00 5.84 C ATOM 0 HA PRO B 19 17.635 5.111 0.083 1.00 6.08 H new ATOM 0 HB2 PRO B 19 20.295 6.420 -0.555 1.00 6.47 H new ATOM 0 HB3 PRO B 19 18.956 7.094 0.353 1.00 6.47 H new ATOM 0 HG2 PRO B 19 21.161 6.306 1.627 1.00 6.13 H new ATOM 0 HG3 PRO B 19 19.588 6.026 2.348 1.00 6.13 H new ATOM 0 HD2 PRO B 19 21.392 4.067 0.930 1.00 5.84 H new ATOM 0 HD3 PRO B 19 20.401 3.817 2.353 1.00 5.84 H new ATOM 997 N SER B 20 19.676 4.084 -2.206 1.00 6.88 N ATOM 998 CA SER B 20 19.814 3.838 -3.636 1.00 7.46 C ATOM 999 C SER B 20 18.902 2.702 -4.108 1.00 7.30 C ATOM 1000 O SER B 20 18.825 2.414 -5.305 1.00 7.78 O ATOM 1001 CB SER B 20 21.272 3.506 -3.954 1.00 7.90 C ATOM 1002 OG SER B 20 22.114 3.837 -2.856 1.00 7.58 O ATOM 0 H SER B 20 20.396 3.641 -1.635 1.00 6.88 H new ATOM 0 HA SER B 20 19.513 4.741 -4.167 1.00 7.46 H new ATOM 0 HB2 SER B 20 21.367 2.445 -4.184 1.00 7.90 H new ATOM 0 HB3 SER B 20 21.590 4.054 -4.841 1.00 7.90 H new ATOM 0 HG SER B 20 23.043 3.616 -3.078 1.00 7.58 H new ATOM 1008 N ASP B 21 18.213 2.063 -3.169 1.00 6.67 N ATOM 1009 CA ASP B 21 17.313 0.962 -3.499 1.00 6.54 C ATOM 1010 C ASP B 21 16.113 1.465 -4.289 1.00 6.58 C ATOM 1011 O ASP B 21 15.446 2.423 -3.884 1.00 6.35 O ATOM 1012 CB ASP B 21 16.825 0.259 -2.228 1.00 5.90 C ATOM 1013 CG ASP B 21 17.588 -1.013 -1.920 1.00 6.06 C ATOM 1014 OD1 ASP B 21 18.686 -0.929 -1.326 1.00 5.79 O ATOM 1015 OD2 ASP B 21 17.092 -2.108 -2.253 1.00 6.52 O ATOM 0 H ASP B 21 18.260 2.287 -2.175 1.00 6.67 H new ATOM 0 HA ASP B 21 17.870 0.251 -4.109 1.00 6.54 H new ATOM 0 HB2 ASP B 21 16.916 0.943 -1.384 1.00 5.90 H new ATOM 0 HB3 ASP B 21 15.766 0.023 -2.334 1.00 5.90 H new ATOM 1020 N THR B 22 15.854 0.839 -5.426 1.00 6.93 N ATOM 1021 CA THR B 22 14.719 1.211 -6.251 1.00 7.01 C ATOM 1022 C THR B 22 13.456 0.566 -5.703 1.00 6.40 C ATOM 1023 O THR B 22 13.525 -0.468 -5.033 1.00 6.11 O ATOM 1024 CB THR B 22 14.915 0.779 -7.714 1.00 7.68 C ATOM 1025 OG1 THR B 22 15.614 -0.469 -7.764 1.00 7.91 O ATOM 1026 CG2 THR B 22 15.691 1.830 -8.494 1.00 8.28 C ATOM 0 H THR B 22 16.415 0.072 -5.797 1.00 6.93 H new ATOM 0 HA THR B 22 14.630 2.297 -6.226 1.00 7.01 H new ATOM 0 HB THR B 22 13.931 0.666 -8.170 1.00 7.68 H new ATOM 0 HG1 THR B 22 15.734 -0.739 -8.698 1.00 7.91 H new ATOM 0 HG21 THR B 22 15.816 1.499 -9.525 1.00 8.28 H new ATOM 0 HG22 THR B 22 15.144 2.772 -8.479 1.00 8.28 H new ATOM 0 HG23 THR B 22 16.671 1.972 -8.038 1.00 8.28 H new ATOM 1034 N ILE B 23 12.310 1.166 -5.985 1.00 6.25 N ATOM 1035 CA ILE B 23 11.036 0.640 -5.513 1.00 5.69 C ATOM 1036 C ILE B 23 10.821 -0.787 -6.022 1.00 5.85 C ATOM 1037 O ILE B 23 10.258 -1.630 -5.317 1.00 5.45 O ATOM 1038 CB ILE B 23 9.862 1.547 -5.946 1.00 5.64 C ATOM 1039 CG1 ILE B 23 10.063 2.969 -5.404 1.00 5.64 C ATOM 1040 CG2 ILE B 23 8.528 0.976 -5.480 1.00 5.05 C ATOM 1041 CD1 ILE B 23 10.183 3.042 -3.895 1.00 5.05 C ATOM 0 H ILE B 23 12.235 2.019 -6.539 1.00 6.25 H new ATOM 0 HA ILE B 23 11.066 0.622 -4.424 1.00 5.69 H new ATOM 0 HB ILE B 23 9.844 1.588 -7.035 1.00 5.64 H new ATOM 0 HG12 ILE B 23 10.962 3.393 -5.851 1.00 5.64 H new ATOM 0 HG13 ILE B 23 9.225 3.590 -5.722 1.00 5.64 H new ATOM 0 HG21 ILE B 23 7.719 1.634 -5.798 1.00 5.05 H new ATOM 0 HG22 ILE B 23 8.384 -0.013 -5.915 1.00 5.05 H new ATOM 0 HG23 ILE B 23 8.526 0.898 -4.393 1.00 5.05 H new ATOM 0 HD11 ILE B 23 10.323 4.079 -3.591 1.00 5.05 H new ATOM 0 HD12 ILE B 23 9.274 2.649 -3.438 1.00 5.05 H new ATOM 0 HD13 ILE B 23 11.038 2.450 -3.569 1.00 5.05 H new ATOM 1053 N GLU B 24 11.292 -1.060 -7.239 1.00 6.53 N ATOM 1054 CA GLU B 24 11.172 -2.391 -7.825 1.00 6.87 C ATOM 1055 C GLU B 24 11.981 -3.399 -7.014 1.00 6.77 C ATOM 1056 O GLU B 24 11.568 -4.546 -6.835 1.00 6.75 O ATOM 1057 CB GLU B 24 11.655 -2.385 -9.277 1.00 7.65 C ATOM 1058 CG GLU B 24 11.222 -3.609 -10.066 1.00 8.08 C ATOM 1059 CD GLU B 24 11.949 -3.745 -11.384 1.00 8.84 C ATOM 1060 OE1 GLU B 24 11.470 -3.192 -12.394 1.00 9.18 O ATOM 1061 OE2 GLU B 24 13.002 -4.418 -11.418 1.00 9.13 O ATOM 0 H GLU B 24 11.759 -0.377 -7.836 1.00 6.53 H new ATOM 0 HA GLU B 24 10.121 -2.680 -7.807 1.00 6.87 H new ATOM 0 HB2 GLU B 24 11.278 -1.491 -9.773 1.00 7.65 H new ATOM 0 HB3 GLU B 24 12.743 -2.321 -9.289 1.00 7.65 H new ATOM 0 HG2 GLU B 24 11.397 -4.502 -9.466 1.00 8.08 H new ATOM 0 HG3 GLU B 24 10.149 -3.555 -10.252 1.00 8.08 H new ATOM 1068 N ASN B 25 13.137 -2.963 -6.521 1.00 6.77 N ATOM 1069 CA ASN B 25 13.997 -3.826 -5.719 1.00 6.71 C ATOM 1070 C ASN B 25 13.355 -4.076 -4.364 1.00 6.02 C ATOM 1071 O ASN B 25 13.441 -5.174 -3.818 1.00 6.03 O ATOM 1072 CB ASN B 25 15.381 -3.205 -5.521 1.00 6.89 C ATOM 1073 CG ASN B 25 16.435 -4.249 -5.208 1.00 7.03 C ATOM 1074 OD1 ASN B 25 16.488 -5.305 -5.840 1.00 7.36 O ATOM 1075 ND2 ASN B 25 17.271 -3.975 -4.223 1.00 6.86 N ATOM 0 H ASN B 25 13.499 -2.020 -6.663 1.00 6.77 H new ATOM 0 HA ASN B 25 14.118 -4.769 -6.252 1.00 6.71 H new ATOM 0 HB2 ASN B 25 15.666 -2.661 -6.422 1.00 6.89 H new ATOM 0 HB3 ASN B 25 15.339 -2.478 -4.710 1.00 6.89 H new ATOM 0 HD21 ASN B 25 17.991 -4.649 -3.963 1.00 6.86 H new ATOM 0 HD22 ASN B 25 17.196 -3.090 -3.722 1.00 6.86 H new ATOM 1082 N VAL B 26 12.711 -3.041 -3.832 1.00 5.50 N ATOM 1083 CA VAL B 26 12.025 -3.137 -2.550 1.00 4.81 C ATOM 1084 C VAL B 26 10.956 -4.225 -2.615 1.00 4.82 C ATOM 1085 O VAL B 26 10.865 -5.080 -1.732 1.00 4.68 O ATOM 1086 CB VAL B 26 11.375 -1.790 -2.158 1.00 4.33 C ATOM 1087 CG1 VAL B 26 10.592 -1.913 -0.860 1.00 3.62 C ATOM 1088 CG2 VAL B 26 12.430 -0.701 -2.037 1.00 4.48 C ATOM 0 H VAL B 26 12.651 -2.123 -4.272 1.00 5.50 H new ATOM 0 HA VAL B 26 12.763 -3.392 -1.790 1.00 4.81 H new ATOM 0 HB VAL B 26 10.677 -1.515 -2.949 1.00 4.33 H new ATOM 0 HG11 VAL B 26 10.147 -0.950 -0.611 1.00 3.62 H new ATOM 0 HG12 VAL B 26 9.804 -2.657 -0.979 1.00 3.62 H new ATOM 0 HG13 VAL B 26 11.263 -2.221 -0.058 1.00 3.62 H new ATOM 0 HG21 VAL B 26 11.953 0.239 -1.761 1.00 4.48 H new ATOM 0 HG22 VAL B 26 13.154 -0.979 -1.271 1.00 4.48 H new ATOM 0 HG23 VAL B 26 12.941 -0.581 -2.993 1.00 4.48 H new ATOM 1098 N LYS B 27 10.177 -4.200 -3.690 1.00 5.10 N ATOM 1099 CA LYS B 27 9.119 -5.178 -3.900 1.00 5.22 C ATOM 1100 C LYS B 27 9.699 -6.583 -4.011 1.00 5.78 C ATOM 1101 O LYS B 27 9.140 -7.541 -3.475 1.00 5.83 O ATOM 1102 CB LYS B 27 8.333 -4.846 -5.166 1.00 5.53 C ATOM 1103 CG LYS B 27 7.522 -3.568 -5.063 1.00 5.06 C ATOM 1104 CD LYS B 27 6.778 -3.287 -6.355 1.00 5.45 C ATOM 1105 CE LYS B 27 5.941 -2.026 -6.253 1.00 5.06 C ATOM 1106 NZ LYS B 27 5.183 -1.767 -7.504 1.00 5.50 N ATOM 0 H LYS B 27 10.260 -3.507 -4.434 1.00 5.10 H new ATOM 0 HA LYS B 27 8.448 -5.141 -3.042 1.00 5.22 H new ATOM 0 HB2 LYS B 27 9.027 -4.759 -6.002 1.00 5.53 H new ATOM 0 HB3 LYS B 27 7.662 -5.674 -5.394 1.00 5.53 H new ATOM 0 HG2 LYS B 27 6.811 -3.650 -4.241 1.00 5.06 H new ATOM 0 HG3 LYS B 27 8.182 -2.732 -4.831 1.00 5.06 H new ATOM 0 HD2 LYS B 27 7.492 -3.186 -7.172 1.00 5.45 H new ATOM 0 HD3 LYS B 27 6.135 -4.133 -6.597 1.00 5.45 H new ATOM 0 HE2 LYS B 27 5.246 -2.117 -5.419 1.00 5.06 H new ATOM 0 HE3 LYS B 27 6.588 -1.176 -6.037 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 4.350 -1.181 -7.291 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 5.793 -1.267 -8.182 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 4.874 -2.671 -7.916 1.00 5.50 H new ATOM 1120 N ALA B 28 10.829 -6.692 -4.706 1.00 6.27 N ATOM 1121 CA ALA B 28 11.500 -7.973 -4.890 1.00 6.84 C ATOM 1122 C ALA B 28 11.922 -8.559 -3.550 1.00 6.63 C ATOM 1123 O ALA B 28 11.803 -9.764 -3.321 1.00 6.99 O ATOM 1124 CB ALA B 28 12.708 -7.811 -5.801 1.00 7.35 C ATOM 0 H ALA B 28 11.299 -5.904 -5.152 1.00 6.27 H new ATOM 0 HA ALA B 28 10.798 -8.663 -5.359 1.00 6.84 H new ATOM 0 HB1 ALA B 28 13.199 -8.776 -5.929 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.384 -7.437 -6.772 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.408 -7.104 -5.355 1.00 7.35 H new ATOM 1130 N LYS B 29 12.406 -7.697 -2.664 1.00 6.10 N ATOM 1131 CA LYS B 29 12.834 -8.121 -1.339 1.00 5.90 C ATOM 1132 C LYS B 29 11.627 -8.545 -0.505 1.00 5.68 C ATOM 1133 O LYS B 29 11.690 -9.514 0.252 1.00 5.96 O ATOM 1134 CB LYS B 29 13.605 -6.998 -0.641 1.00 5.38 C ATOM 1135 CG LYS B 29 14.933 -6.666 -1.311 1.00 5.69 C ATOM 1136 CD LYS B 29 15.636 -5.503 -0.627 1.00 5.31 C ATOM 1137 CE LYS B 29 17.069 -5.362 -1.113 1.00 5.69 C ATOM 1138 NZ LYS B 29 17.723 -4.139 -0.583 1.00 5.63 N ATOM 0 H LYS B 29 12.512 -6.698 -2.841 1.00 6.10 H new ATOM 0 HA LYS B 29 13.500 -8.978 -1.444 1.00 5.90 H new ATOM 0 HB2 LYS B 29 12.985 -6.102 -0.618 1.00 5.38 H new ATOM 0 HB3 LYS B 29 13.791 -7.284 0.394 1.00 5.38 H new ATOM 0 HG2 LYS B 29 15.579 -7.544 -1.292 1.00 5.69 H new ATOM 0 HG3 LYS B 29 14.760 -6.421 -2.359 1.00 5.69 H new ATOM 0 HD2 LYS B 29 15.091 -4.580 -0.823 1.00 5.31 H new ATOM 0 HD3 LYS B 29 15.629 -5.655 0.452 1.00 5.31 H new ATOM 0 HE2 LYS B 29 17.642 -6.239 -0.810 1.00 5.69 H new ATOM 0 HE3 LYS B 29 17.080 -5.335 -2.203 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 18.745 -4.184 -0.768 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 17.323 -3.301 -1.051 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 17.559 -4.074 0.442 1.00 5.63 H new ATOM 1152 N ILE B 30 10.522 -7.822 -0.658 1.00 5.27 N ATOM 1153 CA ILE B 30 9.299 -8.148 0.065 1.00 5.11 C ATOM 1154 C ILE B 30 8.743 -9.479 -0.432 1.00 5.80 C ATOM 1155 O ILE B 30 8.366 -10.346 0.356 1.00 6.03 O ATOM 1156 CB ILE B 30 8.229 -7.043 -0.097 1.00 4.53 C ATOM 1157 CG1 ILE B 30 8.712 -5.743 0.554 1.00 3.87 C ATOM 1158 CG2 ILE B 30 6.899 -7.483 0.507 1.00 4.48 C ATOM 1159 CD1 ILE B 30 7.870 -4.532 0.206 1.00 3.34 C ATOM 0 H ILE B 30 10.449 -7.011 -1.273 1.00 5.27 H new ATOM 0 HA ILE B 30 9.547 -8.223 1.124 1.00 5.11 H new ATOM 0 HB ILE B 30 8.073 -6.866 -1.161 1.00 4.53 H new ATOM 0 HG12 ILE B 30 8.717 -5.871 1.637 1.00 3.87 H new ATOM 0 HG13 ILE B 30 9.742 -5.557 0.250 1.00 3.87 H new ATOM 0 HG21 ILE B 30 6.162 -6.690 0.381 1.00 4.48 H new ATOM 0 HG22 ILE B 30 6.551 -8.385 0.003 1.00 4.48 H new ATOM 0 HG23 ILE B 30 7.032 -7.689 1.569 1.00 4.48 H new ATOM 0 HD11 ILE B 30 8.275 -3.652 0.705 1.00 3.34 H new ATOM 0 HD12 ILE B 30 7.884 -4.377 -0.873 1.00 3.34 H new ATOM 0 HD13 ILE B 30 6.844 -4.695 0.535 1.00 3.34 H new ATOM 1171 N GLN B 31 8.731 -9.646 -1.747 1.00 6.20 N ATOM 1172 CA GLN B 31 8.244 -10.870 -2.371 1.00 6.89 C ATOM 1173 C GLN B 31 9.104 -12.056 -1.947 1.00 7.42 C ATOM 1174 O GLN B 31 8.610 -13.171 -1.774 1.00 7.92 O ATOM 1175 CB GLN B 31 8.270 -10.717 -3.896 1.00 7.24 C ATOM 1176 CG GLN B 31 7.932 -11.989 -4.662 1.00 7.96 C ATOM 1177 CD GLN B 31 8.374 -11.919 -6.113 1.00 8.43 C ATOM 1178 OE1 GLN B 31 9.353 -11.248 -6.442 1.00 8.42 O ATOM 1179 NE2 GLN B 31 7.652 -12.599 -6.988 1.00 8.89 N ATOM 0 H GLN B 31 9.056 -8.942 -2.409 1.00 6.20 H new ATOM 0 HA GLN B 31 7.219 -11.051 -2.048 1.00 6.89 H new ATOM 0 HB2 GLN B 31 7.565 -9.937 -4.183 1.00 7.24 H new ATOM 0 HB3 GLN B 31 9.261 -10.378 -4.198 1.00 7.24 H new ATOM 0 HG2 GLN B 31 8.411 -12.840 -4.179 1.00 7.96 H new ATOM 0 HG3 GLN B 31 6.857 -12.162 -4.619 1.00 7.96 H new ATOM 0 HE21 GLN B 31 6.848 -13.143 -6.673 1.00 8.89 H new ATOM 0 HE22 GLN B 31 7.899 -12.580 -7.977 1.00 8.89 H new ATOM 1188 N ASP B 32 10.385 -11.786 -1.747 1.00 7.32 N ATOM 1189 CA ASP B 32 11.350 -12.806 -1.359 1.00 7.80 C ATOM 1190 C ASP B 32 11.028 -13.431 -0.001 1.00 7.78 C ATOM 1191 O ASP B 32 11.147 -14.644 0.165 1.00 8.36 O ATOM 1192 CB ASP B 32 12.755 -12.206 -1.330 1.00 7.68 C ATOM 1193 CG ASP B 32 13.813 -13.216 -0.937 1.00 8.20 C ATOM 1194 OD1 ASP B 32 13.926 -14.258 -1.614 1.00 8.79 O ATOM 1195 OD2 ASP B 32 14.550 -12.963 0.040 1.00 8.05 O ATOM 0 H ASP B 32 10.786 -10.854 -1.849 1.00 7.32 H new ATOM 0 HA ASP B 32 11.296 -13.601 -2.103 1.00 7.80 H new ATOM 0 HB2 ASP B 32 12.993 -11.800 -2.313 1.00 7.68 H new ATOM 0 HB3 ASP B 32 12.775 -11.372 -0.628 1.00 7.68 H new ATOM 1200 N LYS B 33 10.602 -12.619 0.961 1.00 7.19 N ATOM 1201 CA LYS B 33 10.308 -13.145 2.297 1.00 7.24 C ATOM 1202 C LYS B 33 8.808 -13.339 2.555 1.00 7.31 C ATOM 1203 O LYS B 33 8.425 -14.219 3.325 1.00 7.78 O ATOM 1204 CB LYS B 33 10.914 -12.245 3.383 1.00 6.67 C ATOM 1205 CG LYS B 33 10.510 -10.779 3.291 1.00 5.91 C ATOM 1206 CD LYS B 33 10.790 -10.038 4.595 1.00 5.41 C ATOM 1207 CE LYS B 33 12.276 -10.013 4.926 1.00 5.44 C ATOM 1208 NZ LYS B 33 12.535 -9.520 6.306 1.00 5.21 N ATOM 0 H LYS B 33 10.454 -11.616 0.850 1.00 7.19 H new ATOM 0 HA LYS B 33 10.769 -14.132 2.340 1.00 7.24 H new ATOM 0 HB2 LYS B 33 10.620 -12.629 4.360 1.00 6.67 H new ATOM 0 HB3 LYS B 33 12.000 -12.313 3.328 1.00 6.67 H new ATOM 0 HG2 LYS B 33 11.054 -10.301 2.476 1.00 5.91 H new ATOM 0 HG3 LYS B 33 9.449 -10.707 3.051 1.00 5.91 H new ATOM 0 HD2 LYS B 33 10.418 -9.016 4.519 1.00 5.41 H new ATOM 0 HD3 LYS B 33 10.245 -10.516 5.409 1.00 5.41 H new ATOM 0 HE2 LYS B 33 12.688 -11.016 4.817 1.00 5.44 H new ATOM 0 HE3 LYS B 33 12.795 -9.376 4.211 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 13.451 -9.883 6.638 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 12.554 -8.480 6.305 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 11.781 -9.852 6.940 1.00 5.21 H new ATOM 1222 N GLU B 34 7.965 -12.531 1.927 1.00 6.89 N ATOM 1223 CA GLU B 34 6.521 -12.638 2.135 1.00 6.93 C ATOM 1224 C GLU B 34 5.860 -13.536 1.095 1.00 7.47 C ATOM 1225 O GLU B 34 4.939 -14.289 1.409 1.00 7.85 O ATOM 1226 CB GLU B 34 5.874 -11.253 2.108 1.00 6.19 C ATOM 1227 CG GLU B 34 6.217 -10.397 3.316 1.00 5.76 C ATOM 1228 CD GLU B 34 5.766 -11.025 4.617 1.00 6.20 C ATOM 1229 OE1 GLU B 34 4.544 -11.077 4.864 1.00 6.35 O ATOM 1230 OE2 GLU B 34 6.633 -11.472 5.401 1.00 6.48 O ATOM 0 H GLU B 34 8.249 -11.800 1.275 1.00 6.89 H new ATOM 0 HA GLU B 34 6.369 -13.092 3.114 1.00 6.93 H new ATOM 0 HB2 GLU B 34 6.188 -10.732 1.203 1.00 6.19 H new ATOM 0 HB3 GLU B 34 4.792 -11.368 2.050 1.00 6.19 H new ATOM 0 HG2 GLU B 34 7.294 -10.235 3.349 1.00 5.76 H new ATOM 0 HG3 GLU B 34 5.751 -9.418 3.208 1.00 5.76 H new ATOM 1237 N GLY B 35 6.319 -13.447 -0.144 1.00 7.55 N ATOM 1238 CA GLY B 35 5.750 -14.256 -1.207 1.00 8.09 C ATOM 1239 C GLY B 35 4.766 -13.474 -2.051 1.00 7.80 C ATOM 1240 O GLY B 35 4.384 -13.910 -3.138 1.00 8.21 O ATOM 0 H GLY B 35 7.076 -12.829 -0.435 1.00 7.55 H new ATOM 0 HA2 GLY B 35 6.551 -14.635 -1.842 1.00 8.09 H new ATOM 0 HA3 GLY B 35 5.249 -15.122 -0.775 1.00 8.09 H new ATOM 1244 N ILE B 36 4.364 -12.316 -1.546 1.00 7.10 N ATOM 1245 CA ILE B 36 3.414 -11.453 -2.236 1.00 6.77 C ATOM 1246 C ILE B 36 4.011 -10.928 -3.540 1.00 6.83 C ATOM 1247 O ILE B 36 5.046 -10.264 -3.525 1.00 6.60 O ATOM 1248 CB ILE B 36 3.005 -10.255 -1.350 1.00 5.99 C ATOM 1249 CG1 ILE B 36 2.557 -10.746 0.030 1.00 6.04 C ATOM 1250 CG2 ILE B 36 1.895 -9.448 -2.016 1.00 5.67 C ATOM 1251 CD1 ILE B 36 2.538 -9.660 1.084 1.00 5.35 C ATOM 0 H ILE B 36 4.685 -11.949 -0.650 1.00 7.10 H new ATOM 0 HA ILE B 36 2.530 -12.052 -2.455 1.00 6.77 H new ATOM 0 HB ILE B 36 3.871 -9.605 -1.225 1.00 5.99 H new ATOM 0 HG12 ILE B 36 1.559 -11.177 -0.053 1.00 6.04 H new ATOM 0 HG13 ILE B 36 3.223 -11.545 0.356 1.00 6.04 H new ATOM 0 HG21 ILE B 36 1.621 -8.609 -1.376 1.00 5.67 H new ATOM 0 HG22 ILE B 36 2.245 -9.072 -2.977 1.00 5.67 H new ATOM 0 HG23 ILE B 36 1.024 -10.085 -2.171 1.00 5.67 H new ATOM 0 HD11 ILE B 36 2.211 -10.081 2.035 1.00 5.35 H new ATOM 0 HD12 ILE B 36 3.539 -9.245 1.196 1.00 5.35 H new ATOM 0 HD13 ILE B 36 1.850 -8.871 0.781 1.00 5.35 H new ATOM 1263 N PRO B 37 3.377 -11.234 -4.683 1.00 7.22 N ATOM 1264 CA PRO B 37 3.850 -10.784 -5.998 1.00 7.44 C ATOM 1265 C PRO B 37 3.953 -9.262 -6.084 1.00 6.84 C ATOM 1266 O PRO B 37 3.081 -8.551 -5.583 1.00 6.32 O ATOM 1267 CB PRO B 37 2.776 -11.291 -6.967 1.00 7.86 C ATOM 1268 CG PRO B 37 2.098 -12.402 -6.245 1.00 8.10 C ATOM 1269 CD PRO B 37 2.151 -12.045 -4.788 1.00 7.57 C ATOM 0 HA PRO B 37 4.850 -11.160 -6.215 1.00 7.44 H new ATOM 0 HB2 PRO B 37 2.072 -10.500 -7.224 1.00 7.86 H new ATOM 0 HB3 PRO B 37 3.219 -11.639 -7.900 1.00 7.86 H new ATOM 0 HG2 PRO B 37 1.067 -12.514 -6.582 1.00 8.10 H new ATOM 0 HG3 PRO B 37 2.599 -13.352 -6.432 1.00 8.10 H new ATOM 0 HD2 PRO B 37 1.269 -11.483 -4.479 1.00 7.57 H new ATOM 0 HD3 PRO B 37 2.201 -12.933 -4.158 1.00 7.57 H new ATOM 1277 N PRO B 38 5.013 -8.741 -6.732 1.00 6.95 N ATOM 1278 CA PRO B 38 5.223 -7.294 -6.885 1.00 6.54 C ATOM 1279 C PRO B 38 4.043 -6.613 -7.572 1.00 6.45 C ATOM 1280 O PRO B 38 3.777 -5.432 -7.352 1.00 5.97 O ATOM 1281 CB PRO B 38 6.480 -7.198 -7.754 1.00 7.04 C ATOM 1282 CG PRO B 38 7.180 -8.496 -7.554 1.00 7.43 C ATOM 1283 CD PRO B 38 6.098 -9.519 -7.359 1.00 7.57 C ATOM 0 HA PRO B 38 5.323 -6.793 -5.922 1.00 6.54 H new ATOM 0 HB2 PRO B 38 6.225 -7.043 -8.802 1.00 7.04 H new ATOM 0 HB3 PRO B 38 7.107 -6.359 -7.451 1.00 7.04 H new ATOM 0 HG2 PRO B 38 7.800 -8.742 -8.416 1.00 7.43 H new ATOM 0 HG3 PRO B 38 7.840 -8.455 -6.687 1.00 7.43 H new ATOM 0 HD2 PRO B 38 5.784 -9.959 -8.305 1.00 7.57 H new ATOM 0 HD3 PRO B 38 6.428 -10.338 -6.720 1.00 7.57 H new ATOM 1291 N ASP B 39 3.336 -7.377 -8.398 1.00 6.95 N ATOM 1292 CA ASP B 39 2.166 -6.878 -9.117 1.00 6.96 C ATOM 1293 C ASP B 39 1.044 -6.517 -8.143 1.00 6.32 C ATOM 1294 O ASP B 39 0.222 -5.639 -8.411 1.00 6.07 O ATOM 1295 CB ASP B 39 1.688 -7.934 -10.119 1.00 7.65 C ATOM 1296 CG ASP B 39 0.324 -7.628 -10.703 1.00 7.66 C ATOM 1297 OD1 ASP B 39 0.160 -6.559 -11.330 1.00 7.61 O ATOM 1298 OD2 ASP B 39 -0.588 -8.460 -10.543 1.00 7.79 O ATOM 0 H ASP B 39 3.555 -8.355 -8.588 1.00 6.95 H new ATOM 0 HA ASP B 39 2.445 -5.974 -9.658 1.00 6.96 H new ATOM 0 HB2 ASP B 39 2.414 -8.012 -10.929 1.00 7.65 H new ATOM 0 HB3 ASP B 39 1.655 -8.905 -9.626 1.00 7.65 H new ATOM 1303 N GLN B 40 1.028 -7.188 -7.001 1.00 6.12 N ATOM 1304 CA GLN B 40 0.020 -6.937 -5.981 1.00 5.59 C ATOM 1305 C GLN B 40 0.533 -5.923 -4.967 1.00 4.88 C ATOM 1306 O GLN B 40 -0.220 -5.426 -4.136 1.00 4.41 O ATOM 1307 CB GLN B 40 -0.344 -8.231 -5.255 1.00 5.92 C ATOM 1308 CG GLN B 40 -1.106 -9.229 -6.107 1.00 6.60 C ATOM 1309 CD GLN B 40 -1.359 -10.536 -5.379 1.00 7.04 C ATOM 1310 OE1 GLN B 40 -1.412 -11.597 -5.992 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -1.517 -10.469 -4.067 1.00 6.80 N ATOM 0 H GLN B 40 1.703 -7.912 -6.757 1.00 6.12 H new ATOM 0 HA GLN B 40 -0.867 -6.540 -6.475 1.00 5.59 H new ATOM 0 HB2 GLN B 40 0.571 -8.702 -4.894 1.00 5.92 H new ATOM 0 HB3 GLN B 40 -0.944 -7.986 -4.378 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -2.059 -8.793 -6.408 1.00 6.60 H new ATOM 0 HG3 GLN B 40 -0.544 -9.427 -7.020 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -1.466 -9.567 -3.593 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -1.690 -11.319 -3.530 1.00 6.80 H new ATOM 1320 N GLN B 41 1.816 -5.615 -5.043 1.00 4.86 N ATOM 1321 CA GLN B 41 2.422 -4.679 -4.114 1.00 4.24 C ATOM 1322 C GLN B 41 2.258 -3.242 -4.592 1.00 3.92 C ATOM 1323 O GLN B 41 2.999 -2.775 -5.455 1.00 4.35 O ATOM 1324 CB GLN B 41 3.907 -4.989 -3.933 1.00 4.48 C ATOM 1325 CG GLN B 41 4.193 -6.370 -3.363 1.00 4.79 C ATOM 1326 CD GLN B 41 5.658 -6.553 -3.033 1.00 4.88 C ATOM 1327 OE1 GLN B 41 6.335 -5.612 -2.634 1.00 4.46 O ATOM 1328 NE2 GLN B 41 6.161 -7.764 -3.201 1.00 5.46 N ATOM 0 H GLN B 41 2.457 -5.999 -5.737 1.00 4.86 H new ATOM 0 HA GLN B 41 1.911 -4.788 -3.158 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.406 -4.897 -4.898 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.345 -4.239 -3.274 1.00 4.48 H new ATOM 0 HG2 GLN B 41 3.597 -6.522 -2.463 1.00 4.79 H new ATOM 0 HG3 GLN B 41 3.885 -7.130 -4.081 1.00 4.79 H new ATOM 0 HE21 GLN B 41 5.565 -8.522 -3.535 1.00 5.46 H new ATOM 0 HE22 GLN B 41 7.145 -7.941 -2.997 1.00 5.46 H new ATOM 1337 N ARG B 42 1.274 -2.550 -4.044 1.00 3.29 N ATOM 1338 CA ARG B 42 1.039 -1.161 -4.391 1.00 3.09 C ATOM 1339 C ARG B 42 1.589 -0.279 -3.278 1.00 2.49 C ATOM 1340 O ARG B 42 0.870 0.090 -2.346 1.00 1.91 O ATOM 1341 CB ARG B 42 -0.452 -0.893 -4.603 1.00 2.97 C ATOM 1342 CG ARG B 42 -0.728 0.323 -5.471 1.00 3.22 C ATOM 1343 CD ARG B 42 -2.164 0.799 -5.329 1.00 3.19 C ATOM 1344 NE ARG B 42 -2.431 1.343 -3.997 1.00 3.24 N ATOM 1345 CZ ARG B 42 -3.641 1.399 -3.441 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -4.712 0.990 -4.113 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -3.784 1.897 -2.219 1.00 3.59 N ATOM 0 H ARG B 42 0.624 -2.929 -3.355 1.00 3.29 H new ATOM 0 HA ARG B 42 1.548 -0.932 -5.328 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -0.910 -1.769 -5.062 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -0.930 -0.754 -3.633 1.00 2.97 H new ATOM 0 HG2 ARG B 42 -0.048 1.129 -5.195 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -0.527 0.079 -6.514 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -2.369 1.562 -6.080 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -2.842 -0.031 -5.524 1.00 3.19 H new ATOM 0 HE ARG B 42 -1.641 1.702 -3.460 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -4.612 0.630 -5.062 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -5.634 1.036 -3.680 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -2.969 2.236 -1.708 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -4.709 1.941 -1.791 1.00 3.59 H new ATOM 1361 N LEU B 43 2.877 0.028 -3.370 1.00 2.72 N ATOM 1362 CA LEU B 43 3.549 0.844 -2.367 1.00 2.34 C ATOM 1363 C LEU B 43 3.169 2.312 -2.491 1.00 2.51 C ATOM 1364 O LEU B 43 3.435 2.954 -3.511 1.00 3.16 O ATOM 1365 CB LEU B 43 5.066 0.690 -2.489 1.00 2.69 C ATOM 1366 CG LEU B 43 5.655 -0.547 -1.809 1.00 2.62 C ATOM 1367 CD1 LEU B 43 7.084 -0.775 -2.270 1.00 3.19 C ATOM 1368 CD2 LEU B 43 5.606 -0.400 -0.294 1.00 2.03 C ATOM 0 H LEU B 43 3.480 -0.278 -4.134 1.00 2.72 H new ATOM 0 HA LEU B 43 3.225 0.493 -1.387 1.00 2.34 H new ATOM 0 HB2 LEU B 43 5.328 0.662 -3.547 1.00 2.69 H new ATOM 0 HB3 LEU B 43 5.540 1.576 -2.067 1.00 2.69 H new ATOM 0 HG LEU B 43 5.055 -1.412 -2.092 1.00 2.62 H new ATOM 0 HD11 LEU B 43 7.489 -1.659 -1.777 1.00 3.19 H new ATOM 0 HD12 LEU B 43 7.099 -0.923 -3.350 1.00 3.19 H new ATOM 0 HD13 LEU B 43 7.692 0.093 -2.015 1.00 3.19 H new ATOM 0 HD21 LEU B 43 6.029 -1.290 0.172 1.00 2.03 H new ATOM 0 HD22 LEU B 43 6.182 0.475 0.005 1.00 2.03 H new ATOM 0 HD23 LEU B 43 4.571 -0.280 0.027 1.00 2.03 H new ATOM 1380 N ILE B 44 2.535 2.830 -1.451 1.00 2.10 N ATOM 1381 CA ILE B 44 2.121 4.223 -1.421 1.00 2.55 C ATOM 1382 C ILE B 44 2.684 4.901 -0.177 1.00 2.73 C ATOM 1383 O ILE B 44 2.760 4.288 0.891 1.00 2.37 O ATOM 1384 CB ILE B 44 0.583 4.370 -1.420 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -0.062 3.443 -2.459 1.00 2.20 C ATOM 1386 CG2 ILE B 44 0.187 5.818 -1.683 1.00 3.04 C ATOM 1387 CD1 ILE B 44 0.192 3.854 -3.896 1.00 2.92 C ATOM 0 H ILE B 44 2.295 2.302 -0.612 1.00 2.10 H new ATOM 0 HA ILE B 44 2.508 4.697 -2.323 1.00 2.55 H new ATOM 0 HB ILE B 44 0.218 4.079 -0.435 1.00 2.35 H new ATOM 0 HG12 ILE B 44 0.313 2.431 -2.310 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -1.138 3.413 -2.285 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -0.900 5.905 -1.679 1.00 3.04 H new ATOM 0 HG22 ILE B 44 0.605 6.457 -0.905 1.00 3.04 H new ATOM 0 HG23 ILE B 44 0.572 6.130 -2.654 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -0.297 3.149 -4.568 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -0.209 4.853 -4.065 1.00 2.92 H new ATOM 0 HD13 ILE B 44 1.265 3.856 -4.090 1.00 2.92 H new ATOM 1399 N PHE B 45 3.097 6.151 -0.321 1.00 3.41 N ATOM 1400 CA PHE B 45 3.646 6.901 0.796 1.00 3.75 C ATOM 1401 C PHE B 45 2.927 8.237 0.953 1.00 4.37 C ATOM 1402 O PHE B 45 3.249 9.210 0.272 1.00 4.85 O ATOM 1403 CB PHE B 45 5.146 7.124 0.592 1.00 3.98 C ATOM 1404 CG PHE B 45 5.867 7.571 1.832 1.00 4.33 C ATOM 1405 CD1 PHE B 45 5.738 6.864 3.018 1.00 4.10 C ATOM 1406 CD2 PHE B 45 6.674 8.697 1.815 1.00 5.00 C ATOM 1407 CE1 PHE B 45 6.404 7.267 4.158 1.00 4.54 C ATOM 1408 CE2 PHE B 45 7.343 9.106 2.952 1.00 5.37 C ATOM 1409 CZ PHE B 45 7.205 8.390 4.126 1.00 5.14 C ATOM 0 H PHE B 45 3.062 6.666 -1.200 1.00 3.41 H new ATOM 0 HA PHE B 45 3.496 6.324 1.708 1.00 3.75 H new ATOM 0 HB2 PHE B 45 5.596 6.198 0.235 1.00 3.98 H new ATOM 0 HB3 PHE B 45 5.290 7.870 -0.190 1.00 3.98 H new ATOM 0 HD1 PHE B 45 5.109 5.987 3.050 1.00 4.10 H new ATOM 0 HD2 PHE B 45 6.781 9.262 0.901 1.00 5.00 H new ATOM 0 HE1 PHE B 45 6.298 6.704 5.074 1.00 4.54 H new ATOM 0 HE2 PHE B 45 7.972 9.983 2.924 1.00 5.37 H new ATOM 0 HZ PHE B 45 7.724 8.709 5.018 1.00 5.14 H new ATOM 1419 N ALA B 46 1.925 8.255 1.830 1.00 4.47 N ATOM 1420 CA ALA B 46 1.142 9.458 2.117 1.00 5.11 C ATOM 1421 C ALA B 46 0.509 10.050 0.858 1.00 5.25 C ATOM 1422 O ALA B 46 0.553 11.263 0.629 1.00 5.80 O ATOM 1423 CB ALA B 46 2.003 10.495 2.826 1.00 5.68 C ATOM 0 H ALA B 46 1.632 7.436 2.363 1.00 4.47 H new ATOM 0 HA ALA B 46 0.325 9.165 2.777 1.00 5.11 H new ATOM 0 HB1 ALA B 46 1.406 11.384 3.032 1.00 5.68 H new ATOM 0 HB2 ALA B 46 2.373 10.081 3.764 1.00 5.68 H new ATOM 0 HB3 ALA B 46 2.846 10.764 2.190 1.00 5.68 H new ATOM 1429 N GLY B 47 -0.085 9.192 0.044 1.00 4.86 N ATOM 1430 CA GLY B 47 -0.725 9.649 -1.173 1.00 5.04 C ATOM 1431 C GLY B 47 0.183 9.595 -2.383 1.00 5.20 C ATOM 1432 O GLY B 47 -0.289 9.647 -3.519 1.00 5.50 O ATOM 0 H GLY B 47 -0.136 8.186 0.204 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -1.608 9.039 -1.362 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -1.070 10.673 -1.031 1.00 5.04 H new ATOM 1436 N LYS B 48 1.482 9.482 -2.145 1.00 5.13 N ATOM 1437 CA LYS B 48 2.457 9.430 -3.227 1.00 5.44 C ATOM 1438 C LYS B 48 2.683 7.995 -3.689 1.00 4.89 C ATOM 1439 O LYS B 48 3.133 7.152 -2.914 1.00 4.41 O ATOM 1440 CB LYS B 48 3.783 10.041 -2.766 1.00 6.05 C ATOM 1441 CG LYS B 48 3.654 11.468 -2.253 1.00 6.75 C ATOM 1442 CD LYS B 48 4.860 11.872 -1.419 1.00 7.32 C ATOM 1443 CE LYS B 48 4.767 13.324 -0.975 1.00 7.40 C ATOM 1444 NZ LYS B 48 6.026 13.801 -0.341 1.00 7.95 N ATOM 0 H LYS B 48 1.887 9.424 -1.210 1.00 5.13 H new ATOM 0 HA LYS B 48 2.065 10.004 -4.067 1.00 5.44 H new ATOM 0 HB2 LYS B 48 4.205 9.418 -1.978 1.00 6.05 H new ATOM 0 HB3 LYS B 48 4.488 10.025 -3.597 1.00 6.05 H new ATOM 0 HG2 LYS B 48 3.548 12.151 -3.096 1.00 6.75 H new ATOM 0 HG3 LYS B 48 2.748 11.560 -1.653 1.00 6.75 H new ATOM 0 HD2 LYS B 48 4.932 11.226 -0.544 1.00 7.32 H new ATOM 0 HD3 LYS B 48 5.771 11.725 -1.999 1.00 7.32 H new ATOM 0 HE2 LYS B 48 4.536 13.951 -1.836 1.00 7.40 H new ATOM 0 HE3 LYS B 48 3.943 13.434 -0.270 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 5.916 14.795 -0.055 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 6.235 13.221 0.496 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 6.809 13.721 -1.021 1.00 7.95 H new ATOM 1458 N GLN B 49 2.339 7.713 -4.940 1.00 5.05 N ATOM 1459 CA GLN B 49 2.535 6.384 -5.504 1.00 4.73 C ATOM 1460 C GLN B 49 4.007 6.186 -5.837 1.00 5.12 C ATOM 1461 O GLN B 49 4.585 6.960 -6.601 1.00 5.81 O ATOM 1462 CB GLN B 49 1.680 6.200 -6.761 1.00 4.93 C ATOM 1463 CG GLN B 49 1.975 4.912 -7.519 1.00 4.85 C ATOM 1464 CD GLN B 49 1.321 4.869 -8.886 1.00 5.12 C ATOM 1465 OE1 GLN B 49 1.858 5.395 -9.861 1.00 5.27 O ATOM 1466 NE2 GLN B 49 0.168 4.224 -8.975 1.00 5.36 N ATOM 0 H GLN B 49 1.923 8.387 -5.583 1.00 5.05 H new ATOM 0 HA GLN B 49 2.227 5.639 -4.770 1.00 4.73 H new ATOM 0 HB2 GLN B 49 0.627 6.212 -6.479 1.00 4.93 H new ATOM 0 HB3 GLN B 49 1.841 7.048 -7.427 1.00 4.93 H new ATOM 0 HG2 GLN B 49 3.053 4.803 -7.634 1.00 4.85 H new ATOM 0 HG3 GLN B 49 1.630 4.062 -6.930 1.00 4.85 H new ATOM 0 HE21 GLN B 49 -0.245 3.801 -8.144 1.00 5.36 H new ATOM 0 HE22 GLN B 49 -0.307 4.150 -9.875 1.00 5.36 H new ATOM 1475 N LEU B 50 4.611 5.157 -5.261 1.00 4.71 N ATOM 1476 CA LEU B 50 6.019 4.877 -5.495 1.00 5.07 C ATOM 1477 C LEU B 50 6.198 4.084 -6.785 1.00 5.51 C ATOM 1478 O LEU B 50 5.783 2.927 -6.878 1.00 5.29 O ATOM 1479 CB LEU B 50 6.619 4.112 -4.311 1.00 4.53 C ATOM 1480 CG LEU B 50 6.262 4.659 -2.925 1.00 4.10 C ATOM 1481 CD1 LEU B 50 6.971 3.863 -1.842 1.00 3.66 C ATOM 1482 CD2 LEU B 50 6.615 6.137 -2.818 1.00 4.69 C ATOM 0 H LEU B 50 4.149 4.503 -4.629 1.00 4.71 H new ATOM 0 HA LEU B 50 6.546 5.826 -5.596 1.00 5.07 H new ATOM 0 HB2 LEU B 50 6.292 3.074 -4.368 1.00 4.53 H new ATOM 0 HB3 LEU B 50 7.704 4.111 -4.414 1.00 4.53 H new ATOM 0 HG LEU B 50 5.186 4.556 -2.784 1.00 4.10 H new ATOM 0 HD11 LEU B 50 6.707 4.264 -0.864 1.00 3.66 H new ATOM 0 HD12 LEU B 50 6.666 2.818 -1.900 1.00 3.66 H new ATOM 0 HD13 LEU B 50 8.049 3.935 -1.985 1.00 3.66 H new ATOM 0 HD21 LEU B 50 6.352 6.503 -1.825 1.00 4.69 H new ATOM 0 HD22 LEU B 50 7.685 6.268 -2.982 1.00 4.69 H new ATOM 0 HD23 LEU B 50 6.061 6.699 -3.570 1.00 4.69 H new ATOM 1494 N GLU B 51 6.796 4.722 -7.781 1.00 6.21 N ATOM 1495 CA GLU B 51 7.032 4.088 -9.068 1.00 6.75 C ATOM 1496 C GLU B 51 8.209 3.118 -8.973 1.00 6.81 C ATOM 1497 O GLU B 51 9.249 3.445 -8.404 1.00 6.81 O ATOM 1498 CB GLU B 51 7.295 5.154 -10.135 1.00 7.48 C ATOM 1499 CG GLU B 51 7.543 4.587 -11.524 1.00 8.08 C ATOM 1500 CD GLU B 51 7.976 5.639 -12.522 1.00 8.74 C ATOM 1501 OE1 GLU B 51 9.192 5.894 -12.631 1.00 9.08 O ATOM 1502 OE2 GLU B 51 7.108 6.203 -13.217 1.00 9.03 O ATOM 0 H GLU B 51 7.128 5.685 -7.720 1.00 6.21 H new ATOM 0 HA GLU B 51 6.145 3.522 -9.353 1.00 6.75 H new ATOM 0 HB2 GLU B 51 6.442 5.831 -10.177 1.00 7.48 H new ATOM 0 HB3 GLU B 51 8.159 5.748 -9.836 1.00 7.48 H new ATOM 0 HG2 GLU B 51 8.309 3.814 -11.464 1.00 8.08 H new ATOM 0 HG3 GLU B 51 6.633 4.107 -11.882 1.00 8.08 H new ATOM 1509 N ASP B 52 8.029 1.935 -9.550 1.00 6.95 N ATOM 1510 CA ASP B 52 9.039 0.870 -9.534 1.00 7.11 C ATOM 1511 C ASP B 52 10.405 1.340 -10.029 1.00 7.68 C ATOM 1512 O ASP B 52 11.441 0.921 -9.508 1.00 7.65 O ATOM 1513 CB ASP B 52 8.579 -0.302 -10.401 1.00 7.41 C ATOM 1514 CG ASP B 52 7.590 -1.207 -9.696 1.00 6.92 C ATOM 1515 OD1 ASP B 52 8.027 -2.133 -8.976 1.00 6.84 O ATOM 1516 OD2 ASP B 52 6.373 -1.000 -9.851 1.00 6.71 O ATOM 0 H ASP B 52 7.175 1.681 -10.046 1.00 6.95 H new ATOM 0 HA ASP B 52 9.148 0.563 -8.494 1.00 7.11 H new ATOM 0 HB2 ASP B 52 8.124 0.084 -11.313 1.00 7.41 H new ATOM 0 HB3 ASP B 52 9.448 -0.887 -10.702 1.00 7.41 H new ATOM 1521 N GLY B 53 10.406 2.212 -11.028 1.00 8.21 N ATOM 1522 CA GLY B 53 11.652 2.701 -11.591 1.00 8.81 C ATOM 1523 C GLY B 53 12.316 3.797 -10.773 1.00 8.72 C ATOM 1524 O GLY B 53 13.450 4.182 -11.064 1.00 9.22 O ATOM 0 H GLY B 53 9.564 2.591 -11.461 1.00 8.21 H new ATOM 0 HA2 GLY B 53 12.346 1.866 -11.690 1.00 8.81 H new ATOM 0 HA3 GLY B 53 11.461 3.078 -12.596 1.00 8.81 H new ATOM 1528 N ARG B 54 11.636 4.296 -9.752 1.00 8.14 N ATOM 1529 CA ARG B 54 12.194 5.361 -8.927 1.00 8.09 C ATOM 1530 C ARG B 54 12.900 4.795 -7.702 1.00 7.60 C ATOM 1531 O ARG B 54 12.768 3.613 -7.382 1.00 7.21 O ATOM 1532 CB ARG B 54 11.101 6.341 -8.488 1.00 7.88 C ATOM 1533 CG ARG B 54 10.407 7.049 -9.642 1.00 8.41 C ATOM 1534 CD ARG B 54 11.394 7.775 -10.540 1.00 9.15 C ATOM 1535 NE ARG B 54 11.468 7.146 -11.856 1.00 9.64 N ATOM 1536 CZ ARG B 54 12.567 7.104 -12.607 1.00 10.23 C ATOM 1537 NH1 ARG B 54 13.685 7.695 -12.197 1.00 10.39 N ATOM 1538 NH2 ARG B 54 12.540 6.480 -13.778 1.00 10.70 N ATOM 0 H ARG B 54 10.705 3.985 -9.475 1.00 8.14 H new ATOM 0 HA ARG B 54 12.925 5.895 -9.534 1.00 8.09 H new ATOM 0 HB2 ARG B 54 10.355 5.801 -7.905 1.00 7.88 H new ATOM 0 HB3 ARG B 54 11.541 7.089 -7.828 1.00 7.88 H new ATOM 0 HG2 ARG B 54 9.849 6.321 -10.231 1.00 8.41 H new ATOM 0 HG3 ARG B 54 9.683 7.762 -9.247 1.00 8.41 H new ATOM 0 HD2 ARG B 54 11.094 8.817 -10.648 1.00 9.15 H new ATOM 0 HD3 ARG B 54 12.381 7.774 -10.077 1.00 9.15 H new ATOM 0 HE ARG B 54 10.622 6.710 -12.224 1.00 9.64 H new ATOM 0 HH11 ARG B 54 13.705 8.184 -11.302 1.00 10.39 H new ATOM 0 HH12 ARG B 54 14.523 7.659 -12.777 1.00 10.39 H new ATOM 0 HH21 ARG B 54 11.680 6.035 -14.099 1.00 10.70 H new ATOM 0 HH22 ARG B 54 13.379 6.445 -14.357 1.00 10.70 H new ATOM 1552 N THR B 55 13.649 5.651 -7.025 1.00 7.68 N ATOM 1553 CA THR B 55 14.381 5.262 -5.832 1.00 7.27 C ATOM 1554 C THR B 55 13.714 5.843 -4.594 1.00 6.76 C ATOM 1555 O THR B 55 12.819 6.682 -4.699 1.00 6.83 O ATOM 1556 CB THR B 55 15.848 5.735 -5.891 1.00 7.75 C ATOM 1557 OG1 THR B 55 15.916 7.092 -6.356 1.00 8.25 O ATOM 1558 CG2 THR B 55 16.670 4.840 -6.803 1.00 8.15 C ATOM 0 H THR B 55 13.766 6.630 -7.286 1.00 7.68 H new ATOM 0 HA THR B 55 14.371 4.173 -5.780 1.00 7.27 H new ATOM 0 HB THR B 55 16.260 5.679 -4.884 1.00 7.75 H new ATOM 0 HG1 THR B 55 15.010 7.426 -6.523 1.00 8.25 H new ATOM 0 HG21 THR B 55 17.701 5.194 -6.828 1.00 8.15 H new ATOM 0 HG22 THR B 55 16.647 3.817 -6.427 1.00 8.15 H new ATOM 0 HG23 THR B 55 16.253 4.866 -7.810 1.00 8.15 H new ATOM 1566 N LEU B 56 14.150 5.405 -3.423 1.00 6.30 N ATOM 1567 CA LEU B 56 13.588 5.891 -2.170 1.00 5.87 C ATOM 1568 C LEU B 56 13.939 7.360 -1.951 1.00 6.39 C ATOM 1569 O LEU B 56 13.183 8.105 -1.327 1.00 6.35 O ATOM 1570 CB LEU B 56 14.093 5.040 -1.003 1.00 5.35 C ATOM 1571 CG LEU B 56 13.652 3.575 -1.042 1.00 4.85 C ATOM 1572 CD1 LEU B 56 14.580 2.710 -0.208 1.00 4.55 C ATOM 1573 CD2 LEU B 56 12.220 3.440 -0.552 1.00 4.34 C ATOM 0 H LEU B 56 14.892 4.713 -3.313 1.00 6.30 H new ATOM 0 HA LEU B 56 12.502 5.808 -2.223 1.00 5.87 H new ATOM 0 HB2 LEU B 56 15.182 5.077 -0.989 1.00 5.35 H new ATOM 0 HB3 LEU B 56 13.747 5.485 -0.070 1.00 5.35 H new ATOM 0 HG LEU B 56 13.702 3.231 -2.075 1.00 4.85 H new ATOM 0 HD11 LEU B 56 14.247 1.673 -0.251 1.00 4.55 H new ATOM 0 HD12 LEU B 56 15.594 2.782 -0.600 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.566 3.053 0.826 1.00 4.55 H new ATOM 0 HD21 LEU B 56 11.921 2.392 -0.586 1.00 4.34 H new ATOM 0 HD22 LEU B 56 12.150 3.804 0.473 1.00 4.34 H new ATOM 0 HD23 LEU B 56 11.560 4.026 -1.191 1.00 4.34 H new ATOM 1585 N SER B 57 15.078 7.777 -2.484 1.00 6.96 N ATOM 1586 CA SER B 57 15.523 9.155 -2.350 1.00 7.54 C ATOM 1587 C SER B 57 14.692 10.101 -3.220 1.00 7.98 C ATOM 1588 O SER B 57 14.642 11.303 -2.964 1.00 8.39 O ATOM 1589 CB SER B 57 17.002 9.258 -2.721 1.00 8.01 C ATOM 1590 OG SER B 57 17.772 8.337 -1.967 1.00 7.91 O ATOM 0 H SER B 57 15.712 7.179 -3.014 1.00 6.96 H new ATOM 0 HA SER B 57 15.386 9.456 -1.311 1.00 7.54 H new ATOM 0 HB2 SER B 57 17.130 9.061 -3.785 1.00 8.01 H new ATOM 0 HB3 SER B 57 17.358 10.272 -2.539 1.00 8.01 H new ATOM 0 HG SER B 57 17.600 7.427 -2.288 1.00 7.91 H new ATOM 1596 N ASP B 58 14.020 9.556 -4.232 1.00 7.94 N ATOM 1597 CA ASP B 58 13.199 10.368 -5.134 1.00 8.36 C ATOM 1598 C ASP B 58 12.020 10.987 -4.400 1.00 8.11 C ATOM 1599 O ASP B 58 11.663 12.143 -4.629 1.00 8.57 O ATOM 1600 CB ASP B 58 12.679 9.530 -6.303 1.00 8.35 C ATOM 1601 CG ASP B 58 13.715 9.329 -7.386 1.00 8.93 C ATOM 1602 OD1 ASP B 58 14.293 10.330 -7.860 1.00 9.53 O ATOM 1603 OD2 ASP B 58 13.959 8.167 -7.769 1.00 8.85 O ATOM 0 H ASP B 58 14.026 8.559 -4.449 1.00 7.94 H new ATOM 0 HA ASP B 58 13.836 11.165 -5.517 1.00 8.36 H new ATOM 0 HB2 ASP B 58 12.355 8.558 -5.931 1.00 8.35 H new ATOM 0 HB3 ASP B 58 11.802 10.016 -6.731 1.00 8.35 H new ATOM 1608 N TYR B 59 11.422 10.215 -3.510 1.00 7.43 N ATOM 1609 CA TYR B 59 10.272 10.679 -2.748 1.00 7.20 C ATOM 1610 C TYR B 59 10.701 11.201 -1.381 1.00 7.19 C ATOM 1611 O TYR B 59 9.864 11.425 -0.507 1.00 6.99 O ATOM 1612 CB TYR B 59 9.254 9.549 -2.593 1.00 6.47 C ATOM 1613 CG TYR B 59 8.812 8.955 -3.909 1.00 6.52 C ATOM 1614 CD1 TYR B 59 7.799 9.548 -4.650 1.00 6.55 C ATOM 1615 CD2 TYR B 59 9.411 7.806 -4.416 1.00 6.66 C ATOM 1616 CE1 TYR B 59 7.394 9.017 -5.858 1.00 6.65 C ATOM 1617 CE2 TYR B 59 9.011 7.270 -5.624 1.00 6.81 C ATOM 1618 CZ TYR B 59 8.002 7.879 -6.340 1.00 6.77 C ATOM 1619 OH TYR B 59 7.599 7.350 -7.543 1.00 6.97 O ATOM 0 H TYR B 59 11.713 9.261 -3.296 1.00 7.43 H new ATOM 0 HA TYR B 59 9.806 11.500 -3.293 1.00 7.20 H new ATOM 0 HB2 TYR B 59 9.687 8.762 -1.975 1.00 6.47 H new ATOM 0 HB3 TYR B 59 8.380 9.927 -2.062 1.00 6.47 H new ATOM 0 HD1 TYR B 59 7.320 10.440 -4.275 1.00 6.55 H new ATOM 0 HD2 TYR B 59 10.200 7.326 -3.856 1.00 6.66 H new ATOM 0 HE1 TYR B 59 6.605 9.491 -6.422 1.00 6.65 H new ATOM 0 HE2 TYR B 59 9.486 6.378 -6.006 1.00 6.81 H new ATOM 0 HH TYR B 59 7.732 8.012 -8.253 1.00 6.97 H new ATOM 1629 N ASN B 60 12.009 11.400 -1.219 1.00 7.47 N ATOM 1630 CA ASN B 60 12.583 11.898 0.033 1.00 7.55 C ATOM 1631 C ASN B 60 12.226 10.977 1.197 1.00 6.85 C ATOM 1632 O ASN B 60 11.807 11.422 2.269 1.00 6.88 O ATOM 1633 CB ASN B 60 12.124 13.337 0.309 1.00 8.14 C ATOM 1634 CG ASN B 60 12.976 14.042 1.355 1.00 8.48 C ATOM 1635 OD1 ASN B 60 12.612 14.112 2.530 1.00 8.51 O ATOM 1636 ND2 ASN B 60 14.121 14.565 0.937 1.00 8.82 N ATOM 0 H ASN B 60 12.699 11.222 -1.949 1.00 7.47 H new ATOM 0 HA ASN B 60 13.668 11.905 -0.070 1.00 7.55 H new ATOM 0 HB2 ASN B 60 12.154 13.907 -0.620 1.00 8.14 H new ATOM 0 HB3 ASN B 60 11.086 13.324 0.642 1.00 8.14 H new ATOM 0 HD21 ASN B 60 14.733 15.045 1.597 1.00 8.82 H new ATOM 0 HD22 ASN B 60 14.389 14.487 -0.044 1.00 8.82 H new ATOM 1643 N ILE B 61 12.384 9.682 0.972 1.00 6.28 N ATOM 1644 CA ILE B 61 12.091 8.691 1.989 1.00 5.59 C ATOM 1645 C ILE B 61 13.346 8.391 2.799 1.00 5.56 C ATOM 1646 O ILE B 61 14.331 7.870 2.271 1.00 5.56 O ATOM 1647 CB ILE B 61 11.545 7.385 1.373 1.00 4.98 C ATOM 1648 CG1 ILE B 61 10.303 7.678 0.524 1.00 5.03 C ATOM 1649 CG2 ILE B 61 11.219 6.373 2.465 1.00 4.29 C ATOM 1650 CD1 ILE B 61 9.900 6.539 -0.387 1.00 4.62 C ATOM 0 H ILE B 61 12.715 9.294 0.089 1.00 6.28 H new ATOM 0 HA ILE B 61 11.321 9.103 2.641 1.00 5.59 H new ATOM 0 HB ILE B 61 12.314 6.957 0.729 1.00 4.98 H new ATOM 0 HG12 ILE B 61 9.470 7.913 1.186 1.00 5.03 H new ATOM 0 HG13 ILE B 61 10.490 8.565 -0.081 1.00 5.03 H new ATOM 0 HG21 ILE B 61 10.835 5.459 2.011 1.00 4.29 H new ATOM 0 HG22 ILE B 61 12.122 6.146 3.032 1.00 4.29 H new ATOM 0 HG23 ILE B 61 10.466 6.790 3.134 1.00 4.29 H new ATOM 0 HD11 ILE B 61 9.014 6.823 -0.954 1.00 4.62 H new ATOM 0 HD12 ILE B 61 10.716 6.317 -1.075 1.00 4.62 H new ATOM 0 HD13 ILE B 61 9.680 5.655 0.211 1.00 4.62 H new ATOM 1662 N GLN B 62 13.314 8.759 4.067 1.00 5.63 N ATOM 1663 CA GLN B 62 14.439 8.534 4.960 1.00 5.66 C ATOM 1664 C GLN B 62 14.181 7.321 5.844 1.00 5.00 C ATOM 1665 O GLN B 62 13.266 6.536 5.586 1.00 4.51 O ATOM 1666 CB GLN B 62 14.673 9.769 5.833 1.00 6.23 C ATOM 1667 CG GLN B 62 15.082 11.003 5.050 1.00 6.94 C ATOM 1668 CD GLN B 62 15.386 12.179 5.952 1.00 7.54 C ATOM 1669 OE1 GLN B 62 14.513 13.002 6.234 1.00 8.05 O ATOM 1670 NE2 GLN B 62 16.621 12.264 6.422 1.00 7.56 N ATOM 0 H GLN B 62 12.516 9.218 4.505 1.00 5.63 H new ATOM 0 HA GLN B 62 15.328 8.348 4.357 1.00 5.66 H new ATOM 0 HB2 GLN B 62 13.761 9.988 6.388 1.00 6.23 H new ATOM 0 HB3 GLN B 62 15.447 9.543 6.567 1.00 6.23 H new ATOM 0 HG2 GLN B 62 15.960 10.774 4.447 1.00 6.94 H new ATOM 0 HG3 GLN B 62 14.283 11.274 4.360 1.00 6.94 H new ATOM 0 HE21 GLN B 62 17.314 11.562 6.164 1.00 7.56 H new ATOM 0 HE22 GLN B 62 16.879 13.032 7.042 1.00 7.56 H new ATOM 1679 N LYS B 63 14.982 7.175 6.884 1.00 5.05 N ATOM 1680 CA LYS B 63 14.825 6.068 7.810 1.00 4.56 C ATOM 1681 C LYS B 63 13.631 6.314 8.731 1.00 4.55 C ATOM 1682 O LYS B 63 13.184 7.455 8.878 1.00 5.02 O ATOM 1683 CB LYS B 63 16.102 5.870 8.631 1.00 4.73 C ATOM 1684 CG LYS B 63 16.596 7.138 9.307 1.00 5.32 C ATOM 1685 CD LYS B 63 17.719 6.845 10.285 1.00 5.47 C ATOM 1686 CE LYS B 63 18.104 8.081 11.083 1.00 6.08 C ATOM 1687 NZ LYS B 63 16.951 8.634 11.844 1.00 6.18 N ATOM 0 H LYS B 63 15.748 7.810 7.109 1.00 5.05 H new ATOM 0 HA LYS B 63 14.641 5.159 7.237 1.00 4.56 H new ATOM 0 HB2 LYS B 63 15.920 5.110 9.391 1.00 4.73 H new ATOM 0 HB3 LYS B 63 16.887 5.487 7.979 1.00 4.73 H new ATOM 0 HG2 LYS B 63 16.944 7.842 8.552 1.00 5.32 H new ATOM 0 HG3 LYS B 63 15.770 7.617 9.833 1.00 5.32 H new ATOM 0 HD2 LYS B 63 17.411 6.053 10.967 1.00 5.47 H new ATOM 0 HD3 LYS B 63 18.589 6.477 9.741 1.00 5.47 H new ATOM 0 HE2 LYS B 63 18.908 7.830 11.775 1.00 6.08 H new ATOM 0 HE3 LYS B 63 18.491 8.843 10.407 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 17.284 9.006 12.756 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 16.510 9.401 11.297 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 16.252 7.882 12.011 1.00 6.18 H new ATOM 1701 N GLU B 64 13.108 5.231 9.310 1.00 4.12 N ATOM 1702 CA GLU B 64 11.959 5.279 10.224 1.00 4.23 C ATOM 1703 C GLU B 64 10.658 5.557 9.478 1.00 4.21 C ATOM 1704 O GLU B 64 9.599 5.680 10.091 1.00 4.54 O ATOM 1705 CB GLU B 64 12.152 6.331 11.322 1.00 4.87 C ATOM 1706 CG GLU B 64 12.858 5.813 12.562 1.00 4.93 C ATOM 1707 CD GLU B 64 14.350 5.650 12.367 1.00 5.11 C ATOM 1708 OE1 GLU B 64 15.052 6.674 12.222 1.00 5.47 O ATOM 1709 OE2 GLU B 64 14.829 4.496 12.377 1.00 5.06 O ATOM 0 H GLU B 64 13.470 4.290 9.159 1.00 4.12 H new ATOM 0 HA GLU B 64 11.894 4.295 10.689 1.00 4.23 H new ATOM 0 HB2 GLU B 64 12.723 7.165 10.914 1.00 4.87 H new ATOM 0 HB3 GLU B 64 11.176 6.723 11.610 1.00 4.87 H new ATOM 0 HG2 GLU B 64 12.678 6.499 13.390 1.00 4.93 H new ATOM 0 HG3 GLU B 64 12.427 4.853 12.845 1.00 4.93 H new ATOM 1716 N SER B 65 10.734 5.646 8.161 1.00 3.91 N ATOM 1717 CA SER B 65 9.555 5.909 7.354 1.00 3.90 C ATOM 1718 C SER B 65 8.747 4.632 7.159 1.00 3.33 C ATOM 1719 O SER B 65 9.296 3.583 6.809 1.00 2.87 O ATOM 1720 CB SER B 65 9.959 6.494 6.003 1.00 4.00 C ATOM 1721 OG SER B 65 10.883 7.557 6.167 1.00 4.61 O ATOM 0 H SER B 65 11.598 5.540 7.629 1.00 3.91 H new ATOM 0 HA SER B 65 8.932 6.635 7.876 1.00 3.90 H new ATOM 0 HB2 SER B 65 10.402 5.715 5.383 1.00 4.00 H new ATOM 0 HB3 SER B 65 9.074 6.854 5.479 1.00 4.00 H new ATOM 0 HG SER B 65 11.719 7.338 5.704 1.00 4.61 H new ATOM 1727 N THR B 66 7.450 4.719 7.409 1.00 3.44 N ATOM 1728 CA THR B 66 6.569 3.579 7.254 1.00 3.03 C ATOM 1729 C THR B 66 5.845 3.640 5.913 1.00 2.64 C ATOM 1730 O THR B 66 4.980 4.487 5.697 1.00 2.95 O ATOM 1731 CB THR B 66 5.538 3.511 8.398 1.00 3.54 C ATOM 1732 OG1 THR B 66 6.203 3.640 9.663 1.00 4.12 O ATOM 1733 CG2 THR B 66 4.767 2.201 8.366 1.00 3.37 C ATOM 0 H THR B 66 6.986 5.572 7.721 1.00 3.44 H new ATOM 0 HA THR B 66 7.184 2.680 7.289 1.00 3.03 H new ATOM 0 HB THR B 66 4.833 4.332 8.264 1.00 3.54 H new ATOM 0 HG1 THR B 66 5.542 3.598 10.386 1.00 4.12 H new ATOM 0 HG21 THR B 66 4.048 2.182 9.185 1.00 3.37 H new ATOM 0 HG22 THR B 66 4.239 2.113 7.417 1.00 3.37 H new ATOM 0 HG23 THR B 66 5.461 1.368 8.474 1.00 3.37 H new ATOM 1741 N LEU B 67 6.220 2.745 5.014 1.00 2.05 N ATOM 1742 CA LEU B 67 5.614 2.677 3.697 1.00 1.73 C ATOM 1743 C LEU B 67 4.378 1.794 3.758 1.00 1.35 C ATOM 1744 O LEU B 67 4.376 0.776 4.451 1.00 1.37 O ATOM 1745 CB LEU B 67 6.612 2.112 2.685 1.00 1.57 C ATOM 1746 CG LEU B 67 7.967 2.823 2.635 1.00 2.08 C ATOM 1747 CD1 LEU B 67 8.982 1.972 1.886 1.00 2.27 C ATOM 1748 CD2 LEU B 67 7.829 4.186 1.977 1.00 2.73 C ATOM 0 H LEU B 67 6.949 2.050 5.176 1.00 2.05 H new ATOM 0 HA LEU B 67 5.329 3.680 3.380 1.00 1.73 H new ATOM 0 HB2 LEU B 67 6.781 1.060 2.915 1.00 1.57 H new ATOM 0 HB3 LEU B 67 6.162 2.154 1.693 1.00 1.57 H new ATOM 0 HG LEU B 67 8.320 2.968 3.656 1.00 2.08 H new ATOM 0 HD11 LEU B 67 9.941 2.490 1.858 1.00 2.27 H new ATOM 0 HD12 LEU B 67 9.101 1.015 2.395 1.00 2.27 H new ATOM 0 HD13 LEU B 67 8.632 1.801 0.868 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.802 4.677 1.950 1.00 2.73 H new ATOM 0 HD22 LEU B 67 7.456 4.063 0.960 1.00 2.73 H new ATOM 0 HD23 LEU B 67 7.130 4.797 2.548 1.00 2.73 H new ATOM 1760 N HIS B 68 3.329 2.181 3.053 1.00 1.33 N ATOM 1761 CA HIS B 68 2.103 1.407 3.056 1.00 1.10 C ATOM 1762 C HIS B 68 2.089 0.410 1.906 1.00 0.56 C ATOM 1763 O HIS B 68 1.930 0.786 0.742 1.00 0.78 O ATOM 1764 CB HIS B 68 0.885 2.323 2.974 1.00 1.57 C ATOM 1765 CG HIS B 68 0.000 2.249 4.178 1.00 2.36 C ATOM 1766 ND1 HIS B 68 -0.515 1.066 4.666 1.00 2.80 N ATOM 1767 CD2 HIS B 68 -0.466 3.223 4.995 1.00 3.18 C ATOM 1768 CE1 HIS B 68 -1.259 1.319 5.727 1.00 3.58 C ATOM 1769 NE2 HIS B 68 -1.246 2.617 5.946 1.00 3.83 N ATOM 0 H HIS B 68 3.302 3.021 2.475 1.00 1.33 H new ATOM 0 HA HIS B 68 2.059 0.853 3.994 1.00 1.10 H new ATOM 0 HB2 HIS B 68 1.222 3.351 2.843 1.00 1.57 H new ATOM 0 HB3 HIS B 68 0.304 2.063 2.089 1.00 1.57 H new ATOM 0 HD1 HIS B 68 -0.347 0.141 4.270 1.00 2.80 H new ATOM 0 HD2 HIS B 68 -0.261 4.280 4.913 1.00 3.18 H new ATOM 0 HE1 HIS B 68 -1.789 0.585 6.316 1.00 3.58 H new ATOM 1778 N LEU B 69 2.265 -0.858 2.244 1.00 0.85 N ATOM 1779 CA LEU B 69 2.265 -1.929 1.259 1.00 1.28 C ATOM 1780 C LEU B 69 0.845 -2.438 1.059 1.00 1.50 C ATOM 1781 O LEU B 69 0.422 -3.412 1.685 1.00 1.96 O ATOM 1782 CB LEU B 69 3.183 -3.071 1.707 1.00 1.92 C ATOM 1783 CG LEU B 69 3.308 -4.232 0.716 1.00 2.60 C ATOM 1784 CD1 LEU B 69 4.131 -3.820 -0.491 1.00 2.68 C ATOM 1785 CD2 LEU B 69 3.921 -5.446 1.393 1.00 3.24 C ATOM 0 H LEU B 69 2.411 -1.173 3.203 1.00 0.85 H new ATOM 0 HA LEU B 69 2.642 -1.541 0.313 1.00 1.28 H new ATOM 0 HB2 LEU B 69 4.177 -2.665 1.894 1.00 1.92 H new ATOM 0 HB3 LEU B 69 2.815 -3.462 2.656 1.00 1.92 H new ATOM 0 HG LEU B 69 2.309 -4.498 0.372 1.00 2.60 H new ATOM 0 HD11 LEU B 69 4.208 -4.659 -1.183 1.00 2.68 H new ATOM 0 HD12 LEU B 69 3.648 -2.980 -0.991 1.00 2.68 H new ATOM 0 HD13 LEU B 69 5.129 -3.524 -0.167 1.00 2.68 H new ATOM 0 HD21 LEU B 69 4.002 -6.261 0.674 1.00 3.24 H new ATOM 0 HD22 LEU B 69 4.913 -5.192 1.767 1.00 3.24 H new ATOM 0 HD23 LEU B 69 3.288 -5.757 2.224 1.00 3.24 H new ATOM 1797 N VAL B 70 0.102 -1.753 0.209 1.00 1.39 N ATOM 1798 CA VAL B 70 -1.275 -2.124 -0.064 1.00 1.60 C ATOM 1799 C VAL B 70 -1.330 -3.260 -1.073 1.00 2.32 C ATOM 1800 O VAL B 70 -0.785 -3.151 -2.172 1.00 2.64 O ATOM 1801 CB VAL B 70 -2.087 -0.928 -0.599 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.554 -1.299 -0.761 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -1.934 0.273 0.322 1.00 0.88 C ATOM 0 H VAL B 70 0.429 -0.935 -0.305 1.00 1.39 H new ATOM 0 HA VAL B 70 -1.716 -2.449 0.878 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.696 -0.661 -1.581 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -4.107 -0.439 -1.140 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -3.644 -2.127 -1.464 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -3.963 -1.597 0.205 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.514 1.109 -0.070 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -2.296 0.016 1.318 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -0.883 0.556 0.380 1.00 0.88 H new ATOM 1813 N LEU B 71 -1.973 -4.351 -0.691 1.00 2.72 N ATOM 1814 CA LEU B 71 -2.105 -5.495 -1.573 1.00 3.42 C ATOM 1815 C LEU B 71 -3.227 -5.253 -2.571 1.00 3.52 C ATOM 1816 O LEU B 71 -4.406 -5.353 -2.241 1.00 3.46 O ATOM 1817 CB LEU B 71 -2.358 -6.774 -0.769 1.00 3.93 C ATOM 1818 CG LEU B 71 -1.099 -7.566 -0.405 1.00 4.27 C ATOM 1819 CD1 LEU B 71 -0.208 -6.770 0.539 1.00 4.40 C ATOM 1820 CD2 LEU B 71 -1.475 -8.897 0.223 1.00 4.99 C ATOM 0 H LEU B 71 -2.411 -4.467 0.223 1.00 2.72 H new ATOM 0 HA LEU B 71 -1.172 -5.625 -2.121 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -2.882 -6.511 0.150 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -3.023 -7.420 -1.342 1.00 3.93 H new ATOM 0 HG LEU B 71 -0.541 -7.755 -1.322 1.00 4.27 H new ATOM 0 HD11 LEU B 71 0.679 -7.355 0.782 1.00 4.40 H new ATOM 0 HD12 LEU B 71 0.092 -5.839 0.058 1.00 4.40 H new ATOM 0 HD13 LEU B 71 -0.756 -6.545 1.454 1.00 4.40 H new ATOM 0 HD21 LEU B 71 -0.570 -9.449 0.476 1.00 4.99 H new ATOM 0 HD22 LEU B 71 -2.058 -8.721 1.127 1.00 4.99 H new ATOM 0 HD23 LEU B 71 -2.068 -9.478 -0.483 1.00 4.99 H new ATOM 1832 N ARG B 72 -2.844 -4.905 -3.788 1.00 3.80 N ATOM 1833 CA ARG B 72 -3.796 -4.632 -4.850 1.00 4.03 C ATOM 1834 C ARG B 72 -4.328 -5.934 -5.441 1.00 4.67 C ATOM 1835 O ARG B 72 -3.958 -6.332 -6.547 1.00 5.21 O ATOM 1836 CB ARG B 72 -3.136 -3.776 -5.935 1.00 4.25 C ATOM 1837 CG ARG B 72 -4.098 -3.288 -7.007 1.00 4.52 C ATOM 1838 CD ARG B 72 -3.372 -2.509 -8.089 1.00 4.87 C ATOM 1839 NE ARG B 72 -2.316 -3.300 -8.719 1.00 5.41 N ATOM 1840 CZ ARG B 72 -1.464 -2.817 -9.621 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -1.528 -1.539 -9.981 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -0.538 -3.605 -10.153 1.00 6.44 N ATOM 0 H ARG B 72 -1.868 -4.804 -4.066 1.00 3.80 H new ATOM 0 HA ARG B 72 -4.639 -4.081 -4.434 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -2.663 -2.913 -5.465 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -2.344 -4.355 -6.409 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -4.612 -4.140 -7.452 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -4.862 -2.657 -6.553 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -4.087 -2.190 -8.847 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -2.940 -1.606 -7.658 1.00 4.87 H new ATOM 0 HE ARG B 72 -2.227 -4.280 -8.452 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -2.231 -0.927 -9.566 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -0.875 -1.171 -10.672 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -0.478 -4.583 -9.871 1.00 6.44 H new ATOM 0 HH22 ARG B 72 0.113 -3.232 -10.844 1.00 6.44 H new ATOM 1856 N LEU B 73 -5.172 -6.605 -4.679 1.00 4.67 N ATOM 1857 CA LEU B 73 -5.770 -7.851 -5.118 1.00 5.30 C ATOM 1858 C LEU B 73 -7.087 -7.575 -5.826 1.00 5.53 C ATOM 1859 O LEU B 73 -7.899 -6.778 -5.356 1.00 5.25 O ATOM 1860 CB LEU B 73 -5.997 -8.784 -3.927 1.00 5.36 C ATOM 1861 CG LEU B 73 -4.813 -9.689 -3.576 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -4.828 -10.042 -2.095 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -4.848 -10.953 -4.424 1.00 6.22 C ATOM 0 H LEU B 73 -5.460 -6.305 -3.748 1.00 4.67 H new ATOM 0 HA LEU B 73 -5.088 -8.339 -5.815 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -6.244 -8.180 -3.054 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -6.864 -9.411 -4.136 1.00 5.36 H new ATOM 0 HG LEU B 73 -3.890 -9.150 -3.789 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -3.979 -10.686 -1.866 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -4.762 -9.129 -1.503 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -5.754 -10.564 -1.855 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -4.001 -11.588 -4.165 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -5.777 -11.492 -4.236 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -4.791 -10.685 -5.479 1.00 6.22 H new ATOM 1875 N ARG B 74 -7.291 -8.221 -6.960 1.00 6.12 N ATOM 1876 CA ARG B 74 -8.513 -8.035 -7.724 1.00 6.46 C ATOM 1877 C ARG B 74 -9.610 -8.929 -7.162 1.00 6.87 C ATOM 1878 O ARG B 74 -9.679 -10.118 -7.481 1.00 7.38 O ATOM 1879 CB ARG B 74 -8.290 -8.336 -9.211 1.00 6.96 C ATOM 1880 CG ARG B 74 -7.303 -7.401 -9.899 1.00 7.09 C ATOM 1881 CD ARG B 74 -5.870 -7.880 -9.732 1.00 7.58 C ATOM 1882 NE ARG B 74 -4.915 -7.041 -10.453 1.00 8.13 N ATOM 1883 CZ ARG B 74 -3.606 -7.289 -10.505 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -3.101 -8.336 -9.867 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -2.801 -6.490 -11.197 1.00 9.16 N ATOM 0 H ARG B 74 -6.628 -8.878 -7.372 1.00 6.12 H new ATOM 0 HA ARG B 74 -8.817 -6.992 -7.638 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -7.933 -9.361 -9.313 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -9.248 -8.279 -9.729 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -7.544 -7.334 -10.960 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -7.402 -6.397 -9.485 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -5.614 -7.889 -8.673 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -5.789 -8.907 -10.089 1.00 7.58 H new ATOM 0 HE ARG B 74 -5.270 -6.220 -10.944 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -3.714 -8.954 -9.335 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -2.099 -8.524 -9.908 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -3.184 -5.684 -11.691 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -1.800 -6.683 -11.235 1.00 9.16 H new ATOM 1899 N GLY B 75 -10.436 -8.363 -6.299 1.00 6.78 N ATOM 1900 CA GLY B 75 -11.517 -9.116 -5.702 1.00 7.22 C ATOM 1901 C GLY B 75 -12.626 -8.215 -5.212 1.00 7.03 C ATOM 1902 O GLY B 75 -12.524 -6.992 -5.310 1.00 7.21 O ATOM 0 H GLY B 75 -10.377 -7.390 -5.999 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -11.916 -9.819 -6.433 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -11.133 -9.705 -4.869 1.00 7.22 H new ATOM 1906 N GLY B 76 -13.683 -8.813 -4.680 1.00 6.90 N ATOM 1907 CA GLY B 76 -14.799 -8.036 -4.189 1.00 6.84 C ATOM 1908 C GLY B 76 -15.796 -7.750 -5.287 1.00 7.02 C ATOM 1909 O GLY B 76 -16.415 -6.671 -5.276 1.00 7.18 O ATOM 1910 OXT GLY B 76 -15.952 -8.604 -6.186 1.00 7.20 O ATOM 0 H GLY B 76 -13.786 -9.823 -4.580 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -15.291 -8.575 -3.379 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -14.435 -7.097 -3.772 1.00 6.84 H new TER 1914 GLY B 76