USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 HIS :FLIP no HD1:sc= -0.0547 X(o=-0.64,f=-0.53) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -0.48 X(o=-0.95,f=-0.53) USER MOD Set 2.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.0667 X(o=-0.067,f=-0.028) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0819 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0479 K(o=-0.048,f=-1.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 23:sc= 0.389 USER MOD Single : A 43 TYR OH : rot -30:sc= -0.74 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-3.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 60 CYS SG : rot -5:sc= -2.71! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 90:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0.022) USER MOD Single : A 77 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.93) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.5) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : A 100 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.2) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -132:sc= -0.749 (180deg=-1.29) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 146:sc= -0.039 (180deg=-1.55!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0047 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.670 32.382 4.738 1.00 0.00 N ATOM 2 CA GLY A 1 19.073 31.859 3.523 1.00 0.00 C ATOM 3 C GLY A 1 18.547 30.448 3.696 1.00 0.00 C ATOM 4 O GLY A 1 18.696 29.849 4.761 1.00 0.00 O ATOM 0 H1 GLY A 1 19.192 33.266 5.007 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.566 31.685 5.503 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.680 32.570 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.257 32.512 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.814 31.872 2.723 1.00 0.00 H new ATOM 8 N SER A 2 17.928 29.917 2.647 1.00 0.00 N ATOM 9 CA SER A 2 17.372 28.569 2.689 1.00 0.00 C ATOM 10 C SER A 2 17.224 27.998 1.282 1.00 0.00 C ATOM 11 O SER A 2 16.754 28.678 0.371 1.00 0.00 O ATOM 12 CB SER A 2 16.014 28.576 3.395 1.00 0.00 C ATOM 13 OG SER A 2 14.995 29.055 2.534 1.00 0.00 O ATOM 0 H SER A 2 17.799 30.399 1.757 1.00 0.00 H new ATOM 0 HA SER A 2 18.061 27.936 3.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.769 27.568 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.067 29.202 4.285 1.00 0.00 H new ATOM 0 HG SER A 2 14.137 29.048 3.007 1.00 0.00 H new ATOM 19 N SER A 3 17.629 26.743 1.114 1.00 0.00 N ATOM 20 CA SER A 3 17.546 26.080 -0.182 1.00 0.00 C ATOM 21 C SER A 3 16.108 26.063 -0.692 1.00 0.00 C ATOM 22 O SER A 3 15.291 25.255 -0.254 1.00 0.00 O ATOM 23 CB SER A 3 18.080 24.650 -0.082 1.00 0.00 C ATOM 24 OG SER A 3 18.437 24.148 -1.358 1.00 0.00 O ATOM 0 H SER A 3 18.018 26.165 1.859 1.00 0.00 H new ATOM 0 HA SER A 3 18.158 26.640 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.948 24.628 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.323 24.007 0.367 1.00 0.00 H new ATOM 0 HG SER A 3 18.777 23.233 -1.266 1.00 0.00 H new ATOM 30 N GLY A 4 15.807 26.964 -1.623 1.00 0.00 N ATOM 31 CA GLY A 4 14.468 27.038 -2.178 1.00 0.00 C ATOM 32 C GLY A 4 13.933 28.455 -2.217 1.00 0.00 C ATOM 33 O GLY A 4 14.308 29.290 -1.394 1.00 0.00 O ATOM 0 H GLY A 4 16.466 27.643 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.474 26.627 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.798 26.416 -1.585 1.00 0.00 H new ATOM 37 N SER A 5 13.055 28.729 -3.177 1.00 0.00 N ATOM 38 CA SER A 5 12.472 30.057 -3.324 1.00 0.00 C ATOM 39 C SER A 5 11.168 30.167 -2.540 1.00 0.00 C ATOM 40 O SER A 5 10.557 31.234 -2.477 1.00 0.00 O ATOM 41 CB SER A 5 12.221 30.367 -4.801 1.00 0.00 C ATOM 42 OG SER A 5 11.580 29.282 -5.448 1.00 0.00 O ATOM 0 H SER A 5 12.732 28.048 -3.865 1.00 0.00 H new ATOM 0 HA SER A 5 13.179 30.784 -2.924 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.605 31.262 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.168 30.582 -5.297 1.00 0.00 H new ATOM 0 HG SER A 5 11.429 29.506 -6.390 1.00 0.00 H new ATOM 48 N SER A 6 10.746 29.056 -1.946 1.00 0.00 N ATOM 49 CA SER A 6 9.512 29.025 -1.170 1.00 0.00 C ATOM 50 C SER A 6 9.811 29.034 0.327 1.00 0.00 C ATOM 51 O SER A 6 10.786 28.437 0.780 1.00 0.00 O ATOM 52 CB SER A 6 8.689 27.786 -1.529 1.00 0.00 C ATOM 53 OG SER A 6 9.322 26.603 -1.072 1.00 0.00 O ATOM 0 H SER A 6 11.241 28.165 -1.987 1.00 0.00 H new ATOM 0 HA SER A 6 8.937 29.918 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.696 27.865 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.554 27.736 -2.609 1.00 0.00 H new ATOM 0 HG SER A 6 8.775 25.826 -1.312 1.00 0.00 H new ATOM 59 N GLY A 7 8.963 29.718 1.089 1.00 0.00 N ATOM 60 CA GLY A 7 9.152 29.793 2.526 1.00 0.00 C ATOM 61 C GLY A 7 8.383 28.719 3.269 1.00 0.00 C ATOM 62 O GLY A 7 8.711 27.537 3.177 1.00 0.00 O ATOM 0 H GLY A 7 8.149 30.221 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.214 29.700 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.835 30.774 2.880 1.00 0.00 H new ATOM 66 N GLU A 8 7.358 29.132 4.009 1.00 0.00 N ATOM 67 CA GLU A 8 6.543 28.195 4.773 1.00 0.00 C ATOM 68 C GLU A 8 5.717 27.310 3.844 1.00 0.00 C ATOM 69 O GLU A 8 5.574 27.601 2.657 1.00 0.00 O ATOM 70 CB GLU A 8 5.618 28.952 5.729 1.00 0.00 C ATOM 71 CG GLU A 8 6.359 29.787 6.759 1.00 0.00 C ATOM 72 CD GLU A 8 6.901 31.080 6.182 1.00 0.00 C ATOM 73 OE1 GLU A 8 6.294 31.604 5.224 1.00 0.00 O ATOM 74 OE2 GLU A 8 7.933 31.569 6.688 1.00 0.00 O ATOM 0 H GLU A 8 7.073 30.108 4.095 1.00 0.00 H new ATOM 0 HA GLU A 8 7.212 27.559 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.964 29.603 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.979 28.236 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.687 30.016 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.183 29.203 7.170 1.00 0.00 H new ATOM 81 N GLU A 9 5.177 26.226 4.394 1.00 0.00 N ATOM 82 CA GLU A 9 4.368 25.297 3.615 1.00 0.00 C ATOM 83 C GLU A 9 3.056 24.987 4.330 1.00 0.00 C ATOM 84 O GLU A 9 3.040 24.301 5.352 1.00 0.00 O ATOM 85 CB GLU A 9 5.141 24.002 3.360 1.00 0.00 C ATOM 86 CG GLU A 9 5.894 23.493 4.578 1.00 0.00 C ATOM 87 CD GLU A 9 6.813 22.331 4.253 1.00 0.00 C ATOM 88 OE1 GLU A 9 6.386 21.432 3.499 1.00 0.00 O ATOM 89 OE2 GLU A 9 7.957 22.321 4.752 1.00 0.00 O ATOM 0 H GLU A 9 5.286 25.970 5.375 1.00 0.00 H new ATOM 0 HA GLU A 9 4.139 25.768 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.445 23.233 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.849 24.165 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.481 24.307 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.178 23.183 5.340 1.00 0.00 H new ATOM 96 N ASP A 10 1.957 25.498 3.785 1.00 0.00 N ATOM 97 CA ASP A 10 0.640 25.276 4.370 1.00 0.00 C ATOM 98 C ASP A 10 0.045 23.959 3.884 1.00 0.00 C ATOM 99 O ASP A 10 -1.113 23.905 3.468 1.00 0.00 O ATOM 100 CB ASP A 10 -0.298 26.433 4.021 1.00 0.00 C ATOM 101 CG ASP A 10 -0.483 26.597 2.525 1.00 0.00 C ATOM 102 OD1 ASP A 10 0.460 26.277 1.772 1.00 0.00 O ATOM 103 OD2 ASP A 10 -1.571 27.047 2.107 1.00 0.00 O ATOM 0 H ASP A 10 1.952 26.068 2.939 1.00 0.00 H new ATOM 0 HA ASP A 10 0.754 25.225 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.268 26.264 4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.100 27.358 4.439 1.00 0.00 H new ATOM 108 N TRP A 11 0.844 22.899 3.938 1.00 0.00 N ATOM 109 CA TRP A 11 0.396 21.581 3.502 1.00 0.00 C ATOM 110 C TRP A 11 1.046 20.482 4.335 1.00 0.00 C ATOM 111 O TRP A 11 2.272 20.386 4.405 1.00 0.00 O ATOM 112 CB TRP A 11 0.719 21.375 2.021 1.00 0.00 C ATOM 113 CG TRP A 11 -0.120 20.315 1.373 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.002 19.475 1.992 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.153 19.980 -0.019 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.581 18.639 1.068 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.078 18.929 -0.173 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.507 20.468 -1.150 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.356 18.359 -1.412 1.00 0.00 C ATOM 120 CZ3 TRP A 11 0.230 19.900 -2.379 1.00 0.00 C ATOM 121 CH2 TRP A 11 -0.696 18.855 -2.502 1.00 0.00 C ATOM 0 H TRP A 11 1.805 22.926 4.279 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.684 21.526 3.642 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.576 22.316 1.491 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.771 21.109 1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.213 19.469 3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.274 17.919 1.273 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.221 21.274 -1.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.068 17.553 -1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.736 20.268 -3.260 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.892 18.433 -3.477 1.00 0.00 H new ATOM 132 N VAL A 12 0.219 19.655 4.966 1.00 0.00 N ATOM 133 CA VAL A 12 0.714 18.561 5.793 1.00 0.00 C ATOM 134 C VAL A 12 1.289 17.440 4.935 1.00 0.00 C ATOM 135 O VAL A 12 2.361 16.907 5.227 1.00 0.00 O ATOM 136 CB VAL A 12 -0.399 17.987 6.690 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.108 16.780 7.463 1.00 0.00 C ATOM 138 CG2 VAL A 12 -0.924 19.056 7.637 1.00 0.00 C ATOM 0 H VAL A 12 -0.798 19.722 4.920 1.00 0.00 H new ATOM 0 HA VAL A 12 1.502 18.973 6.423 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.223 17.661 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.692 16.388 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.431 16.009 6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.949 17.076 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.710 18.633 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.111 19.415 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.328 19.887 7.059 1.00 0.00 H new ATOM 148 N LEU A 13 0.571 17.086 3.875 1.00 0.00 N ATOM 149 CA LEU A 13 1.010 16.027 2.972 1.00 0.00 C ATOM 150 C LEU A 13 2.531 16.013 2.849 1.00 0.00 C ATOM 151 O LEU A 13 3.194 15.025 3.164 1.00 0.00 O ATOM 152 CB LEU A 13 0.377 16.212 1.592 1.00 0.00 C ATOM 153 CG LEU A 13 1.225 15.768 0.400 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.391 14.257 0.395 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.601 16.243 -0.905 1.00 0.00 C ATOM 0 H LEU A 13 -0.318 17.516 3.619 1.00 0.00 H new ATOM 0 HA LEU A 13 0.688 15.072 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.563 15.661 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.132 17.266 1.465 1.00 0.00 H new ATOM 0 HG LEU A 13 2.212 16.220 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.997 13.960 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.883 13.942 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.412 13.784 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.218 15.918 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.399 15.821 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.536 17.331 -0.903 1.00 0.00 H new ATOM 167 N PRO A 14 3.097 17.135 2.381 1.00 0.00 N ATOM 168 CA PRO A 14 4.546 17.277 2.208 1.00 0.00 C ATOM 169 C PRO A 14 5.285 17.342 3.540 1.00 0.00 C ATOM 170 O PRO A 14 6.420 16.879 3.655 1.00 0.00 O ATOM 171 CB PRO A 14 4.685 18.602 1.455 1.00 0.00 C ATOM 172 CG PRO A 14 3.459 19.371 1.811 1.00 0.00 C ATOM 173 CD PRO A 14 2.368 18.351 1.986 1.00 0.00 C ATOM 0 HA PRO A 14 4.979 16.425 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.587 19.135 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.753 18.441 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.609 19.943 2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.204 20.085 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.652 18.656 2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.807 18.201 1.064 1.00 0.00 H new ATOM 181 N SER A 15 4.635 17.918 4.546 1.00 0.00 N ATOM 182 CA SER A 15 5.232 18.047 5.870 1.00 0.00 C ATOM 183 C SER A 15 5.494 16.674 6.483 1.00 0.00 C ATOM 184 O SER A 15 6.423 16.503 7.272 1.00 0.00 O ATOM 185 CB SER A 15 4.319 18.862 6.788 1.00 0.00 C ATOM 186 OG SER A 15 5.011 19.284 7.950 1.00 0.00 O ATOM 0 H SER A 15 3.694 18.303 4.469 1.00 0.00 H new ATOM 0 HA SER A 15 6.184 18.567 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.940 19.731 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.455 18.262 7.073 1.00 0.00 H new ATOM 0 HG SER A 15 4.407 19.804 8.520 1.00 0.00 H new ATOM 192 N GLU A 16 4.669 15.700 6.113 1.00 0.00 N ATOM 193 CA GLU A 16 4.811 14.343 6.627 1.00 0.00 C ATOM 194 C GLU A 16 5.814 13.549 5.796 1.00 0.00 C ATOM 195 O GLU A 16 6.703 12.891 6.337 1.00 0.00 O ATOM 196 CB GLU A 16 3.457 13.631 6.629 1.00 0.00 C ATOM 197 CG GLU A 16 2.352 14.425 7.305 1.00 0.00 C ATOM 198 CD GLU A 16 2.626 14.672 8.776 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.314 13.836 9.398 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.154 15.700 9.304 1.00 0.00 O ATOM 0 H GLU A 16 3.896 15.825 5.460 1.00 0.00 H new ATOM 0 HA GLU A 16 5.182 14.406 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.165 13.422 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.562 12.670 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.234 15.382 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.409 13.889 7.200 1.00 0.00 H new ATOM 207 N VAL A 17 5.665 13.615 4.476 1.00 0.00 N ATOM 208 CA VAL A 17 6.557 12.903 3.569 1.00 0.00 C ATOM 209 C VAL A 17 8.016 13.244 3.854 1.00 0.00 C ATOM 210 O VAL A 17 8.917 12.472 3.530 1.00 0.00 O ATOM 211 CB VAL A 17 6.242 13.233 2.098 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.130 12.422 1.167 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.772 12.980 1.799 1.00 0.00 C ATOM 0 H VAL A 17 4.935 14.155 4.012 1.00 0.00 H new ATOM 0 HA VAL A 17 6.396 11.838 3.737 1.00 0.00 H new ATOM 0 HB VAL A 17 6.448 14.290 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.893 12.668 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.176 12.657 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.958 11.359 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.567 13.218 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.538 11.932 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.156 13.609 2.443 1.00 0.00 H new ATOM 223 N GLU A 18 8.239 14.405 4.461 1.00 0.00 N ATOM 224 CA GLU A 18 9.589 14.847 4.789 1.00 0.00 C ATOM 225 C GLU A 18 10.176 14.011 5.923 1.00 0.00 C ATOM 226 O GLU A 18 11.368 13.706 5.931 1.00 0.00 O ATOM 227 CB GLU A 18 9.584 16.326 5.181 1.00 0.00 C ATOM 228 CG GLU A 18 9.662 17.271 3.994 1.00 0.00 C ATOM 229 CD GLU A 18 10.943 17.105 3.200 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.992 17.606 3.656 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.896 16.476 2.122 1.00 0.00 O ATOM 0 H GLU A 18 7.503 15.056 4.735 1.00 0.00 H new ATOM 0 HA GLU A 18 10.212 14.715 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.677 16.540 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.426 16.520 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.808 17.097 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.589 18.299 4.348 1.00 0.00 H new ATOM 238 N VAL A 19 9.329 13.645 6.880 1.00 0.00 N ATOM 239 CA VAL A 19 9.762 12.844 8.018 1.00 0.00 C ATOM 240 C VAL A 19 9.672 11.354 7.708 1.00 0.00 C ATOM 241 O VAL A 19 10.359 10.538 8.324 1.00 0.00 O ATOM 242 CB VAL A 19 8.918 13.148 9.271 1.00 0.00 C ATOM 243 CG1 VAL A 19 7.461 12.780 9.036 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.475 12.410 10.479 1.00 0.00 C ATOM 0 H VAL A 19 8.339 13.891 6.889 1.00 0.00 H new ATOM 0 HA VAL A 19 10.801 13.109 8.215 1.00 0.00 H new ATOM 0 HB VAL A 19 8.969 14.218 9.472 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.881 13.002 9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.070 13.358 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.386 11.716 8.809 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.867 12.636 11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.455 11.337 10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.502 12.728 10.658 1.00 0.00 H new ATOM 254 N LEU A 20 8.822 11.005 6.749 1.00 0.00 N ATOM 255 CA LEU A 20 8.643 9.612 6.355 1.00 0.00 C ATOM 256 C LEU A 20 9.797 9.142 5.477 1.00 0.00 C ATOM 257 O LEU A 20 10.458 8.150 5.783 1.00 0.00 O ATOM 258 CB LEU A 20 7.317 9.439 5.611 1.00 0.00 C ATOM 259 CG LEU A 20 6.053 9.752 6.411 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.869 9.961 5.479 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.760 8.636 7.404 1.00 0.00 C ATOM 0 H LEU A 20 8.246 11.667 6.230 1.00 0.00 H new ATOM 0 HA LEU A 20 8.628 9.003 7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.332 10.079 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.253 8.410 5.257 1.00 0.00 H new ATOM 0 HG LEU A 20 6.219 10.674 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.978 10.183 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.077 10.794 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.702 9.056 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.857 8.876 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.615 7.699 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.598 8.533 8.093 1.00 0.00 H new ATOM 273 N GLU A 21 10.036 9.862 4.385 1.00 0.00 N ATOM 274 CA GLU A 21 11.112 9.518 3.464 1.00 0.00 C ATOM 275 C GLU A 21 12.368 9.103 4.225 1.00 0.00 C ATOM 276 O GLU A 21 13.009 8.108 3.889 1.00 0.00 O ATOM 277 CB GLU A 21 11.426 10.702 2.547 1.00 0.00 C ATOM 278 CG GLU A 21 10.468 10.836 1.375 1.00 0.00 C ATOM 279 CD GLU A 21 10.707 12.097 0.567 1.00 0.00 C ATOM 280 OE1 GLU A 21 10.564 13.201 1.134 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.036 11.979 -0.632 1.00 0.00 O ATOM 0 H GLU A 21 9.499 10.687 4.117 1.00 0.00 H new ATOM 0 HA GLU A 21 10.781 8.675 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.401 11.621 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.441 10.595 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.572 9.967 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.443 10.836 1.746 1.00 0.00 H new ATOM 288 N SER A 22 12.713 9.874 5.251 1.00 0.00 N ATOM 289 CA SER A 22 13.894 9.589 6.058 1.00 0.00 C ATOM 290 C SER A 22 13.928 8.122 6.472 1.00 0.00 C ATOM 291 O SER A 22 14.987 7.493 6.482 1.00 0.00 O ATOM 292 CB SER A 22 13.917 10.483 7.300 1.00 0.00 C ATOM 293 OG SER A 22 13.954 11.853 6.941 1.00 0.00 O ATOM 0 H SER A 22 12.192 10.701 5.543 1.00 0.00 H new ATOM 0 HA SER A 22 14.776 9.798 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.035 10.287 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.787 10.240 7.911 1.00 0.00 H new ATOM 0 HG SER A 22 13.966 12.403 7.752 1.00 0.00 H new ATOM 299 N ILE A 23 12.763 7.583 6.814 1.00 0.00 N ATOM 300 CA ILE A 23 12.658 6.189 7.228 1.00 0.00 C ATOM 301 C ILE A 23 12.517 5.266 6.022 1.00 0.00 C ATOM 302 O ILE A 23 13.307 4.339 5.841 1.00 0.00 O ATOM 303 CB ILE A 23 11.460 5.970 8.171 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.633 6.792 9.450 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.308 4.493 8.500 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.325 7.149 10.120 1.00 0.00 C ATOM 0 H ILE A 23 11.878 8.090 6.813 1.00 0.00 H new ATOM 0 HA ILE A 23 13.578 5.948 7.761 1.00 0.00 H new ATOM 0 HB ILE A 23 10.553 6.304 7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.250 6.231 10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.173 7.709 9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.457 4.355 9.167 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.144 3.931 7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.214 4.134 8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.524 7.731 11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.714 7.737 9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.793 6.236 10.389 1.00 0.00 H new ATOM 318 N TYR A 24 11.508 5.527 5.199 1.00 0.00 N ATOM 319 CA TYR A 24 11.263 4.719 4.010 1.00 0.00 C ATOM 320 C TYR A 24 11.957 5.320 2.792 1.00 0.00 C ATOM 321 O TYR A 24 11.409 5.323 1.689 1.00 0.00 O ATOM 322 CB TYR A 24 9.760 4.602 3.749 1.00 0.00 C ATOM 323 CG TYR A 24 8.962 4.211 4.972 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.231 3.030 5.654 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.939 5.022 5.446 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.503 2.669 6.771 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.207 4.670 6.564 1.00 0.00 C ATOM 328 CZ TYR A 24 7.493 3.492 7.222 1.00 0.00 C ATOM 329 OH TYR A 24 6.766 3.136 8.336 1.00 0.00 O ATOM 0 H TYR A 24 10.846 6.292 5.333 1.00 0.00 H new ATOM 0 HA TYR A 24 11.673 3.724 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.390 5.556 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.592 3.864 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.023 2.384 5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.712 5.944 4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.724 1.747 7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.416 5.313 6.920 1.00 0.00 H new ATOM 0 HH TYR A 24 6.094 3.824 8.521 1.00 0.00 H new ATOM 339 N LEU A 25 13.167 5.827 2.998 1.00 0.00 N ATOM 340 CA LEU A 25 13.939 6.430 1.917 1.00 0.00 C ATOM 341 C LEU A 25 13.675 5.716 0.596 1.00 0.00 C ATOM 342 O LEU A 25 13.133 6.304 -0.341 1.00 0.00 O ATOM 343 CB LEU A 25 15.432 6.386 2.244 1.00 0.00 C ATOM 344 CG LEU A 25 15.930 7.424 3.251 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.257 6.989 3.854 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.066 8.787 2.588 1.00 0.00 C ATOM 0 H LEU A 25 13.635 5.833 3.904 1.00 0.00 H new ATOM 0 HA LEU A 25 13.626 7.469 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.670 5.394 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.990 6.512 1.316 1.00 0.00 H new ATOM 0 HG LEU A 25 15.197 7.503 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.596 7.740 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.129 6.034 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.998 6.881 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.421 9.513 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.778 8.722 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.096 9.103 2.204 1.00 0.00 H new ATOM 358 N ASP A 26 14.058 4.446 0.528 1.00 0.00 N ATOM 359 CA ASP A 26 13.859 3.651 -0.678 1.00 0.00 C ATOM 360 C ASP A 26 12.602 2.795 -0.563 1.00 0.00 C ATOM 361 O ASP A 26 11.799 2.728 -1.494 1.00 0.00 O ATOM 362 CB ASP A 26 15.076 2.759 -0.932 1.00 0.00 C ATOM 363 CG ASP A 26 15.157 1.598 0.039 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.065 1.839 1.261 1.00 0.00 O ATOM 365 OD2 ASP A 26 15.311 0.449 -0.423 1.00 0.00 O ATOM 0 H ASP A 26 14.508 3.945 1.294 1.00 0.00 H new ATOM 0 HA ASP A 26 13.736 4.334 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.034 2.374 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.984 3.357 -0.854 1.00 0.00 H new ATOM 370 N GLU A 27 12.438 2.142 0.583 1.00 0.00 N ATOM 371 CA GLU A 27 11.279 1.289 0.818 1.00 0.00 C ATOM 372 C GLU A 27 10.018 1.910 0.223 1.00 0.00 C ATOM 373 O GLU A 27 9.144 1.205 -0.283 1.00 0.00 O ATOM 374 CB GLU A 27 11.086 1.053 2.317 1.00 0.00 C ATOM 375 CG GLU A 27 12.337 0.554 3.020 1.00 0.00 C ATOM 376 CD GLU A 27 12.902 -0.701 2.385 1.00 0.00 C ATOM 377 OE1 GLU A 27 12.429 -1.805 2.727 1.00 0.00 O ATOM 378 OE2 GLU A 27 13.818 -0.580 1.545 1.00 0.00 O ATOM 0 H GLU A 27 13.093 2.187 1.363 1.00 0.00 H new ATOM 0 HA GLU A 27 11.459 0.332 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.763 1.983 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.284 0.329 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.095 1.337 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.106 0.355 4.066 1.00 0.00 H new ATOM 385 N LEU A 28 9.930 3.234 0.289 1.00 0.00 N ATOM 386 CA LEU A 28 8.776 3.952 -0.241 1.00 0.00 C ATOM 387 C LEU A 28 9.217 5.109 -1.131 1.00 0.00 C ATOM 388 O LEU A 28 10.179 5.811 -0.821 1.00 0.00 O ATOM 389 CB LEU A 28 7.906 4.475 0.903 1.00 0.00 C ATOM 390 CG LEU A 28 6.850 5.513 0.522 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.656 5.429 1.460 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.447 6.913 0.540 1.00 0.00 C ATOM 0 H LEU A 28 10.644 3.832 0.704 1.00 0.00 H new ATOM 0 HA LEU A 28 8.192 3.257 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.402 3.627 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.559 4.911 1.659 1.00 0.00 H new ATOM 0 HG LEU A 28 6.507 5.299 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.915 6.175 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.213 4.435 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.983 5.617 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.681 7.639 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.819 7.137 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.269 6.967 -0.173 1.00 0.00 H new ATOM 404 N GLN A 29 8.504 5.304 -2.236 1.00 0.00 N ATOM 405 CA GLN A 29 8.822 6.378 -3.170 1.00 0.00 C ATOM 406 C GLN A 29 7.670 7.373 -3.267 1.00 0.00 C ATOM 407 O GLN A 29 6.501 6.989 -3.246 1.00 0.00 O ATOM 408 CB GLN A 29 9.133 5.804 -4.553 1.00 0.00 C ATOM 409 CG GLN A 29 9.670 6.836 -5.533 1.00 0.00 C ATOM 410 CD GLN A 29 11.121 7.188 -5.271 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.871 6.398 -4.697 1.00 0.00 O ATOM 412 NE2 GLN A 29 11.526 8.381 -5.692 1.00 0.00 N ATOM 0 H GLN A 29 7.703 4.733 -2.506 1.00 0.00 H new ATOM 0 HA GLN A 29 9.701 6.903 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.862 5.001 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.227 5.360 -4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.570 6.453 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.064 7.740 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.871 9.005 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.492 8.673 -5.544 1.00 0.00 H new ATOM 421 N VAL A 30 8.009 8.654 -3.372 1.00 0.00 N ATOM 422 CA VAL A 30 7.003 9.705 -3.473 1.00 0.00 C ATOM 423 C VAL A 30 7.267 10.605 -4.675 1.00 0.00 C ATOM 424 O VAL A 30 8.408 10.752 -5.114 1.00 0.00 O ATOM 425 CB VAL A 30 6.964 10.569 -2.198 1.00 0.00 C ATOM 426 CG1 VAL A 30 5.904 11.653 -2.319 1.00 0.00 C ATOM 427 CG2 VAL A 30 6.712 9.700 -0.974 1.00 0.00 C ATOM 0 H VAL A 30 8.972 8.989 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 30 6.040 9.210 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 30 7.933 11.054 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.891 12.253 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.133 12.292 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.927 11.192 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.687 10.326 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.757 9.186 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.511 8.965 -0.879 1.00 0.00 H new ATOM 437 N ILE A 31 6.205 11.205 -5.202 1.00 0.00 N ATOM 438 CA ILE A 31 6.322 12.092 -6.353 1.00 0.00 C ATOM 439 C ILE A 31 5.792 13.484 -6.030 1.00 0.00 C ATOM 440 O ILE A 31 4.595 13.748 -6.147 1.00 0.00 O ATOM 441 CB ILE A 31 5.563 11.535 -7.572 1.00 0.00 C ATOM 442 CG1 ILE A 31 5.966 10.082 -7.832 1.00 0.00 C ATOM 443 CG2 ILE A 31 5.832 12.393 -8.800 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.398 9.926 -8.295 1.00 0.00 C ATOM 0 H ILE A 31 5.254 11.093 -4.850 1.00 0.00 H new ATOM 0 HA ILE A 31 7.383 12.157 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 31 4.494 11.563 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.823 9.505 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.301 9.658 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.289 11.987 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.500 13.414 -8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.900 12.394 -9.017 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.614 8.870 -8.460 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.541 10.475 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.071 10.320 -7.534 1.00 0.00 H new ATOM 456 N LYS A 32 6.691 14.374 -5.624 1.00 0.00 N ATOM 457 CA LYS A 32 6.316 15.742 -5.287 1.00 0.00 C ATOM 458 C LYS A 32 6.193 16.598 -6.543 1.00 0.00 C ATOM 459 O LYS A 32 7.120 16.673 -7.349 1.00 0.00 O ATOM 460 CB LYS A 32 7.347 16.356 -4.338 1.00 0.00 C ATOM 461 CG LYS A 32 8.781 16.202 -4.815 1.00 0.00 C ATOM 462 CD LYS A 32 9.722 17.127 -4.062 1.00 0.00 C ATOM 463 CE LYS A 32 10.276 16.461 -2.811 1.00 0.00 C ATOM 464 NZ LYS A 32 11.404 15.542 -3.126 1.00 0.00 N ATOM 0 H LYS A 32 7.685 14.172 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 32 5.346 15.714 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.127 17.416 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.247 15.891 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.101 15.169 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.835 16.417 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.545 17.420 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.193 18.039 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.615 17.226 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.482 15.904 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.754 15.108 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.075 14.797 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.173 16.078 -3.577 1.00 0.00 H new ATOM 478 N GLY A 33 5.041 17.244 -6.703 1.00 0.00 N ATOM 479 CA GLY A 33 4.819 18.088 -7.863 1.00 0.00 C ATOM 480 C GLY A 33 5.330 19.500 -7.660 1.00 0.00 C ATOM 481 O GLY A 33 5.714 19.874 -6.553 1.00 0.00 O ATOM 0 H GLY A 33 4.258 17.198 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.313 17.647 -8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.753 18.120 -8.086 1.00 0.00 H new ATOM 485 N ASN A 34 5.335 20.286 -8.731 1.00 0.00 N ATOM 486 CA ASN A 34 5.805 21.665 -8.665 1.00 0.00 C ATOM 487 C ASN A 34 4.634 22.632 -8.516 1.00 0.00 C ATOM 488 O ASN A 34 3.981 22.988 -9.496 1.00 0.00 O ATOM 489 CB ASN A 34 6.610 22.012 -9.919 1.00 0.00 C ATOM 490 CG ASN A 34 7.932 21.270 -9.981 1.00 0.00 C ATOM 491 OD1 ASN A 34 8.629 21.137 -8.975 1.00 0.00 O ATOM 492 ND2 ASN A 34 8.281 20.783 -11.166 1.00 0.00 N ATOM 0 H ASN A 34 5.019 19.992 -9.655 1.00 0.00 H new ATOM 0 HA ASN A 34 6.448 21.762 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.020 21.773 -10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.798 23.086 -9.942 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.159 20.274 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.671 20.918 -11.972 1.00 0.00 H new ATOM 499 N GLY A 35 4.376 23.054 -7.282 1.00 0.00 N ATOM 500 CA GLY A 35 3.285 23.976 -7.026 1.00 0.00 C ATOM 501 C GLY A 35 1.941 23.277 -6.948 1.00 0.00 C ATOM 502 O GLY A 35 1.711 22.460 -6.057 1.00 0.00 O ATOM 0 H GLY A 35 4.903 22.774 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.471 24.504 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.255 24.727 -7.815 1.00 0.00 H new ATOM 506 N ARG A 36 1.053 23.601 -7.882 1.00 0.00 N ATOM 507 CA ARG A 36 -0.275 23.001 -7.913 1.00 0.00 C ATOM 508 C ARG A 36 -0.624 22.525 -9.320 1.00 0.00 C ATOM 509 O ARG A 36 -1.741 22.729 -9.798 1.00 0.00 O ATOM 510 CB ARG A 36 -1.323 24.004 -7.428 1.00 0.00 C ATOM 511 CG ARG A 36 -1.104 24.470 -5.998 1.00 0.00 C ATOM 512 CD ARG A 36 -2.418 24.831 -5.322 1.00 0.00 C ATOM 513 NE ARG A 36 -2.245 25.869 -4.310 1.00 0.00 N ATOM 514 CZ ARG A 36 -3.113 26.091 -3.329 1.00 0.00 C ATOM 515 NH1 ARG A 36 -4.208 25.349 -3.227 1.00 0.00 N ATOM 516 NH2 ARG A 36 -2.886 27.055 -2.446 1.00 0.00 N ATOM 0 H ARG A 36 1.229 24.275 -8.627 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.272 22.139 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.317 24.871 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.311 23.551 -7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.605 23.684 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.442 25.336 -5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.130 25.172 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.844 23.941 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.412 26.456 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.385 24.606 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.873 25.522 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.044 27.627 -2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.553 27.225 -1.693 1.00 0.00 H new ATOM 530 N THR A 37 0.339 21.890 -9.981 1.00 0.00 N ATOM 531 CA THR A 37 0.135 21.387 -11.333 1.00 0.00 C ATOM 532 C THR A 37 -0.489 19.997 -11.314 1.00 0.00 C ATOM 533 O THR A 37 -1.370 19.691 -12.118 1.00 0.00 O ATOM 534 CB THR A 37 1.460 21.331 -12.118 1.00 0.00 C ATOM 535 OG1 THR A 37 2.406 20.511 -11.423 1.00 0.00 O ATOM 536 CG2 THR A 37 2.035 22.727 -12.309 1.00 0.00 C ATOM 0 H THR A 37 1.269 21.712 -9.601 1.00 0.00 H new ATOM 0 HA THR A 37 -0.544 22.081 -11.829 1.00 0.00 H new ATOM 0 HB THR A 37 1.258 20.901 -13.099 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.245 20.479 -11.929 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.970 22.662 -12.866 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.325 23.340 -12.863 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.223 23.179 -11.335 1.00 0.00 H new ATOM 544 N SER A 38 -0.029 19.158 -10.391 1.00 0.00 N ATOM 545 CA SER A 38 -0.541 17.799 -10.270 1.00 0.00 C ATOM 546 C SER A 38 -0.394 17.288 -8.840 1.00 0.00 C ATOM 547 O SER A 38 0.434 17.767 -8.065 1.00 0.00 O ATOM 548 CB SER A 38 0.194 16.866 -11.235 1.00 0.00 C ATOM 549 OG SER A 38 -0.362 16.936 -12.536 1.00 0.00 O ATOM 0 H SER A 38 0.698 19.396 -9.716 1.00 0.00 H new ATOM 0 HA SER A 38 -1.601 17.813 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.250 17.135 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.139 15.841 -10.867 1.00 0.00 H new ATOM 0 HG SER A 38 -0.830 17.790 -12.646 1.00 0.00 H new ATOM 555 N PRO A 39 -1.216 16.291 -8.481 1.00 0.00 N ATOM 556 CA PRO A 39 -1.198 15.693 -7.143 1.00 0.00 C ATOM 557 C PRO A 39 0.064 14.874 -6.892 1.00 0.00 C ATOM 558 O PRO A 39 0.842 14.618 -7.810 1.00 0.00 O ATOM 559 CB PRO A 39 -2.432 14.788 -7.142 1.00 0.00 C ATOM 560 CG PRO A 39 -2.662 14.459 -8.577 1.00 0.00 C ATOM 561 CD PRO A 39 -2.228 15.671 -9.353 1.00 0.00 C ATOM 0 HA PRO A 39 -1.207 16.449 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.262 13.888 -6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.294 15.295 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.089 13.580 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.712 14.232 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.811 15.399 -10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.062 16.346 -9.543 1.00 0.00 H new ATOM 569 N TRP A 40 0.259 14.465 -5.643 1.00 0.00 N ATOM 570 CA TRP A 40 1.427 13.674 -5.272 1.00 0.00 C ATOM 571 C TRP A 40 1.133 12.182 -5.388 1.00 0.00 C ATOM 572 O TRP A 40 -0.003 11.749 -5.204 1.00 0.00 O ATOM 573 CB TRP A 40 1.864 14.011 -3.846 1.00 0.00 C ATOM 574 CG TRP A 40 2.432 15.391 -3.708 1.00 0.00 C ATOM 575 CD1 TRP A 40 2.022 16.515 -4.367 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.514 15.792 -2.861 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.784 17.591 -3.980 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.706 17.174 -3.057 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.338 15.120 -1.954 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.688 17.892 -2.380 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.312 15.834 -1.284 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.480 17.208 -1.498 1.00 0.00 C ATOM 0 H TRP A 40 -0.376 14.668 -4.871 1.00 0.00 H new ATOM 0 HA TRP A 40 2.236 13.920 -5.960 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.008 13.910 -3.178 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.609 13.285 -3.521 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.217 16.553 -5.086 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.680 18.545 -4.324 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.215 14.061 -1.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.820 18.951 -2.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.956 15.324 -0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.250 17.738 -0.956 1.00 0.00 H new ATOM 593 N GLU A 41 2.165 11.403 -5.695 1.00 0.00 N ATOM 594 CA GLU A 41 2.015 9.959 -5.836 1.00 0.00 C ATOM 595 C GLU A 41 3.033 9.219 -4.972 1.00 0.00 C ATOM 596 O GLU A 41 4.226 9.524 -5.002 1.00 0.00 O ATOM 597 CB GLU A 41 2.179 9.548 -7.301 1.00 0.00 C ATOM 598 CG GLU A 41 1.376 8.314 -7.680 1.00 0.00 C ATOM 599 CD GLU A 41 -0.099 8.613 -7.867 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.424 9.719 -8.348 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.928 7.741 -7.534 1.00 0.00 O ATOM 0 H GLU A 41 3.113 11.747 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 41 1.014 9.689 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.876 10.378 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.234 9.361 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.777 7.893 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.494 7.556 -6.905 1.00 0.00 H new ATOM 608 N ILE A 42 2.553 8.247 -4.205 1.00 0.00 N ATOM 609 CA ILE A 42 3.420 7.464 -3.333 1.00 0.00 C ATOM 610 C ILE A 42 3.267 5.971 -3.603 1.00 0.00 C ATOM 611 O ILE A 42 2.154 5.467 -3.751 1.00 0.00 O ATOM 612 CB ILE A 42 3.122 7.738 -1.848 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.247 9.233 -1.547 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.061 6.934 -0.961 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.517 9.662 -0.294 1.00 0.00 C ATOM 0 H ILE A 42 1.569 7.982 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 42 4.444 7.768 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 42 2.099 7.428 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.302 9.488 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.860 9.799 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.837 7.139 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.927 5.871 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.092 7.216 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.650 10.733 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.455 9.439 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.919 9.123 0.564 1.00 0.00 H new ATOM 627 N TYR A 43 4.393 5.268 -3.666 1.00 0.00 N ATOM 628 CA TYR A 43 4.385 3.832 -3.919 1.00 0.00 C ATOM 629 C TYR A 43 5.108 3.079 -2.806 1.00 0.00 C ATOM 630 O TYR A 43 5.909 3.656 -2.070 1.00 0.00 O ATOM 631 CB TYR A 43 5.040 3.527 -5.267 1.00 0.00 C ATOM 632 CG TYR A 43 4.732 4.551 -6.335 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.530 4.516 -7.033 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.642 5.553 -6.649 1.00 0.00 C ATOM 635 CE1 TYR A 43 3.245 5.449 -8.011 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.364 6.491 -7.624 1.00 0.00 C ATOM 637 CZ TYR A 43 4.165 6.435 -8.302 1.00 0.00 C ATOM 638 OH TYR A 43 3.885 7.367 -9.275 1.00 0.00 O ATOM 0 H TYR A 43 5.323 5.670 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 43 3.348 3.498 -3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.120 3.469 -5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.708 2.547 -5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.807 3.746 -6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.583 5.599 -6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.307 5.407 -8.545 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.082 7.264 -7.854 1.00 0.00 H new ATOM 0 HH TYR A 43 3.304 6.966 -9.955 1.00 0.00 H new ATOM 648 N ILE A 44 4.821 1.787 -2.692 1.00 0.00 N ATOM 649 CA ILE A 44 5.445 0.953 -1.672 1.00 0.00 C ATOM 650 C ILE A 44 5.112 -0.519 -1.886 1.00 0.00 C ATOM 651 O ILE A 44 4.082 -0.856 -2.471 1.00 0.00 O ATOM 652 CB ILE A 44 5.001 1.368 -0.257 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.891 0.704 0.796 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.541 1.003 -0.032 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.810 1.361 2.156 1.00 0.00 C ATOM 0 H ILE A 44 4.160 1.295 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 44 6.522 1.096 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 44 5.104 2.449 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.608 -0.344 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.925 0.725 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.242 1.302 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.920 1.519 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.414 -0.074 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.466 0.839 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.121 2.403 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.784 1.316 2.521 1.00 0.00 H new ATOM 667 N THR A 45 5.990 -1.395 -1.406 1.00 0.00 N ATOM 668 CA THR A 45 5.790 -2.832 -1.544 1.00 0.00 C ATOM 669 C THR A 45 5.546 -3.485 -0.189 1.00 0.00 C ATOM 670 O THR A 45 6.260 -3.217 0.779 1.00 0.00 O ATOM 671 CB THR A 45 7.001 -3.506 -2.216 1.00 0.00 C ATOM 672 OG1 THR A 45 7.207 -2.955 -3.521 1.00 0.00 O ATOM 673 CG2 THR A 45 6.794 -5.009 -2.321 1.00 0.00 C ATOM 0 H THR A 45 6.847 -1.134 -0.918 1.00 0.00 H new ATOM 0 HA THR A 45 4.911 -2.970 -2.174 1.00 0.00 H new ATOM 0 HB THR A 45 7.881 -3.319 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.980 -3.388 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.662 -5.463 -2.799 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.667 -5.429 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.904 -5.213 -2.916 1.00 0.00 H new ATOM 681 N LEU A 46 4.534 -4.344 -0.125 1.00 0.00 N ATOM 682 CA LEU A 46 4.196 -5.037 1.114 1.00 0.00 C ATOM 683 C LEU A 46 4.117 -6.544 0.890 1.00 0.00 C ATOM 684 O LEU A 46 3.915 -7.005 -0.234 1.00 0.00 O ATOM 685 CB LEU A 46 2.865 -4.521 1.663 1.00 0.00 C ATOM 686 CG LEU A 46 2.864 -3.080 2.174 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.497 -2.713 2.731 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.942 -2.886 3.230 1.00 0.00 C ATOM 0 H LEU A 46 3.934 -4.577 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 46 4.984 -4.837 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.113 -4.608 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.553 -5.175 2.478 1.00 0.00 H new ATOM 0 HG LEU A 46 3.083 -2.418 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.515 -1.684 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.746 -2.811 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.249 -3.381 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.926 -1.854 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.756 -3.558 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.918 -3.107 2.798 1.00 0.00 H new ATOM 700 N HIS A 47 4.277 -7.306 1.967 1.00 0.00 N ATOM 701 CA HIS A 47 4.221 -8.761 1.889 1.00 0.00 C ATOM 702 C HIS A 47 3.824 -9.363 3.234 1.00 0.00 C ATOM 703 O HIS A 47 4.061 -8.784 4.295 1.00 0.00 O ATOM 704 CB HIS A 47 5.572 -9.322 1.445 1.00 0.00 C ATOM 705 CG HIS A 47 6.607 -9.319 2.528 1.00 0.00 C ATOM 706 ND1 HIS A 47 6.530 -10.123 3.645 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.748 -8.603 2.659 1.00 0.00 C ATOM 708 CE1 HIS A 47 7.578 -9.901 4.418 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.333 -8.984 3.842 1.00 0.00 N ATOM 0 H HIS A 47 4.446 -6.940 2.904 1.00 0.00 H new ATOM 0 HA HIS A 47 3.464 -9.031 1.152 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.433 -10.343 1.089 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.939 -8.738 0.601 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.128 -7.869 1.963 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.782 -10.387 5.361 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.209 -8.618 4.215 1.00 0.00 H new ATOM 718 N PRO A 48 3.205 -10.552 3.192 1.00 0.00 N ATOM 719 CA PRO A 48 2.762 -11.257 4.398 1.00 0.00 C ATOM 720 C PRO A 48 3.931 -11.785 5.223 1.00 0.00 C ATOM 721 O PRO A 48 4.523 -12.812 4.892 1.00 0.00 O ATOM 722 CB PRO A 48 1.931 -12.418 3.846 1.00 0.00 C ATOM 723 CG PRO A 48 2.467 -12.649 2.475 1.00 0.00 C ATOM 724 CD PRO A 48 2.890 -11.300 1.963 1.00 0.00 C ATOM 0 HA PRO A 48 2.210 -10.602 5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.034 -13.308 4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.870 -12.168 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.310 -13.340 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.709 -13.091 1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.755 -11.373 1.304 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.095 -10.819 1.393 1.00 0.00 H new ATOM 732 N ALA A 49 4.258 -11.076 6.299 1.00 0.00 N ATOM 733 CA ALA A 49 5.355 -11.475 7.172 1.00 0.00 C ATOM 734 C ALA A 49 4.881 -12.464 8.231 1.00 0.00 C ATOM 735 O ALA A 49 5.376 -12.467 9.359 1.00 0.00 O ATOM 736 CB ALA A 49 5.978 -10.252 7.830 1.00 0.00 C ATOM 0 H ALA A 49 3.779 -10.223 6.587 1.00 0.00 H new ATOM 0 HA ALA A 49 6.111 -11.970 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.796 -10.565 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.361 -9.581 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.224 -9.733 8.421 1.00 0.00 H new ATOM 742 N THR A 50 3.918 -13.304 7.863 1.00 0.00 N ATOM 743 CA THR A 50 3.376 -14.296 8.782 1.00 0.00 C ATOM 744 C THR A 50 3.960 -15.677 8.506 1.00 0.00 C ATOM 745 O THR A 50 4.160 -16.471 9.425 1.00 0.00 O ATOM 746 CB THR A 50 1.841 -14.372 8.685 1.00 0.00 C ATOM 747 OG1 THR A 50 1.344 -15.391 9.560 1.00 0.00 O ATOM 748 CG2 THR A 50 1.402 -14.665 7.258 1.00 0.00 C ATOM 0 H THR A 50 3.498 -13.316 6.934 1.00 0.00 H new ATOM 0 HA THR A 50 3.654 -13.981 9.788 1.00 0.00 H new ATOM 0 HB THR A 50 1.433 -13.406 8.983 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.367 -15.432 9.493 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.314 -14.714 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.756 -13.873 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.821 -15.619 6.937 1.00 0.00 H new ATOM 756 N ALA A 51 4.232 -15.957 7.236 1.00 0.00 N ATOM 757 CA ALA A 51 4.795 -17.242 6.840 1.00 0.00 C ATOM 758 C ALA A 51 6.120 -17.502 7.550 1.00 0.00 C ATOM 759 O ALA A 51 6.719 -16.590 8.118 1.00 0.00 O ATOM 760 CB ALA A 51 4.985 -17.293 5.331 1.00 0.00 C ATOM 0 H ALA A 51 4.072 -15.311 6.463 1.00 0.00 H new ATOM 0 HA ALA A 51 4.094 -18.024 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.406 -18.258 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.022 -17.160 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.663 -16.497 5.023 1.00 0.00 H new ATOM 766 N GLU A 52 6.569 -18.753 7.515 1.00 0.00 N ATOM 767 CA GLU A 52 7.822 -19.132 8.157 1.00 0.00 C ATOM 768 C GLU A 52 8.959 -19.188 7.141 1.00 0.00 C ATOM 769 O GLU A 52 10.012 -18.581 7.339 1.00 0.00 O ATOM 770 CB GLU A 52 7.675 -20.489 8.849 1.00 0.00 C ATOM 771 CG GLU A 52 6.709 -20.473 10.021 1.00 0.00 C ATOM 772 CD GLU A 52 6.602 -21.821 10.708 1.00 0.00 C ATOM 773 OE1 GLU A 52 6.472 -22.840 9.998 1.00 0.00 O ATOM 774 OE2 GLU A 52 6.648 -21.856 11.955 1.00 0.00 O ATOM 0 H GLU A 52 6.084 -19.520 7.049 1.00 0.00 H new ATOM 0 HA GLU A 52 8.062 -18.375 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.336 -21.224 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.654 -20.816 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.034 -19.726 10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.723 -20.169 9.670 1.00 0.00 H new ATOM 781 N ASP A 53 8.739 -19.919 6.055 1.00 0.00 N ATOM 782 CA ASP A 53 9.744 -20.054 5.007 1.00 0.00 C ATOM 783 C ASP A 53 9.086 -20.195 3.638 1.00 0.00 C ATOM 784 O ASP A 53 8.173 -21.001 3.458 1.00 0.00 O ATOM 785 CB ASP A 53 10.640 -21.262 5.283 1.00 0.00 C ATOM 786 CG ASP A 53 9.854 -22.554 5.389 1.00 0.00 C ATOM 787 OD1 ASP A 53 9.314 -23.007 4.358 1.00 0.00 O ATOM 788 OD2 ASP A 53 9.780 -23.113 6.503 1.00 0.00 O ATOM 0 H ASP A 53 7.873 -20.428 5.877 1.00 0.00 H new ATOM 0 HA ASP A 53 10.355 -19.151 5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.378 -21.353 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.191 -21.098 6.209 1.00 0.00 H new ATOM 793 N GLN A 54 9.556 -19.406 2.677 1.00 0.00 N ATOM 794 CA GLN A 54 9.011 -19.443 1.325 1.00 0.00 C ATOM 795 C GLN A 54 10.042 -19.979 0.337 1.00 0.00 C ATOM 796 O GLN A 54 11.210 -19.590 0.371 1.00 0.00 O ATOM 797 CB GLN A 54 8.556 -18.046 0.897 1.00 0.00 C ATOM 798 CG GLN A 54 7.511 -17.439 1.819 1.00 0.00 C ATOM 799 CD GLN A 54 7.418 -15.932 1.682 1.00 0.00 C ATOM 800 OE1 GLN A 54 7.366 -15.400 0.573 1.00 0.00 O ATOM 801 NE2 GLN A 54 7.396 -15.235 2.812 1.00 0.00 N ATOM 0 H GLN A 54 10.312 -18.734 2.809 1.00 0.00 H new ATOM 0 HA GLN A 54 8.152 -20.113 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.423 -17.386 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.151 -18.098 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.539 -17.881 1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.752 -17.692 2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.441 -15.717 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.334 -14.217 2.782 1.00 0.00 H new ATOM 810 N ASP A 55 9.604 -20.874 -0.541 1.00 0.00 N ATOM 811 CA ASP A 55 10.488 -21.463 -1.540 1.00 0.00 C ATOM 812 C ASP A 55 9.868 -21.382 -2.931 1.00 0.00 C ATOM 813 O ASP A 55 10.532 -21.005 -3.897 1.00 0.00 O ATOM 814 CB ASP A 55 10.791 -22.920 -1.187 1.00 0.00 C ATOM 815 CG ASP A 55 9.598 -23.829 -1.407 1.00 0.00 C ATOM 816 OD1 ASP A 55 8.517 -23.534 -0.855 1.00 0.00 O ATOM 817 OD2 ASP A 55 9.745 -24.835 -2.132 1.00 0.00 O ATOM 0 H ASP A 55 8.641 -21.208 -0.581 1.00 0.00 H new ATOM 0 HA ASP A 55 11.419 -20.897 -1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.628 -23.271 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.103 -22.981 -0.144 1.00 0.00 H new ATOM 822 N SER A 56 8.592 -21.740 -3.026 1.00 0.00 N ATOM 823 CA SER A 56 7.883 -21.712 -4.300 1.00 0.00 C ATOM 824 C SER A 56 6.751 -20.690 -4.270 1.00 0.00 C ATOM 825 O SER A 56 6.655 -19.829 -5.145 1.00 0.00 O ATOM 826 CB SER A 56 7.325 -23.099 -4.628 1.00 0.00 C ATOM 827 OG SER A 56 6.650 -23.096 -5.874 1.00 0.00 O ATOM 0 H SER A 56 8.028 -22.053 -2.236 1.00 0.00 H new ATOM 0 HA SER A 56 8.591 -21.420 -5.075 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.138 -23.825 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.640 -23.414 -3.841 1.00 0.00 H new ATOM 0 HG SER A 56 6.304 -23.994 -6.061 1.00 0.00 H new ATOM 833 N GLN A 57 5.896 -20.792 -3.258 1.00 0.00 N ATOM 834 CA GLN A 57 4.770 -19.878 -3.114 1.00 0.00 C ATOM 835 C GLN A 57 5.251 -18.472 -2.767 1.00 0.00 C ATOM 836 O GLN A 57 6.351 -18.293 -2.244 1.00 0.00 O ATOM 837 CB GLN A 57 3.811 -20.382 -2.034 1.00 0.00 C ATOM 838 CG GLN A 57 2.372 -19.940 -2.244 1.00 0.00 C ATOM 839 CD GLN A 57 1.471 -20.315 -1.084 1.00 0.00 C ATOM 840 OE1 GLN A 57 1.751 -19.981 0.068 1.00 0.00 O ATOM 841 NE2 GLN A 57 0.381 -21.013 -1.381 1.00 0.00 N ATOM 0 H GLN A 57 5.962 -21.499 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 57 4.243 -19.838 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.848 -21.471 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.153 -20.027 -1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.345 -18.860 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.987 -20.391 -3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.187 -21.269 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.262 -21.293 -0.641 1.00 0.00 H new ATOM 850 N TYR A 58 4.421 -17.479 -3.063 1.00 0.00 N ATOM 851 CA TYR A 58 4.763 -16.089 -2.786 1.00 0.00 C ATOM 852 C TYR A 58 3.593 -15.165 -3.110 1.00 0.00 C ATOM 853 O TYR A 58 2.663 -15.547 -3.821 1.00 0.00 O ATOM 854 CB TYR A 58 5.994 -15.674 -3.593 1.00 0.00 C ATOM 855 CG TYR A 58 5.668 -15.192 -4.989 1.00 0.00 C ATOM 856 CD1 TYR A 58 5.091 -13.946 -5.198 1.00 0.00 C ATOM 857 CD2 TYR A 58 5.937 -15.984 -6.099 1.00 0.00 C ATOM 858 CE1 TYR A 58 4.792 -13.502 -6.472 1.00 0.00 C ATOM 859 CE2 TYR A 58 5.642 -15.548 -7.376 1.00 0.00 C ATOM 860 CZ TYR A 58 5.070 -14.306 -7.557 1.00 0.00 C ATOM 861 OH TYR A 58 4.773 -13.869 -8.828 1.00 0.00 O ATOM 0 H TYR A 58 3.506 -17.610 -3.495 1.00 0.00 H new ATOM 0 HA TYR A 58 4.988 -16.002 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.519 -14.883 -3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.677 -16.521 -3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.872 -13.313 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.384 -16.957 -5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.343 -12.531 -6.617 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.858 -16.176 -8.228 1.00 0.00 H new ATOM 0 HH TYR A 58 5.033 -14.554 -9.479 1.00 0.00 H new ATOM 871 N VAL A 59 3.646 -13.945 -2.584 1.00 0.00 N ATOM 872 CA VAL A 59 2.593 -12.964 -2.817 1.00 0.00 C ATOM 873 C VAL A 59 3.040 -11.568 -2.398 1.00 0.00 C ATOM 874 O VAL A 59 3.522 -11.368 -1.283 1.00 0.00 O ATOM 875 CB VAL A 59 1.306 -13.330 -2.055 1.00 0.00 C ATOM 876 CG1 VAL A 59 1.606 -13.562 -0.582 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.257 -12.243 -2.230 1.00 0.00 C ATOM 0 H VAL A 59 4.408 -13.613 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 59 2.386 -12.970 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 59 0.909 -14.256 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.685 -13.820 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.321 -14.378 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.027 -12.655 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.646 -12.518 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.642 -11.300 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.022 -12.131 -3.288 1.00 0.00 H new ATOM 887 N CYS A 60 2.876 -10.606 -3.299 1.00 0.00 N ATOM 888 CA CYS A 60 3.262 -9.227 -3.023 1.00 0.00 C ATOM 889 C CYS A 60 2.383 -8.250 -3.797 1.00 0.00 C ATOM 890 O CYS A 60 1.841 -8.587 -4.850 1.00 0.00 O ATOM 891 CB CYS A 60 4.732 -9.005 -3.384 1.00 0.00 C ATOM 892 SG CYS A 60 5.556 -7.746 -2.381 1.00 0.00 S ATOM 0 H CYS A 60 2.479 -10.755 -4.226 1.00 0.00 H new ATOM 0 HA CYS A 60 3.125 -9.044 -1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.268 -9.948 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.798 -8.719 -4.434 1.00 0.00 H new ATOM 0 HG CYS A 60 4.689 -7.182 -1.594 1.00 0.00 H new ATOM 898 N PHE A 61 2.244 -7.039 -3.268 1.00 0.00 N ATOM 899 CA PHE A 61 1.428 -6.014 -3.908 1.00 0.00 C ATOM 900 C PHE A 61 1.999 -4.623 -3.647 1.00 0.00 C ATOM 901 O PHE A 61 2.546 -4.354 -2.577 1.00 0.00 O ATOM 902 CB PHE A 61 -0.013 -6.089 -3.401 1.00 0.00 C ATOM 903 CG PHE A 61 -0.247 -5.306 -2.141 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.312 -3.922 -2.171 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.403 -5.953 -0.926 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.526 -3.199 -1.013 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.617 -5.235 0.236 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.680 -3.857 0.192 1.00 0.00 C ATOM 0 H PHE A 61 2.686 -6.743 -2.398 1.00 0.00 H new ATOM 0 HA PHE A 61 1.438 -6.196 -4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.683 -5.720 -4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.274 -7.133 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.194 -3.402 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.357 -7.031 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.573 -2.121 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.735 -5.752 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.849 -3.294 1.098 1.00 0.00 H new ATOM 918 N THR A 62 1.869 -3.742 -4.634 1.00 0.00 N ATOM 919 CA THR A 62 2.373 -2.379 -4.513 1.00 0.00 C ATOM 920 C THR A 62 1.264 -1.418 -4.101 1.00 0.00 C ATOM 921 O THR A 62 0.260 -1.276 -4.800 1.00 0.00 O ATOM 922 CB THR A 62 2.995 -1.891 -5.835 1.00 0.00 C ATOM 923 OG1 THR A 62 4.235 -2.568 -6.072 1.00 0.00 O ATOM 924 CG2 THR A 62 3.231 -0.389 -5.800 1.00 0.00 C ATOM 0 H THR A 62 1.419 -3.948 -5.526 1.00 0.00 H new ATOM 0 HA THR A 62 3.143 -2.394 -3.741 1.00 0.00 H new ATOM 0 HB THR A 62 2.299 -2.115 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.623 -2.254 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.671 -0.068 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.282 0.125 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.910 -0.146 -4.982 1.00 0.00 H new ATOM 932 N LEU A 63 1.452 -0.758 -2.964 1.00 0.00 N ATOM 933 CA LEU A 63 0.467 0.192 -2.459 1.00 0.00 C ATOM 934 C LEU A 63 0.704 1.582 -3.039 1.00 0.00 C ATOM 935 O LEU A 63 1.760 2.181 -2.834 1.00 0.00 O ATOM 936 CB LEU A 63 0.521 0.249 -0.931 1.00 0.00 C ATOM 937 CG LEU A 63 -0.799 0.556 -0.224 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.740 0.116 1.231 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.123 2.040 -0.321 1.00 0.00 C ATOM 0 H LEU A 63 2.277 -0.863 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.521 -0.148 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.892 -0.708 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.250 1.006 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.593 -0.003 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.688 0.342 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.554 -0.957 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.065 0.647 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.066 2.241 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.327 2.618 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.208 2.326 -1.369 1.00 0.00 H new ATOM 951 N VAL A 64 -0.286 2.092 -3.764 1.00 0.00 N ATOM 952 CA VAL A 64 -0.187 3.414 -4.372 1.00 0.00 C ATOM 953 C VAL A 64 -1.120 4.405 -3.687 1.00 0.00 C ATOM 954 O VAL A 64 -2.342 4.312 -3.810 1.00 0.00 O ATOM 955 CB VAL A 64 -0.521 3.366 -5.875 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.317 4.733 -6.511 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.323 2.312 -6.575 1.00 0.00 C ATOM 0 H VAL A 64 -1.166 1.610 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 64 0.844 3.744 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.570 3.092 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.558 4.680 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.969 5.460 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.722 5.039 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.074 2.292 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.379 2.553 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.122 1.335 -6.137 1.00 0.00 H new ATOM 967 N LEU A 65 -0.537 5.355 -2.964 1.00 0.00 N ATOM 968 CA LEU A 65 -1.316 6.366 -2.258 1.00 0.00 C ATOM 969 C LEU A 65 -1.321 7.684 -3.025 1.00 0.00 C ATOM 970 O LEU A 65 -0.295 8.358 -3.126 1.00 0.00 O ATOM 971 CB LEU A 65 -0.753 6.583 -0.852 1.00 0.00 C ATOM 972 CG LEU A 65 -0.724 5.354 0.056 1.00 0.00 C ATOM 973 CD1 LEU A 65 0.109 5.628 1.299 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.138 4.942 0.440 1.00 0.00 C ATOM 0 H LEU A 65 0.473 5.446 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.343 6.008 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.263 6.966 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.342 7.358 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.263 4.532 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.118 4.742 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.129 5.875 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.323 6.464 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.099 4.065 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.625 5.761 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.705 4.704 -0.460 1.00 0.00 H new ATOM 986 N GLN A 66 -2.481 8.047 -3.562 1.00 0.00 N ATOM 987 CA GLN A 66 -2.619 9.285 -4.319 1.00 0.00 C ATOM 988 C GLN A 66 -3.198 10.395 -3.447 1.00 0.00 C ATOM 989 O GLN A 66 -4.414 10.504 -3.291 1.00 0.00 O ATOM 990 CB GLN A 66 -3.510 9.064 -5.542 1.00 0.00 C ATOM 991 CG GLN A 66 -3.205 10.006 -6.696 1.00 0.00 C ATOM 992 CD GLN A 66 -4.324 10.061 -7.716 1.00 0.00 C ATOM 993 OE1 GLN A 66 -5.123 10.998 -7.729 1.00 0.00 O ATOM 994 NE2 GLN A 66 -4.389 9.055 -8.580 1.00 0.00 N ATOM 0 H GLN A 66 -3.339 7.501 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.627 9.590 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.395 8.035 -5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.552 9.188 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.026 11.007 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.286 9.687 -7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.707 8.298 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.121 9.039 -9.290 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.319 11.215 -2.880 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.743 12.317 -2.025 1.00 0.00 C ATOM 1005 C VAL A 67 -3.123 13.540 -2.851 1.00 0.00 C ATOM 1006 O VAL A 67 -2.277 14.195 -3.462 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.639 12.709 -1.025 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.139 13.782 -0.070 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.155 11.486 -0.261 1.00 0.00 C ATOM 0 H VAL A 67 -1.309 11.137 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.616 11.970 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.796 13.118 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.345 14.046 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.432 14.666 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.999 13.404 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.375 11.781 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.988 11.045 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.754 10.754 -0.962 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.425 13.860 -2.872 1.00 0.00 N ATOM 1020 CA PRO A 68 -4.947 15.008 -3.620 1.00 0.00 C ATOM 1021 C PRO A 68 -4.531 16.339 -3.003 1.00 0.00 C ATOM 1022 O PRO A 68 -3.884 16.373 -1.957 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.465 14.829 -3.531 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.680 14.034 -2.290 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.489 13.124 -2.168 1.00 0.00 C ATOM 0 HA PRO A 68 -4.566 15.036 -4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.975 15.791 -3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.854 14.310 -4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.764 14.685 -1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.605 13.460 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.229 12.940 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.677 12.153 -2.626 1.00 0.00 H new ATOM 1033 N ALA A 69 -4.906 17.432 -3.659 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.573 18.766 -3.173 1.00 0.00 C ATOM 1035 C ALA A 69 -5.263 19.054 -1.844 1.00 0.00 C ATOM 1036 O ALA A 69 -4.642 19.560 -0.910 1.00 0.00 O ATOM 1037 CB ALA A 69 -4.956 19.815 -4.206 1.00 0.00 C ATOM 0 H ALA A 69 -5.440 17.420 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.496 18.808 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.702 20.806 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.413 19.628 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.028 19.763 -4.397 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.550 18.728 -1.767 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.323 18.954 -0.551 1.00 0.00 C ATOM 1045 C GLU A 70 -6.589 18.407 0.670 1.00 0.00 C ATOM 1046 O GLU A 70 -6.475 19.083 1.693 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.700 18.298 -0.667 1.00 0.00 C ATOM 1048 CG GLU A 70 -9.746 19.189 -1.317 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.136 20.364 -0.442 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.292 20.168 0.781 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -10.286 21.481 -0.981 1.00 0.00 O ATOM 0 H GLU A 70 -7.078 18.307 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.449 20.029 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.608 17.379 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.043 18.015 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.362 19.560 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.634 18.597 -1.541 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.093 17.180 0.555 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.373 16.541 1.649 1.00 0.00 C ATOM 1060 C TYR A 71 -4.672 17.580 2.521 1.00 0.00 C ATOM 1061 O TYR A 71 -4.118 18.565 2.033 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.349 15.545 1.101 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.524 14.872 2.175 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.534 15.568 2.857 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.736 13.540 2.508 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.778 14.957 3.839 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -2.985 12.920 3.489 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.007 13.633 4.151 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.257 13.021 5.128 1.00 0.00 O ATOM 0 H TYR A 71 -6.177 16.608 -0.285 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.098 16.006 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.870 14.782 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.681 16.064 0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.352 16.605 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.501 12.979 1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.012 15.513 4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.163 11.884 3.736 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.697 13.133 5.996 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.697 17.354 3.843 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.354 16.185 4.435 1.00 0.00 C ATOM 1081 C PRO A 72 -6.873 16.253 4.319 1.00 0.00 C ATOM 1082 O PRO A 72 -7.558 15.234 4.404 1.00 0.00 O ATOM 1083 CB PRO A 72 -4.926 16.243 5.903 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.629 17.682 6.154 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.085 18.224 4.861 1.00 0.00 C ATOM 0 HA PRO A 72 -5.072 15.260 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.717 15.881 6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.050 15.620 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.528 18.219 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.905 17.796 6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.361 19.268 4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.997 18.174 4.831 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.393 17.461 4.125 1.00 0.00 N ATOM 1094 CA HIS A 73 -8.832 17.662 3.996 1.00 0.00 C ATOM 1095 C HIS A 73 -9.490 16.460 3.325 1.00 0.00 C ATOM 1096 O HIS A 73 -10.522 15.970 3.782 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.122 18.931 3.195 1.00 0.00 C ATOM 1098 CG HIS A 73 -8.733 20.190 3.906 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -9.560 20.835 4.802 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -7.596 20.923 3.851 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -8.949 21.911 5.265 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -7.755 21.987 4.705 1.00 0.00 N ATOM 0 H HIS A 73 -6.840 18.315 4.054 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.250 17.771 4.997 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.590 18.881 2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.186 18.969 2.963 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.726 20.711 3.248 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.357 22.610 5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.064 22.717 4.878 1.00 0.00 H new ATOM 1111 N GLU A 74 -8.887 15.992 2.237 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.416 14.849 1.502 1.00 0.00 C ATOM 1113 C GLU A 74 -8.575 13.602 1.757 1.00 0.00 C ATOM 1114 O GLU A 74 -7.388 13.692 2.067 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.457 15.153 0.003 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.438 14.286 -0.768 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.848 14.843 -0.748 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.023 16.031 -1.093 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.778 14.091 -0.389 1.00 0.00 O ATOM 0 H GLU A 74 -8.032 16.387 1.845 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.430 14.660 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.722 16.201 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.459 15.017 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.102 14.194 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.442 13.282 -0.343 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.201 12.436 1.624 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.512 11.170 1.839 1.00 0.00 C ATOM 1128 C VAL A 75 -7.794 10.713 0.573 1.00 0.00 C ATOM 1129 O VAL A 75 -8.305 10.838 -0.540 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.490 10.067 2.287 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.164 10.451 3.595 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.524 9.800 1.203 1.00 0.00 C ATOM 0 H VAL A 75 -10.184 12.343 1.368 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.780 11.339 2.629 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.925 9.149 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.851 9.660 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.407 10.588 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.717 11.380 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.207 9.018 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.086 10.712 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.021 9.478 0.291 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.579 10.170 0.746 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.765 9.683 -0.371 1.00 0.00 C ATOM 1144 C PRO A 76 -6.345 8.424 -1.006 1.00 0.00 C ATOM 1145 O PRO A 76 -6.616 7.440 -0.318 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.414 9.379 0.281 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.735 9.110 1.711 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.908 9.991 2.044 1.00 0.00 C ATOM 0 HA PRO A 76 -5.709 10.410 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.934 8.519 -0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.728 10.220 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.980 8.059 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.883 9.336 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.567 9.524 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.588 10.944 2.466 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.533 8.462 -2.321 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.082 7.323 -3.047 1.00 0.00 C ATOM 1158 C GLN A 77 -6.150 6.119 -2.956 1.00 0.00 C ATOM 1159 O GLN A 77 -5.020 6.159 -3.442 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.317 7.691 -4.513 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.557 8.542 -4.735 1.00 0.00 C ATOM 1162 CD GLN A 77 -9.821 7.877 -4.225 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -9.918 6.650 -4.186 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.797 8.685 -3.830 1.00 0.00 N ATOM 0 H GLN A 77 -6.313 9.269 -2.905 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.035 7.057 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.446 8.228 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.404 6.776 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.429 9.502 -4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.665 8.750 -5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.673 9.696 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.671 8.295 -3.477 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.632 5.050 -2.331 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.842 3.835 -2.177 1.00 0.00 C ATOM 1175 C ILE A 78 -5.992 2.925 -3.391 1.00 0.00 C ATOM 1176 O ILE A 78 -7.104 2.565 -3.776 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.247 3.056 -0.912 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -5.925 3.873 0.342 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.541 1.710 -0.870 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.058 4.770 0.787 1.00 0.00 C ATOM 0 H ILE A 78 -7.566 5.001 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.801 4.145 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.322 2.879 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.671 3.192 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.043 4.484 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.838 1.171 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.816 1.127 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.462 1.865 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.759 5.318 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.297 5.476 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.936 4.164 1.010 1.00 0.00 H new ATOM 1192 N SER A 79 -4.864 2.554 -3.988 1.00 0.00 N ATOM 1193 CA SER A 79 -4.870 1.686 -5.160 1.00 0.00 C ATOM 1194 C SER A 79 -3.728 0.677 -5.095 1.00 0.00 C ATOM 1195 O SER A 79 -2.664 0.962 -4.545 1.00 0.00 O ATOM 1196 CB SER A 79 -4.756 2.519 -6.439 1.00 0.00 C ATOM 1197 OG SER A 79 -5.766 3.512 -6.492 1.00 0.00 O ATOM 0 H SER A 79 -3.935 2.841 -3.680 1.00 0.00 H new ATOM 0 HA SER A 79 -5.814 1.141 -5.172 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.775 2.991 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.836 1.868 -7.309 1.00 0.00 H new ATOM 0 HG SER A 79 -5.671 4.032 -7.317 1.00 0.00 H new ATOM 1203 N ILE A 80 -3.957 -0.504 -5.659 1.00 0.00 N ATOM 1204 CA ILE A 80 -2.948 -1.556 -5.665 1.00 0.00 C ATOM 1205 C ILE A 80 -2.481 -1.860 -7.085 1.00 0.00 C ATOM 1206 O ILE A 80 -3.289 -1.959 -8.008 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.480 -2.851 -5.023 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.748 -2.634 -3.533 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.492 -3.989 -5.230 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.662 -3.675 -2.925 1.00 0.00 C ATOM 0 H ILE A 80 -4.832 -0.756 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.106 -1.189 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.419 -3.120 -5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.799 -2.638 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.190 -1.648 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.882 -4.897 -4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.347 -4.155 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.538 -3.731 -4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.807 -3.458 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.625 -3.656 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.213 -4.662 -3.034 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.171 -2.010 -7.251 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.595 -2.304 -8.558 1.00 0.00 C ATOM 1224 C ARG A 81 -0.020 -3.717 -8.593 1.00 0.00 C ATOM 1225 O ARG A 81 0.344 -4.275 -7.559 1.00 0.00 O ATOM 1226 CB ARG A 81 0.497 -1.288 -8.898 1.00 0.00 C ATOM 1227 CG ARG A 81 0.085 0.154 -8.656 1.00 0.00 C ATOM 1228 CD ARG A 81 -0.604 0.748 -9.874 1.00 0.00 C ATOM 1229 NE ARG A 81 0.318 0.923 -10.994 1.00 0.00 N ATOM 1230 CZ ARG A 81 -0.064 0.928 -12.266 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -1.343 0.770 -12.579 1.00 0.00 N ATOM 1232 NH2 ARG A 81 0.834 1.093 -13.229 1.00 0.00 N ATOM 0 H ARG A 81 -0.488 -1.933 -6.497 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.389 -2.235 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.384 -1.508 -8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.778 -1.406 -9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.585 0.203 -7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.965 0.748 -8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.425 0.099 -10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.040 1.711 -9.610 1.00 0.00 H new ATOM 0 HE ARG A 81 1.309 1.048 -10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.037 0.644 -11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.633 0.774 -13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.819 1.216 -12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.540 1.097 -14.206 1.00 0.00 H new ATOM 1246 N ASN A 82 0.058 -4.289 -9.790 1.00 0.00 N ATOM 1247 CA ASN A 82 0.587 -5.637 -9.960 1.00 0.00 C ATOM 1248 C ASN A 82 0.237 -6.514 -8.762 1.00 0.00 C ATOM 1249 O ASN A 82 1.102 -7.122 -8.132 1.00 0.00 O ATOM 1250 CB ASN A 82 2.106 -5.591 -10.146 1.00 0.00 C ATOM 1251 CG ASN A 82 2.702 -6.967 -10.375 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.307 -7.681 -11.297 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.657 -7.345 -9.534 1.00 0.00 N ATOM 0 H ASN A 82 -0.238 -3.840 -10.657 1.00 0.00 H new ATOM 0 HA ASN A 82 0.131 -6.070 -10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.346 -4.948 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.564 -5.142 -9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.095 -8.260 -9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.953 -6.720 -8.784 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.064 -6.584 -8.440 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.560 -7.385 -7.317 1.00 0.00 C ATOM 1262 C PRO A 83 -1.444 -8.883 -7.578 1.00 0.00 C ATOM 1263 O PRO A 83 -2.395 -9.519 -8.033 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.030 -6.973 -7.210 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.394 -6.508 -8.577 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.150 -5.886 -9.148 1.00 0.00 C ATOM 0 HA PRO A 83 -0.987 -7.210 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.654 -7.810 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.167 -6.181 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.733 -7.340 -9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.209 -5.786 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.086 -6.032 -10.226 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.120 -4.811 -8.970 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.273 -9.440 -7.287 1.00 0.00 N ATOM 1275 CA ARG A 84 -0.033 -10.864 -7.491 1.00 0.00 C ATOM 1276 C ARG A 84 -0.114 -11.623 -6.170 1.00 0.00 C ATOM 1277 O ARG A 84 0.270 -11.108 -5.121 1.00 0.00 O ATOM 1278 CB ARG A 84 1.337 -11.085 -8.135 1.00 0.00 C ATOM 1279 CG ARG A 84 1.414 -12.342 -8.986 1.00 0.00 C ATOM 1280 CD ARG A 84 1.850 -13.545 -8.164 1.00 0.00 C ATOM 1281 NE ARG A 84 1.893 -14.767 -8.962 1.00 0.00 N ATOM 1282 CZ ARG A 84 2.330 -15.933 -8.499 1.00 0.00 C ATOM 1283 NH1 ARG A 84 2.758 -16.034 -7.248 1.00 0.00 N ATOM 1284 NH2 ARG A 84 2.338 -17.000 -9.287 1.00 0.00 N ATOM 0 H ARG A 84 0.524 -8.927 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.806 -11.245 -8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.582 -10.222 -8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.093 -11.140 -7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.440 -12.540 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.116 -12.186 -9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.835 -13.355 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.163 -13.682 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 84 1.570 -14.723 -9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.752 -15.216 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.093 -16.930 -6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.008 -16.926 -10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.674 -17.895 -8.931 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.618 -12.853 -6.230 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.741 -13.663 -5.032 1.00 0.00 C ATOM 1300 C GLY A 85 -2.091 -13.505 -4.361 1.00 0.00 C ATOM 1301 O GLY A 85 -2.751 -14.492 -4.035 1.00 0.00 O ATOM 0 H GLY A 85 -0.943 -13.302 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.587 -14.711 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.045 -13.388 -4.329 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.504 -12.259 -4.152 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.784 -11.974 -3.514 1.00 0.00 C ATOM 1307 C LEU A 86 -4.940 -12.214 -4.480 1.00 0.00 C ATOM 1308 O LEU A 86 -4.794 -12.049 -5.691 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.815 -10.529 -3.012 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.742 -10.150 -1.991 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.416 -8.668 -2.086 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.193 -10.510 -0.584 1.00 0.00 C ATOM 0 H LEU A 86 -1.971 -11.430 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.898 -12.649 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.721 -9.865 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.793 -10.340 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.838 -10.715 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.650 -8.416 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.049 -8.440 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.315 -8.084 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.417 -10.233 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.111 -9.972 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.375 -11.583 -0.524 1.00 0.00 H new ATOM 1324 N SER A 87 -6.089 -12.602 -3.936 1.00 0.00 N ATOM 1325 CA SER A 87 -7.269 -12.865 -4.750 1.00 0.00 C ATOM 1326 C SER A 87 -8.184 -11.645 -4.792 1.00 0.00 C ATOM 1327 O SER A 87 -8.102 -10.764 -3.936 1.00 0.00 O ATOM 1328 CB SER A 87 -8.034 -14.071 -4.201 1.00 0.00 C ATOM 1329 OG SER A 87 -7.208 -15.222 -4.155 1.00 0.00 O ATOM 0 H SER A 87 -6.227 -12.741 -2.935 1.00 0.00 H new ATOM 0 HA SER A 87 -6.938 -13.084 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.405 -13.846 -3.201 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.904 -14.269 -4.827 1.00 0.00 H new ATOM 0 HG SER A 87 -7.720 -15.978 -3.799 1.00 0.00 H new ATOM 1335 N ASP A 88 -9.054 -11.601 -5.794 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.986 -10.489 -5.949 1.00 0.00 C ATOM 1337 C ASP A 88 -10.569 -10.077 -4.601 1.00 0.00 C ATOM 1338 O ASP A 88 -10.486 -8.914 -4.209 1.00 0.00 O ATOM 1339 CB ASP A 88 -11.112 -10.870 -6.911 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.917 -9.669 -7.366 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -12.109 -8.740 -6.552 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -12.355 -9.656 -8.535 1.00 0.00 O ATOM 0 H ASP A 88 -9.134 -12.322 -6.511 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.438 -9.642 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.688 -11.370 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.775 -11.585 -6.424 1.00 0.00 H new ATOM 1347 N GLU A 89 -11.159 -11.039 -3.899 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.758 -10.774 -2.595 1.00 0.00 C ATOM 1349 C GLU A 89 -10.746 -10.128 -1.653 1.00 0.00 C ATOM 1350 O GLU A 89 -11.000 -9.064 -1.089 1.00 0.00 O ATOM 1351 CB GLU A 89 -12.289 -12.070 -1.981 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.415 -11.855 -0.983 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.946 -13.155 -0.413 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -13.140 -13.940 0.129 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -15.170 -13.388 -0.508 1.00 0.00 O ATOM 0 H GLU A 89 -11.235 -12.007 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.588 -10.082 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.642 -12.722 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.469 -12.589 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.058 -11.225 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.229 -11.317 -1.469 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.600 -10.781 -1.488 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.551 -10.271 -0.613 1.00 0.00 C ATOM 1364 C GLN A 90 -8.216 -8.822 -0.951 1.00 0.00 C ATOM 1365 O GLN A 90 -8.392 -7.926 -0.125 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.295 -11.138 -0.729 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.481 -12.552 -0.203 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.188 -13.343 -0.188 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.287 -13.066 0.604 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -6.091 -14.335 -1.065 1.00 0.00 N ATOM 0 H GLN A 90 -9.375 -11.663 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.918 -10.310 0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.992 -11.185 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.482 -10.660 -0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.888 -12.509 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.214 -13.072 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.863 -14.529 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.245 -14.903 -1.101 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.733 -8.600 -2.169 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.375 -7.260 -2.616 1.00 0.00 C ATOM 1381 C ILE A 91 -8.410 -6.235 -2.163 1.00 0.00 C ATOM 1382 O ILE A 91 -8.064 -5.191 -1.608 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.240 -7.195 -4.148 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.121 -8.123 -4.624 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.975 -5.765 -4.596 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.250 -8.532 -6.074 1.00 0.00 C ATOM 0 H ILE A 91 -7.581 -9.331 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.411 -7.023 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.177 -7.528 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.162 -7.626 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.113 -9.018 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.882 -5.735 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.802 -5.127 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.051 -5.407 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.423 -9.189 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.193 -9.058 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.227 -7.644 -6.706 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.681 -6.540 -2.403 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.767 -5.646 -2.018 1.00 0.00 C ATOM 1400 C HIS A 92 -10.707 -5.328 -0.527 1.00 0.00 C ATOM 1401 O HIS A 92 -10.701 -4.163 -0.129 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.118 -6.273 -2.364 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.288 -5.519 -1.810 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.397 -5.953 -1.167 1.00 0.00 N flip ATOM 1405 CD2 HIS A 92 -13.405 -4.147 -1.890 1.00 0.00 C flip ATOM 1406 CE1 HIS A 92 -15.156 -4.847 -0.872 1.00 0.00 C flip ATOM 1407 NE2 HIS A 92 -14.534 -3.770 -1.318 1.00 0.00 N flip ATOM 0 H HIS A 92 -9.984 -7.399 -2.862 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.653 -4.716 -2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.215 -6.332 -3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.143 -7.295 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.686 -3.485 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.106 -4.856 -0.359 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.869 -2.810 -1.235 1.00 0.00 H new ATOM 1416 N THR A 93 -10.663 -6.373 0.294 1.00 0.00 N ATOM 1417 CA THR A 93 -10.605 -6.205 1.741 1.00 0.00 C ATOM 1418 C THR A 93 -9.534 -5.195 2.135 1.00 0.00 C ATOM 1419 O THR A 93 -9.709 -4.427 3.082 1.00 0.00 O ATOM 1420 CB THR A 93 -10.320 -7.542 2.450 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.181 -8.564 1.935 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.522 -7.412 3.952 1.00 0.00 C ATOM 0 H THR A 93 -10.666 -7.344 -0.018 1.00 0.00 H new ATOM 0 HA THR A 93 -11.581 -5.836 2.056 1.00 0.00 H new ATOM 0 HB THR A 93 -9.281 -7.813 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.992 -9.411 2.390 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.315 -8.369 4.431 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.844 -6.655 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.552 -7.119 4.157 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.424 -5.201 1.404 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.325 -4.283 1.677 1.00 0.00 C ATOM 1432 C ILE A 94 -7.709 -2.848 1.333 1.00 0.00 C ATOM 1433 O ILE A 94 -7.175 -1.897 1.905 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.061 -4.668 0.886 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.764 -6.159 1.051 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.875 -3.832 1.344 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.767 -6.692 0.045 1.00 0.00 C ATOM 0 H ILE A 94 -8.262 -5.831 0.618 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.112 -4.354 2.744 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.236 -4.467 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.383 -6.336 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.695 -6.719 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.989 -4.115 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.089 -2.776 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.696 -4.005 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.605 -7.755 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.155 -6.547 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.823 -6.158 0.151 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.640 -2.698 0.397 1.00 0.00 N ATOM 1450 CA LEU A 95 -9.098 -1.378 -0.022 1.00 0.00 C ATOM 1451 C LEU A 95 -10.195 -0.863 0.905 1.00 0.00 C ATOM 1452 O LEU A 95 -10.070 0.212 1.492 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.613 -1.429 -1.461 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.605 -1.878 -2.519 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.244 -1.881 -3.899 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.377 -0.979 -2.501 1.00 0.00 C ATOM 0 H LEU A 95 -9.092 -3.474 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.252 -0.693 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.470 -2.102 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.976 -0.437 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.291 -2.895 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.511 -2.203 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.092 -2.566 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.588 -0.876 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.670 -1.313 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.675 0.048 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.905 -1.027 -1.520 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.267 -1.638 1.032 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.385 -1.260 1.889 1.00 0.00 C ATOM 1470 C GLN A 96 -11.906 -0.947 3.303 1.00 0.00 C ATOM 1471 O GLN A 96 -12.551 -0.199 4.037 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.427 -2.379 1.926 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.832 -3.757 2.162 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.842 -4.743 2.716 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -14.190 -5.746 1.918 1.00 0.00 O flip ATOM 1476 NE2 GLN A 96 -14.306 -4.604 3.848 1.00 0.00 N flip ATOM 0 H GLN A 96 -11.385 -2.531 0.553 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.842 -0.362 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.150 -2.165 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.975 -2.385 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.432 -4.141 1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.995 -3.673 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -14.010 -3.818 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.986 -5.275 4.206 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.770 -1.526 3.679 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.203 -1.309 5.005 1.00 0.00 C ATOM 1487 C VAL A 97 -9.425 0.001 5.062 1.00 0.00 C ATOM 1488 O VAL A 97 -9.834 0.950 5.732 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.272 -2.466 5.413 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.514 -2.117 6.685 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -10.065 -3.751 5.591 1.00 0.00 C ATOM 0 H VAL A 97 -10.224 -2.149 3.084 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.038 -1.262 5.703 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.545 -2.623 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.861 -2.946 6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.914 -1.223 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.223 -1.932 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.391 -4.558 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.816 -3.610 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.558 -4.007 4.653 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.302 0.046 4.355 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.465 1.241 4.324 1.00 0.00 C ATOM 1503 C LEU A 98 -8.302 2.485 4.046 1.00 0.00 C ATOM 1504 O LEU A 98 -7.936 3.592 4.438 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.375 1.097 3.260 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.265 0.092 3.567 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.291 -0.001 2.403 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.536 0.477 4.846 1.00 0.00 C ATOM 0 H LEU A 98 -7.949 -0.731 3.795 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.997 1.352 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.848 0.810 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.919 2.074 3.101 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.719 -0.888 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.508 -0.721 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.823 -0.325 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.843 0.976 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.749 -0.249 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.095 1.467 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.241 0.490 5.677 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.430 2.294 3.368 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.303 3.409 3.051 1.00 0.00 C ATOM 1522 C GLY A 99 -10.757 4.160 4.288 1.00 0.00 C ATOM 1523 O GLY A 99 -10.697 5.389 4.333 1.00 0.00 O ATOM 0 H GLY A 99 -9.755 1.387 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.782 4.096 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.176 3.041 2.512 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.213 3.420 5.293 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.680 4.024 6.536 1.00 0.00 C ATOM 1529 C HIS A 100 -10.506 4.524 7.372 1.00 0.00 C ATOM 1530 O HIS A 100 -10.607 5.541 8.059 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.502 3.016 7.340 1.00 0.00 C ATOM 1532 CG HIS A 100 -13.650 2.434 6.576 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -14.797 3.143 6.285 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -13.824 1.203 6.040 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -15.627 2.373 5.604 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -15.060 1.190 5.442 1.00 0.00 N ATOM 0 H HIS A 100 -11.269 2.402 5.271 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.311 4.876 6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -11.849 2.208 7.670 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.883 3.504 8.237 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -13.121 0.384 6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -16.603 2.661 5.241 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -15.473 0.396 4.952 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.391 3.801 7.310 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.198 4.171 8.061 1.00 0.00 C ATOM 1547 C VAL A 101 -7.778 5.605 7.755 1.00 0.00 C ATOM 1548 O VAL A 101 -7.132 6.261 8.572 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.022 3.226 7.748 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.784 3.636 8.530 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.403 1.785 8.051 1.00 0.00 C ATOM 0 H VAL A 101 -9.290 2.956 6.747 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.451 4.087 9.118 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.791 3.301 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.964 2.957 8.296 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.502 4.653 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.997 3.592 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.561 1.131 7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.662 1.691 9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.259 1.499 7.440 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.151 6.085 6.573 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.815 7.442 6.160 1.00 0.00 C ATOM 1563 C ALA A 102 -8.734 8.461 6.825 1.00 0.00 C ATOM 1564 O ALA A 102 -8.275 9.365 7.523 1.00 0.00 O ATOM 1565 CB ALA A 102 -7.893 7.567 4.646 1.00 0.00 C ATOM 0 H ALA A 102 -8.686 5.555 5.885 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.794 7.650 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.640 8.585 4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.191 6.871 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.905 7.334 4.313 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.036 8.310 6.604 1.00 0.00 N ATOM 1572 CA LYS A 103 -11.021 9.216 7.182 1.00 0.00 C ATOM 1573 C LYS A 103 -10.865 9.295 8.697 1.00 0.00 C ATOM 1574 O LYS A 103 -10.910 10.378 9.280 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.437 8.757 6.827 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.697 7.293 7.137 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.995 6.812 6.510 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.205 7.444 7.181 1.00 0.00 C ATOM 1579 NZ LYS A 103 -16.479 6.812 6.737 1.00 0.00 N ATOM 0 H LYS A 103 -10.433 7.568 6.028 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.853 10.209 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.156 9.369 7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.611 8.931 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.868 6.689 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.739 7.151 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.999 7.054 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.059 5.727 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.111 7.350 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.230 8.510 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.280 7.271 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.582 6.924 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.466 5.800 6.976 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.681 8.140 9.329 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.515 8.079 10.776 1.00 0.00 C ATOM 1595 C ALA A 104 -9.261 8.825 11.217 1.00 0.00 C ATOM 1596 O ALA A 104 -9.047 9.052 12.407 1.00 0.00 O ATOM 1597 CB ALA A 104 -10.461 6.631 11.240 1.00 0.00 C ATOM 0 H ALA A 104 -10.643 7.234 8.861 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.375 8.565 11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.337 6.600 12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.388 6.127 10.967 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.620 6.127 10.764 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.432 9.205 10.248 1.00 0.00 N ATOM 1604 CA GLY A 105 -7.208 9.921 10.557 1.00 0.00 C ATOM 1605 C GLY A 105 -7.111 11.245 9.826 1.00 0.00 C ATOM 1606 O GLY A 105 -6.036 11.840 9.743 1.00 0.00 O ATOM 0 H GLY A 105 -8.587 9.030 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.155 10.098 11.631 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.351 9.301 10.294 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.236 11.709 9.292 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.273 12.971 8.562 1.00 0.00 C ATOM 1612 C LEU A 106 -7.960 14.144 9.486 1.00 0.00 C ATOM 1613 O LEU A 106 -8.211 14.084 10.689 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.646 13.168 7.915 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.819 12.578 6.516 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.294 12.475 6.159 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.077 13.417 5.486 1.00 0.00 C ATOM 0 H LEU A 106 -9.134 11.230 9.351 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.512 12.934 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.400 12.729 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.852 14.237 7.865 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.393 11.575 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.398 12.053 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.799 11.831 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.744 13.467 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.212 12.981 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.472 14.433 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.015 13.439 5.731 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.413 15.212 8.913 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.077 16.384 9.700 1.00 0.00 C ATOM 1631 C GLY A 107 -5.592 16.481 9.990 1.00 0.00 C ATOM 1632 O GLY A 107 -5.048 17.578 10.125 1.00 0.00 O ATOM 0 H GLY A 107 -7.197 15.286 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.400 17.279 9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.627 16.356 10.641 1.00 0.00 H new ATOM 1636 N THR A 108 -4.933 15.331 10.089 1.00 0.00 N ATOM 1637 CA THR A 108 -3.504 15.290 10.369 1.00 0.00 C ATOM 1638 C THR A 108 -2.830 14.143 9.624 1.00 0.00 C ATOM 1639 O THR A 108 -3.482 13.396 8.896 1.00 0.00 O ATOM 1640 CB THR A 108 -3.230 15.138 11.877 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.796 13.914 12.357 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.812 16.310 12.653 1.00 0.00 C ATOM 0 H THR A 108 -5.367 14.415 9.979 1.00 0.00 H new ATOM 0 HA THR A 108 -3.088 16.237 10.026 1.00 0.00 H new ATOM 0 HB THR A 108 -2.151 15.122 12.028 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.616 13.824 13.316 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.606 16.181 13.716 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.358 17.238 12.306 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.890 16.352 12.495 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.521 14.010 9.811 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.760 12.952 9.159 1.00 0.00 C ATOM 1652 C ALA A 109 -1.501 11.621 9.226 1.00 0.00 C ATOM 1653 O ALA A 109 -1.985 11.222 10.285 1.00 0.00 O ATOM 1654 CB ALA A 109 0.617 12.824 9.794 1.00 0.00 C ATOM 0 H ALA A 109 -0.966 14.622 10.409 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.641 13.219 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.174 12.030 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.155 13.766 9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.509 12.584 10.852 1.00 0.00 H new ATOM 1660 N MET A 110 -1.587 10.938 8.089 1.00 0.00 N ATOM 1661 CA MET A 110 -2.269 9.651 8.020 1.00 0.00 C ATOM 1662 C MET A 110 -1.401 8.613 7.317 1.00 0.00 C ATOM 1663 O MET A 110 -1.396 7.439 7.690 1.00 0.00 O ATOM 1664 CB MET A 110 -3.605 9.797 7.288 1.00 0.00 C ATOM 1665 CG MET A 110 -3.522 10.656 6.037 1.00 0.00 C ATOM 1666 SD MET A 110 -4.960 10.466 4.967 1.00 0.00 S ATOM 1667 CE MET A 110 -5.978 11.831 5.521 1.00 0.00 C ATOM 0 H MET A 110 -1.193 11.254 7.203 1.00 0.00 H new ATOM 0 HA MET A 110 -2.456 9.312 9.039 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.971 8.807 7.015 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.337 10.231 7.969 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.425 11.703 6.326 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.622 10.394 5.480 1.00 0.00 H new ATOM 0 HE1 MET A 110 -6.995 11.479 5.696 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.570 12.237 6.446 1.00 0.00 H new ATOM 0 HE3 MET A 110 -5.990 12.609 4.758 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.669 9.051 6.299 1.00 0.00 N ATOM 1678 CA LEU A 111 0.203 8.159 5.543 1.00 0.00 C ATOM 1679 C LEU A 111 0.873 7.144 6.464 1.00 0.00 C ATOM 1680 O LEU A 111 0.700 5.936 6.303 1.00 0.00 O ATOM 1681 CB LEU A 111 1.266 8.966 4.795 1.00 0.00 C ATOM 1682 CG LEU A 111 0.746 10.075 3.880 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.868 11.034 3.513 1.00 0.00 C ATOM 1684 CD2 LEU A 111 0.119 9.481 2.627 1.00 0.00 C ATOM 0 H LEU A 111 -0.662 10.019 5.978 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.409 7.619 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.937 9.413 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.861 8.277 4.196 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.021 10.634 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.479 11.817 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.273 11.484 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.657 10.489 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.246 10.284 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.866 8.898 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.713 8.835 2.908 1.00 0.00 H new ATOM 1696 N TYR A 112 1.636 7.643 7.430 1.00 0.00 N ATOM 1697 CA TYR A 112 2.333 6.780 8.377 1.00 0.00 C ATOM 1698 C TYR A 112 1.408 5.683 8.895 1.00 0.00 C ATOM 1699 O TYR A 112 1.723 4.497 8.803 1.00 0.00 O ATOM 1700 CB TYR A 112 2.872 7.603 9.548 1.00 0.00 C ATOM 1701 CG TYR A 112 3.784 6.822 10.467 1.00 0.00 C ATOM 1702 CD1 TYR A 112 5.142 6.704 10.195 1.00 0.00 C ATOM 1703 CD2 TYR A 112 3.289 6.201 11.607 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.979 5.991 11.031 1.00 0.00 C ATOM 1705 CE2 TYR A 112 4.119 5.488 12.449 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.463 5.385 12.157 1.00 0.00 C ATOM 1707 OH TYR A 112 6.293 4.674 12.994 1.00 0.00 O ATOM 0 H TYR A 112 1.788 8.641 7.578 1.00 0.00 H new ATOM 0 HA TYR A 112 3.168 6.311 7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.414 8.464 9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 112 2.033 7.990 10.126 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.550 7.178 9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 112 2.237 6.277 11.839 1.00 0.00 H new ATOM 0 HE1 TYR A 112 7.032 5.909 10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.718 5.013 13.332 1.00 0.00 H new ATOM 0 HH TYR A 112 5.772 4.312 13.741 1.00 0.00 H new ATOM 1717 N GLU A 113 0.265 6.089 9.440 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.705 5.141 9.973 1.00 0.00 C ATOM 1719 C GLU A 113 -1.138 4.144 8.902 1.00 0.00 C ATOM 1720 O GLU A 113 -0.971 2.934 9.060 1.00 0.00 O ATOM 1721 CB GLU A 113 -1.928 5.881 10.520 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.609 5.164 11.673 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.997 5.704 11.958 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.780 5.865 11.000 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -4.299 5.967 13.142 1.00 0.00 O ATOM 0 H GLU A 113 -0.011 7.067 9.524 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.228 4.592 10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.623 6.874 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.648 6.020 9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.677 4.100 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.995 5.260 12.569 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.695 4.661 7.812 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.152 3.817 6.713 1.00 0.00 C ATOM 1734 C LEU A 114 -1.143 2.713 6.418 1.00 0.00 C ATOM 1735 O LEU A 114 -1.463 1.527 6.502 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.384 4.661 5.459 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.645 5.526 5.455 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.438 6.769 4.604 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.839 4.726 4.953 1.00 0.00 C ATOM 0 H LEU A 114 -1.841 5.660 7.666 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.092 3.353 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.521 5.312 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.423 3.993 4.598 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.849 5.842 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.346 7.372 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.611 7.353 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.209 6.475 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.728 5.357 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.644 4.380 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.001 3.867 5.604 1.00 0.00 H new ATOM 1751 N ILE A 115 0.077 3.111 6.073 1.00 0.00 N ATOM 1752 CA ILE A 115 1.134 2.154 5.768 1.00 0.00 C ATOM 1753 C ILE A 115 1.217 1.068 6.835 1.00 0.00 C ATOM 1754 O ILE A 115 1.227 -0.122 6.522 1.00 0.00 O ATOM 1755 CB ILE A 115 2.505 2.848 5.652 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.484 3.878 4.521 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.601 1.819 5.419 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.502 4.984 4.692 1.00 0.00 C ATOM 0 H ILE A 115 0.358 4.089 5.998 1.00 0.00 H new ATOM 0 HA ILE A 115 0.882 1.700 4.809 1.00 0.00 H new ATOM 0 HB ILE A 115 2.714 3.367 6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.667 3.370 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.489 4.318 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.563 2.324 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.627 1.119 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.399 1.275 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.430 5.677 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.307 5.518 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.504 4.555 4.723 1.00 0.00 H new ATOM 1770 N GLU A 116 1.274 1.486 8.095 1.00 0.00 N ATOM 1771 CA GLU A 116 1.354 0.547 9.208 1.00 0.00 C ATOM 1772 C GLU A 116 0.210 -0.461 9.153 1.00 0.00 C ATOM 1773 O GLU A 116 0.414 -1.660 9.343 1.00 0.00 O ATOM 1774 CB GLU A 116 1.323 1.298 10.541 1.00 0.00 C ATOM 1775 CG GLU A 116 2.645 1.956 10.900 1.00 0.00 C ATOM 1776 CD GLU A 116 3.710 0.950 11.292 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.406 0.048 12.100 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.847 1.065 10.789 1.00 0.00 O ATOM 0 H GLU A 116 1.266 2.468 8.371 1.00 0.00 H new ATOM 0 HA GLU A 116 2.296 0.006 9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.546 2.061 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.046 0.603 11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.998 2.541 10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.488 2.653 11.723 1.00 0.00 H new ATOM 1785 N LYS A 117 -0.995 0.035 8.893 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.174 -0.820 8.812 1.00 0.00 C ATOM 1787 C LYS A 117 -1.951 -1.960 7.823 1.00 0.00 C ATOM 1788 O LYS A 117 -2.001 -3.133 8.191 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.397 0.000 8.395 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.696 -0.490 9.010 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.970 -1.941 8.653 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.975 -2.570 9.607 1.00 0.00 C ATOM 1793 NZ LYS A 117 -5.948 -4.057 9.539 1.00 0.00 N ATOM 0 H LYS A 117 -1.181 1.025 8.735 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.351 -1.247 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.240 1.041 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.487 -0.024 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.649 -0.384 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.521 0.133 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.349 -2.000 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.038 -2.506 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.759 -2.249 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.977 -2.214 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.145 -4.451 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.670 -4.387 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.010 -4.373 9.221 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.705 -1.607 6.565 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.477 -2.613 5.543 1.00 0.00 C ATOM 1809 C GLY A 118 -0.747 -3.828 6.079 1.00 0.00 C ATOM 1810 O GLY A 118 -1.314 -4.919 6.154 1.00 0.00 O ATOM 0 H GLY A 118 -1.659 -0.643 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.434 -2.924 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.899 -2.175 4.729 1.00 0.00 H new ATOM 1814 N LYS A 119 0.515 -3.643 6.451 1.00 0.00 N ATOM 1815 CA LYS A 119 1.325 -4.733 6.982 1.00 0.00 C ATOM 1816 C LYS A 119 0.478 -5.677 7.829 1.00 0.00 C ATOM 1817 O LYS A 119 0.506 -6.892 7.635 1.00 0.00 O ATOM 1818 CB LYS A 119 2.479 -4.177 7.818 1.00 0.00 C ATOM 1819 CG LYS A 119 3.463 -3.341 7.018 1.00 0.00 C ATOM 1820 CD LYS A 119 4.865 -3.423 7.597 1.00 0.00 C ATOM 1821 CE LYS A 119 5.029 -2.499 8.794 1.00 0.00 C ATOM 1822 NZ LYS A 119 6.434 -2.029 8.944 1.00 0.00 N ATOM 0 H LYS A 119 1.000 -2.747 6.394 1.00 0.00 H new ATOM 0 HA LYS A 119 1.732 -5.294 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.071 -3.569 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.013 -5.006 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.475 -3.683 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.134 -2.302 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.076 -4.449 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.593 -3.159 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.369 -1.639 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.722 -3.021 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.504 -1.402 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.062 -2.848 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.719 -1.509 8.090 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.275 -5.110 8.766 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.130 -5.903 9.642 1.00 0.00 C ATOM 1838 C GLU A 120 -2.172 -6.671 8.834 1.00 0.00 C ATOM 1839 O GLU A 120 -2.359 -7.873 9.026 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.824 -5.002 10.666 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.973 -4.704 11.889 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.801 -4.272 13.084 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -2.595 -3.318 12.941 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -1.654 -4.886 14.161 1.00 0.00 O ATOM 0 H GLU A 120 -0.311 -4.105 8.938 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.502 -6.621 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.096 -4.062 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.752 -5.477 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.398 -5.592 12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.256 -3.920 11.646 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.849 -5.967 7.933 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.872 -6.582 7.096 1.00 0.00 C ATOM 1853 C ILE A 121 -3.402 -7.927 6.552 1.00 0.00 C ATOM 1854 O ILE A 121 -4.020 -8.962 6.806 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.257 -5.670 5.916 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.769 -4.323 6.431 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.307 -6.345 5.046 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.929 -3.283 5.344 1.00 0.00 C ATOM 0 H ILE A 121 -2.708 -4.971 7.764 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.747 -6.734 7.728 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.370 -5.492 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.730 -4.473 6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.079 -3.945 7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.569 -5.688 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.909 -7.282 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.197 -6.549 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.295 -2.354 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.966 -3.105 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.642 -3.640 4.601 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.305 -7.905 5.804 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.750 -9.124 5.224 1.00 0.00 C ATOM 1872 C LEU A 122 -1.632 -10.222 6.276 1.00 0.00 C ATOM 1873 O LEU A 122 -2.000 -11.372 6.032 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.377 -8.841 4.611 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.379 -8.082 3.284 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.042 -7.741 2.861 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.077 -8.896 2.204 1.00 0.00 C ATOM 0 H LEU A 122 -1.782 -7.057 5.584 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.427 -9.466 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.210 -8.272 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.135 -9.792 4.462 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.929 -7.151 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.020 -7.201 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.509 -7.118 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.616 -8.660 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.069 -8.340 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.555 -9.843 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.108 -9.089 2.502 1.00 0.00 H new ATOM 1889 N SER A 123 -1.120 -9.860 7.448 1.00 0.00 N ATOM 1890 CA SER A 123 -0.953 -10.816 8.537 1.00 0.00 C ATOM 1891 C SER A 123 -2.301 -11.183 9.149 1.00 0.00 C ATOM 1892 O SER A 123 -3.134 -10.315 9.411 1.00 0.00 O ATOM 1893 CB SER A 123 -0.032 -10.238 9.613 1.00 0.00 C ATOM 1894 OG SER A 123 0.206 -11.183 10.642 1.00 0.00 O ATOM 0 H SER A 123 -0.814 -8.912 7.668 1.00 0.00 H new ATOM 0 HA SER A 123 -0.501 -11.720 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.915 -9.939 9.163 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.481 -9.340 10.037 1.00 0.00 H new ATOM 0 HG SER A 123 0.799 -10.790 11.316 1.00 0.00 H new ATOM 1900 N GLY A 124 -2.509 -12.476 9.375 1.00 0.00 N ATOM 1901 CA GLY A 124 -3.757 -12.937 9.955 1.00 0.00 C ATOM 1902 C GLY A 124 -3.884 -12.576 11.422 1.00 0.00 C ATOM 1903 O GLY A 124 -2.908 -12.218 12.081 1.00 0.00 O ATOM 0 H GLY A 124 -1.835 -13.213 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.592 -12.504 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.828 -14.019 9.843 1.00 0.00 H new ATOM 1907 N PRO A 125 -5.111 -12.669 11.954 1.00 0.00 N ATOM 1908 CA PRO A 125 -5.391 -12.352 13.358 1.00 0.00 C ATOM 1909 C PRO A 125 -4.793 -13.378 14.314 1.00 0.00 C ATOM 1910 O PRO A 125 -4.938 -13.266 15.531 1.00 0.00 O ATOM 1911 CB PRO A 125 -6.920 -12.382 13.430 1.00 0.00 C ATOM 1912 CG PRO A 125 -7.334 -13.285 12.320 1.00 0.00 C ATOM 1913 CD PRO A 125 -6.320 -13.090 11.227 1.00 0.00 C ATOM 0 HA PRO A 125 -4.955 -11.398 13.655 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -7.264 -12.757 14.394 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -7.342 -11.384 13.307 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -7.357 -14.324 12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -8.337 -13.039 11.970 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -6.152 -14.009 10.666 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -6.642 -12.334 10.511 1.00 0.00 H new ATOM 1921 N SER A 126 -4.119 -14.379 13.755 1.00 0.00 N ATOM 1922 CA SER A 126 -3.501 -15.427 14.558 1.00 0.00 C ATOM 1923 C SER A 126 -2.449 -14.844 15.496 1.00 0.00 C ATOM 1924 O SER A 126 -2.036 -15.488 16.461 1.00 0.00 O ATOM 1925 CB SER A 126 -2.865 -16.484 13.654 1.00 0.00 C ATOM 1926 OG SER A 126 -2.113 -15.881 12.615 1.00 0.00 O ATOM 0 H SER A 126 -3.987 -14.486 12.749 1.00 0.00 H new ATOM 0 HA SER A 126 -4.280 -15.895 15.160 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.219 -17.132 14.246 1.00 0.00 H new ATOM 0 HB3 SER A 126 -3.643 -17.116 13.225 1.00 0.00 H new ATOM 0 HG SER A 126 -1.715 -16.578 12.052 1.00 0.00 H new ATOM 1932 N SER A 127 -2.019 -13.620 15.205 1.00 0.00 N ATOM 1933 CA SER A 127 -1.012 -12.950 16.019 1.00 0.00 C ATOM 1934 C SER A 127 -1.656 -11.916 16.938 1.00 0.00 C ATOM 1935 O SER A 127 -2.296 -10.972 16.477 1.00 0.00 O ATOM 1936 CB SER A 127 0.031 -12.275 15.126 1.00 0.00 C ATOM 1937 OG SER A 127 0.682 -13.223 14.297 1.00 0.00 O ATOM 0 H SER A 127 -2.352 -13.073 14.412 1.00 0.00 H new ATOM 0 HA SER A 127 -0.520 -13.703 16.635 1.00 0.00 H new ATOM 0 HB2 SER A 127 -0.450 -11.517 14.508 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.767 -11.762 15.745 1.00 0.00 H new ATOM 0 HG SER A 127 1.342 -12.767 13.735 1.00 0.00 H new ATOM 1943 N GLY A 128 -1.481 -12.103 18.243 1.00 0.00 N ATOM 1944 CA GLY A 128 -2.051 -11.180 19.208 1.00 0.00 C ATOM 1945 C GLY A 128 -3.255 -11.760 19.923 1.00 0.00 C ATOM 1946 O GLY A 128 -3.186 -12.854 20.483 1.00 0.00 O ATOM 0 H GLY A 128 -0.955 -12.877 18.649 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -1.291 -10.911 19.942 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.342 -10.261 18.699 1.00 0.00 H new TER 1950 GLY A 128