USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot -107:sc= -13.9! USER MOD Set 1.2: A 103 THR OG1 : rot -20:sc= -7.9! USER MOD Set 2.1: A 93 TYR OH : rot 18:sc= -7.58! USER MOD Set 2.2: A 94 HIS : +bothHN:sc= -27.2! C(o=-35!,f=-35!) USER MOD Set 3.1: A 81 LYS NZ :NH3+ -128:sc= -9.84! (180deg=-12.6!) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0.66 USER MOD Set 4.1: A 69 THR OG1 : rot -62:sc= 1.15 USER MOD Set 4.2: A 70 ASN : amide:sc= -1.82 K(o=-0.67,f=-6.4!) USER MOD Set 5.1: A 62 LYS NZ :NH3+ -178:sc= 0.872 (180deg=-0.175) USER MOD Set 5.2: A 64 TYR OH : rot 50:sc= -4.58! USER MOD Set 6.1: A 48 SER OG : rot -30:sc= -4.05! USER MOD Set 6.2: A 63 HIS : no HD1:sc= -16.6! C(o=-21!,f=-24!) USER MOD Set 7.1: A 5 ASN : amide:sc= -0.257! C(o=0.12!,f=-7.6!) USER MOD Set 7.2: A 45 TYR OH : rot -178:sc= 0.378 USER MOD Set 8.1: A 39 SER OG : rot 91:sc= 0.147! USER MOD Set 8.2: A 44 THR OG1 : rot -165:sc= -7.89! USER MOD Set 8.3: A 46 THR OG1 : rot 65:sc= -5.19! USER MOD Set 8.4: A 65 HIS :FLIP no HE2:sc= -28.4! C(o=-43!,f=-41!) USER MOD Set 9.1: A 13 ASN :FLIP amide:sc= -11.7! C(o=-40!,f=-32!) USER MOD Set 9.2: A 35 MET CE :methyl -136:sc= -20.7! (180deg=-19.8!) USER MOD Set10.1: A 28 THR OG1 : rot 159:sc= 0.332 USER MOD Set10.2: A 30 LYS NZ :NH3+ -167:sc= -0.231! (180deg=-1.99!) USER MOD Single : A 4 ASN : amide:sc= -4.14! C(o=-4.1!,f=-3.9!) USER MOD Single : A 8 THR OG1 : rot 26:sc= 0.948 USER MOD Single : A 9 TYR OH : rot 14:sc= -5.18! USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0614 USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= -0.0583! (180deg=-1.87!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -13.5! (180deg=-16.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -168:sc= -8.48! USER MOD Single : A 52 LYS NZ :NH3+ -139:sc= -2.77 (180deg=-4.06!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00513 USER MOD Single : A 58 ASN :FLIP amide:sc= -10.3! C(o=-13!,f=-10!) USER MOD Single : A 60 CYS SG : rot 180:sc= -9.6! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 99:sc= 0.843! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.641! USER MOD Single : A 77 TYR OH : rot 180:sc= -1.06! USER MOD Single : A 86 SER OG : rot -138:sc= -3.34! USER MOD Single : A 92 GLN :FLIP amide:sc= -11.5! C(o=-13!,f=-12!) USER MOD Single : A 95 GLN : amide:sc=-0.00683 X(o=-0.0068,f=-0.17) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -1.01 F(o=-2.2!,f=-1) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -31:sc= 0.57 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.773 9.580 7.273 1.00 0.00 C HETATM 2 O ACE A 3 -11.882 9.597 8.124 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.850 10.635 7.262 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.823 11.173 6.314 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.824 10.162 7.383 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.682 11.335 8.081 1.00 0.00 H new ATOM 7 N ASN A 4 -12.851 8.651 6.326 1.00 0.00 N ATOM 8 CA ASN A 4 -11.872 7.574 6.229 1.00 0.00 C ATOM 9 C ASN A 4 -10.532 8.101 5.726 1.00 0.00 C ATOM 10 O ASN A 4 -9.640 8.412 6.517 1.00 0.00 O ATOM 11 CB ASN A 4 -12.382 6.475 5.296 1.00 0.00 C ATOM 12 CG ASN A 4 -13.152 5.399 6.036 1.00 0.00 C ATOM 13 OD1 ASN A 4 -13.461 5.544 7.218 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.468 4.313 5.340 1.00 0.00 N ATOM 0 H ASN A 4 -13.582 8.622 5.615 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.728 7.157 7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.023 6.918 4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.537 6.022 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.988 3.556 5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.191 4.236 4.361 1.00 0.00 H new ATOM 21 N ASN A 5 -10.396 8.197 4.409 1.00 0.00 N ATOM 22 CA ASN A 5 -9.164 8.685 3.800 1.00 0.00 C ATOM 23 C ASN A 5 -7.947 8.225 4.587 1.00 0.00 C ATOM 24 O ASN A 5 -8.043 7.367 5.463 1.00 0.00 O ATOM 25 CB ASN A 5 -9.167 10.212 3.730 1.00 0.00 C ATOM 26 CG ASN A 5 -9.372 10.728 2.319 1.00 0.00 C ATOM 27 OD1 ASN A 5 -9.370 9.959 1.358 1.00 0.00 O ATOM 28 ND2 ASN A 5 -9.547 12.038 2.189 1.00 0.00 N ATOM 0 H ASN A 5 -11.124 7.943 3.741 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.111 8.275 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.956 10.600 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.222 10.592 4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.687 12.444 1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.541 12.638 3.014 1.00 0.00 H new ATOM 35 N LEU A 6 -6.803 8.818 4.273 1.00 0.00 N ATOM 36 CA LEU A 6 -5.561 8.491 4.952 1.00 0.00 C ATOM 37 C LEU A 6 -4.567 9.627 4.842 1.00 0.00 C ATOM 38 O LEU A 6 -4.451 10.282 3.807 1.00 0.00 O ATOM 39 CB LEU A 6 -4.938 7.228 4.383 1.00 0.00 C ATOM 40 CG LEU A 6 -5.554 6.732 3.090 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.563 5.841 2.370 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.845 5.994 3.383 1.00 0.00 C ATOM 0 H LEU A 6 -6.712 9.531 3.549 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.804 8.326 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.876 7.409 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.012 6.437 5.129 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.790 7.578 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.004 5.483 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.659 6.408 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.312 4.990 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.282 5.640 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.638 5.143 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.544 6.667 3.879 1.00 0.00 H new ATOM 54 N GLU A 7 -3.854 9.843 5.926 1.00 0.00 N ATOM 55 CA GLU A 7 -2.851 10.891 5.999 1.00 0.00 C ATOM 56 C GLU A 7 -2.018 10.776 7.274 1.00 0.00 C ATOM 57 O GLU A 7 -1.403 11.750 7.710 1.00 0.00 O ATOM 58 CB GLU A 7 -3.516 12.265 5.956 1.00 0.00 C ATOM 59 CG GLU A 7 -4.964 12.245 5.492 1.00 0.00 C ATOM 60 CD GLU A 7 -5.106 12.518 4.008 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.397 13.411 3.499 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.928 11.841 3.355 1.00 0.00 O ATOM 0 H GLU A 7 -3.951 9.299 6.783 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.191 10.774 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.472 12.709 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.943 12.912 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.402 11.274 5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.531 12.990 6.050 1.00 0.00 H new ATOM 69 N THR A 8 -2.008 9.592 7.877 1.00 0.00 N ATOM 70 CA THR A 8 -1.255 9.377 9.107 1.00 0.00 C ATOM 71 C THR A 8 -0.766 7.936 9.215 1.00 0.00 C ATOM 72 O THR A 8 -0.266 7.521 10.260 1.00 0.00 O ATOM 73 CB THR A 8 -2.122 9.725 10.314 1.00 0.00 C ATOM 74 OG1 THR A 8 -1.726 8.977 11.451 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.595 9.468 10.083 1.00 0.00 C ATOM 0 H THR A 8 -2.509 8.771 7.537 1.00 0.00 H new ATOM 0 HA THR A 8 -0.381 10.028 9.086 1.00 0.00 H new ATOM 0 HB THR A 8 -1.976 10.793 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.783 8.726 11.365 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.156 9.736 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.942 10.071 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.750 8.412 9.860 1.00 0.00 H new ATOM 83 N TYR A 9 -0.908 7.177 8.134 1.00 0.00 N ATOM 84 CA TYR A 9 -0.473 5.787 8.124 1.00 0.00 C ATOM 85 C TYR A 9 1.006 5.692 7.807 1.00 0.00 C ATOM 86 O TYR A 9 1.457 6.170 6.766 1.00 0.00 O ATOM 87 CB TYR A 9 -1.274 4.977 7.106 1.00 0.00 C ATOM 88 CG TYR A 9 -2.743 4.926 7.446 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.215 4.026 8.390 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.655 5.794 6.849 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.549 3.982 8.728 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.992 5.758 7.188 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.436 4.850 8.127 1.00 0.00 C ATOM 94 OH TYR A 9 -6.768 4.812 8.466 1.00 0.00 O ATOM 0 H TYR A 9 -1.319 7.500 7.258 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.648 5.374 9.117 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.147 5.414 6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.878 3.962 7.059 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.524 3.348 8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.311 6.504 6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.899 3.270 9.461 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.688 6.438 6.720 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.882 4.287 9.285 1.00 0.00 H new ATOM 104 N GLU A 10 1.759 5.063 8.696 1.00 0.00 N ATOM 105 CA GLU A 10 3.183 4.906 8.476 1.00 0.00 C ATOM 106 C GLU A 10 3.421 4.559 7.022 1.00 0.00 C ATOM 107 O GLU A 10 4.491 4.801 6.475 1.00 0.00 O ATOM 108 CB GLU A 10 3.745 3.794 9.356 1.00 0.00 C ATOM 109 CG GLU A 10 2.669 2.928 9.974 1.00 0.00 C ATOM 110 CD GLU A 10 3.224 1.917 10.958 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.271 2.203 11.577 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.610 0.839 11.112 1.00 0.00 O ATOM 0 H GLU A 10 1.411 4.658 9.565 1.00 0.00 H new ATOM 0 HA GLU A 10 3.685 5.840 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.410 3.168 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.348 4.236 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.944 3.564 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.133 2.403 9.184 1.00 0.00 H new ATOM 119 N TRP A 11 2.406 3.965 6.412 1.00 0.00 N ATOM 120 CA TRP A 11 2.483 3.542 5.031 1.00 0.00 C ATOM 121 C TRP A 11 1.932 4.585 4.061 1.00 0.00 C ATOM 122 O TRP A 11 2.401 4.693 2.930 1.00 0.00 O ATOM 123 CB TRP A 11 1.696 2.255 4.881 1.00 0.00 C ATOM 124 CG TRP A 11 0.342 2.310 5.537 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.016 1.845 6.776 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.845 2.846 4.958 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.363 2.052 6.984 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.891 2.668 5.881 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.119 3.458 3.741 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.192 3.080 5.616 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.408 3.867 3.475 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.432 3.677 4.408 1.00 0.00 C ATOM 0 H TRP A 11 1.512 3.766 6.862 1.00 0.00 H new ATOM 0 HA TRP A 11 3.535 3.399 4.782 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.571 2.034 3.821 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.269 1.434 5.312 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.657 1.385 7.484 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.881 1.789 7.822 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.334 3.611 3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.984 2.934 6.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.631 4.342 2.531 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.432 4.008 4.171 1.00 0.00 H new ATOM 143 N TYR A 12 0.912 5.322 4.481 1.00 0.00 N ATOM 144 CA TYR A 12 0.291 6.311 3.605 1.00 0.00 C ATOM 145 C TYR A 12 1.184 7.511 3.321 1.00 0.00 C ATOM 146 O TYR A 12 1.878 8.024 4.199 1.00 0.00 O ATOM 147 CB TYR A 12 -1.033 6.806 4.176 1.00 0.00 C ATOM 148 CG TYR A 12 -1.771 7.710 3.215 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.382 7.191 2.083 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.844 9.082 3.428 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.049 8.008 1.192 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.509 9.907 2.541 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.110 9.365 1.425 1.00 0.00 C ATOM 154 OH TYR A 12 -3.773 10.183 0.538 1.00 0.00 O ATOM 0 H TYR A 12 0.500 5.257 5.412 1.00 0.00 H new ATOM 0 HA TYR A 12 0.120 5.790 2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.662 5.951 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.847 7.343 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.335 6.128 1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.373 9.510 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.521 7.586 0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.558 10.971 2.721 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.724 11.111 0.849 1.00 0.00 H new ATOM 164 N ASN A 13 1.110 7.967 2.076 1.00 0.00 N ATOM 165 CA ASN A 13 1.847 9.131 1.611 1.00 0.00 C ATOM 166 C ASN A 13 0.944 9.936 0.680 1.00 0.00 C ATOM 167 O ASN A 13 0.434 9.407 -0.308 1.00 0.00 O ATOM 168 CB ASN A 13 3.130 8.707 0.897 1.00 0.00 C ATOM 169 CG ASN A 13 4.298 8.571 1.853 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.309 7.490 2.624 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.182 9.428 1.898 1.00 0.00 N flip ATOM 0 H ASN A 13 0.531 7.534 1.356 1.00 0.00 H new ATOM 0 HA ASN A 13 2.138 9.749 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.965 7.756 0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.375 9.440 0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.134 10.243 1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.962 9.322 2.546 1.00 0.00 H new ATOM 178 N LYS A 14 0.707 11.198 1.021 1.00 0.00 N ATOM 179 CA LYS A 14 -0.181 12.044 0.241 1.00 0.00 C ATOM 180 C LYS A 14 0.431 12.473 -1.093 1.00 0.00 C ATOM 181 O LYS A 14 0.045 11.976 -2.151 1.00 0.00 O ATOM 182 CB LYS A 14 -0.563 13.270 1.068 1.00 0.00 C ATOM 183 CG LYS A 14 -0.262 14.588 0.387 1.00 0.00 C ATOM 184 CD LYS A 14 -1.254 15.667 0.792 1.00 0.00 C ATOM 185 CE LYS A 14 -2.686 15.162 0.719 1.00 0.00 C ATOM 186 NZ LYS A 14 -3.297 15.025 2.070 1.00 0.00 N ATOM 0 H LYS A 14 1.119 11.656 1.834 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.069 11.459 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.628 13.225 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.032 13.234 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.748 14.908 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.290 14.454 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.036 16.001 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.138 16.533 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.283 15.849 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.705 14.197 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.653 14.056 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.581 15.226 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.085 15.697 2.165 1.00 0.00 H new ATOM 200 N SER A 15 1.362 13.417 -1.037 1.00 0.00 N ATOM 201 CA SER A 15 2.002 13.936 -2.247 1.00 0.00 C ATOM 202 C SER A 15 3.040 12.967 -2.801 1.00 0.00 C ATOM 203 O SER A 15 3.924 13.360 -3.564 1.00 0.00 O ATOM 204 CB SER A 15 2.661 15.286 -1.955 1.00 0.00 C ATOM 205 OG SER A 15 1.717 16.215 -1.453 1.00 0.00 O ATOM 0 H SER A 15 1.693 13.841 -0.170 1.00 0.00 H new ATOM 0 HA SER A 15 1.225 14.061 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.465 15.153 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.113 15.678 -2.866 1.00 0.00 H new ATOM 0 HG SER A 15 2.163 17.069 -1.273 1.00 0.00 H new ATOM 211 N ILE A 16 2.943 11.706 -2.405 1.00 0.00 N ATOM 212 CA ILE A 16 3.883 10.691 -2.849 1.00 0.00 C ATOM 213 C ILE A 16 3.603 10.178 -4.252 1.00 0.00 C ATOM 214 O ILE A 16 2.472 10.203 -4.737 1.00 0.00 O ATOM 215 CB ILE A 16 3.864 9.489 -1.905 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.132 9.466 -1.074 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.716 8.192 -2.688 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.628 8.068 -0.790 1.00 0.00 C ATOM 0 H ILE A 16 2.219 11.362 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 16 4.856 11.182 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 16 3.006 9.581 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.911 10.023 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.950 9.980 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.705 7.349 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.783 8.212 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.554 8.085 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.538 8.119 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.864 7.515 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.840 7.559 -1.730 1.00 0.00 H new ATOM 230 N SER A 17 4.660 9.665 -4.867 1.00 0.00 N ATOM 231 CA SER A 17 4.589 9.074 -6.190 1.00 0.00 C ATOM 232 C SER A 17 5.162 7.663 -6.125 1.00 0.00 C ATOM 233 O SER A 17 5.483 7.173 -5.043 1.00 0.00 O ATOM 234 CB SER A 17 5.363 9.918 -7.202 1.00 0.00 C ATOM 235 OG SER A 17 4.482 10.623 -8.059 1.00 0.00 O ATOM 0 H SER A 17 5.594 9.649 -4.457 1.00 0.00 H new ATOM 0 HA SER A 17 3.550 9.036 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.005 10.624 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.014 9.275 -7.794 1.00 0.00 H new ATOM 0 HG SER A 17 5.002 11.156 -8.696 1.00 0.00 H new ATOM 241 N ARG A 18 5.301 7.010 -7.268 1.00 0.00 N ATOM 242 CA ARG A 18 5.851 5.662 -7.294 1.00 0.00 C ATOM 243 C ARG A 18 7.362 5.685 -7.061 1.00 0.00 C ATOM 244 O ARG A 18 7.929 4.750 -6.498 1.00 0.00 O ATOM 245 CB ARG A 18 5.531 4.978 -8.627 1.00 0.00 C ATOM 246 CG ARG A 18 6.740 4.799 -9.531 1.00 0.00 C ATOM 247 CD ARG A 18 6.943 6.003 -10.435 1.00 0.00 C ATOM 248 NE ARG A 18 7.715 5.667 -11.628 1.00 0.00 N ATOM 249 CZ ARG A 18 8.964 5.216 -11.595 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.582 5.053 -10.433 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.598 4.929 -12.723 1.00 0.00 N ATOM 0 H ARG A 18 5.044 7.385 -8.181 1.00 0.00 H new ATOM 0 HA ARG A 18 5.388 5.093 -6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.091 4.001 -8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.779 5.565 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.631 4.646 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.611 3.904 -10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.973 6.402 -10.731 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.455 6.790 -9.881 1.00 0.00 H new ATOM 0 HE ARG A 18 7.270 5.785 -12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.098 5.274 -9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.541 4.707 -10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.127 5.054 -13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.557 4.583 -12.695 1.00 0.00 H new ATOM 265 N ASP A 19 8.007 6.755 -7.516 1.00 0.00 N ATOM 266 CA ASP A 19 9.455 6.904 -7.380 1.00 0.00 C ATOM 267 C ASP A 19 9.890 7.227 -5.948 1.00 0.00 C ATOM 268 O ASP A 19 10.852 6.649 -5.444 1.00 0.00 O ATOM 269 CB ASP A 19 9.958 7.997 -8.323 1.00 0.00 C ATOM 270 CG ASP A 19 9.256 7.973 -9.667 1.00 0.00 C ATOM 271 OD1 ASP A 19 8.180 8.596 -9.786 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.782 7.329 -10.599 1.00 0.00 O ATOM 0 H ASP A 19 7.548 7.536 -7.985 1.00 0.00 H new ATOM 0 HA ASP A 19 9.895 5.942 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.810 8.971 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.031 7.876 -8.475 1.00 0.00 H new ATOM 277 N LYS A 20 9.205 8.172 -5.306 1.00 0.00 N ATOM 278 CA LYS A 20 9.562 8.582 -3.949 1.00 0.00 C ATOM 279 C LYS A 20 9.323 7.473 -2.933 1.00 0.00 C ATOM 280 O LYS A 20 10.214 7.140 -2.144 1.00 0.00 O ATOM 281 CB LYS A 20 8.769 9.826 -3.544 1.00 0.00 C ATOM 282 CG LYS A 20 8.878 10.968 -4.538 1.00 0.00 C ATOM 283 CD LYS A 20 7.858 10.829 -5.654 1.00 0.00 C ATOM 284 CE LYS A 20 8.506 10.987 -7.021 1.00 0.00 C ATOM 285 NZ LYS A 20 7.933 10.045 -8.022 1.00 0.00 N ATOM 0 H LYS A 20 8.404 8.666 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 20 10.628 8.809 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.719 9.555 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.119 10.169 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.729 11.917 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.882 10.990 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.376 9.854 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.077 11.579 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.373 12.011 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.579 10.816 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.618 9.896 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.724 9.135 -7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.056 10.445 -8.413 1.00 0.00 H new ATOM 299 N ALA A 21 8.120 6.909 -2.944 1.00 0.00 N ATOM 300 CA ALA A 21 7.782 5.849 -2.005 1.00 0.00 C ATOM 301 C ALA A 21 8.854 4.768 -2.002 1.00 0.00 C ATOM 302 O ALA A 21 9.315 4.338 -0.946 1.00 0.00 O ATOM 303 CB ALA A 21 6.416 5.260 -2.309 1.00 0.00 C ATOM 0 H ALA A 21 7.370 7.166 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 21 7.739 6.287 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.192 4.471 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.659 6.041 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.415 4.844 -3.317 1.00 0.00 H new ATOM 309 N GLU A 22 9.271 4.342 -3.186 1.00 0.00 N ATOM 310 CA GLU A 22 10.308 3.327 -3.284 1.00 0.00 C ATOM 311 C GLU A 22 11.590 3.849 -2.649 1.00 0.00 C ATOM 312 O GLU A 22 12.218 3.171 -1.828 1.00 0.00 O ATOM 313 CB GLU A 22 10.555 2.945 -4.744 1.00 0.00 C ATOM 314 CG GLU A 22 9.348 2.316 -5.421 1.00 0.00 C ATOM 315 CD GLU A 22 9.735 1.268 -6.447 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.870 0.752 -6.368 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.905 0.965 -7.329 1.00 0.00 O ATOM 0 H GLU A 22 8.913 4.678 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 22 9.980 2.434 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.849 3.836 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.392 2.248 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.709 1.860 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.761 3.096 -5.907 1.00 0.00 H new ATOM 324 N LYS A 23 11.955 5.076 -3.015 1.00 0.00 N ATOM 325 CA LYS A 23 13.144 5.710 -2.468 1.00 0.00 C ATOM 326 C LYS A 23 13.039 5.749 -0.952 1.00 0.00 C ATOM 327 O LYS A 23 13.966 5.354 -0.242 1.00 0.00 O ATOM 328 CB LYS A 23 13.303 7.126 -3.023 1.00 0.00 C ATOM 329 CG LYS A 23 12.889 8.213 -2.045 1.00 0.00 C ATOM 330 CD LYS A 23 13.456 9.566 -2.444 1.00 0.00 C ATOM 331 CE LYS A 23 13.089 10.643 -1.436 1.00 0.00 C ATOM 332 NZ LYS A 23 12.733 11.928 -2.100 1.00 0.00 N ATOM 0 H LYS A 23 11.443 5.647 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 23 14.022 5.132 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.344 7.281 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.708 7.220 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.801 8.271 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.233 7.954 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.541 9.497 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.079 9.844 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.249 10.302 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.926 10.805 -0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.489 12.636 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.543 12.267 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.918 11.780 -2.729 1.00 0.00 H new ATOM 346 N LEU A 24 11.890 6.205 -0.462 1.00 0.00 N ATOM 347 CA LEU A 24 11.654 6.268 0.973 1.00 0.00 C ATOM 348 C LEU A 24 11.581 4.860 1.545 1.00 0.00 C ATOM 349 O LEU A 24 12.093 4.588 2.632 1.00 0.00 O ATOM 350 CB LEU A 24 10.352 7.011 1.274 1.00 0.00 C ATOM 351 CG LEU A 24 9.188 6.675 0.343 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.478 5.403 0.792 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.214 7.839 0.280 1.00 0.00 C ATOM 0 H LEU A 24 11.113 6.534 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 24 12.480 6.809 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.054 6.790 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.542 8.083 1.221 1.00 0.00 H new ATOM 0 HG LEU A 24 9.588 6.499 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.654 5.187 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.182 4.571 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.089 5.540 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.389 7.587 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.825 8.043 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.728 8.723 -0.097 1.00 0.00 H new ATOM 365 N LEU A 25 10.944 3.967 0.796 1.00 0.00 N ATOM 366 CA LEU A 25 10.802 2.580 1.212 1.00 0.00 C ATOM 367 C LEU A 25 12.169 1.929 1.355 1.00 0.00 C ATOM 368 O LEU A 25 12.471 1.309 2.374 1.00 0.00 O ATOM 369 CB LEU A 25 9.958 1.808 0.196 1.00 0.00 C ATOM 370 CG LEU A 25 8.447 2.023 0.310 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.815 2.092 -1.071 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.809 0.914 1.136 1.00 0.00 C ATOM 0 H LEU A 25 10.517 4.182 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 25 10.300 2.557 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.275 2.092 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.167 0.744 0.307 1.00 0.00 H new ATOM 0 HG LEU A 25 8.271 2.972 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.740 2.245 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.250 2.921 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.001 1.159 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.735 1.084 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.994 -0.048 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.242 0.911 2.137 1.00 0.00 H new ATOM 384 N LEU A 26 12.998 2.080 0.328 1.00 0.00 N ATOM 385 CA LEU A 26 14.338 1.509 0.346 1.00 0.00 C ATOM 386 C LEU A 26 15.215 2.228 1.363 1.00 0.00 C ATOM 387 O LEU A 26 16.234 1.696 1.806 1.00 0.00 O ATOM 388 CB LEU A 26 14.960 1.588 -1.045 1.00 0.00 C ATOM 389 CG LEU A 26 14.059 1.072 -2.165 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.986 2.079 -3.301 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.553 -0.275 -2.669 1.00 0.00 C ATOM 0 H LEU A 26 12.766 2.591 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 26 14.265 0.462 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.223 2.625 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.888 1.017 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 26 13.054 0.939 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.339 1.693 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.581 3.020 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.985 2.248 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.899 -0.627 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.568 -0.170 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.546 -0.994 -1.850 1.00 0.00 H new ATOM 403 N ASP A 27 14.807 3.436 1.735 1.00 0.00 N ATOM 404 CA ASP A 27 15.551 4.226 2.708 1.00 0.00 C ATOM 405 C ASP A 27 15.282 3.727 4.124 1.00 0.00 C ATOM 406 O ASP A 27 16.092 3.927 5.028 1.00 0.00 O ATOM 407 CB ASP A 27 15.173 5.704 2.593 1.00 0.00 C ATOM 408 CG ASP A 27 14.431 6.208 3.816 1.00 0.00 C ATOM 409 OD1 ASP A 27 13.407 5.594 4.184 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.874 7.216 4.405 1.00 0.00 O ATOM 0 H ASP A 27 13.966 3.889 1.378 1.00 0.00 H new ATOM 0 HA ASP A 27 16.615 4.116 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.076 6.297 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.552 5.850 1.709 1.00 0.00 H new ATOM 415 N THR A 28 14.136 3.075 4.307 1.00 0.00 N ATOM 416 CA THR A 28 13.759 2.546 5.612 1.00 0.00 C ATOM 417 C THR A 28 14.434 1.202 5.866 1.00 0.00 C ATOM 418 O THR A 28 14.992 0.969 6.939 1.00 0.00 O ATOM 419 CB THR A 28 12.239 2.397 5.706 1.00 0.00 C ATOM 420 OG1 THR A 28 11.808 2.494 7.052 1.00 0.00 O ATOM 421 CG2 THR A 28 11.726 1.084 5.153 1.00 0.00 C ATOM 0 H THR A 28 13.454 2.901 3.568 1.00 0.00 H new ATOM 0 HA THR A 28 14.093 3.250 6.375 1.00 0.00 H new ATOM 0 HB THR A 28 11.834 3.208 5.101 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.858 2.733 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.641 1.047 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.997 1.002 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.170 0.257 5.708 1.00 0.00 H new ATOM 429 N GLY A 29 14.378 0.321 4.874 1.00 0.00 N ATOM 430 CA GLY A 29 14.987 -0.989 5.011 1.00 0.00 C ATOM 431 C GLY A 29 14.118 -1.945 5.802 1.00 0.00 C ATOM 432 O GLY A 29 14.409 -2.246 6.960 1.00 0.00 O ATOM 0 H GLY A 29 13.922 0.490 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.175 -1.406 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.954 -0.888 5.503 1.00 0.00 H new ATOM 436 N LYS A 30 13.044 -2.415 5.178 1.00 0.00 N ATOM 437 CA LYS A 30 12.122 -3.335 5.831 1.00 0.00 C ATOM 438 C LYS A 30 11.666 -4.439 4.895 1.00 0.00 C ATOM 439 O LYS A 30 11.482 -4.218 3.698 1.00 0.00 O ATOM 440 CB LYS A 30 10.888 -2.587 6.331 1.00 0.00 C ATOM 441 CG LYS A 30 11.093 -1.876 7.648 1.00 0.00 C ATOM 442 CD LYS A 30 11.777 -0.533 7.465 1.00 0.00 C ATOM 443 CE LYS A 30 12.246 0.036 8.793 1.00 0.00 C ATOM 444 NZ LYS A 30 11.272 1.009 9.356 1.00 0.00 N ATOM 0 H LYS A 30 12.791 -2.174 4.220 1.00 0.00 H new ATOM 0 HA LYS A 30 12.661 -3.781 6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.588 -1.857 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.065 -3.294 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.129 -1.729 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.692 -2.502 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.629 -0.645 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.088 0.166 6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.398 -0.777 9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.211 0.525 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.717 1.534 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.978 1.675 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.439 0.499 9.713 1.00 0.00 H new ATOM 458 N GLU A 31 11.441 -5.619 5.457 1.00 0.00 N ATOM 459 CA GLU A 31 10.954 -6.739 4.673 1.00 0.00 C ATOM 460 C GLU A 31 9.443 -6.621 4.551 1.00 0.00 C ATOM 461 O GLU A 31 8.713 -6.820 5.522 1.00 0.00 O ATOM 462 CB GLU A 31 11.332 -8.066 5.332 1.00 0.00 C ATOM 463 CG GLU A 31 10.268 -9.141 5.191 1.00 0.00 C ATOM 464 CD GLU A 31 10.379 -10.216 6.255 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.678 -9.871 7.418 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.166 -11.402 5.926 1.00 0.00 O ATOM 0 H GLU A 31 11.587 -5.822 6.446 1.00 0.00 H new ATOM 0 HA GLU A 31 11.410 -6.718 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.262 -8.428 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.525 -7.894 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.282 -8.680 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.350 -9.600 4.206 1.00 0.00 H new ATOM 473 N GLY A 32 8.981 -6.273 3.361 1.00 0.00 N ATOM 474 CA GLY A 32 7.562 -6.107 3.141 1.00 0.00 C ATOM 475 C GLY A 32 7.109 -4.691 3.438 1.00 0.00 C ATOM 476 O GLY A 32 5.922 -4.443 3.650 1.00 0.00 O ATOM 0 H GLY A 32 9.565 -6.102 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.323 -6.356 2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.012 -6.805 3.772 1.00 0.00 H new ATOM 480 N ALA A 33 8.059 -3.755 3.449 1.00 0.00 N ATOM 481 CA ALA A 33 7.747 -2.361 3.716 1.00 0.00 C ATOM 482 C ALA A 33 6.489 -1.969 2.971 1.00 0.00 C ATOM 483 O ALA A 33 6.303 -2.346 1.813 1.00 0.00 O ATOM 484 CB ALA A 33 8.908 -1.465 3.325 1.00 0.00 C ATOM 0 H ALA A 33 9.047 -3.942 3.276 1.00 0.00 H new ATOM 0 HA ALA A 33 7.577 -2.235 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.652 -0.426 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.792 -1.743 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.115 -1.581 2.261 1.00 0.00 H new ATOM 490 N PHE A 34 5.613 -1.242 3.646 1.00 0.00 N ATOM 491 CA PHE A 34 4.354 -0.841 3.046 1.00 0.00 C ATOM 492 C PHE A 34 4.138 0.662 3.054 1.00 0.00 C ATOM 493 O PHE A 34 4.383 1.340 4.046 1.00 0.00 O ATOM 494 CB PHE A 34 3.205 -1.497 3.781 1.00 0.00 C ATOM 495 CG PHE A 34 1.914 -0.769 3.556 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.460 -0.539 2.273 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.159 -0.308 4.611 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.280 0.138 2.049 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.007 0.361 4.393 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.454 0.592 3.115 1.00 0.00 C ATOM 0 H PHE A 34 5.751 -0.920 4.604 1.00 0.00 H new ATOM 0 HA PHE A 34 4.393 -1.163 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.103 -2.530 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.425 -1.526 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.037 -0.894 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.495 -0.479 5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.064 0.310 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.586 0.714 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.377 1.128 2.951 1.00 0.00 H new ATOM 510 N MET A 35 3.638 1.166 1.938 1.00 0.00 N ATOM 511 CA MET A 35 3.341 2.582 1.804 1.00 0.00 C ATOM 512 C MET A 35 2.105 2.776 0.943 1.00 0.00 C ATOM 513 O MET A 35 1.666 1.849 0.267 1.00 0.00 O ATOM 514 CB MET A 35 4.523 3.320 1.192 1.00 0.00 C ATOM 515 CG MET A 35 4.230 4.769 0.870 1.00 0.00 C ATOM 516 SD MET A 35 5.724 5.751 0.775 1.00 0.00 S ATOM 517 CE MET A 35 6.149 5.755 2.507 1.00 0.00 C ATOM 0 H MET A 35 3.428 0.612 1.108 1.00 0.00 H new ATOM 0 HA MET A 35 3.152 2.992 2.796 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.367 3.273 1.881 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.828 2.808 0.279 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.696 4.829 -0.078 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.571 5.184 1.633 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.448 6.760 2.806 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.285 5.444 3.094 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.974 5.064 2.681 1.00 0.00 H new ATOM 527 N VAL A 36 1.552 3.980 0.957 1.00 0.00 N ATOM 528 CA VAL A 36 0.369 4.270 0.155 1.00 0.00 C ATOM 529 C VAL A 36 0.381 5.691 -0.374 1.00 0.00 C ATOM 530 O VAL A 36 0.924 6.600 0.255 1.00 0.00 O ATOM 531 CB VAL A 36 -0.934 4.032 0.933 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.138 4.393 0.079 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.012 2.585 1.384 1.00 0.00 C ATOM 0 H VAL A 36 1.898 4.766 1.508 1.00 0.00 H new ATOM 0 HA VAL A 36 0.404 3.577 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.939 4.673 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.052 4.218 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.082 5.444 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.145 3.776 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.939 2.425 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.990 1.931 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.163 2.359 2.029 1.00 0.00 H new ATOM 543 N ARG A 37 -0.213 5.869 -1.545 1.00 0.00 N ATOM 544 CA ARG A 37 -0.265 7.174 -2.177 1.00 0.00 C ATOM 545 C ARG A 37 -1.526 7.328 -3.021 1.00 0.00 C ATOM 546 O ARG A 37 -1.853 6.467 -3.838 1.00 0.00 O ATOM 547 CB ARG A 37 0.992 7.371 -3.020 1.00 0.00 C ATOM 548 CG ARG A 37 0.797 7.139 -4.504 1.00 0.00 C ATOM 549 CD ARG A 37 1.865 6.201 -5.040 1.00 0.00 C ATOM 550 NE ARG A 37 2.172 6.444 -6.448 1.00 0.00 N ATOM 551 CZ ARG A 37 1.253 6.619 -7.397 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.037 6.552 -7.103 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.630 6.850 -8.647 1.00 0.00 N ATOM 0 H ARG A 37 -0.665 5.124 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.303 7.944 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.360 8.386 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.766 6.694 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.191 6.716 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.839 8.090 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.774 6.316 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.533 5.170 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 37 3.154 6.482 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.333 6.365 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.735 6.687 -7.835 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.622 6.893 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.928 6.984 -9.375 1.00 0.00 H new ATOM 567 N ASP A 38 -2.237 8.430 -2.805 1.00 0.00 N ATOM 568 CA ASP A 38 -3.471 8.702 -3.532 1.00 0.00 C ATOM 569 C ASP A 38 -3.219 8.809 -5.032 1.00 0.00 C ATOM 570 O ASP A 38 -2.153 9.244 -5.466 1.00 0.00 O ATOM 571 CB ASP A 38 -4.115 9.991 -3.019 1.00 0.00 C ATOM 572 CG ASP A 38 -5.580 10.096 -3.398 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.885 10.052 -4.608 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.422 10.221 -2.484 1.00 0.00 O ATOM 0 H ASP A 38 -1.979 9.150 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.150 7.867 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.019 10.035 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.576 10.849 -3.422 1.00 0.00 H new ATOM 579 N SER A 39 -4.213 8.407 -5.818 1.00 0.00 N ATOM 580 CA SER A 39 -4.109 8.453 -7.269 1.00 0.00 C ATOM 581 C SER A 39 -5.240 9.285 -7.868 1.00 0.00 C ATOM 582 O SER A 39 -5.207 10.516 -7.831 1.00 0.00 O ATOM 583 CB SER A 39 -4.146 7.037 -7.846 1.00 0.00 C ATOM 584 OG SER A 39 -2.886 6.402 -7.718 1.00 0.00 O ATOM 0 H SER A 39 -5.101 8.045 -5.471 1.00 0.00 H new ATOM 0 HA SER A 39 -3.159 8.921 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.907 6.450 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.432 7.076 -8.897 1.00 0.00 H new ATOM 0 HG SER A 39 -2.852 5.910 -6.871 1.00 0.00 H new ATOM 590 N ARG A 40 -6.238 8.603 -8.416 1.00 0.00 N ATOM 591 CA ARG A 40 -7.384 9.271 -9.024 1.00 0.00 C ATOM 592 C ARG A 40 -8.523 8.283 -9.247 1.00 0.00 C ATOM 593 O ARG A 40 -9.088 7.747 -8.293 1.00 0.00 O ATOM 594 CB ARG A 40 -6.982 9.917 -10.351 1.00 0.00 C ATOM 595 CG ARG A 40 -8.065 10.800 -10.949 1.00 0.00 C ATOM 596 CD ARG A 40 -7.870 12.258 -10.565 1.00 0.00 C ATOM 597 NE ARG A 40 -6.458 12.601 -10.418 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.000 13.468 -9.521 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.841 14.075 -8.693 1.00 0.00 N ATOM 600 NH2 ARG A 40 -4.702 13.727 -9.448 1.00 0.00 N ATOM 0 H ARG A 40 -6.278 7.584 -8.452 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.727 10.050 -8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.082 10.513 -10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.728 9.134 -11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.056 10.704 -12.035 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.043 10.460 -10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.321 12.896 -11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.391 12.459 -9.629 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.786 12.150 -11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.840 13.876 -8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.488 14.740 -8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.052 13.260 -10.081 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.353 14.393 -8.759 1.00 0.00 H new ATOM 614 N THR A 41 -8.853 8.037 -10.511 1.00 0.00 N ATOM 615 CA THR A 41 -9.918 7.104 -10.853 1.00 0.00 C ATOM 616 C THR A 41 -10.988 7.104 -9.756 1.00 0.00 C ATOM 617 O THR A 41 -11.094 8.070 -9.001 1.00 0.00 O ATOM 618 CB THR A 41 -9.318 5.711 -11.055 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.107 4.937 -11.940 1.00 0.00 O ATOM 620 CG2 THR A 41 -9.151 4.936 -9.767 1.00 0.00 C ATOM 0 H THR A 41 -8.398 8.471 -11.314 1.00 0.00 H new ATOM 0 HA THR A 41 -10.400 7.410 -11.781 1.00 0.00 H new ATOM 0 HB THR A 41 -8.329 5.886 -11.478 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.815 4.002 -11.906 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.721 3.958 -9.984 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.488 5.483 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.123 4.807 -9.291 1.00 0.00 H new ATOM 628 N PRO A 42 -11.806 6.040 -9.646 1.00 0.00 N ATOM 629 CA PRO A 42 -12.858 5.964 -8.631 1.00 0.00 C ATOM 630 C PRO A 42 -12.429 6.523 -7.275 1.00 0.00 C ATOM 631 O PRO A 42 -13.256 6.690 -6.379 1.00 0.00 O ATOM 632 CB PRO A 42 -13.128 4.467 -8.544 1.00 0.00 C ATOM 633 CG PRO A 42 -12.897 3.978 -9.931 1.00 0.00 C ATOM 634 CD PRO A 42 -11.787 4.830 -10.495 1.00 0.00 C ATOM 0 HA PRO A 42 -13.729 6.563 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.459 3.982 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.147 4.264 -8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.618 2.924 -9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.802 4.069 -10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.825 4.320 -10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.962 5.074 -11.543 1.00 0.00 H new ATOM 642 N GLY A 43 -11.140 6.821 -7.127 1.00 0.00 N ATOM 643 CA GLY A 43 -10.653 7.366 -5.872 1.00 0.00 C ATOM 644 C GLY A 43 -9.737 6.418 -5.130 1.00 0.00 C ATOM 645 O GLY A 43 -9.491 6.590 -3.937 1.00 0.00 O ATOM 0 H GLY A 43 -10.430 6.696 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.121 8.297 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.503 7.613 -5.236 1.00 0.00 H new ATOM 649 N THR A 44 -9.236 5.415 -5.833 1.00 0.00 N ATOM 650 CA THR A 44 -8.345 4.435 -5.228 1.00 0.00 C ATOM 651 C THR A 44 -7.083 5.090 -4.686 1.00 0.00 C ATOM 652 O THR A 44 -6.761 6.229 -5.022 1.00 0.00 O ATOM 653 CB THR A 44 -7.947 3.380 -6.255 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.630 2.918 -6.010 1.00 0.00 O ATOM 655 CG2 THR A 44 -7.995 3.890 -7.675 1.00 0.00 C ATOM 0 H THR A 44 -9.430 5.257 -6.822 1.00 0.00 H new ATOM 0 HA THR A 44 -8.884 3.971 -4.402 1.00 0.00 H new ATOM 0 HB THR A 44 -8.675 2.576 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.300 2.439 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.701 3.093 -8.358 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.008 4.215 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.310 4.731 -7.783 1.00 0.00 H new ATOM 663 N TYR A 45 -6.359 4.340 -3.867 1.00 0.00 N ATOM 664 CA TYR A 45 -5.110 4.810 -3.292 1.00 0.00 C ATOM 665 C TYR A 45 -3.972 3.898 -3.726 1.00 0.00 C ATOM 666 O TYR A 45 -4.200 2.751 -4.111 1.00 0.00 O ATOM 667 CB TYR A 45 -5.185 4.840 -1.766 1.00 0.00 C ATOM 668 CG TYR A 45 -6.312 5.680 -1.227 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.627 5.332 -1.478 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.062 6.809 -0.461 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.671 6.090 -0.986 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.098 7.573 0.040 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.402 7.210 -0.226 1.00 0.00 C ATOM 674 OH TYR A 45 -9.439 7.967 0.269 1.00 0.00 O ATOM 0 H TYR A 45 -6.620 3.395 -3.585 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.930 5.824 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.297 3.820 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.242 5.220 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.841 4.453 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.042 7.095 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.692 5.808 -1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.888 8.449 0.636 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.078 8.736 0.757 1.00 0.00 H new ATOM 684 N THR A 46 -2.749 4.398 -3.656 1.00 0.00 N ATOM 685 CA THR A 46 -1.594 3.600 -4.036 1.00 0.00 C ATOM 686 C THR A 46 -0.921 3.025 -2.794 1.00 0.00 C ATOM 687 O THR A 46 -0.986 3.621 -1.722 1.00 0.00 O ATOM 688 CB THR A 46 -0.596 4.435 -4.832 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.265 5.251 -5.777 1.00 0.00 O ATOM 690 CG2 THR A 46 0.411 3.589 -5.583 1.00 0.00 C ATOM 0 H THR A 46 -2.531 5.344 -3.343 1.00 0.00 H new ATOM 0 HA THR A 46 -1.937 2.780 -4.667 1.00 0.00 H new ATOM 0 HB THR A 46 -0.067 5.042 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.826 5.903 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.095 4.238 -6.131 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.975 2.982 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.111 2.938 -6.284 1.00 0.00 H new ATOM 698 N VAL A 47 -0.279 1.870 -2.940 1.00 0.00 N ATOM 699 CA VAL A 47 0.397 1.222 -1.819 1.00 0.00 C ATOM 700 C VAL A 47 1.807 0.789 -2.188 1.00 0.00 C ATOM 701 O VAL A 47 1.991 -0.124 -2.988 1.00 0.00 O ATOM 702 CB VAL A 47 -0.357 -0.030 -1.328 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.541 -0.859 -0.417 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.644 0.346 -0.614 1.00 0.00 C ATOM 0 H VAL A 47 -0.212 1.363 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 47 0.425 1.970 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.625 -0.629 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.001 -1.741 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.430 -1.170 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.838 -0.260 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.152 -0.558 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.412 0.972 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.292 0.895 -1.297 1.00 0.00 H new ATOM 714 N SER A 48 2.804 1.414 -1.578 1.00 0.00 N ATOM 715 CA SER A 48 4.185 1.032 -1.842 1.00 0.00 C ATOM 716 C SER A 48 4.577 -0.116 -0.921 1.00 0.00 C ATOM 717 O SER A 48 4.680 0.060 0.296 1.00 0.00 O ATOM 718 CB SER A 48 5.160 2.202 -1.653 1.00 0.00 C ATOM 719 OG SER A 48 6.095 2.258 -2.717 1.00 0.00 O ATOM 0 H SER A 48 2.687 2.175 -0.908 1.00 0.00 H new ATOM 0 HA SER A 48 4.248 0.721 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.605 3.139 -1.602 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.687 2.092 -0.705 1.00 0.00 H new ATOM 0 HG SER A 48 6.255 1.354 -3.060 1.00 0.00 H new ATOM 725 N VAL A 49 4.789 -1.288 -1.504 1.00 0.00 N ATOM 726 CA VAL A 49 5.172 -2.469 -0.739 1.00 0.00 C ATOM 727 C VAL A 49 6.541 -2.956 -1.186 1.00 0.00 C ATOM 728 O VAL A 49 6.753 -3.204 -2.373 1.00 0.00 O ATOM 729 CB VAL A 49 4.146 -3.608 -0.906 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.767 -3.158 -0.452 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.106 -4.086 -2.351 1.00 0.00 C ATOM 0 H VAL A 49 4.702 -1.447 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 49 5.203 -2.186 0.313 1.00 0.00 H new ATOM 0 HB VAL A 49 4.457 -4.443 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.058 -3.976 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.806 -2.870 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.447 -2.305 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.376 -4.890 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.822 -3.258 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.091 -4.453 -2.640 1.00 0.00 H new ATOM 741 N PHE A 50 7.481 -3.075 -0.254 1.00 0.00 N ATOM 742 CA PHE A 50 8.821 -3.512 -0.624 1.00 0.00 C ATOM 743 C PHE A 50 9.458 -4.443 0.403 1.00 0.00 C ATOM 744 O PHE A 50 9.276 -4.295 1.621 1.00 0.00 O ATOM 745 CB PHE A 50 9.709 -2.296 -0.894 1.00 0.00 C ATOM 746 CG PHE A 50 10.698 -1.973 0.190 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.965 -2.529 0.181 1.00 0.00 C ATOM 748 CD2 PHE A 50 10.368 -1.081 1.194 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.884 -2.205 1.161 1.00 0.00 C ATOM 750 CE2 PHE A 50 11.282 -0.748 2.172 1.00 0.00 C ATOM 751 CZ PHE A 50 12.542 -1.311 2.155 1.00 0.00 C ATOM 0 H PHE A 50 7.346 -2.881 0.738 1.00 0.00 H new ATOM 0 HA PHE A 50 8.726 -4.101 -1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.254 -2.463 -1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.070 -1.427 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.239 -3.223 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.382 -0.640 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.868 -2.651 1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.012 -0.048 2.949 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.260 -1.052 2.919 1.00 0.00 H new ATOM 761 N THR A 51 10.209 -5.413 -0.126 1.00 0.00 N ATOM 762 CA THR A 51 10.900 -6.410 0.682 1.00 0.00 C ATOM 763 C THR A 51 12.223 -6.805 0.045 1.00 0.00 C ATOM 764 O THR A 51 12.248 -7.609 -0.888 1.00 0.00 O ATOM 765 CB THR A 51 10.042 -7.666 0.793 1.00 0.00 C ATOM 766 OG1 THR A 51 9.090 -7.556 1.831 1.00 0.00 O ATOM 767 CG2 THR A 51 10.858 -8.915 1.038 1.00 0.00 C ATOM 0 H THR A 51 10.352 -5.525 -1.130 1.00 0.00 H new ATOM 0 HA THR A 51 11.082 -5.974 1.664 1.00 0.00 H new ATOM 0 HB THR A 51 9.541 -7.754 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.358 -8.126 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.193 -9.776 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.556 -9.061 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.414 -8.809 1.969 1.00 0.00 H new ATOM 775 N LYS A 52 13.324 -6.273 0.554 1.00 0.00 N ATOM 776 CA LYS A 52 14.621 -6.625 0.020 1.00 0.00 C ATOM 777 C LYS A 52 14.573 -8.042 -0.544 1.00 0.00 C ATOM 778 O LYS A 52 14.517 -9.024 0.196 1.00 0.00 O ATOM 779 CB LYS A 52 15.694 -6.525 1.106 1.00 0.00 C ATOM 780 CG LYS A 52 16.549 -5.272 1.002 1.00 0.00 C ATOM 781 CD LYS A 52 16.075 -4.195 1.965 1.00 0.00 C ATOM 782 CE LYS A 52 15.676 -4.783 3.308 1.00 0.00 C ATOM 783 NZ LYS A 52 14.197 -4.860 3.463 1.00 0.00 N ATOM 0 H LYS A 52 13.342 -5.606 1.325 1.00 0.00 H new ATOM 0 HA LYS A 52 14.876 -5.928 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.213 -6.546 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.340 -7.401 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.589 -5.521 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.515 -4.890 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.867 -3.461 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.226 -3.666 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.104 -5.780 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.094 -4.174 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.934 -4.581 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.743 -4.218 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.880 -5.834 3.285 1.00 0.00 H new ATOM 797 N ALA A 53 14.591 -8.124 -1.870 1.00 0.00 N ATOM 798 CA ALA A 53 14.543 -9.403 -2.554 1.00 0.00 C ATOM 799 C ALA A 53 15.117 -9.325 -3.967 1.00 0.00 C ATOM 800 O ALA A 53 14.463 -9.713 -4.934 1.00 0.00 O ATOM 801 CB ALA A 53 13.110 -9.904 -2.587 1.00 0.00 C ATOM 0 H ALA A 53 14.639 -7.316 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 53 15.166 -10.105 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.072 -10.865 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.742 -10.023 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.485 -9.185 -3.117 1.00 0.00 H new ATOM 807 N ILE A 54 16.349 -8.837 -4.077 1.00 0.00 N ATOM 808 CA ILE A 54 17.015 -8.725 -5.371 1.00 0.00 C ATOM 809 C ILE A 54 18.526 -8.601 -5.198 1.00 0.00 C ATOM 810 O ILE A 54 19.004 -7.817 -4.379 1.00 0.00 O ATOM 811 CB ILE A 54 16.506 -7.516 -6.180 1.00 0.00 C ATOM 812 CG1 ILE A 54 15.011 -7.296 -5.941 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.784 -7.719 -7.662 1.00 0.00 C ATOM 814 CD1 ILE A 54 14.680 -6.852 -4.532 1.00 0.00 C ATOM 0 H ILE A 54 16.906 -8.513 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 54 16.780 -9.637 -5.920 1.00 0.00 H new ATOM 0 HB ILE A 54 17.039 -6.627 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.646 -6.547 -6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.477 -8.222 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.419 -6.858 -8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.857 -7.826 -7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.275 -8.619 -8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.603 -6.716 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 54 15.014 -7.610 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 54 15.185 -5.910 -4.319 1.00 0.00 H new ATOM 826 N ILE A 55 19.272 -9.379 -5.974 1.00 0.00 N ATOM 827 CA ILE A 55 20.728 -9.355 -5.906 1.00 0.00 C ATOM 828 C ILE A 55 21.306 -8.320 -6.864 1.00 0.00 C ATOM 829 O ILE A 55 22.391 -7.785 -6.635 1.00 0.00 O ATOM 830 CB ILE A 55 21.329 -10.735 -6.235 1.00 0.00 C ATOM 831 CG1 ILE A 55 21.520 -11.552 -4.955 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.651 -10.575 -6.971 1.00 0.00 C ATOM 833 CD1 ILE A 55 20.746 -11.011 -3.773 1.00 0.00 C ATOM 0 H ILE A 55 18.892 -10.034 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 55 20.992 -9.087 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 55 20.637 -11.271 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 55 21.212 -12.581 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.580 -11.577 -4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.063 -11.559 -7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.487 -10.029 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.352 -10.023 -6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.928 -11.639 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.070 -9.992 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 55 19.681 -11.012 -4.004 1.00 0.00 H new ATOM 845 N SER A 56 20.575 -8.042 -7.939 1.00 0.00 N ATOM 846 CA SER A 56 21.016 -7.070 -8.933 1.00 0.00 C ATOM 847 C SER A 56 20.211 -5.779 -8.827 1.00 0.00 C ATOM 848 O SER A 56 20.110 -5.017 -9.789 1.00 0.00 O ATOM 849 CB SER A 56 20.884 -7.655 -10.340 1.00 0.00 C ATOM 850 OG SER A 56 20.199 -8.894 -10.317 1.00 0.00 O ATOM 0 H SER A 56 19.675 -8.476 -8.144 1.00 0.00 H new ATOM 0 HA SER A 56 22.064 -6.839 -8.740 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.350 -6.953 -10.980 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.874 -7.792 -10.774 1.00 0.00 H new ATOM 0 HG SER A 56 20.127 -9.245 -11.229 1.00 0.00 H new ATOM 856 N GLU A 57 19.640 -5.539 -7.650 1.00 0.00 N ATOM 857 CA GLU A 57 18.844 -4.340 -7.416 1.00 0.00 C ATOM 858 C GLU A 57 18.088 -4.440 -6.095 1.00 0.00 C ATOM 859 O GLU A 57 18.361 -5.320 -5.277 1.00 0.00 O ATOM 860 CB GLU A 57 17.858 -4.121 -8.566 1.00 0.00 C ATOM 861 CG GLU A 57 17.669 -2.659 -8.936 1.00 0.00 C ATOM 862 CD GLU A 57 16.358 -2.404 -9.653 1.00 0.00 C ATOM 863 OE1 GLU A 57 15.923 -3.285 -10.425 1.00 0.00 O ATOM 864 OE2 GLU A 57 15.767 -1.325 -9.443 1.00 0.00 O ATOM 0 H GLU A 57 19.714 -6.160 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 57 19.523 -3.489 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.208 -4.666 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.892 -4.545 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.709 -2.051 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.495 -2.339 -9.572 1.00 0.00 H new ATOM 871 N ASN A 58 17.137 -3.535 -5.892 1.00 0.00 N ATOM 872 CA ASN A 58 16.340 -3.524 -4.671 1.00 0.00 C ATOM 873 C ASN A 58 16.860 -2.481 -3.688 1.00 0.00 C ATOM 874 O ASN A 58 17.744 -1.689 -4.015 1.00 0.00 O ATOM 875 CB ASN A 58 16.359 -4.905 -4.013 1.00 0.00 C ATOM 876 CG ASN A 58 17.489 -5.053 -3.013 1.00 0.00 C ATOM 877 OD1 ASN A 58 18.581 -4.334 -3.243 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 17.381 -5.807 -2.045 1.00 0.00 N flip ATOM 0 H ASN A 58 16.899 -2.799 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 58 15.316 -3.267 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.407 -5.078 -3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.456 -5.670 -4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.523 -6.341 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 58 18.150 -5.898 -1.381 1.00 0.00 H new ATOM 885 N PRO A 59 16.311 -2.472 -2.465 1.00 0.00 N ATOM 886 CA PRO A 59 15.257 -3.409 -2.060 1.00 0.00 C ATOM 887 C PRO A 59 14.098 -3.456 -3.054 1.00 0.00 C ATOM 888 O PRO A 59 13.918 -2.543 -3.861 1.00 0.00 O ATOM 889 CB PRO A 59 14.786 -2.854 -0.717 1.00 0.00 C ATOM 890 CG PRO A 59 15.955 -2.101 -0.182 1.00 0.00 C ATOM 891 CD PRO A 59 16.680 -1.546 -1.379 1.00 0.00 C ATOM 0 HA PRO A 59 15.625 -4.434 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.920 -2.204 -0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.489 -3.655 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.631 -1.300 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.606 -2.754 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.368 -0.525 -1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.758 -1.523 -1.220 1.00 0.00 H new ATOM 899 N CYS A 60 13.317 -4.530 -2.986 1.00 0.00 N ATOM 900 CA CYS A 60 12.173 -4.712 -3.877 1.00 0.00 C ATOM 901 C CYS A 60 10.986 -3.860 -3.434 1.00 0.00 C ATOM 902 O CYS A 60 10.338 -4.165 -2.435 1.00 0.00 O ATOM 903 CB CYS A 60 11.762 -6.187 -3.907 1.00 0.00 C ATOM 904 SG CYS A 60 12.080 -7.011 -5.486 1.00 0.00 S ATOM 0 H CYS A 60 13.455 -5.291 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 60 12.471 -4.394 -4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.296 -6.718 -3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.699 -6.261 -3.678 1.00 0.00 H new ATOM 0 HG CYS A 60 11.702 -8.252 -5.412 1.00 0.00 H new ATOM 910 N ILE A 61 10.700 -2.796 -4.187 1.00 0.00 N ATOM 911 CA ILE A 61 9.582 -1.912 -3.862 1.00 0.00 C ATOM 912 C ILE A 61 8.502 -1.954 -4.933 1.00 0.00 C ATOM 913 O ILE A 61 8.711 -1.504 -6.060 1.00 0.00 O ATOM 914 CB ILE A 61 10.029 -0.446 -3.690 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.505 -0.376 -3.287 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.149 0.259 -2.661 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.776 -0.896 -1.895 1.00 0.00 C ATOM 0 H ILE A 61 11.224 -2.528 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 61 9.182 -2.281 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 61 9.916 0.067 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.096 -0.949 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.842 0.659 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.476 1.293 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.112 0.240 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.230 -0.252 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.841 -0.816 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.213 -0.308 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.470 -1.940 -1.831 1.00 0.00 H new ATOM 929 N LYS A 62 7.337 -2.473 -4.566 1.00 0.00 N ATOM 930 CA LYS A 62 6.212 -2.545 -5.485 1.00 0.00 C ATOM 931 C LYS A 62 5.170 -1.512 -5.117 1.00 0.00 C ATOM 932 O LYS A 62 5.026 -1.148 -3.949 1.00 0.00 O ATOM 933 CB LYS A 62 5.558 -3.921 -5.462 1.00 0.00 C ATOM 934 CG LYS A 62 5.035 -4.352 -6.821 1.00 0.00 C ATOM 935 CD LYS A 62 4.741 -5.840 -6.859 1.00 0.00 C ATOM 936 CE LYS A 62 3.255 -6.096 -7.018 1.00 0.00 C ATOM 937 NZ LYS A 62 2.793 -7.239 -6.184 1.00 0.00 N ATOM 0 H LYS A 62 7.148 -2.850 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 62 6.599 -2.353 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.282 -4.655 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.735 -3.914 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.128 -3.795 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.768 -4.106 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.283 -6.301 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.098 -6.309 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.701 -5.199 -6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.032 -6.298 -8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.779 -7.401 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.326 -8.094 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.950 -7.022 -5.179 1.00 0.00 H new ATOM 951 N HIS A 63 4.427 -1.061 -6.109 1.00 0.00 N ATOM 952 CA HIS A 63 3.382 -0.095 -5.872 1.00 0.00 C ATOM 953 C HIS A 63 2.029 -0.763 -6.039 1.00 0.00 C ATOM 954 O HIS A 63 1.608 -1.083 -7.150 1.00 0.00 O ATOM 955 CB HIS A 63 3.519 1.077 -6.842 1.00 0.00 C ATOM 956 CG HIS A 63 4.767 1.878 -6.639 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.989 2.689 -5.548 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.876 1.979 -7.413 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.200 3.246 -5.691 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.780 2.847 -6.806 1.00 0.00 N ATOM 0 H HIS A 63 4.530 -1.349 -7.082 1.00 0.00 H new ATOM 0 HA HIS A 63 3.468 0.288 -4.855 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.503 0.697 -7.863 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.655 1.732 -6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.033 1.467 -8.351 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.643 3.932 -4.985 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.700 3.118 -7.152 1.00 0.00 H new ATOM 968 N TYR A 64 1.357 -0.971 -4.919 1.00 0.00 N ATOM 969 CA TYR A 64 0.051 -1.602 -4.913 1.00 0.00 C ATOM 970 C TYR A 64 -1.045 -0.550 -4.859 1.00 0.00 C ATOM 971 O TYR A 64 -1.186 0.149 -3.859 1.00 0.00 O ATOM 972 CB TYR A 64 -0.079 -2.519 -3.699 1.00 0.00 C ATOM 973 CG TYR A 64 0.891 -3.669 -3.691 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.946 -3.733 -4.591 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.743 -4.694 -2.777 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.823 -4.793 -4.577 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.618 -5.759 -2.754 1.00 0.00 C ATOM 978 CZ TYR A 64 2.656 -5.806 -3.659 1.00 0.00 C ATOM 979 OH TYR A 64 3.534 -6.866 -3.645 1.00 0.00 O ATOM 0 H TYR A 64 1.700 -0.709 -3.995 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.053 -2.185 -5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.066 -1.929 -2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.094 -2.914 -3.662 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.080 -2.940 -5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.072 -4.661 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.639 -4.831 -5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.491 -6.551 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 64 4.454 -6.529 -3.637 1.00 0.00 H new ATOM 989 N HIS A 65 -1.828 -0.437 -5.921 1.00 0.00 N ATOM 990 CA HIS A 65 -2.905 0.537 -5.931 1.00 0.00 C ATOM 991 C HIS A 65 -4.201 -0.092 -5.471 1.00 0.00 C ATOM 992 O HIS A 65 -4.668 -1.071 -6.053 1.00 0.00 O ATOM 993 CB HIS A 65 -3.111 1.158 -7.305 1.00 0.00 C ATOM 994 CG HIS A 65 -3.748 2.501 -7.223 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.948 2.920 -7.679 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 -3.185 3.580 -6.586 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 -5.136 4.250 -7.325 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 -4.048 4.597 -6.668 1.00 0.00 N flip ATOM 0 H HIS A 65 -1.741 -0.996 -6.770 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.613 1.328 -5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.150 1.244 -7.811 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.733 0.499 -7.911 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.612 2.349 -8.202 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.218 3.602 -6.105 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.994 4.869 -7.543 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.786 0.476 -4.431 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.037 -0.044 -3.918 1.00 0.00 C ATOM 1008 C ILE A 66 -7.146 0.177 -4.928 1.00 0.00 C ATOM 1009 O ILE A 66 -7.639 1.293 -5.090 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.437 0.623 -2.590 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.241 1.335 -1.964 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.994 -0.414 -1.633 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.980 0.504 -1.960 1.00 0.00 C ATOM 0 H ILE A 66 -4.419 1.287 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.892 -1.109 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.209 1.365 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.055 2.261 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.488 1.611 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.274 0.068 -0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.872 -0.883 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.236 -1.173 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.171 1.072 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.149 -0.411 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.708 0.250 -2.985 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.550 -0.892 -5.595 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.616 -0.808 -6.573 1.00 0.00 C ATOM 1027 C LYS A 67 -9.921 -0.483 -5.862 1.00 0.00 C ATOM 1028 O LYS A 67 -10.110 -0.881 -4.711 1.00 0.00 O ATOM 1029 CB LYS A 67 -8.745 -2.123 -7.343 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.749 -2.063 -8.484 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.123 -1.495 -9.747 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.572 -0.064 -9.996 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.455 0.793 -10.479 1.00 0.00 N ATOM 0 H LYS A 67 -7.155 -1.825 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.385 -0.019 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.769 -2.398 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.040 -2.912 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.133 -3.063 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.599 -1.448 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.037 -1.527 -9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.395 -2.116 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.377 -0.059 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.978 0.354 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.803 1.760 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.697 0.809 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.084 0.409 -11.371 1.00 0.00 H new ATOM 1047 N GLU A 68 -10.810 0.239 -6.540 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.094 0.620 -5.958 1.00 0.00 C ATOM 1049 C GLU A 68 -13.246 -0.035 -6.713 1.00 0.00 C ATOM 1050 O GLU A 68 -13.249 -0.069 -7.943 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.265 2.143 -6.000 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.286 2.905 -5.121 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.925 4.099 -4.440 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.154 4.272 -4.577 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.196 4.861 -3.769 1.00 0.00 O ATOM 0 H GLU A 68 -10.665 0.572 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.108 0.279 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.151 2.482 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.281 2.392 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.883 2.232 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.446 3.243 -5.727 1.00 0.00 H new ATOM 1062 N THR A 69 -14.231 -0.551 -5.976 1.00 0.00 N ATOM 1063 CA THR A 69 -15.381 -1.192 -6.602 1.00 0.00 C ATOM 1064 C THR A 69 -16.676 -0.772 -5.916 1.00 0.00 C ATOM 1065 O THR A 69 -17.121 -1.418 -4.969 1.00 0.00 O ATOM 1066 CB THR A 69 -15.233 -2.714 -6.550 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.490 -3.333 -6.341 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.301 -3.187 -5.456 1.00 0.00 C ATOM 0 H THR A 69 -14.253 -0.537 -4.956 1.00 0.00 H new ATOM 0 HA THR A 69 -15.422 -0.873 -7.644 1.00 0.00 H new ATOM 0 HB THR A 69 -14.809 -2.996 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.856 -3.047 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.241 -4.275 -5.474 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.308 -2.766 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.681 -2.861 -4.488 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.277 0.308 -6.410 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.526 0.824 -5.854 1.00 0.00 C ATOM 1078 C ASN A 70 -18.812 0.220 -4.482 1.00 0.00 C ATOM 1079 O ASN A 70 -19.961 -0.063 -4.147 1.00 0.00 O ATOM 1080 CB ASN A 70 -19.690 0.529 -6.803 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.842 -0.952 -7.088 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -18.857 -1.663 -7.283 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.083 -1.425 -7.112 1.00 0.00 N ATOM 0 H ASN A 70 -16.917 0.845 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.419 1.903 -5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.615 0.909 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.535 1.063 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.248 -2.414 -7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.871 -0.799 -6.945 1.00 0.00 H new ATOM 1090 N ASP A 71 -17.757 0.020 -3.697 1.00 0.00 N ATOM 1091 CA ASP A 71 -17.884 -0.558 -2.368 1.00 0.00 C ATOM 1092 C ASP A 71 -19.203 -1.299 -2.203 1.00 0.00 C ATOM 1093 O ASP A 71 -19.757 -1.832 -3.165 1.00 0.00 O ATOM 1094 CB ASP A 71 -17.750 0.518 -1.292 1.00 0.00 C ATOM 1095 CG ASP A 71 -19.083 1.147 -0.931 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.080 0.864 -1.629 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -19.129 1.920 0.048 1.00 0.00 O ATOM 0 H ASP A 71 -16.800 0.252 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.074 -1.278 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.304 0.081 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.068 1.294 -1.641 1.00 0.00 H new ATOM 1102 N SER A 72 -19.695 -1.331 -0.972 1.00 0.00 N ATOM 1103 CA SER A 72 -20.950 -2.003 -0.660 1.00 0.00 C ATOM 1104 C SER A 72 -20.730 -3.177 0.290 1.00 0.00 C ATOM 1105 O SER A 72 -21.237 -4.275 0.060 1.00 0.00 O ATOM 1106 CB SER A 72 -21.625 -2.496 -1.942 1.00 0.00 C ATOM 1107 OG SER A 72 -21.896 -1.417 -2.822 1.00 0.00 O ATOM 0 H SER A 72 -19.241 -0.897 -0.168 1.00 0.00 H new ATOM 0 HA SER A 72 -21.598 -1.279 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 72 -20.982 -3.223 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.554 -3.009 -1.694 1.00 0.00 H new ATOM 0 HG SER A 72 -21.199 -1.373 -3.510 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.965 -2.963 1.374 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.342 -1.689 1.692 1.00 0.00 C ATOM 1115 C PRO A 73 -17.867 -1.639 1.292 1.00 0.00 C ATOM 1116 O PRO A 73 -17.149 -0.705 1.651 1.00 0.00 O ATOM 1117 CB PRO A 73 -19.475 -1.669 3.210 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.351 -3.108 3.625 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.644 -3.957 2.403 1.00 0.00 C ATOM 0 HA PRO A 73 -19.797 -0.847 1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.697 -1.057 3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.433 -1.250 3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.350 -3.314 4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.050 -3.338 4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.785 -4.566 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.476 -4.640 2.577 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.416 -2.659 0.567 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.018 -2.742 0.141 1.00 0.00 C ATOM 1129 C LYS A 74 -15.819 -2.224 -1.270 1.00 0.00 C ATOM 1130 O LYS A 74 -16.346 -2.778 -2.235 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.527 -4.180 0.239 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.702 -4.795 1.617 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.846 -5.795 1.638 1.00 0.00 C ATOM 1134 CE LYS A 74 -16.441 -7.117 1.007 1.00 0.00 C ATOM 1135 NZ LYS A 74 -17.539 -8.120 1.067 1.00 0.00 N ATOM 0 H LYS A 74 -17.996 -3.440 0.261 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.436 -2.108 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.063 -4.787 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.472 -4.213 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.778 -5.291 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.892 -4.008 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.164 -5.964 2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.701 -5.382 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.157 -6.951 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.562 -7.510 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.223 -9.007 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.793 -8.298 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.369 -7.757 0.557 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.047 -1.148 -1.372 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.758 -0.517 -2.649 1.00 0.00 C ATOM 1151 C ARG A 75 -13.309 -0.719 -3.070 1.00 0.00 C ATOM 1152 O ARG A 75 -13.025 -0.996 -4.233 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.039 0.980 -2.557 1.00 0.00 C ATOM 1154 CG ARG A 75 -14.981 1.523 -1.141 1.00 0.00 C ATOM 1155 CD ARG A 75 -15.480 2.957 -1.070 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.205 3.344 -2.277 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.075 4.528 -2.867 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -15.251 5.436 -2.361 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.768 4.805 -3.963 1.00 0.00 N ATOM 0 H ARG A 75 -14.606 -0.692 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.400 -0.984 -3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.316 1.515 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.025 1.182 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.584 0.895 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.956 1.476 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.131 3.072 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.634 3.629 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.847 2.668 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.716 5.226 -1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.152 6.344 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.402 4.109 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.667 5.714 -4.414 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.394 -0.533 -2.129 1.00 0.00 N ATOM 1174 CA TYR A 76 -10.973 -0.639 -2.425 1.00 0.00 C ATOM 1175 C TYR A 76 -10.430 -2.041 -2.205 1.00 0.00 C ATOM 1176 O TYR A 76 -10.889 -2.774 -1.330 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.209 0.374 -1.585 1.00 0.00 C ATOM 1178 CG TYR A 76 -10.946 1.680 -1.484 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.044 1.921 -2.295 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.565 2.658 -0.583 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.745 3.099 -2.215 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.260 3.849 -0.494 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.351 4.066 -1.313 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.049 5.249 -1.228 1.00 0.00 O ATOM 0 H TYR A 76 -12.609 -0.309 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.835 -0.422 -3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.046 -0.030 -0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.226 0.544 -2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.354 1.167 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.713 2.489 0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.599 3.268 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.952 4.606 0.212 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.642 5.820 -0.544 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.443 -2.391 -3.021 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.799 -3.706 -2.960 1.00 0.00 C ATOM 1196 C TYR A 77 -7.577 -3.747 -3.873 1.00 0.00 C ATOM 1197 O TYR A 77 -7.315 -2.801 -4.608 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.783 -4.798 -3.370 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.005 -4.869 -4.859 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.770 -3.909 -5.508 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.447 -5.890 -5.616 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -10.977 -3.961 -6.870 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.648 -5.949 -6.985 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.413 -4.983 -7.605 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.614 -5.039 -8.966 1.00 0.00 O ATOM 0 H TYR A 77 -9.065 -1.777 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.479 -3.881 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.414 -5.761 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.738 -4.622 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.211 -3.107 -4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.849 -6.648 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.577 -3.207 -7.358 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.208 -6.747 -7.564 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.148 -5.819 -9.334 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.830 -4.845 -3.828 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.641 -4.984 -4.664 1.00 0.00 C ATOM 1217 C VAL A 78 -5.759 -6.167 -5.618 1.00 0.00 C ATOM 1218 O VAL A 78 -5.767 -5.998 -6.837 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.368 -5.161 -3.814 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.957 -3.841 -3.180 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.578 -6.233 -2.753 1.00 0.00 C ATOM 0 H VAL A 78 -7.024 -5.646 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.565 -4.062 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.559 -5.486 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.056 -3.988 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.759 -3.108 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.761 -3.479 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.668 -6.344 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.401 -5.942 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.815 -7.181 -3.236 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.835 -7.364 -5.052 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.934 -8.584 -5.840 1.00 0.00 C ATOM 1233 C ALA A 79 -7.369 -9.085 -5.916 1.00 0.00 C ATOM 1234 O ALA A 79 -7.635 -10.248 -5.614 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.049 -9.658 -5.224 1.00 0.00 C ATOM 0 H ALA A 79 -5.830 -7.516 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.602 -8.361 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.122 -10.572 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.014 -9.315 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.375 -9.857 -4.203 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.301 -8.219 -6.300 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.697 -8.635 -6.369 1.00 0.00 C ATOM 1243 C GLU A 80 -9.930 -9.656 -5.270 1.00 0.00 C ATOM 1244 O GLU A 80 -10.751 -10.565 -5.389 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.018 -9.239 -7.737 1.00 0.00 C ATOM 1246 CG GLU A 80 -11.460 -9.027 -8.171 1.00 0.00 C ATOM 1247 CD GLU A 80 -11.646 -9.181 -9.669 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.645 -9.061 -10.406 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -12.792 -9.421 -10.102 1.00 0.00 O ATOM 0 H GLU A 80 -8.123 -7.249 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.351 -7.774 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.354 -8.802 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.808 -10.308 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.100 -9.741 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.784 -8.031 -7.869 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.151 -9.493 -4.207 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.184 -10.376 -3.057 1.00 0.00 C ATOM 1258 C LYS A 81 -10.094 -9.845 -1.960 1.00 0.00 C ATOM 1259 O LYS A 81 -11.189 -10.359 -1.732 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.777 -10.493 -2.486 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.847 -11.412 -3.254 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.517 -11.550 -2.530 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.465 -12.824 -1.702 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.961 -12.572 -0.324 1.00 0.00 N ATOM 0 H LYS A 81 -8.473 -8.735 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.566 -11.341 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.332 -9.499 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.847 -10.848 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.309 -12.393 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.683 -11.017 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.704 -11.553 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.362 -10.687 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.461 -13.263 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.821 -13.552 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.181 -13.227 -0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.619 -11.592 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.731 -12.721 0.360 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.608 -8.816 -1.273 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.340 -8.205 -0.179 1.00 0.00 C ATOM 1280 C TYR A 82 -10.546 -6.723 -0.422 1.00 0.00 C ATOM 1281 O TYR A 82 -9.621 -5.927 -0.263 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.588 -8.376 1.143 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.798 -9.657 1.261 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.882 -10.034 0.288 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.963 -10.483 2.363 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.156 -11.199 0.413 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.242 -11.649 2.494 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.338 -12.005 1.517 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.614 -13.168 1.643 1.00 0.00 O ATOM 0 H TYR A 82 -8.701 -8.388 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.307 -8.705 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.908 -7.533 1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.306 -8.332 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.736 -9.406 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.669 -10.207 3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.447 -11.480 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.384 -12.281 3.358 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.861 -13.618 2.478 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.759 -6.349 -0.777 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.064 -4.953 -0.999 1.00 0.00 C ATOM 1301 C VAL A 83 -12.437 -4.303 0.318 1.00 0.00 C ATOM 1302 O VAL A 83 -12.785 -4.992 1.277 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.206 -4.768 -2.009 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.721 -5.081 -3.415 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.389 -5.642 -1.632 1.00 0.00 C ATOM 0 H VAL A 83 -12.542 -6.987 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.175 -4.478 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.533 -3.728 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.540 -4.946 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.903 -4.409 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.371 -6.112 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.191 -5.501 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.082 -6.688 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.744 -5.365 -0.639 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.356 -2.985 0.381 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.684 -2.290 1.611 1.00 0.00 C ATOM 1317 C PHE A 84 -13.159 -0.872 1.335 1.00 0.00 C ATOM 1318 O PHE A 84 -13.173 -0.419 0.190 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.470 -2.273 2.544 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.800 -3.615 2.676 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.223 -4.524 3.630 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -9.751 -3.965 1.841 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.613 -5.761 3.751 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.136 -5.200 1.956 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.568 -6.100 2.913 1.00 0.00 C ATOM 0 H PHE A 84 -12.071 -2.384 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.500 -2.826 2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.746 -1.548 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.784 -1.933 3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.039 -4.265 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.409 -3.266 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.954 -6.461 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.319 -5.460 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.090 -7.064 3.005 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.549 -0.179 2.394 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.030 1.188 2.277 1.00 0.00 C ATOM 1337 C ASP A 85 -12.908 2.177 2.557 1.00 0.00 C ATOM 1338 O ASP A 85 -13.127 3.388 2.577 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.193 1.429 3.242 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.810 2.802 3.072 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.746 2.936 2.255 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.359 3.745 3.756 1.00 0.00 O ATOM 0 H ASP A 85 -13.541 -0.543 3.347 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.381 1.339 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.957 0.668 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.840 1.317 4.267 1.00 0.00 H new ATOM 1347 N SER A 86 -11.704 1.657 2.777 1.00 0.00 N ATOM 1348 CA SER A 86 -10.560 2.510 3.056 1.00 0.00 C ATOM 1349 C SER A 86 -9.241 1.737 3.022 1.00 0.00 C ATOM 1350 O SER A 86 -9.150 0.568 3.448 1.00 0.00 O ATOM 1351 CB SER A 86 -10.726 3.192 4.415 1.00 0.00 C ATOM 1352 OG SER A 86 -10.313 4.546 4.362 1.00 0.00 O ATOM 0 H SER A 86 -11.499 0.658 2.767 1.00 0.00 H new ATOM 0 HA SER A 86 -10.522 3.264 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.769 3.139 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.142 2.660 5.166 1.00 0.00 H new ATOM 0 HG SER A 86 -9.803 4.764 5.170 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.213 2.413 2.524 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.891 1.830 2.439 1.00 0.00 C ATOM 1360 C ILE A 87 -6.462 1.307 3.801 1.00 0.00 C ATOM 1361 O ILE A 87 -5.873 0.238 3.905 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.847 2.858 1.969 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -5.990 3.173 0.479 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.445 2.353 2.265 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.238 2.608 -0.159 1.00 0.00 C ATOM 0 H ILE A 87 -8.276 3.369 2.173 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.944 1.018 1.714 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.022 3.782 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.986 4.255 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.119 2.784 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.715 3.089 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.334 2.196 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.279 1.411 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.261 2.878 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.237 1.522 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.118 3.016 0.339 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.760 2.058 4.874 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.392 1.653 6.229 1.00 0.00 C ATOM 1379 C PRO A 88 -6.903 0.260 6.551 1.00 0.00 C ATOM 1380 O PRO A 88 -6.139 -0.600 6.983 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.055 2.702 7.122 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.276 3.883 6.236 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.472 3.343 4.846 1.00 0.00 C ATOM 0 HA PRO A 88 -5.312 1.605 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.996 2.334 7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.418 2.958 7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.148 4.452 6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.423 4.560 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.528 3.212 4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.059 4.014 4.093 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.181 0.011 6.284 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.724 -1.318 6.507 1.00 0.00 C ATOM 1393 C LEU A 89 -8.112 -2.233 5.470 1.00 0.00 C ATOM 1394 O LEU A 89 -7.577 -3.304 5.786 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.254 -1.347 6.400 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.944 0.014 6.378 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.285 0.403 4.951 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.198 -0.014 7.238 1.00 0.00 C ATOM 0 H LEU A 89 -8.844 0.696 5.922 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.480 -1.642 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.526 -1.886 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.647 -1.919 7.240 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.263 0.760 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.777 1.376 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.371 0.456 4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.953 -0.343 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.679 0.964 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.886 -0.767 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.929 -0.259 8.266 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.154 -1.773 4.219 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.565 -2.531 3.132 1.00 0.00 C ATOM 1412 C LEU A 90 -6.097 -2.802 3.442 1.00 0.00 C ATOM 1413 O LEU A 90 -5.550 -3.839 3.073 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.705 -1.770 1.819 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.281 -2.555 0.580 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.264 -2.328 -0.557 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.870 -2.163 0.164 1.00 0.00 C ATOM 0 H LEU A 90 -8.585 -0.891 3.943 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.088 -3.482 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.744 -1.464 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.109 -0.859 1.877 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.284 -3.618 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.946 -2.895 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.257 -2.659 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.295 -1.267 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.581 -2.730 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.840 -1.097 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.177 -2.380 0.977 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.477 -1.863 4.153 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.085 -2.002 4.552 1.00 0.00 C ATOM 1431 C ILE A 91 -4.001 -2.923 5.753 1.00 0.00 C ATOM 1432 O ILE A 91 -3.262 -3.907 5.748 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.442 -0.643 4.899 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.472 0.278 3.683 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.008 -0.836 5.376 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.793 -0.311 2.473 1.00 0.00 C ATOM 0 H ILE A 91 -5.920 -0.998 4.463 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.535 -2.420 3.709 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.016 -0.184 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.508 0.507 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.990 1.222 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.571 0.133 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.002 -1.467 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.424 -1.313 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.850 0.395 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.748 -0.514 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.290 -1.240 2.193 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.789 -2.610 6.776 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.830 -3.422 7.971 1.00 0.00 C ATOM 1450 C GLN A 92 -5.133 -4.867 7.601 1.00 0.00 C ATOM 1451 O GLN A 92 -4.647 -5.794 8.249 1.00 0.00 O ATOM 1452 CB GLN A 92 -5.882 -2.884 8.936 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.372 -1.738 9.790 1.00 0.00 C ATOM 1454 CD GLN A 92 -5.165 -0.461 9.003 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.182 -0.470 8.109 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -5.879 0.524 9.194 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.406 -1.798 6.795 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.859 -3.383 8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.750 -2.549 8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.219 -3.692 9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.080 -1.550 10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.430 -2.029 10.254 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.623 0.487 9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -5.727 1.377 8.655 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.923 -5.060 6.541 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.251 -6.404 6.098 1.00 0.00 C ATOM 1467 C TYR A 93 -5.010 -7.077 5.520 1.00 0.00 C ATOM 1468 O TYR A 93 -4.764 -8.257 5.770 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.385 -6.376 5.074 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.018 -6.962 3.733 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.882 -8.334 3.559 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.818 -6.140 2.636 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.556 -8.866 2.325 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.491 -6.663 1.403 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.363 -8.027 1.251 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.045 -8.553 0.021 1.00 0.00 O ATOM 0 H TYR A 93 -6.338 -4.312 5.986 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.594 -6.983 6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.237 -6.923 5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.707 -5.344 4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.033 -8.995 4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.920 -5.071 2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.453 -9.934 2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.336 -6.007 0.560 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.270 -9.507 0.005 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.207 -6.314 4.771 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.979 -6.851 4.204 1.00 0.00 C ATOM 1488 C HIS A 94 -1.845 -6.705 5.211 1.00 0.00 C ATOM 1489 O HIS A 94 -0.834 -7.405 5.140 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.627 -6.135 2.902 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.007 -6.893 1.670 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.045 -6.511 0.851 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.481 -8.010 1.115 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.146 -7.360 -0.154 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -3.207 -8.279 -0.020 1.00 0.00 N ATOM 0 H HIS A 94 -4.387 -5.335 4.549 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.127 -7.907 3.980 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.123 -5.165 2.887 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.554 -5.944 2.883 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.643 -5.698 0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.647 -8.582 1.493 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.873 -7.312 -0.951 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.047 -9.061 -0.655 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.031 -5.791 6.159 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.040 -5.543 7.200 1.00 0.00 C ATOM 1506 C GLN A 95 -1.073 -6.655 8.243 1.00 0.00 C ATOM 1507 O GLN A 95 -0.034 -7.186 8.636 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.309 -4.197 7.873 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.132 -3.238 7.817 1.00 0.00 C ATOM 1510 CD GLN A 95 0.055 -2.467 9.108 1.00 0.00 C ATOM 1511 OE1 GLN A 95 1.010 -2.697 9.851 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.859 -1.543 9.384 1.00 0.00 N ATOM 0 H GLN A 95 -2.864 -5.207 6.227 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.053 -5.522 6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.170 -3.729 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.576 -4.369 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.777 -3.798 7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.280 -2.535 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.635 -1.385 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.785 -0.992 10.239 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.278 -6.999 8.687 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.461 -8.046 9.684 1.00 0.00 C ATOM 1523 C TYR A 96 -2.664 -9.403 9.019 1.00 0.00 C ATOM 1524 O TYR A 96 -1.731 -10.200 8.912 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.659 -7.718 10.576 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.320 -6.811 11.736 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.933 -5.494 11.520 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.385 -7.270 13.045 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.621 -4.661 12.576 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.075 -6.441 14.107 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.694 -5.138 13.867 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.384 -4.311 14.922 1.00 0.00 O ATOM 0 H TYR A 96 -3.145 -6.565 8.370 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.560 -8.095 10.296 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.433 -7.246 9.971 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.078 -8.647 10.963 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.875 -5.116 10.510 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.682 -8.290 13.236 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.321 -3.640 12.391 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.131 -6.812 15.120 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.487 -4.802 15.764 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.891 -9.659 8.576 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.219 -10.921 7.922 1.00 0.00 C ATOM 1544 C ASN A 97 -3.091 -11.362 6.995 1.00 0.00 C ATOM 1545 O ASN A 97 -2.274 -12.209 7.355 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.521 -10.786 7.130 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.622 -10.126 7.937 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.251 -9.109 7.359 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -6.905 -10.525 9.067 1.00 0.00 N flip ATOM 0 H ASN A 97 -4.674 -9.010 8.658 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.348 -11.679 8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.336 -10.203 6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.852 -11.774 6.809 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.396 -11.310 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.649 -10.070 9.597 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.053 -10.782 5.800 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.022 -11.127 4.840 1.00 0.00 C ATOM 1558 C GLY A 98 -2.589 -11.463 3.475 1.00 0.00 C ATOM 1559 O GLY A 98 -2.523 -12.610 3.033 1.00 0.00 O ATOM 0 H GLY A 98 -3.719 -10.079 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.325 -10.294 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.453 -11.978 5.213 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.149 -10.460 2.807 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.722 -10.674 1.492 1.00 0.00 C ATOM 1565 C GLY A 99 -2.722 -11.252 0.510 1.00 0.00 C ATOM 1566 O GLY A 99 -2.293 -10.571 -0.422 1.00 0.00 O ATOM 0 H GLY A 99 -3.216 -9.503 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.575 -11.348 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.100 -9.728 1.106 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.352 -12.512 0.717 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.400 -13.162 -0.165 1.00 0.00 C ATOM 1572 C GLY A 100 -0.661 -12.176 -1.048 1.00 0.00 C ATOM 1573 O GLY A 100 -1.031 -11.969 -2.204 1.00 0.00 O ATOM 0 H GLY A 100 -2.695 -13.095 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.680 -13.721 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.924 -13.884 -0.791 1.00 0.00 H new ATOM 1577 N LEU A 101 0.384 -11.564 -0.502 1.00 0.00 N ATOM 1578 CA LEU A 101 1.176 -10.592 -1.247 1.00 0.00 C ATOM 1579 C LEU A 101 2.640 -10.648 -0.826 1.00 0.00 C ATOM 1580 O LEU A 101 2.972 -11.176 0.235 1.00 0.00 O ATOM 1581 CB LEU A 101 0.625 -9.183 -1.028 1.00 0.00 C ATOM 1582 CG LEU A 101 0.334 -8.396 -2.305 1.00 0.00 C ATOM 1583 CD1 LEU A 101 1.590 -8.279 -3.156 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.789 -9.057 -3.090 1.00 0.00 C ATOM 0 H LEU A 101 0.702 -11.724 0.454 1.00 0.00 H new ATOM 0 HA LEU A 101 1.111 -10.841 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.294 -9.255 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.339 -8.620 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 101 0.014 -7.391 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.365 -7.716 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.366 -7.762 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.941 -9.275 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.985 -8.485 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.497 -10.073 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.691 -9.088 -2.479 1.00 0.00 H new ATOM 1596 N VAL A 102 3.514 -10.097 -1.664 1.00 0.00 N ATOM 1597 CA VAL A 102 4.941 -10.085 -1.372 1.00 0.00 C ATOM 1598 C VAL A 102 5.189 -10.217 0.126 1.00 0.00 C ATOM 1599 O VAL A 102 6.097 -10.926 0.557 1.00 0.00 O ATOM 1600 CB VAL A 102 5.608 -8.792 -1.878 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.616 -7.732 -0.787 1.00 0.00 C ATOM 1602 CG2 VAL A 102 7.021 -9.077 -2.366 1.00 0.00 C ATOM 0 H VAL A 102 3.259 -9.655 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 102 5.380 -10.937 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 102 5.028 -8.410 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.091 -6.826 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.591 -7.508 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.171 -8.101 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.477 -8.152 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.614 -9.484 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.986 -9.799 -3.182 1.00 0.00 H new ATOM 1612 N THR A 103 4.369 -9.529 0.913 1.00 0.00 N ATOM 1613 CA THR A 103 4.491 -9.567 2.365 1.00 0.00 C ATOM 1614 C THR A 103 3.277 -8.924 3.029 1.00 0.00 C ATOM 1615 O THR A 103 3.331 -8.533 4.194 1.00 0.00 O ATOM 1616 CB THR A 103 5.767 -8.852 2.809 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.695 -7.468 2.514 1.00 0.00 O ATOM 1618 CG2 THR A 103 7.018 -9.396 2.154 1.00 0.00 C ATOM 0 H THR A 103 3.612 -8.938 0.569 1.00 0.00 H new ATOM 0 HA THR A 103 4.542 -10.611 2.674 1.00 0.00 H new ATOM 0 HB THR A 103 5.835 -9.024 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.017 -7.316 1.823 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.886 -8.844 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.130 -10.451 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.940 -9.285 1.072 1.00 0.00 H new ATOM 1626 N ARG A 104 2.182 -8.822 2.280 1.00 0.00 N ATOM 1627 CA ARG A 104 0.955 -8.228 2.799 1.00 0.00 C ATOM 1628 C ARG A 104 1.271 -7.181 3.864 1.00 0.00 C ATOM 1629 O ARG A 104 1.608 -7.518 4.999 1.00 0.00 O ATOM 1630 CB ARG A 104 0.051 -9.316 3.382 1.00 0.00 C ATOM 1631 CG ARG A 104 0.779 -10.289 4.293 1.00 0.00 C ATOM 1632 CD ARG A 104 0.592 -9.930 5.758 1.00 0.00 C ATOM 1633 NE ARG A 104 1.737 -10.331 6.570 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.239 -9.589 7.552 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.698 -8.415 7.842 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.284 -10.023 8.244 1.00 0.00 N ATOM 0 H ARG A 104 2.120 -9.143 1.314 1.00 0.00 H new ATOM 0 HA ARG A 104 0.435 -7.736 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.757 -8.844 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.408 -9.871 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.411 -11.299 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.842 -10.290 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.440 -8.855 5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.308 -10.413 6.138 1.00 0.00 H new ATOM 0 HE ARG A 104 2.176 -11.230 6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.894 -8.079 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.085 -7.847 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.703 -10.926 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.669 -9.453 8.997 1.00 0.00 H new ATOM 1650 N LEU A 105 1.170 -5.909 3.487 1.00 0.00 N ATOM 1651 CA LEU A 105 1.457 -4.815 4.410 1.00 0.00 C ATOM 1652 C LEU A 105 2.299 -5.309 5.580 1.00 0.00 C ATOM 1653 O LEU A 105 1.905 -5.191 6.740 1.00 0.00 O ATOM 1654 CB LEU A 105 0.161 -4.179 4.921 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.498 -3.202 3.960 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.470 -2.818 2.872 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.750 -3.794 3.351 1.00 0.00 C ATOM 0 H LEU A 105 0.892 -5.611 2.552 1.00 0.00 H new ATOM 0 HA LEU A 105 2.022 -4.056 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.549 -4.973 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.373 -3.659 5.855 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.782 -2.313 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.010 -2.118 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.348 -2.348 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.774 -3.710 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.199 -3.072 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.494 -4.701 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.460 -4.036 4.142 1.00 0.00 H new ATOM 1669 N ARG A 106 3.463 -5.869 5.262 1.00 0.00 N ATOM 1670 CA ARG A 106 4.369 -6.390 6.278 1.00 0.00 C ATOM 1671 C ARG A 106 4.787 -5.299 7.257 1.00 0.00 C ATOM 1672 O ARG A 106 4.883 -5.537 8.461 1.00 0.00 O ATOM 1673 CB ARG A 106 5.608 -6.999 5.619 1.00 0.00 C ATOM 1674 CG ARG A 106 6.438 -7.857 6.560 1.00 0.00 C ATOM 1675 CD ARG A 106 5.588 -8.912 7.247 1.00 0.00 C ATOM 1676 NE ARG A 106 5.712 -8.854 8.701 1.00 0.00 N ATOM 1677 CZ ARG A 106 5.740 -9.930 9.480 1.00 0.00 C ATOM 1678 NH1 ARG A 106 5.652 -11.141 8.947 1.00 0.00 N ATOM 1679 NH2 ARG A 106 5.856 -9.796 10.794 1.00 0.00 N ATOM 0 H ARG A 106 3.801 -5.973 4.305 1.00 0.00 H new ATOM 0 HA ARG A 106 3.839 -7.163 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.296 -7.605 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.232 -6.196 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.239 -8.341 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.910 -7.223 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.544 -8.775 6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.885 -9.901 6.897 1.00 0.00 H new ATOM 0 HE ARG A 106 5.781 -7.937 9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.563 -11.248 7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.674 -11.965 9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.924 -8.866 11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.877 -10.623 11.391 1.00 0.00 H new ATOM 1693 N TYR A 107 5.035 -4.100 6.737 1.00 0.00 N ATOM 1694 CA TYR A 107 5.442 -2.980 7.577 1.00 0.00 C ATOM 1695 C TYR A 107 5.300 -1.655 6.840 1.00 0.00 C ATOM 1696 O TYR A 107 6.153 -1.285 6.032 1.00 0.00 O ATOM 1697 CB TYR A 107 6.887 -3.151 8.043 1.00 0.00 C ATOM 1698 CG TYR A 107 7.321 -2.083 9.018 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.852 -2.082 10.324 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.188 -1.069 8.631 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.233 -1.103 11.218 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.575 -0.087 9.520 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.096 -0.106 10.812 1.00 0.00 C ATOM 1704 OH TYR A 107 8.478 0.872 11.701 1.00 0.00 O ATOM 0 H TYR A 107 4.962 -3.881 5.744 1.00 0.00 H new ATOM 0 HA TYR A 107 4.783 -2.968 8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.999 -4.129 8.510 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.547 -3.134 7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.177 -2.861 10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.565 -1.049 7.619 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.858 -1.117 12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.251 0.694 9.204 1.00 0.00 H new ATOM 0 HH TYR A 107 9.089 1.497 11.257 1.00 0.00 H new ATOM 1714 N PRO A 108 4.218 -0.917 7.117 1.00 0.00 N ATOM 1715 CA PRO A 108 3.963 0.379 6.490 1.00 0.00 C ATOM 1716 C PRO A 108 5.118 1.357 6.692 1.00 0.00 C ATOM 1717 O PRO A 108 5.447 1.721 7.821 1.00 0.00 O ATOM 1718 CB PRO A 108 2.700 0.886 7.199 1.00 0.00 C ATOM 1719 CG PRO A 108 2.571 0.049 8.424 1.00 0.00 C ATOM 1720 CD PRO A 108 3.158 -1.282 8.066 1.00 0.00 C ATOM 0 HA PRO A 108 3.849 0.290 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.789 1.942 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.823 0.784 6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.102 0.498 9.263 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.527 -0.050 8.723 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.556 -1.798 8.940 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.419 -1.943 7.614 1.00 0.00 H new ATOM 1728 N VAL A 109 5.726 1.782 5.589 1.00 0.00 N ATOM 1729 CA VAL A 109 6.835 2.720 5.631 1.00 0.00 C ATOM 1730 C VAL A 109 6.333 4.140 5.440 1.00 0.00 C ATOM 1731 O VAL A 109 5.635 4.433 4.471 1.00 0.00 O ATOM 1732 CB VAL A 109 7.868 2.419 4.532 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.541 1.075 4.772 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.207 2.462 3.162 1.00 0.00 C ATOM 0 H VAL A 109 5.464 1.487 4.649 1.00 0.00 H new ATOM 0 HA VAL A 109 7.309 2.614 6.607 1.00 0.00 H new ATOM 0 HB VAL A 109 8.641 3.187 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.267 0.885 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.050 1.090 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.789 0.286 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.949 2.247 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.413 1.717 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.785 3.453 2.992 1.00 0.00 H new ATOM 1744 N CYS A 110 6.683 5.024 6.364 1.00 0.00 N ATOM 1745 CA CYS A 110 6.252 6.409 6.280 1.00 0.00 C ATOM 1746 C CYS A 110 7.453 7.342 6.204 1.00 0.00 C ATOM 1747 O CYS A 110 7.940 7.834 7.220 1.00 0.00 O ATOM 1748 CB CYS A 110 5.371 6.763 7.480 1.00 0.00 C ATOM 1749 SG CYS A 110 5.650 8.422 8.142 1.00 0.00 S ATOM 0 H CYS A 110 7.261 4.807 7.176 1.00 0.00 H new ATOM 0 HA CYS A 110 5.666 6.534 5.369 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.325 6.672 7.188 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.545 6.034 8.272 1.00 0.00 H new ATOM 0 HG CYS A 110 6.893 8.758 7.961 1.00 0.00 H new ATOM 1755 N GLY A 111 7.922 7.577 4.984 1.00 0.00 N ATOM 1756 CA GLY A 111 9.064 8.450 4.783 1.00 0.00 C ATOM 1757 C GLY A 111 8.656 9.876 4.469 1.00 0.00 C ATOM 1758 O GLY A 111 9.505 10.757 4.340 1.00 0.00 O ATOM 0 H GLY A 111 7.532 7.179 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.685 8.442 5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.675 8.062 3.968 1.00 0.00 H new HETATM 1762 N NH2 A 112 7.355 10.113 4.341 1.00 0.00 N TER 1765 NH2 A 112