USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 908 hydrogens (13 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 NoAdj-H: A 118 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 116 ASN : amide:sc= -5.56! C(o=-11!,f=-16!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -5.73! C(o=-11!,f=-14!) USER MOD Set 2.1: A 5 TYR OH : rot 52:sc= 1.31 USER MOD Set 2.2: A 57 TYR OH : rot -50:sc= 0.87 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.832 K(o=0.83,f=-8.4!) USER MOD Single : A 8 TYR OH : rot -112:sc= -1.66 USER MOD Single : A 10 THR OG1 : rot -179:sc= -0.925 USER MOD Single : A 14 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.059) USER MOD Single : A 18 MET CE :methyl -177:sc= 0 (180deg=-0.00908) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 69:sc= 0.953 USER MOD Single : A 39 THR OG1 : rot -61:sc= 0.13 USER MOD Single : A 40 MET CE :methyl 137:sc= -4.61! (180deg=-10.4!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -132:sc= -1.65 USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0.104 (180deg=0.103) USER MOD Single : A 82 MET CE :methyl -161:sc= -0.386 (180deg=-0.917) USER MOD Single : A 84 MET CE :methyl 167:sc= -0.34 (180deg=-0.834) USER MOD Single : A 85 GLN : amide:sc= -2.29 K(o=-2.3,f=-5.1!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 150:sc= -0.0107 (180deg=-0.485) USER MOD Single : A 101 THR OG1 : rot -107:sc= 0.305 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 141:sc= -0.746 (180deg=-0.976) USER MOD Single : A 115 TYR OH : rot -80:sc= 1.01 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.424 K(o=-0.42,f=-2.9!) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -18.551 -15.734 11.792 1.00 3.92 N ATOM 2 CA PRO A 1 -18.517 -15.298 13.215 1.00 3.44 C ATOM 3 C PRO A 1 -17.644 -14.051 13.374 1.00 3.50 C ATOM 4 O PRO A 1 -17.072 -13.555 12.422 1.00 4.94 O ATOM 5 CB PRO A 1 -17.899 -16.485 13.946 1.00 2.00 C ATOM 6 CG PRO A 1 -17.093 -17.193 12.909 1.00 4.99 C ATOM 7 CD PRO A 1 -17.784 -16.967 11.591 1.00 3.38 C ATOM 0 H2 PRO A 1 -18.172 -14.995 11.199 1.00 3.92 H new ATOM 0 H3 PRO A 1 -19.518 -15.882 11.503 1.00 3.92 H new ATOM 0 HA PRO A 1 -19.502 -15.033 13.600 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.274 -16.156 14.777 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.667 -17.136 14.363 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -16.074 -16.808 12.882 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -17.025 -18.258 13.132 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -17.066 -16.861 10.778 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -18.435 -17.803 11.334 1.00 3.38 H new ATOM 17 N THR A 2 -17.535 -13.540 14.571 1.00 3.08 N ATOM 18 CA THR A 2 -16.698 -12.326 14.792 1.00 2.08 C ATOM 19 C THR A 2 -15.481 -12.677 15.652 1.00 2.52 C ATOM 20 O THR A 2 -15.599 -13.305 16.685 1.00 2.28 O ATOM 21 CB THR A 2 -17.611 -11.343 15.528 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.662 -10.939 14.661 1.00 3.73 O ATOM 23 CG2 THR A 2 -16.803 -10.119 15.960 1.00 3.09 C ATOM 0 H THR A 2 -17.990 -13.911 15.405 1.00 3.08 H new ATOM 0 HA THR A 2 -16.319 -11.908 13.859 1.00 2.08 H new ATOM 0 HB THR A 2 -18.032 -11.826 16.410 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.250 -10.311 15.130 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.454 -9.420 16.484 1.00 3.09 H new ATOM 0 HG22 THR A 2 -15.997 -10.431 16.624 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.381 -9.633 15.080 1.00 3.09 H new ATOM 31 N VAL A 3 -14.311 -12.277 15.233 1.00 10.00 N ATOM 32 CA VAL A 3 -13.088 -12.591 16.026 1.00 10.00 C ATOM 33 C VAL A 3 -12.208 -11.348 16.166 1.00 10.00 C ATOM 34 O VAL A 3 -11.681 -10.836 15.199 1.00 10.00 O ATOM 35 CB VAL A 3 -12.363 -13.670 15.221 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.164 -14.181 16.021 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.322 -14.828 14.939 1.00 10.00 C ATOM 0 H VAL A 3 -14.149 -11.747 14.377 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.328 -12.923 17.036 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.017 -13.249 14.277 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.646 -14.950 15.449 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.481 -13.355 16.220 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.509 -14.602 16.965 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.805 -15.597 14.365 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.669 -15.251 15.882 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.176 -14.463 14.369 1.00 10.00 H new ATOM 47 N GLU A 4 -12.039 -10.859 17.364 1.00 10.00 N ATOM 48 CA GLU A 4 -11.187 -9.650 17.563 1.00 10.00 C ATOM 49 C GLU A 4 -9.714 -10.056 17.660 1.00 10.00 C ATOM 50 O GLU A 4 -9.318 -10.773 18.557 1.00 10.00 O ATOM 51 CB GLU A 4 -11.663 -9.046 18.883 1.00 50.00 C ATOM 52 CG GLU A 4 -11.613 -7.519 18.792 1.00 50.00 C ATOM 53 CD GLU A 4 -12.876 -6.929 19.424 1.00 50.00 C ATOM 54 OE1 GLU A 4 -13.482 -7.609 20.235 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.214 -5.805 19.088 1.00 50.00 O ATOM 0 H GLU A 4 -12.453 -11.243 18.213 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.270 -8.943 16.737 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.679 -9.375 19.100 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.033 -9.393 19.702 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.727 -7.142 19.304 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.536 -7.208 17.750 1.00 50.00 H new ATOM 62 N TYR A 5 -8.900 -9.605 16.744 1.00 10.00 N ATOM 63 CA TYR A 5 -7.455 -9.972 16.790 1.00 10.00 C ATOM 64 C TYR A 5 -6.663 -8.932 17.588 1.00 10.00 C ATOM 65 O TYR A 5 -6.995 -7.763 17.607 1.00 10.00 O ATOM 66 CB TYR A 5 -7.000 -9.991 15.330 1.00 10.00 C ATOM 67 CG TYR A 5 -7.290 -8.654 14.687 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.576 -7.516 15.083 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.270 -8.554 13.693 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.844 -6.278 14.483 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.539 -7.318 13.095 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.826 -6.180 13.489 1.00 50.00 C ATOM 73 OH TYR A 5 -8.090 -4.962 12.898 1.00 50.00 O ATOM 0 H TYR A 5 -9.171 -9.001 15.969 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.293 -10.933 17.279 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.933 -10.208 15.275 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.515 -10.785 14.789 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.820 -7.592 15.850 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -8.819 -9.432 13.387 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.294 -5.400 14.787 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.297 -7.242 12.329 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.252 -4.564 12.582 1.00 50.00 H new ATOM 83 N LEU A 6 -5.615 -9.350 18.245 1.00 10.00 N ATOM 84 CA LEU A 6 -4.796 -8.391 19.043 1.00 10.00 C ATOM 85 C LEU A 6 -3.305 -8.652 18.806 1.00 10.00 C ATOM 86 O LEU A 6 -2.869 -9.783 18.720 1.00 10.00 O ATOM 87 CB LEU A 6 -5.163 -8.669 20.502 1.00 12.50 C ATOM 88 CG LEU A 6 -5.680 -7.383 21.154 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.937 -7.630 22.641 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.636 -6.276 21.001 1.00 50.00 C ATOM 0 H LEU A 6 -5.289 -10.316 18.264 1.00 10.00 H new ATOM 0 HA LEU A 6 -4.988 -7.354 18.768 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -5.924 -9.447 20.554 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.292 -9.039 21.043 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.608 -7.081 20.668 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.305 -6.714 23.104 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.681 -8.419 22.756 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.009 -7.934 23.125 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.005 -5.361 21.465 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.709 -6.581 21.486 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.449 -6.096 19.942 1.00 50.00 H new ATOM 102 N ASN A 7 -2.519 -7.618 18.697 1.00 10.00 N ATOM 103 CA ASN A 7 -1.060 -7.814 18.463 1.00 10.00 C ATOM 104 C ASN A 7 -0.372 -8.276 19.748 1.00 10.00 C ATOM 105 O ASN A 7 -0.396 -7.595 20.754 1.00 10.00 O ATOM 106 CB ASN A 7 -0.539 -6.439 18.054 1.00 10.00 C ATOM 107 CG ASN A 7 0.961 -6.528 17.772 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.536 -7.598 17.811 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.623 -5.442 17.487 1.00 12.50 N ATOM 0 H ASN A 7 -2.823 -6.646 18.760 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.865 -8.573 17.705 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.067 -6.087 17.168 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.729 -5.715 18.847 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.624 -5.490 17.297 1.00 12.50 H new ATOM 0 HD22 ASN A 7 1.140 -4.544 17.454 1.00 12.50 H new ATOM 116 N TYR A 8 0.254 -9.422 19.725 1.00 50.00 N ATOM 117 CA TYR A 8 0.950 -9.904 20.950 1.00 50.00 C ATOM 118 C TYR A 8 1.952 -8.846 21.410 1.00 50.00 C ATOM 119 O TYR A 8 2.198 -8.675 22.588 1.00 50.00 O ATOM 120 CB TYR A 8 1.673 -11.184 20.529 1.00 50.00 C ATOM 121 CG TYR A 8 2.699 -11.547 21.577 1.00 50.00 C ATOM 122 CD1 TYR A 8 2.306 -12.231 22.734 1.00 50.00 C ATOM 123 CD2 TYR A 8 4.042 -11.196 21.394 1.00 50.00 C ATOM 124 CE1 TYR A 8 3.256 -12.566 23.706 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.991 -11.530 22.366 1.00 50.00 C ATOM 126 CZ TYR A 8 4.599 -12.215 23.522 1.00 50.00 C ATOM 127 OH TYR A 8 5.535 -12.545 24.481 1.00 50.00 O ATOM 0 H TYR A 8 0.313 -10.041 18.916 1.00 50.00 H new ATOM 0 HA TYR A 8 0.264 -10.090 21.777 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.957 -11.997 20.408 1.00 50.00 H new ATOM 0 HB3 TYR A 8 2.158 -11.040 19.563 1.00 50.00 H new ATOM 0 HD1 TYR A 8 1.270 -12.500 22.876 1.00 50.00 H new ATOM 0 HD2 TYR A 8 4.345 -10.667 20.502 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.953 -13.095 24.598 1.00 50.00 H new ATOM 0 HE2 TYR A 8 6.027 -11.259 22.224 1.00 50.00 H new ATOM 0 HH TYR A 8 5.859 -11.729 24.917 1.00 50.00 H new ATOM 137 N GLU A 9 2.526 -8.126 20.484 1.00 25.00 N ATOM 138 CA GLU A 9 3.505 -7.068 20.859 1.00 25.00 C ATOM 139 C GLU A 9 2.807 -5.998 21.702 1.00 25.00 C ATOM 140 O GLU A 9 3.330 -5.537 22.696 1.00 25.00 O ATOM 141 CB GLU A 9 3.983 -6.481 19.531 1.00 50.00 C ATOM 142 CG GLU A 9 5.473 -6.143 19.629 1.00 50.00 C ATOM 143 CD GLU A 9 5.947 -5.541 18.305 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.123 -5.382 17.420 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.127 -5.248 18.198 1.00 50.00 O ATOM 0 H GLU A 9 2.358 -8.226 19.483 1.00 25.00 H new ATOM 0 HA GLU A 9 4.335 -7.455 21.450 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.813 -7.194 18.724 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.411 -5.585 19.290 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.644 -5.439 20.443 1.00 50.00 H new ATOM 0 HG3 GLU A 9 6.046 -7.041 19.858 1.00 50.00 H new ATOM 152 N THR A 10 1.624 -5.608 21.313 1.00 50.00 N ATOM 153 CA THR A 10 0.885 -4.574 22.094 1.00 50.00 C ATOM 154 C THR A 10 0.710 -5.042 23.539 1.00 50.00 C ATOM 155 O THR A 10 0.644 -4.247 24.457 1.00 50.00 O ATOM 156 CB THR A 10 -0.473 -4.447 21.401 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.292 -3.905 20.100 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.381 -3.527 22.218 1.00 50.00 C ATOM 0 H THR A 10 1.137 -5.960 20.489 1.00 50.00 H new ATOM 0 HA THR A 10 1.412 -3.621 22.127 1.00 50.00 H new ATOM 0 HB THR A 10 -0.934 -5.432 21.323 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.163 -3.810 19.661 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.348 -3.437 21.723 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.521 -3.945 23.215 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.922 -2.542 22.299 1.00 50.00 H new ATOM 166 N LEU A 11 0.641 -6.329 23.750 1.00 50.00 N ATOM 167 CA LEU A 11 0.479 -6.851 25.137 1.00 50.00 C ATOM 168 C LEU A 11 1.722 -6.517 25.962 1.00 50.00 C ATOM 169 O LEU A 11 1.632 -6.019 27.067 1.00 50.00 O ATOM 170 CB LEU A 11 0.328 -8.364 24.978 1.00 50.00 C ATOM 171 CG LEU A 11 -0.457 -8.930 26.163 1.00 50.00 C ATOM 172 CD1 LEU A 11 0.119 -8.377 27.468 1.00 50.00 C ATOM 173 CD2 LEU A 11 -1.927 -8.525 26.042 1.00 50.00 C ATOM 0 H LEU A 11 0.690 -7.041 23.021 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.377 -6.413 25.651 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -0.188 -8.592 24.045 1.00 50.00 H new ATOM 0 HB3 LEU A 11 1.310 -8.834 24.922 1.00 50.00 H new ATOM 0 HG LEU A 11 -0.379 -10.017 26.164 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.440 -8.780 28.312 1.00 50.00 H new ATOM 0 HD12 LEU A 11 1.166 -8.666 27.555 1.00 50.00 H new ATOM 0 HD13 LEU A 11 0.042 -7.290 27.468 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -2.486 -8.928 26.886 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -2.006 -7.438 26.041 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -2.338 -8.920 25.113 1.00 50.00 H new ATOM 185 N ASP A 12 2.882 -6.784 25.430 1.00 50.00 N ATOM 186 CA ASP A 12 4.132 -6.475 26.180 1.00 50.00 C ATOM 187 C ASP A 12 4.395 -4.968 26.150 1.00 50.00 C ATOM 188 O ASP A 12 4.806 -4.378 27.130 1.00 50.00 O ATOM 189 CB ASP A 12 5.239 -7.228 25.443 1.00 50.00 C ATOM 190 CG ASP A 12 5.228 -8.697 25.869 1.00 50.00 C ATOM 191 OD1 ASP A 12 4.514 -9.017 26.806 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.934 -9.478 25.252 1.00 50.00 O ATOM 0 H ASP A 12 3.019 -7.202 24.510 1.00 50.00 H new ATOM 0 HA ASP A 12 4.072 -6.772 27.227 1.00 50.00 H new ATOM 0 HB2 ASP A 12 5.092 -7.150 24.366 1.00 50.00 H new ATOM 0 HB3 ASP A 12 6.208 -6.781 25.666 1.00 50.00 H new ATOM 197 N ASP A 13 4.155 -4.339 25.030 1.00 50.00 N ATOM 198 CA ASP A 13 4.385 -2.870 24.939 1.00 50.00 C ATOM 199 C ASP A 13 3.614 -2.153 26.050 1.00 50.00 C ATOM 200 O ASP A 13 4.180 -1.436 26.850 1.00 50.00 O ATOM 201 CB ASP A 13 3.845 -2.468 23.566 1.00 50.00 C ATOM 202 CG ASP A 13 5.004 -2.370 22.571 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.018 -1.793 22.928 1.00 50.00 O ATOM 204 OD2 ASP A 13 4.858 -2.875 21.470 1.00 50.00 O ATOM 0 H ASP A 13 3.810 -4.779 24.177 1.00 50.00 H new ATOM 0 HA ASP A 13 5.436 -2.605 25.054 1.00 50.00 H new ATOM 0 HB2 ASP A 13 3.116 -3.202 23.221 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.327 -1.511 23.633 1.00 50.00 H new ATOM 209 N GLN A 14 2.325 -2.351 26.112 1.00 50.00 N ATOM 210 CA GLN A 14 1.519 -1.689 27.177 1.00 50.00 C ATOM 211 C GLN A 14 1.783 -2.367 28.522 1.00 50.00 C ATOM 212 O GLN A 14 1.688 -1.756 29.569 1.00 50.00 O ATOM 213 CB GLN A 14 0.063 -1.882 26.752 1.00 50.00 C ATOM 214 CG GLN A 14 -0.842 -1.000 27.615 1.00 50.00 C ATOM 215 CD GLN A 14 -1.473 0.088 26.743 1.00 50.00 C ATOM 216 OE1 GLN A 14 -1.446 1.253 27.090 1.00 50.00 O ATOM 217 NE2 GLN A 14 -2.047 -0.246 25.621 1.00 50.00 N ATOM 0 H GLN A 14 1.796 -2.942 25.471 1.00 50.00 H new ATOM 0 HA GLN A 14 1.768 -0.634 27.294 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -0.057 -1.625 25.700 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -0.222 -2.929 26.859 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -1.620 -1.605 28.081 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -0.265 -0.546 28.421 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -2.069 -1.224 25.331 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -2.474 0.470 25.034 1.00 50.00 H new ATOM 226 N GLY A 15 2.118 -3.629 28.501 1.00 50.00 N ATOM 227 CA GLY A 15 2.392 -4.352 29.774 1.00 50.00 C ATOM 228 C GLY A 15 1.074 -4.645 30.492 1.00 50.00 C ATOM 229 O GLY A 15 0.981 -4.551 31.700 1.00 50.00 O ATOM 0 H GLY A 15 2.214 -4.191 27.655 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.921 -5.283 29.569 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.040 -3.752 30.413 1.00 50.00 H new ATOM 233 N TRP A 16 0.053 -5.003 29.762 1.00 50.00 N ATOM 234 CA TRP A 16 -1.256 -5.303 30.412 1.00 50.00 C ATOM 235 C TRP A 16 -1.410 -6.812 30.622 1.00 50.00 C ATOM 236 O TRP A 16 -0.483 -7.574 30.425 1.00 50.00 O ATOM 237 CB TRP A 16 -2.313 -4.783 29.437 1.00 50.00 C ATOM 238 CG TRP A 16 -3.094 -3.687 30.091 1.00 50.00 C ATOM 239 CD1 TRP A 16 -4.426 -3.497 29.954 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.618 -2.634 30.978 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.799 -2.394 30.703 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.720 -1.828 31.351 1.00 50.00 C ATOM 243 CE3 TRP A 16 -1.351 -2.302 31.491 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.569 -0.732 32.202 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -1.196 -1.200 32.348 1.00 50.00 C ATOM 246 CH2 TRP A 16 -2.303 -0.417 32.703 1.00 50.00 C ATOM 0 H TRP A 16 0.068 -5.101 28.747 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.346 -4.837 31.393 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.836 -4.413 28.529 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.980 -5.593 29.140 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -5.090 -4.106 29.358 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -5.754 -2.043 30.768 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -0.491 -2.899 31.224 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -4.425 -0.131 32.472 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -0.218 -0.955 32.736 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -2.178 0.429 33.363 1.00 50.00 H new ATOM 257 N ASP A 17 -2.570 -7.251 31.027 1.00 50.00 N ATOM 258 CA ASP A 17 -2.778 -8.710 31.254 1.00 50.00 C ATOM 259 C ASP A 17 -3.254 -9.389 29.968 1.00 50.00 C ATOM 260 O ASP A 17 -3.516 -8.744 28.972 1.00 50.00 O ATOM 261 CB ASP A 17 -3.857 -8.792 32.334 1.00 50.00 C ATOM 262 CG ASP A 17 -3.196 -8.967 33.702 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.208 -8.295 33.951 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.689 -9.769 34.479 1.00 50.00 O ATOM 0 H ASP A 17 -3.383 -6.663 31.211 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.859 -9.214 31.554 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.465 -7.888 32.325 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.526 -9.628 32.132 1.00 50.00 H new ATOM 269 N MET A 18 -3.365 -10.690 29.981 1.00 50.00 N ATOM 270 CA MET A 18 -3.822 -11.414 28.760 1.00 50.00 C ATOM 271 C MET A 18 -5.324 -11.208 28.547 1.00 50.00 C ATOM 272 O MET A 18 -5.777 -10.989 27.442 1.00 50.00 O ATOM 273 CB MET A 18 -3.518 -12.887 29.038 1.00 50.00 C ATOM 274 CG MET A 18 -2.218 -13.282 28.335 1.00 50.00 C ATOM 275 SD MET A 18 -2.117 -15.085 28.218 1.00 50.00 S ATOM 276 CE MET A 18 -1.569 -15.392 29.915 1.00 50.00 C ATOM 0 H MET A 18 -3.159 -11.283 30.785 1.00 50.00 H new ATOM 0 HA MET A 18 -3.324 -11.055 27.859 1.00 50.00 H new ATOM 0 HB2 MET A 18 -3.429 -13.054 30.111 1.00 50.00 H new ATOM 0 HB3 MET A 18 -4.339 -13.511 28.685 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.182 -12.840 27.339 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.362 -12.894 28.887 1.00 50.00 H new ATOM 0 HE1 MET A 18 -1.389 -16.458 30.052 1.00 50.00 H new ATOM 0 HE2 MET A 18 -0.648 -14.841 30.105 1.00 50.00 H new ATOM 0 HE3 MET A 18 -2.340 -15.062 30.612 1.00 50.00 H new ATOM 286 N ASP A 19 -6.101 -11.284 29.593 1.00 50.00 N ATOM 287 CA ASP A 19 -7.574 -11.098 29.436 1.00 50.00 C ATOM 288 C ASP A 19 -8.190 -10.509 30.709 1.00 50.00 C ATOM 289 O ASP A 19 -9.395 -10.467 30.859 1.00 50.00 O ATOM 290 CB ASP A 19 -8.118 -12.502 29.183 1.00 50.00 C ATOM 291 CG ASP A 19 -7.969 -13.341 30.455 1.00 50.00 C ATOM 292 OD1 ASP A 19 -8.578 -12.985 31.449 1.00 50.00 O ATOM 293 OD2 ASP A 19 -7.246 -14.322 30.411 1.00 50.00 O ATOM 0 H ASP A 19 -5.783 -11.466 30.545 1.00 50.00 H new ATOM 0 HA ASP A 19 -7.813 -10.406 28.628 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -9.166 -12.450 28.889 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -7.578 -12.970 28.360 1.00 50.00 H new ATOM 298 N ASP A 20 -7.383 -10.052 31.626 1.00 50.00 N ATOM 299 CA ASP A 20 -7.943 -9.466 32.878 1.00 50.00 C ATOM 300 C ASP A 20 -8.400 -8.028 32.621 1.00 50.00 C ATOM 301 O ASP A 20 -9.517 -7.659 32.924 1.00 50.00 O ATOM 302 CB ASP A 20 -6.793 -9.498 33.885 1.00 50.00 C ATOM 303 CG ASP A 20 -7.164 -8.657 35.108 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.970 -9.119 35.899 1.00 50.00 O ATOM 305 OD2 ASP A 20 -6.633 -7.565 35.235 1.00 50.00 O ATOM 0 H ASP A 20 -6.365 -10.058 31.564 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.810 -10.016 33.243 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -6.587 -10.525 34.185 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.883 -9.111 33.427 1.00 50.00 H new ATOM 310 N ASP A 21 -7.548 -7.218 32.057 1.00 50.00 N ATOM 311 CA ASP A 21 -7.933 -5.807 31.772 1.00 50.00 C ATOM 312 C ASP A 21 -8.774 -5.740 30.493 1.00 50.00 C ATOM 313 O ASP A 21 -9.099 -4.675 30.007 1.00 50.00 O ATOM 314 CB ASP A 21 -6.609 -5.067 31.583 1.00 50.00 C ATOM 315 CG ASP A 21 -6.326 -4.204 32.815 1.00 50.00 C ATOM 316 OD1 ASP A 21 -7.166 -3.383 33.144 1.00 50.00 O ATOM 317 OD2 ASP A 21 -5.273 -4.379 33.406 1.00 50.00 O ATOM 0 H ASP A 21 -6.600 -7.473 31.781 1.00 50.00 H new ATOM 0 HA ASP A 21 -8.533 -5.371 32.571 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -5.799 -5.781 31.432 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -6.653 -4.442 30.691 1.00 50.00 H new ATOM 322 N ASP A 22 -9.124 -6.872 29.944 1.00 50.00 N ATOM 323 CA ASP A 22 -9.940 -6.875 28.698 1.00 50.00 C ATOM 324 C ASP A 22 -9.319 -5.938 27.662 1.00 50.00 C ATOM 325 O ASP A 22 -9.979 -5.086 27.102 1.00 50.00 O ATOM 326 CB ASP A 22 -11.320 -6.373 29.122 1.00 50.00 C ATOM 327 CG ASP A 22 -12.183 -7.560 29.556 1.00 50.00 C ATOM 328 OD1 ASP A 22 -12.245 -8.524 28.811 1.00 50.00 O ATOM 329 OD2 ASP A 22 -12.766 -7.484 30.624 1.00 50.00 O ATOM 0 H ASP A 22 -8.880 -7.794 30.305 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.994 -7.863 28.241 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -11.224 -5.661 29.941 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.797 -5.846 28.296 1.00 50.00 H new ATOM 334 N LEU A 23 -8.050 -6.093 27.406 1.00 50.00 N ATOM 335 CA LEU A 23 -7.377 -5.214 26.408 1.00 50.00 C ATOM 336 C LEU A 23 -8.255 -5.059 25.163 1.00 50.00 C ATOM 337 O LEU A 23 -8.380 -3.984 24.610 1.00 50.00 O ATOM 338 CB LEU A 23 -6.073 -5.932 26.061 1.00 50.00 C ATOM 339 CG LEU A 23 -4.924 -5.317 26.864 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.608 -5.992 26.472 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.838 -3.819 26.565 1.00 50.00 C ATOM 0 H LEU A 23 -7.449 -6.791 27.845 1.00 50.00 H new ATOM 0 HA LEU A 23 -7.197 -4.211 26.796 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -6.160 -6.995 26.285 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.871 -5.847 24.993 1.00 50.00 H new ATOM 0 HG LEU A 23 -5.105 -5.466 27.929 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.790 -5.554 27.044 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -3.669 -7.059 26.685 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.426 -5.844 25.407 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.020 -3.380 27.136 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.658 -3.670 25.500 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -5.775 -3.338 26.845 1.00 50.00 H new ATOM 353 N PHE A 24 -8.867 -6.123 24.719 1.00 50.00 N ATOM 354 CA PHE A 24 -9.739 -6.032 23.513 1.00 50.00 C ATOM 355 C PHE A 24 -10.779 -4.928 23.710 1.00 50.00 C ATOM 356 O PHE A 24 -11.297 -4.371 22.763 1.00 50.00 O ATOM 357 CB PHE A 24 -10.422 -7.396 23.411 1.00 50.00 C ATOM 358 CG PHE A 24 -9.445 -8.420 22.882 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.180 -8.491 21.509 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.808 -9.301 23.764 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.278 -9.442 21.018 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.905 -10.253 23.273 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.641 -10.323 21.900 1.00 50.00 C ATOM 0 H PHE A 24 -8.801 -7.050 25.139 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.177 -5.792 22.610 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.790 -7.703 24.390 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.287 -7.331 22.751 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.672 -7.812 20.829 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.013 -9.247 24.823 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.073 -9.496 19.959 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.413 -10.932 23.953 1.00 50.00 H new ATOM 0 HZ PHE A 24 -6.945 -11.057 21.521 1.00 50.00 H new ATOM 373 N GLU A 25 -11.088 -4.613 24.938 1.00 50.00 N ATOM 374 CA GLU A 25 -12.097 -3.548 25.204 1.00 50.00 C ATOM 375 C GLU A 25 -11.397 -2.226 25.533 1.00 50.00 C ATOM 376 O GLU A 25 -11.769 -1.178 25.045 1.00 50.00 O ATOM 377 CB GLU A 25 -12.893 -4.049 26.410 1.00 50.00 C ATOM 378 CG GLU A 25 -14.358 -3.637 26.261 1.00 50.00 C ATOM 379 CD GLU A 25 -14.552 -2.228 26.827 1.00 50.00 C ATOM 380 OE1 GLU A 25 -13.692 -1.395 26.595 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.556 -2.008 27.484 1.00 50.00 O ATOM 0 H GLU A 25 -10.686 -5.047 25.769 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.738 -3.361 24.342 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.815 -5.134 26.485 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -12.479 -3.635 27.330 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -14.649 -3.662 25.211 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -15.001 -4.343 26.787 1.00 50.00 H new ATOM 388 N LYS A 26 -10.388 -2.266 26.359 1.00 50.00 N ATOM 389 CA LYS A 26 -9.670 -1.009 26.716 1.00 50.00 C ATOM 390 C LYS A 26 -8.827 -0.529 25.532 1.00 50.00 C ATOM 391 O LYS A 26 -8.574 0.649 25.373 1.00 50.00 O ATOM 392 CB LYS A 26 -8.772 -1.381 27.895 1.00 50.00 C ATOM 393 CG LYS A 26 -8.225 -0.108 28.542 1.00 50.00 C ATOM 394 CD LYS A 26 -8.348 -0.214 30.063 1.00 50.00 C ATOM 395 CE LYS A 26 -9.104 1.004 30.601 1.00 50.00 C ATOM 396 NZ LYS A 26 -9.216 0.767 32.067 1.00 50.00 N ATOM 0 H LYS A 26 -10.030 -3.112 26.802 1.00 50.00 H new ATOM 0 HA LYS A 26 -10.357 -0.201 26.968 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -9.336 -1.960 28.627 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -7.950 -2.011 27.555 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -7.182 0.036 28.260 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -8.776 0.761 28.182 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -8.874 -1.130 30.333 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -7.358 -0.270 30.515 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -8.566 1.928 30.390 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -10.087 1.095 30.139 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -9.723 1.560 32.509 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -9.738 -0.116 32.237 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -8.265 0.691 32.480 1.00 50.00 H new ATOM 410 N ALA A 27 -8.391 -1.433 24.699 1.00 50.00 N ATOM 411 CA ALA A 27 -7.566 -1.029 23.525 1.00 50.00 C ATOM 412 C ALA A 27 -8.327 -0.005 22.680 1.00 50.00 C ATOM 413 O ALA A 27 -7.744 0.755 21.931 1.00 50.00 O ATOM 414 CB ALA A 27 -7.341 -2.317 22.733 1.00 50.00 C ATOM 0 H ALA A 27 -8.570 -2.434 24.780 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.624 -0.566 23.820 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.739 -2.101 21.850 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.820 -3.042 23.358 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.303 -2.727 22.425 1.00 50.00 H new ATOM 420 N ALA A 28 -9.626 0.024 22.798 1.00 50.00 N ATOM 421 CA ALA A 28 -10.426 1.000 22.005 1.00 50.00 C ATOM 422 C ALA A 28 -10.188 2.420 22.525 1.00 50.00 C ATOM 423 O ALA A 28 -10.284 3.385 21.793 1.00 50.00 O ATOM 424 CB ALA A 28 -11.882 0.588 22.220 1.00 50.00 C ATOM 0 H ALA A 28 -10.168 -0.586 23.410 1.00 50.00 H new ATOM 0 HA ALA A 28 -10.154 0.997 20.949 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.536 1.261 21.666 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -12.028 -0.432 21.866 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -12.122 0.641 23.282 1.00 50.00 H new ATOM 430 N ASP A 29 -9.877 2.552 23.784 1.00 50.00 N ATOM 431 CA ASP A 29 -9.630 3.908 24.353 1.00 50.00 C ATOM 432 C ASP A 29 -8.253 4.417 23.916 1.00 50.00 C ATOM 433 O ASP A 29 -7.990 5.604 23.916 1.00 50.00 O ATOM 434 CB ASP A 29 -9.677 3.717 25.870 1.00 50.00 C ATOM 435 CG ASP A 29 -11.038 4.173 26.399 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.612 5.072 25.807 1.00 50.00 O ATOM 437 OD2 ASP A 29 -11.485 3.614 27.388 1.00 50.00 O ATOM 0 H ASP A 29 -9.783 1.780 24.444 1.00 50.00 H new ATOM 0 HA ASP A 29 -10.363 4.640 24.014 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.510 2.670 26.121 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -8.880 4.290 26.344 1.00 50.00 H new ATOM 442 N ALA A 30 -7.374 3.528 23.541 1.00 50.00 N ATOM 443 CA ALA A 30 -6.016 3.958 23.102 1.00 50.00 C ATOM 444 C ALA A 30 -6.015 4.239 21.598 1.00 50.00 C ATOM 445 O ALA A 30 -5.799 5.353 21.163 1.00 50.00 O ATOM 446 CB ALA A 30 -5.101 2.777 23.429 1.00 50.00 C ATOM 0 H ALA A 30 -7.538 2.521 23.520 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.690 4.873 23.597 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -4.079 3.016 23.134 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.133 2.578 24.500 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.438 1.894 22.886 1.00 50.00 H new ATOM 452 N GLY A 31 -6.257 3.236 20.806 1.00 50.00 N ATOM 453 CA GLY A 31 -6.273 3.435 19.329 1.00 50.00 C ATOM 454 C GLY A 31 -5.071 2.725 18.703 1.00 50.00 C ATOM 455 O GLY A 31 -4.260 3.331 18.031 1.00 50.00 O ATOM 0 H GLY A 31 -6.445 2.283 21.117 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.199 3.043 18.909 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -6.242 4.499 19.095 1.00 50.00 H new ATOM 459 N LEU A 32 -4.951 1.444 18.919 1.00 50.00 N ATOM 460 CA LEU A 32 -3.801 0.693 18.338 1.00 50.00 C ATOM 461 C LEU A 32 -3.982 0.529 16.827 1.00 50.00 C ATOM 462 O LEU A 32 -5.060 0.712 16.298 1.00 50.00 O ATOM 463 CB LEU A 32 -3.828 -0.669 19.031 1.00 50.00 C ATOM 464 CG LEU A 32 -3.074 -0.581 20.361 1.00 50.00 C ATOM 465 CD1 LEU A 32 -1.573 -0.466 20.088 1.00 50.00 C ATOM 466 CD2 LEU A 32 -3.548 0.650 21.136 1.00 50.00 C ATOM 0 H LEU A 32 -5.599 0.884 19.473 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.853 1.210 18.489 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.858 -0.980 19.205 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.371 -1.424 18.391 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.269 -1.477 20.950 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -1.035 -0.403 21.034 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -1.235 -1.343 19.536 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -1.378 0.430 19.499 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -3.011 0.713 22.083 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -3.353 1.547 20.548 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -4.618 0.568 21.330 1.00 50.00 H new ATOM 478 N ASP A 33 -2.935 0.186 16.130 1.00 50.00 N ATOM 479 CA ASP A 33 -3.046 0.010 14.654 1.00 50.00 C ATOM 480 C ASP A 33 -4.067 -1.084 14.326 1.00 50.00 C ATOM 481 O ASP A 33 -4.221 -2.041 15.057 1.00 50.00 O ATOM 482 CB ASP A 33 -1.648 -0.408 14.201 1.00 50.00 C ATOM 483 CG ASP A 33 -1.106 0.621 13.206 1.00 50.00 C ATOM 484 OD1 ASP A 33 -1.655 1.709 13.152 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.151 0.302 12.517 1.00 50.00 O ATOM 0 H ASP A 33 -2.007 0.020 16.518 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.383 0.918 14.153 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -0.983 -0.484 15.061 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.684 -1.394 13.738 1.00 50.00 H new ATOM 490 N GLY A 34 -4.765 -0.947 13.232 1.00 50.00 N ATOM 491 CA GLY A 34 -5.774 -1.976 12.858 1.00 50.00 C ATOM 492 C GLY A 34 -5.079 -3.323 12.643 1.00 50.00 C ATOM 493 O GLY A 34 -5.656 -4.371 12.856 1.00 50.00 O ATOM 0 H GLY A 34 -4.680 -0.166 12.581 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.526 -2.064 13.642 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.295 -1.675 11.949 1.00 50.00 H new ATOM 497 N GLU A 35 -3.844 -3.303 12.223 1.00 50.00 N ATOM 498 CA GLU A 35 -3.113 -4.584 11.994 1.00 50.00 C ATOM 499 C GLU A 35 -2.730 -5.224 13.332 1.00 50.00 C ATOM 500 O GLU A 35 -2.131 -6.279 13.377 1.00 50.00 O ATOM 501 CB GLU A 35 -1.861 -4.188 11.212 1.00 50.00 C ATOM 502 CG GLU A 35 -1.940 -4.761 9.795 1.00 50.00 C ATOM 503 CD GLU A 35 -0.634 -4.466 9.054 1.00 50.00 C ATOM 504 OE1 GLU A 35 0.285 -5.259 9.176 1.00 50.00 O ATOM 505 OE2 GLU A 35 -0.576 -3.452 8.378 1.00 50.00 O ATOM 0 H GLU A 35 -3.309 -2.457 12.028 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.718 -5.314 11.456 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.773 -3.102 11.172 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -0.971 -4.562 11.717 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -2.113 -5.836 9.835 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.782 -4.322 9.260 1.00 50.00 H new ATOM 512 N ASP A 36 -3.068 -4.589 14.420 1.00 50.00 N ATOM 513 CA ASP A 36 -2.721 -5.157 15.756 1.00 50.00 C ATOM 514 C ASP A 36 -3.995 -5.457 16.549 1.00 50.00 C ATOM 515 O ASP A 36 -4.176 -6.543 17.064 1.00 50.00 O ATOM 516 CB ASP A 36 -1.908 -4.059 16.446 1.00 50.00 C ATOM 517 CG ASP A 36 -0.624 -3.799 15.656 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.668 -3.903 14.442 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.380 -3.500 16.280 1.00 50.00 O ATOM 0 H ASP A 36 -3.570 -3.701 14.443 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.167 -6.093 15.679 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.497 -3.144 16.514 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.665 -4.358 17.466 1.00 50.00 H new ATOM 524 N TYR A 37 -4.877 -4.501 16.656 1.00 12.50 N ATOM 525 CA TYR A 37 -6.137 -4.729 17.422 1.00 12.50 C ATOM 526 C TYR A 37 -7.347 -4.316 16.578 1.00 12.50 C ATOM 527 O TYR A 37 -7.361 -3.267 15.964 1.00 12.50 O ATOM 528 CB TYR A 37 -6.001 -3.841 18.663 1.00 12.50 C ATOM 529 CG TYR A 37 -7.362 -3.580 19.263 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.147 -4.649 19.711 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.838 -2.268 19.371 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.410 -4.405 20.267 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.099 -2.024 19.927 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.885 -3.092 20.375 1.00 12.50 C ATOM 535 OH TYR A 37 -11.128 -2.851 20.925 1.00 50.00 O ATOM 0 H TYR A 37 -4.780 -3.572 16.246 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.287 -5.775 17.688 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.357 -4.325 19.398 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.526 -2.897 18.395 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.779 -5.661 19.628 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.232 -1.444 19.025 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -10.017 -5.229 20.612 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.466 -1.012 20.010 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.107 -3.057 21.883 1.00 50.00 H new ATOM 545 N GLY A 38 -8.364 -5.134 16.543 1.00 10.00 N ATOM 546 CA GLY A 38 -9.572 -4.790 15.740 1.00 10.00 C ATOM 547 C GLY A 38 -10.480 -6.018 15.636 1.00 10.00 C ATOM 548 O GLY A 38 -10.083 -7.123 15.949 1.00 10.00 O ATOM 0 H GLY A 38 -8.410 -6.026 17.036 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.110 -3.965 16.207 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.278 -4.456 14.745 1.00 10.00 H new ATOM 552 N THR A 39 -11.697 -5.835 15.199 1.00 10.00 N ATOM 553 CA THR A 39 -12.628 -6.994 15.076 1.00 10.00 C ATOM 554 C THR A 39 -12.435 -7.691 13.725 1.00 10.00 C ATOM 555 O THR A 39 -12.460 -7.066 12.684 1.00 10.00 O ATOM 556 CB THR A 39 -14.029 -6.386 15.172 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.000 -5.274 16.056 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.007 -7.436 15.700 1.00 50.00 C ATOM 0 H THR A 39 -12.087 -4.934 14.922 1.00 10.00 H new ATOM 0 HA THR A 39 -12.455 -7.746 15.846 1.00 10.00 H new ATOM 0 HB THR A 39 -14.352 -6.057 14.184 1.00 50.00 H new ATOM 0 HG1 THR A 39 -13.731 -5.573 16.949 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.005 -7.002 15.768 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.027 -8.288 15.021 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.687 -7.767 16.688 1.00 50.00 H new ATOM 566 N MET A 40 -12.242 -8.983 13.736 1.00 10.00 N ATOM 567 CA MET A 40 -12.045 -9.719 12.454 1.00 10.00 C ATOM 568 C MET A 40 -13.335 -10.436 12.048 1.00 10.00 C ATOM 569 O MET A 40 -13.503 -11.616 12.285 1.00 10.00 O ATOM 570 CB MET A 40 -10.941 -10.737 12.744 1.00 10.00 C ATOM 571 CG MET A 40 -10.010 -10.840 11.533 1.00 10.00 C ATOM 572 SD MET A 40 -8.957 -12.302 11.706 1.00 12.50 S ATOM 573 CE MET A 40 -9.523 -13.167 10.221 1.00 50.00 C ATOM 0 H MET A 40 -12.212 -9.560 14.577 1.00 10.00 H new ATOM 0 HA MET A 40 -11.781 -9.050 11.635 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.376 -10.435 13.626 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.378 -11.711 12.964 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.595 -10.906 10.616 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.396 -9.943 11.455 1.00 10.00 H new ATOM 0 HE1 MET A 40 -8.666 -13.591 9.698 1.00 50.00 H new ATOM 0 HE2 MET A 40 -10.207 -13.967 10.504 1.00 50.00 H new ATOM 0 HE3 MET A 40 -10.037 -12.465 9.565 1.00 50.00 H new ATOM 583 N GLU A 41 -14.246 -9.734 11.433 1.00 10.00 N ATOM 584 CA GLU A 41 -15.524 -10.375 11.009 1.00 10.00 C ATOM 585 C GLU A 41 -15.292 -11.242 9.766 1.00 10.00 C ATOM 586 O GLU A 41 -15.048 -10.740 8.688 1.00 10.00 O ATOM 587 CB GLU A 41 -16.460 -9.210 10.680 1.00 10.00 C ATOM 588 CG GLU A 41 -17.896 -9.725 10.566 1.00 10.00 C ATOM 589 CD GLU A 41 -18.865 -8.540 10.590 1.00 12.50 C ATOM 590 OE1 GLU A 41 -18.398 -7.416 10.489 1.00 12.50 O ATOM 591 OE2 GLU A 41 -20.056 -8.776 10.709 1.00 12.50 O ATOM 0 H GLU A 41 -14.161 -8.743 11.205 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.936 -11.026 11.780 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -16.396 -8.448 11.457 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.156 -8.738 9.745 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -18.019 -10.291 9.642 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -18.116 -10.406 11.388 1.00 10.00 H new ATOM 598 N VAL A 42 -15.369 -12.537 9.907 1.00 10.00 N ATOM 599 CA VAL A 42 -15.153 -13.425 8.729 1.00 10.00 C ATOM 600 C VAL A 42 -16.250 -14.488 8.655 1.00 10.00 C ATOM 601 O VAL A 42 -16.955 -14.736 9.613 1.00 10.00 O ATOM 602 CB VAL A 42 -13.788 -14.075 8.962 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.733 -12.985 9.163 1.00 10.00 C ATOM 604 CG2 VAL A 42 -13.848 -14.963 10.207 1.00 10.00 C ATOM 0 H VAL A 42 -15.571 -13.018 10.784 1.00 10.00 H new ATOM 0 HA VAL A 42 -15.185 -12.874 7.789 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.524 -14.683 8.097 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.760 -13.447 9.329 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -12.688 -12.354 8.275 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.998 -12.377 10.028 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -12.875 -15.425 10.371 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.113 -14.357 11.074 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -14.599 -15.740 10.064 1.00 10.00 H new ATOM 614 N ALA A 43 -16.401 -15.118 7.522 1.00 10.00 N ATOM 615 CA ALA A 43 -17.454 -16.163 7.381 1.00 10.00 C ATOM 616 C ALA A 43 -17.079 -17.409 8.188 1.00 10.00 C ATOM 617 O ALA A 43 -15.918 -17.714 8.377 1.00 10.00 O ATOM 618 CB ALA A 43 -17.494 -16.487 5.888 1.00 50.00 C ATOM 0 H ALA A 43 -15.839 -14.954 6.687 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.421 -15.824 7.752 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.248 -17.252 5.702 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -17.744 -15.587 5.327 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.518 -16.854 5.569 1.00 50.00 H new ATOM 624 N GLU A 44 -18.055 -18.132 8.664 1.00 10.00 N ATOM 625 CA GLU A 44 -17.756 -19.358 9.457 1.00 10.00 C ATOM 626 C GLU A 44 -16.967 -20.358 8.608 1.00 10.00 C ATOM 627 O GLU A 44 -17.442 -20.844 7.601 1.00 10.00 O ATOM 628 CB GLU A 44 -19.123 -19.932 9.830 1.00 10.00 C ATOM 629 CG GLU A 44 -19.075 -20.479 11.258 1.00 10.00 C ATOM 630 CD GLU A 44 -20.480 -20.902 11.689 1.00 25.00 C ATOM 631 OE1 GLU A 44 -21.284 -20.026 11.964 1.00 25.00 O ATOM 632 OE2 GLU A 44 -20.729 -22.096 11.737 1.00 25.00 O ATOM 0 H GLU A 44 -19.046 -17.927 8.538 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.151 -19.143 10.338 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.888 -19.159 9.751 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.398 -20.725 9.135 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -18.395 -21.330 11.310 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -18.688 -19.719 11.937 1.00 10.00 H new ATOM 639 N GLY A 45 -15.764 -20.667 9.009 1.00 10.00 N ATOM 640 CA GLY A 45 -14.944 -21.633 8.225 1.00 10.00 C ATOM 641 C GLY A 45 -13.952 -20.866 7.349 1.00 10.00 C ATOM 642 O GLY A 45 -13.280 -21.436 6.512 1.00 10.00 O ATOM 0 H GLY A 45 -15.314 -20.293 9.844 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.409 -22.303 8.898 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.589 -22.254 7.604 1.00 10.00 H new ATOM 646 N GLU A 46 -13.855 -19.578 7.531 1.00 10.00 N ATOM 647 CA GLU A 46 -12.904 -18.779 6.707 1.00 10.00 C ATOM 648 C GLU A 46 -11.522 -18.759 7.365 1.00 10.00 C ATOM 649 O GLU A 46 -11.325 -18.158 8.403 1.00 10.00 O ATOM 650 CB GLU A 46 -13.500 -17.372 6.664 1.00 10.00 C ATOM 651 CG GLU A 46 -12.799 -16.553 5.577 1.00 10.00 C ATOM 652 CD GLU A 46 -13.350 -16.949 4.205 1.00 10.00 C ATOM 653 OE1 GLU A 46 -13.615 -18.123 4.012 1.00 10.00 O ATOM 654 OE2 GLU A 46 -13.495 -16.070 3.371 1.00 10.00 O ATOM 0 H GLU A 46 -14.393 -19.044 8.214 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.773 -19.195 5.708 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.570 -17.425 6.461 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -13.383 -16.886 7.633 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -12.956 -15.488 5.750 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -11.723 -16.726 5.613 1.00 10.00 H new ATOM 661 N TYR A 47 -10.563 -19.415 6.770 1.00 10.00 N ATOM 662 CA TYR A 47 -9.194 -19.437 7.361 1.00 10.00 C ATOM 663 C TYR A 47 -8.797 -18.035 7.832 1.00 10.00 C ATOM 664 O TYR A 47 -8.639 -17.125 7.042 1.00 10.00 O ATOM 665 CB TYR A 47 -8.281 -19.904 6.225 1.00 10.00 C ATOM 666 CG TYR A 47 -8.297 -21.414 6.143 1.00 10.00 C ATOM 667 CD1 TYR A 47 -9.374 -22.138 6.673 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.234 -22.090 5.534 1.00 10.00 C ATOM 669 CE1 TYR A 47 -9.384 -23.536 6.594 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.245 -23.487 5.454 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.320 -24.210 5.984 1.00 10.00 C ATOM 672 OH TYR A 47 -8.331 -25.588 5.905 1.00 10.00 O ATOM 0 H TYR A 47 -10.668 -19.937 5.900 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.129 -20.091 8.231 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.614 -19.476 5.279 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.264 -19.551 6.395 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -10.196 -21.618 7.142 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.404 -21.533 5.125 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -10.213 -24.094 7.004 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.424 -24.007 4.983 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.519 -25.896 5.451 1.00 10.00 H new ATOM 682 N ILE A 48 -8.636 -17.857 9.116 1.00 10.00 N ATOM 683 CA ILE A 48 -8.251 -16.519 9.651 1.00 10.00 C ATOM 684 C ILE A 48 -7.204 -15.860 8.747 1.00 10.00 C ATOM 685 O ILE A 48 -7.490 -14.913 8.042 1.00 10.00 O ATOM 686 CB ILE A 48 -7.661 -16.804 11.032 1.00 10.00 C ATOM 687 CG1 ILE A 48 -8.779 -17.209 11.993 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.966 -15.546 11.560 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.210 -17.350 13.406 1.00 10.00 C ATOM 0 H ILE A 48 -8.755 -18.585 9.821 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.099 -15.836 9.698 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.937 -17.615 10.956 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.572 -16.461 11.982 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.225 -18.151 11.673 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.545 -15.749 12.545 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.167 -15.258 10.877 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -7.690 -14.735 11.635 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.006 -17.639 14.092 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.433 -18.114 13.411 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -7.785 -16.398 13.724 1.00 10.00 H new ATOM 701 N LEU A 49 -5.994 -16.355 8.766 1.00 10.00 N ATOM 702 CA LEU A 49 -4.928 -15.757 7.910 1.00 10.00 C ATOM 703 C LEU A 49 -5.491 -15.417 6.527 1.00 10.00 C ATOM 704 O LEU A 49 -5.143 -14.415 5.933 1.00 10.00 O ATOM 705 CB LEU A 49 -3.853 -16.843 7.806 1.00 10.00 C ATOM 706 CG LEU A 49 -2.949 -16.565 6.602 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.483 -16.644 7.034 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.217 -17.607 5.514 1.00 10.00 C ATOM 0 H LEU A 49 -5.698 -17.147 9.337 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.531 -14.830 8.325 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.259 -16.868 8.720 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.321 -17.822 7.703 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.159 -15.569 6.212 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.840 -16.446 6.177 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.292 -15.903 7.810 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.272 -17.640 7.424 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.574 -17.411 4.656 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.007 -18.603 5.904 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.261 -17.551 5.206 1.00 10.00 H new ATOM 720 N GLU A 50 -6.363 -16.239 6.012 1.00 10.00 N ATOM 721 CA GLU A 50 -6.951 -15.958 4.673 1.00 10.00 C ATOM 722 C GLU A 50 -8.023 -14.872 4.792 1.00 10.00 C ATOM 723 O GLU A 50 -7.999 -13.879 4.090 1.00 10.00 O ATOM 724 CB GLU A 50 -7.575 -17.282 4.226 1.00 10.00 C ATOM 725 CG GLU A 50 -7.274 -17.512 2.744 1.00 10.00 C ATOM 726 CD GLU A 50 -7.116 -19.012 2.483 1.00 50.00 C ATOM 727 OE1 GLU A 50 -7.407 -19.783 3.381 1.00 50.00 O ATOM 728 OE2 GLU A 50 -6.709 -19.362 1.388 1.00 50.00 O ATOM 0 H GLU A 50 -6.694 -17.093 6.461 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.208 -15.600 3.960 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.176 -18.104 4.821 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.652 -17.263 4.391 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -8.080 -17.108 2.131 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.363 -16.985 2.461 1.00 10.00 H new ATOM 735 N ALA A 51 -8.963 -15.051 5.679 1.00 10.00 N ATOM 736 CA ALA A 51 -10.033 -14.027 5.846 1.00 10.00 C ATOM 737 C ALA A 51 -9.408 -12.661 6.119 1.00 10.00 C ATOM 738 O ALA A 51 -9.855 -11.648 5.620 1.00 10.00 O ATOM 739 CB ALA A 51 -10.849 -14.499 7.050 1.00 12.50 C ATOM 0 H ALA A 51 -9.037 -15.861 6.295 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.652 -13.922 4.955 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.660 -13.795 7.239 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.265 -15.485 6.844 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.205 -14.554 7.927 1.00 12.50 H new ATOM 745 N ALA A 52 -8.375 -12.628 6.909 1.00 10.00 N ATOM 746 CA ALA A 52 -7.711 -11.330 7.220 1.00 10.00 C ATOM 747 C ALA A 52 -6.782 -10.922 6.073 1.00 10.00 C ATOM 748 O ALA A 52 -6.521 -9.754 5.859 1.00 10.00 O ATOM 749 CB ALA A 52 -6.912 -11.589 8.497 1.00 10.00 C ATOM 0 H ALA A 52 -7.959 -13.445 7.355 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.428 -10.519 7.348 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.392 -10.677 8.792 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.589 -11.895 9.294 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.184 -12.380 8.316 1.00 10.00 H new ATOM 755 N GLU A 53 -6.284 -11.873 5.332 1.00 10.00 N ATOM 756 CA GLU A 53 -5.374 -11.538 4.198 1.00 10.00 C ATOM 757 C GLU A 53 -6.126 -10.723 3.144 1.00 10.00 C ATOM 758 O GLU A 53 -5.557 -9.899 2.456 1.00 10.00 O ATOM 759 CB GLU A 53 -4.943 -12.888 3.620 1.00 10.00 C ATOM 760 CG GLU A 53 -3.584 -13.284 4.201 1.00 10.00 C ATOM 761 CD GLU A 53 -2.476 -12.896 3.218 1.00 10.00 C ATOM 762 OE1 GLU A 53 -2.539 -11.800 2.688 1.00 10.00 O ATOM 763 OE2 GLU A 53 -1.584 -13.703 3.015 1.00 10.00 O ATOM 0 H GLU A 53 -6.467 -12.868 5.462 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.520 -10.940 4.517 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -5.686 -13.650 3.855 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -4.882 -12.827 2.533 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -3.427 -12.786 5.158 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.557 -14.357 4.391 1.00 10.00 H new ATOM 770 N ALA A 54 -7.403 -10.949 3.013 1.00 10.00 N ATOM 771 CA ALA A 54 -8.197 -10.191 2.004 1.00 10.00 C ATOM 772 C ALA A 54 -8.462 -8.764 2.492 1.00 10.00 C ATOM 773 O ALA A 54 -8.824 -7.894 1.725 1.00 10.00 O ATOM 774 CB ALA A 54 -9.511 -10.963 1.874 1.00 50.00 C ATOM 0 H ALA A 54 -7.933 -11.627 3.561 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.674 -10.106 1.051 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.154 -10.467 1.147 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.304 -11.980 1.541 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.013 -10.993 2.841 1.00 50.00 H new ATOM 780 N GLN A 55 -8.290 -8.517 3.762 1.00 10.00 N ATOM 781 CA GLN A 55 -8.538 -7.144 4.293 1.00 10.00 C ATOM 782 C GLN A 55 -7.240 -6.333 4.309 1.00 10.00 C ATOM 783 O GLN A 55 -7.258 -5.118 4.298 1.00 10.00 O ATOM 784 CB GLN A 55 -9.058 -7.357 5.715 1.00 10.00 C ATOM 785 CG GLN A 55 -10.570 -7.597 5.675 1.00 10.00 C ATOM 786 CD GLN A 55 -11.250 -6.436 4.948 1.00 10.00 C ATOM 787 OE1 GLN A 55 -10.685 -5.367 4.823 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.448 -6.601 4.457 1.00 10.00 N ATOM 0 H GLN A 55 -7.989 -9.203 4.454 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.246 -6.588 3.679 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.556 -8.209 6.174 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.833 -6.486 6.330 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.787 -8.536 5.166 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.962 -7.686 6.688 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -12.923 -7.498 4.561 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.909 -5.833 3.969 1.00 10.00 H new ATOM 797 N GLY A 56 -6.114 -6.991 4.335 1.00 10.00 N ATOM 798 CA GLY A 56 -4.821 -6.251 4.349 1.00 10.00 C ATOM 799 C GLY A 56 -4.119 -6.466 5.691 1.00 10.00 C ATOM 800 O GLY A 56 -3.218 -5.735 6.055 1.00 10.00 O ATOM 0 H GLY A 56 -6.033 -8.008 4.347 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.184 -6.597 3.535 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -4.998 -5.188 4.186 1.00 10.00 H new ATOM 804 N TYR A 57 -4.519 -7.463 6.432 1.00 10.00 N ATOM 805 CA TYR A 57 -3.868 -7.721 7.749 1.00 10.00 C ATOM 806 C TYR A 57 -2.511 -8.399 7.539 1.00 10.00 C ATOM 807 O TYR A 57 -2.019 -8.489 6.431 1.00 10.00 O ATOM 808 CB TYR A 57 -4.828 -8.650 8.494 1.00 10.00 C ATOM 809 CG TYR A 57 -6.005 -7.857 9.010 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.807 -6.602 9.599 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.298 -8.379 8.899 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.902 -5.873 10.077 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.392 -7.651 9.376 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.195 -6.397 9.964 1.00 12.50 C ATOM 815 OH TYR A 57 -9.275 -5.676 10.433 1.00 12.50 O ATOM 0 H TYR A 57 -5.268 -8.110 6.183 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.682 -6.803 8.307 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.174 -9.441 7.829 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.311 -9.134 9.323 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.810 -6.197 9.684 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.451 -9.346 8.444 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.749 -4.906 10.533 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.389 -8.057 9.291 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.094 -5.373 11.347 1.00 12.50 H new ATOM 825 N ASP A 58 -1.902 -8.874 8.590 1.00 10.00 N ATOM 826 CA ASP A 58 -0.575 -9.541 8.441 1.00 10.00 C ATOM 827 C ASP A 58 -0.422 -10.666 9.468 1.00 10.00 C ATOM 828 O ASP A 58 -0.672 -10.486 10.644 1.00 10.00 O ATOM 829 CB ASP A 58 0.451 -8.438 8.699 1.00 10.00 C ATOM 830 CG ASP A 58 1.486 -8.431 7.573 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.645 -9.458 6.934 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.102 -7.398 7.368 1.00 10.00 O ATOM 0 H ASP A 58 -2.263 -8.830 9.543 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.452 -9.995 7.458 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -0.047 -7.470 8.756 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.942 -8.601 9.658 1.00 10.00 H new ATOM 837 N TRP A 59 -0.006 -11.824 9.034 1.00 10.00 N ATOM 838 CA TRP A 59 0.171 -12.960 9.983 1.00 10.00 C ATOM 839 C TRP A 59 1.447 -13.730 9.643 1.00 10.00 C ATOM 840 O TRP A 59 1.747 -13.954 8.487 1.00 10.00 O ATOM 841 CB TRP A 59 -1.056 -13.851 9.781 1.00 10.00 C ATOM 842 CG TRP A 59 -2.285 -13.003 9.744 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.645 -12.207 8.713 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.317 -12.852 10.760 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.831 -11.572 9.033 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.286 -11.938 10.284 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.505 -13.412 12.037 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.402 -11.592 11.046 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.628 -13.066 12.807 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.575 -12.158 12.312 1.00 50.00 C ATOM 0 H TRP A 59 0.219 -12.033 8.061 1.00 10.00 H new ATOM 0 HA TRP A 59 0.261 -12.622 11.015 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -0.961 -14.414 8.852 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.127 -14.579 10.589 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.096 -12.087 7.791 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.311 -10.914 8.420 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.781 -14.112 12.428 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.128 -10.891 10.660 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.763 -13.502 13.786 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.437 -11.896 12.908 1.00 50.00 H new ATOM 861 N PRO A 60 2.156 -14.117 10.666 1.00 10.00 N ATOM 862 CA PRO A 60 3.413 -14.876 10.474 1.00 10.00 C ATOM 863 C PRO A 60 3.103 -16.296 9.993 1.00 10.00 C ATOM 864 O PRO A 60 2.182 -16.934 10.463 1.00 10.00 O ATOM 865 CB PRO A 60 4.039 -14.893 11.865 1.00 10.00 C ATOM 866 CG PRO A 60 2.889 -14.716 12.806 1.00 10.00 C ATOM 867 CD PRO A 60 1.858 -13.887 12.085 1.00 10.00 C ATOM 0 HA PRO A 60 4.073 -14.437 9.725 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.562 -15.831 12.052 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.770 -14.093 11.979 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.475 -15.682 13.095 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.212 -14.220 13.722 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.845 -14.200 12.337 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.940 -12.832 12.345 1.00 10.00 H new ATOM 875 N PHE A 61 3.864 -16.793 9.059 1.00 10.00 N ATOM 876 CA PHE A 61 3.613 -18.170 8.549 1.00 10.00 C ATOM 877 C PHE A 61 4.801 -18.644 7.714 1.00 10.00 C ATOM 878 O PHE A 61 5.507 -17.857 7.114 1.00 10.00 O ATOM 879 CB PHE A 61 2.355 -18.059 7.686 1.00 10.00 C ATOM 880 CG PHE A 61 2.634 -17.185 6.486 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.472 -17.644 5.462 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.051 -15.916 6.397 1.00 10.00 C ATOM 883 CE1 PHE A 61 3.727 -16.834 4.349 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.306 -15.106 5.285 1.00 10.00 C ATOM 885 CZ PHE A 61 3.144 -15.564 4.261 1.00 10.00 C ATOM 0 H PHE A 61 4.649 -16.306 8.627 1.00 10.00 H new ATOM 0 HA PHE A 61 3.483 -18.891 9.356 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.038 -19.050 7.360 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.537 -17.639 8.271 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.922 -18.623 5.531 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.404 -15.562 7.186 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.373 -17.188 3.559 1.00 10.00 H new ATOM 0 HE2 PHE A 61 1.856 -14.127 5.216 1.00 10.00 H new ATOM 0 HZ PHE A 61 3.341 -14.938 3.403 1.00 10.00 H new ATOM 895 N SER A 62 5.030 -19.925 7.673 1.00 10.00 N ATOM 896 CA SER A 62 6.176 -20.452 6.882 1.00 10.00 C ATOM 897 C SER A 62 5.773 -21.742 6.165 1.00 10.00 C ATOM 898 O SER A 62 5.849 -21.843 4.956 1.00 10.00 O ATOM 899 CB SER A 62 7.270 -20.731 7.911 1.00 10.00 C ATOM 900 OG SER A 62 8.524 -20.830 7.253 1.00 10.00 O ATOM 0 H SER A 62 4.473 -20.631 8.153 1.00 10.00 H new ATOM 0 HA SER A 62 6.506 -19.752 6.115 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.298 -19.933 8.653 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.054 -21.656 8.446 1.00 10.00 H new ATOM 0 HG SER A 62 9.227 -21.007 7.913 1.00 10.00 H new ATOM 906 N CYS A 63 5.359 -22.732 6.904 1.00 10.00 N ATOM 907 CA CYS A 63 4.967 -24.024 6.274 1.00 10.00 C ATOM 908 C CYS A 63 3.625 -23.883 5.524 1.00 10.00 C ATOM 909 O CYS A 63 3.447 -24.427 4.452 1.00 10.00 O ATOM 910 CB CYS A 63 4.898 -25.012 7.453 1.00 10.00 C ATOM 911 SG CYS A 63 3.245 -25.044 8.190 1.00 10.00 S ATOM 0 H CYS A 63 5.275 -22.703 7.920 1.00 10.00 H new ATOM 0 HA CYS A 63 5.670 -24.366 5.515 1.00 10.00 H new ATOM 0 HB2 CYS A 63 5.164 -26.011 7.109 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.630 -24.730 8.210 1.00 10.00 H new ATOM 916 N ARG A 64 2.695 -23.140 6.065 1.00 10.00 N ATOM 917 CA ARG A 64 1.377 -22.938 5.371 1.00 10.00 C ATOM 918 C ARG A 64 0.652 -24.270 5.117 1.00 10.00 C ATOM 919 O ARG A 64 -0.088 -24.410 4.164 1.00 10.00 O ATOM 920 CB ARG A 64 1.732 -22.270 4.043 1.00 10.00 C ATOM 921 CG ARG A 64 1.182 -20.842 4.024 1.00 10.00 C ATOM 922 CD ARG A 64 2.171 -19.922 3.306 1.00 10.00 C ATOM 923 NE ARG A 64 2.200 -20.416 1.900 1.00 10.00 N ATOM 924 CZ ARG A 64 3.161 -20.046 1.098 1.00 10.00 C ATOM 925 NH1 ARG A 64 4.004 -20.929 0.636 1.00 10.00 N ATOM 926 NH2 ARG A 64 3.278 -18.791 0.757 1.00 10.00 N ATOM 0 H ARG A 64 2.787 -22.661 6.961 1.00 10.00 H new ATOM 0 HA ARG A 64 0.699 -22.339 5.979 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.814 -22.256 3.909 1.00 10.00 H new ATOM 0 HB3 ARG A 64 1.316 -22.842 3.214 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.216 -20.820 3.519 1.00 10.00 H new ATOM 0 HG3 ARG A 64 1.017 -20.491 5.043 1.00 10.00 H new ATOM 0 HD2 ARG A 64 1.849 -18.882 3.353 1.00 10.00 H new ATOM 0 HD3 ARG A 64 3.160 -19.971 3.763 1.00 10.00 H new ATOM 0 HE ARG A 64 1.469 -21.043 1.565 1.00 10.00 H new ATOM 0 HH11 ARG A 64 3.912 -21.910 0.902 1.00 10.00 H new ATOM 0 HH12 ARG A 64 4.755 -20.638 0.009 1.00 10.00 H new ATOM 0 HH21 ARG A 64 2.619 -18.101 1.117 1.00 10.00 H new ATOM 0 HH22 ARG A 64 4.029 -18.501 0.130 1.00 10.00 H new ATOM 940 N ALA A 65 0.849 -25.236 5.964 1.00 10.00 N ATOM 941 CA ALA A 65 0.169 -26.552 5.789 1.00 10.00 C ATOM 942 C ALA A 65 -0.324 -27.081 7.144 1.00 10.00 C ATOM 943 O ALA A 65 -0.864 -28.166 7.233 1.00 10.00 O ATOM 944 CB ALA A 65 1.241 -27.477 5.213 1.00 10.00 C ATOM 0 H ALA A 65 1.458 -25.173 6.780 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.703 -26.482 5.139 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.819 -28.469 5.055 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.594 -27.077 4.263 1.00 10.00 H new ATOM 0 HB3 ALA A 65 2.076 -27.545 5.911 1.00 10.00 H new ATOM 950 N GLY A 66 -0.140 -26.328 8.200 1.00 10.00 N ATOM 951 CA GLY A 66 -0.602 -26.798 9.541 1.00 10.00 C ATOM 952 C GLY A 66 0.414 -27.785 10.127 1.00 10.00 C ATOM 953 O GLY A 66 0.049 -28.766 10.745 1.00 10.00 O ATOM 0 H GLY A 66 0.308 -25.412 8.191 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.724 -25.948 10.212 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.577 -27.277 9.452 1.00 10.00 H new ATOM 957 N ALA A 67 1.685 -27.546 9.935 1.00 10.00 N ATOM 958 CA ALA A 67 2.708 -28.489 10.480 1.00 10.00 C ATOM 959 C ALA A 67 3.783 -27.749 11.294 1.00 10.00 C ATOM 960 O ALA A 67 4.747 -28.343 11.735 1.00 10.00 O ATOM 961 CB ALA A 67 3.333 -29.140 9.244 1.00 10.00 C ATOM 0 H ALA A 67 2.058 -26.744 9.428 1.00 10.00 H new ATOM 0 HA ALA A 67 2.261 -29.215 11.160 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.099 -29.851 9.555 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.561 -29.662 8.679 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.785 -28.371 8.617 1.00 10.00 H new ATOM 967 N CYS A 68 3.631 -26.469 11.514 1.00 10.00 N ATOM 968 CA CYS A 68 4.657 -25.731 12.315 1.00 10.00 C ATOM 969 C CYS A 68 3.974 -24.738 13.270 1.00 10.00 C ATOM 970 O CYS A 68 2.764 -24.690 13.363 1.00 10.00 O ATOM 971 CB CYS A 68 5.562 -25.029 11.282 1.00 10.00 C ATOM 972 SG CYS A 68 4.945 -23.372 10.878 1.00 10.00 S ATOM 0 H CYS A 68 2.850 -25.906 11.178 1.00 10.00 H new ATOM 0 HA CYS A 68 5.247 -26.392 12.950 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.576 -24.955 11.675 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.615 -25.630 10.374 1.00 10.00 H new ATOM 977 N ALA A 69 4.738 -23.960 13.995 1.00 10.00 N ATOM 978 CA ALA A 69 4.116 -22.996 14.953 1.00 10.00 C ATOM 979 C ALA A 69 4.541 -21.554 14.647 1.00 10.00 C ATOM 980 O ALA A 69 4.282 -20.648 15.414 1.00 10.00 O ATOM 981 CB ALA A 69 4.633 -23.425 16.328 1.00 25.00 C ATOM 0 H ALA A 69 5.758 -23.950 13.966 1.00 10.00 H new ATOM 0 HA ALA A 69 3.028 -23.011 14.892 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.222 -22.766 17.093 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.324 -24.451 16.529 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.721 -23.364 16.343 1.00 25.00 H new ATOM 987 N ASN A 70 5.187 -21.331 13.537 1.00 10.00 N ATOM 988 CA ASN A 70 5.615 -19.944 13.196 1.00 10.00 C ATOM 989 C ASN A 70 4.399 -19.013 13.161 1.00 10.00 C ATOM 990 O ASN A 70 4.461 -17.879 13.592 1.00 10.00 O ATOM 991 CB ASN A 70 6.250 -20.050 11.808 1.00 50.00 C ATOM 992 CG ASN A 70 7.724 -20.437 11.951 1.00 50.00 C ATOM 993 OD1 ASN A 70 8.048 -21.600 12.086 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.636 -19.504 11.929 1.00 50.00 N ATOM 0 H ASN A 70 5.437 -22.045 12.853 1.00 10.00 H new ATOM 0 HA ASN A 70 6.311 -19.535 13.929 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.723 -20.795 11.211 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.162 -19.099 11.282 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.621 -19.751 12.025 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.364 -18.528 11.816 1.00 50.00 H new ATOM 1001 N CYS A 71 3.291 -19.487 12.657 1.00 10.00 N ATOM 1002 CA CYS A 71 2.069 -18.632 12.600 1.00 10.00 C ATOM 1003 C CYS A 71 1.264 -18.783 13.897 1.00 10.00 C ATOM 1004 O CYS A 71 0.119 -18.387 13.984 1.00 10.00 O ATOM 1005 CB CYS A 71 1.276 -19.154 11.395 1.00 10.00 C ATOM 1006 SG CYS A 71 0.437 -20.703 11.825 1.00 10.00 S ATOM 0 H CYS A 71 3.179 -20.429 12.282 1.00 10.00 H new ATOM 0 HA CYS A 71 2.303 -17.572 12.497 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.544 -18.410 11.081 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.947 -19.317 10.551 1.00 10.00 H new ATOM 1011 N ALA A 72 1.857 -19.370 14.898 1.00 10.00 N ATOM 1012 CA ALA A 72 1.141 -19.571 16.190 1.00 10.00 C ATOM 1013 C ALA A 72 0.459 -18.281 16.658 1.00 10.00 C ATOM 1014 O ALA A 72 0.906 -17.183 16.380 1.00 10.00 O ATOM 1015 CB ALA A 72 2.228 -19.986 17.181 1.00 10.00 C ATOM 0 H ALA A 72 2.814 -19.722 14.877 1.00 10.00 H new ATOM 0 HA ALA A 72 0.351 -20.317 16.098 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.782 -20.154 18.161 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.703 -20.904 16.836 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.975 -19.196 17.253 1.00 10.00 H new ATOM 1021 N SER A 73 -0.617 -18.419 17.384 1.00 10.00 N ATOM 1022 CA SER A 73 -1.346 -17.227 17.903 1.00 10.00 C ATOM 1023 C SER A 73 -1.696 -17.451 19.375 1.00 10.00 C ATOM 1024 O SER A 73 -1.190 -18.355 20.007 1.00 10.00 O ATOM 1025 CB SER A 73 -2.616 -17.135 17.057 1.00 50.00 C ATOM 1026 OG SER A 73 -2.308 -16.541 15.804 1.00 50.00 O ATOM 0 H SER A 73 -1.026 -19.317 17.642 1.00 10.00 H new ATOM 0 HA SER A 73 -0.757 -16.312 17.840 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.038 -18.129 16.907 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.370 -16.543 17.577 1.00 50.00 H new ATOM 0 HG SER A 73 -2.960 -15.836 15.607 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.554 -16.642 19.926 1.00 10.00 N ATOM 1033 CA ILE A 74 -2.930 -16.823 21.358 1.00 10.00 C ATOM 1034 C ILE A 74 -4.397 -16.441 21.572 1.00 10.00 C ATOM 1035 O ILE A 74 -4.709 -15.345 21.992 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.003 -15.887 22.133 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.579 -16.447 22.110 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.483 -15.781 23.582 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.565 -17.831 22.766 1.00 10.00 C ATOM 0 H ILE A 74 -3.012 -15.864 19.450 1.00 10.00 H new ATOM 0 HA ILE A 74 -2.825 -17.857 21.687 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.014 -14.900 21.671 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.220 -16.516 21.083 1.00 10.00 H new ATOM 0 HG13 ILE A 74 0.096 -15.775 22.639 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -1.823 -15.114 24.136 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.498 -15.385 23.601 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.470 -16.769 24.043 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.449 -18.231 22.750 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -0.906 -17.748 23.798 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.228 -18.500 22.217 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.299 -17.343 21.286 1.00 10.00 N ATOM 1052 CA VAL A 75 -6.749 -17.035 21.473 1.00 10.00 C ATOM 1053 C VAL A 75 -6.998 -16.492 22.882 1.00 10.00 C ATOM 1054 O VAL A 75 -6.625 -17.101 23.866 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.465 -18.373 21.277 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.100 -19.324 22.418 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -8.977 -18.142 21.268 1.00 50.00 C ATOM 0 H VAL A 75 -5.096 -18.278 20.932 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.104 -16.276 20.775 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.157 -18.814 20.329 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.611 -20.276 22.276 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.022 -19.488 22.424 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.406 -18.886 23.368 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.490 -19.094 21.128 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.283 -17.700 22.216 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.237 -17.467 20.453 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.628 -15.353 22.992 1.00 10.00 N ATOM 1068 CA LYS A 76 -7.898 -14.783 24.341 1.00 10.00 C ATOM 1069 C LYS A 76 -9.232 -15.313 24.870 1.00 10.00 C ATOM 1070 O LYS A 76 -9.568 -15.139 26.025 1.00 10.00 O ATOM 1071 CB LYS A 76 -7.963 -13.270 24.131 1.00 25.00 C ATOM 1072 CG LYS A 76 -8.281 -12.584 25.460 1.00 25.00 C ATOM 1073 CD LYS A 76 -9.709 -12.035 25.423 1.00 50.00 C ATOM 1074 CE LYS A 76 -10.002 -11.288 26.725 1.00 50.00 C ATOM 1075 NZ LYS A 76 -11.078 -10.318 26.375 1.00 50.00 N ATOM 0 H LYS A 76 -7.966 -14.795 22.208 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.133 -15.055 25.069 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.013 -12.905 23.739 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.727 -13.027 23.392 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -8.174 -13.292 26.282 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.574 -11.775 25.642 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -9.831 -11.365 24.572 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -10.420 -12.850 25.291 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -10.326 -11.972 27.509 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.114 -10.776 27.096 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -11.323 -9.754 27.214 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -10.744 -9.687 25.619 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -11.919 -10.835 26.048 1.00 50.00 H new ATOM 1089 N GLU A 77 -9.995 -15.960 24.031 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.309 -16.505 24.481 1.00 10.00 C ATOM 1091 C GLU A 77 -12.116 -17.004 23.280 1.00 10.00 C ATOM 1092 O GLU A 77 -12.038 -16.459 22.197 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.022 -15.332 25.155 1.00 10.00 C ATOM 1094 CG GLU A 77 -12.320 -15.688 26.613 1.00 10.00 C ATOM 1095 CD GLU A 77 -12.113 -14.453 27.492 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -12.259 -13.354 26.982 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -11.811 -14.626 28.662 1.00 25.00 O ATOM 0 H GLU A 77 -9.765 -16.135 23.053 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.191 -17.351 25.158 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.400 -14.438 25.107 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -12.949 -15.104 24.628 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.344 -16.048 26.709 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -11.666 -16.496 26.942 1.00 10.00 H new ATOM 1104 N GLY A 78 -12.895 -18.036 23.464 1.00 10.00 N ATOM 1105 CA GLY A 78 -13.709 -18.568 22.334 1.00 10.00 C ATOM 1106 C GLY A 78 -13.184 -19.948 21.932 1.00 10.00 C ATOM 1107 O GLY A 78 -12.506 -20.610 22.694 1.00 10.00 O ATOM 0 H GLY A 78 -13.003 -18.533 24.348 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -14.757 -18.637 22.627 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -13.660 -17.887 21.484 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.489 -20.388 20.743 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.004 -21.726 20.298 1.00 10.00 C ATOM 1113 C GLU A 79 -12.692 -21.709 18.799 1.00 10.00 C ATOM 1114 O GLU A 79 -13.497 -21.289 17.989 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.157 -22.684 20.592 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.640 -24.124 20.568 1.00 25.00 C ATOM 1117 CD GLU A 79 -14.299 -24.921 21.696 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -15.498 -25.134 21.620 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -13.594 -25.304 22.615 1.00 50.00 O ATOM 0 H GLU A 79 -14.052 -19.881 20.061 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.087 -22.020 20.809 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.593 -22.458 21.565 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -14.947 -22.557 19.852 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -13.861 -24.585 19.605 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -12.556 -24.135 20.686 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.530 -22.167 18.424 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.165 -22.184 16.981 1.00 10.00 C ATOM 1128 C ILE A 80 -11.100 -23.628 16.476 1.00 10.00 C ATOM 1129 O ILE A 80 -10.662 -24.520 17.176 1.00 10.00 O ATOM 1130 CB ILE A 80 -9.787 -21.527 16.909 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -9.839 -20.155 17.584 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.379 -21.360 15.445 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.560 -19.936 18.395 1.00 50.00 C ATOM 0 H ILE A 80 -10.817 -22.531 19.056 1.00 10.00 H new ATOM 0 HA ILE A 80 -11.894 -21.660 16.363 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.058 -22.155 17.421 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -9.944 -19.372 16.833 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.711 -20.091 18.235 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.396 -20.891 15.392 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.341 -22.337 14.964 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.108 -20.732 14.933 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.597 -18.959 18.876 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.474 -20.712 19.156 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -7.696 -19.982 17.732 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.537 -23.867 15.271 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.503 -25.254 14.728 1.00 10.00 C ATOM 1147 C ASP A 81 -10.471 -25.360 13.603 1.00 10.00 C ATOM 1148 O ASP A 81 -10.167 -24.395 12.932 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.912 -25.505 14.191 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.681 -26.391 15.173 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.272 -27.523 15.364 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -14.667 -25.921 15.715 1.00 10.00 O ATOM 0 H ASP A 81 -11.916 -23.162 14.639 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.220 -25.985 15.485 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.434 -24.558 14.053 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.860 -25.986 13.214 1.00 10.00 H new ATOM 1157 N MET A 82 -9.932 -26.530 13.392 1.00 12.50 N ATOM 1158 CA MET A 82 -8.920 -26.701 12.311 1.00 12.50 C ATOM 1159 C MET A 82 -8.684 -28.191 12.042 1.00 12.50 C ATOM 1160 O MET A 82 -9.104 -29.042 12.801 1.00 12.50 O ATOM 1161 CB MET A 82 -7.649 -26.044 12.848 1.00 12.50 C ATOM 1162 CG MET A 82 -7.404 -26.504 14.286 1.00 12.50 C ATOM 1163 SD MET A 82 -5.654 -26.297 14.697 1.00 12.50 S ATOM 1164 CE MET A 82 -5.091 -27.917 14.118 1.00 50.00 C ATOM 0 H MET A 82 -10.149 -27.375 13.921 1.00 12.50 H new ATOM 0 HA MET A 82 -9.240 -26.254 11.370 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.798 -26.308 12.221 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.746 -24.959 12.814 1.00 12.50 H new ATOM 0 HG2 MET A 82 -8.021 -25.926 14.974 1.00 12.50 H new ATOM 0 HG3 MET A 82 -7.694 -27.549 14.399 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.125 -28.149 14.567 1.00 50.00 H new ATOM 0 HE2 MET A 82 -5.817 -28.678 14.405 1.00 50.00 H new ATOM 0 HE3 MET A 82 -4.992 -27.901 13.033 1.00 50.00 H new ATOM 1174 N ASP A 83 -8.017 -28.512 10.968 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.757 -29.947 10.653 1.00 50.00 C ATOM 1176 C ASP A 83 -6.921 -30.592 11.762 1.00 50.00 C ATOM 1177 O ASP A 83 -5.957 -30.024 12.234 1.00 50.00 O ATOM 1178 CB ASP A 83 -6.982 -29.929 9.336 1.00 50.00 C ATOM 1179 CG ASP A 83 -7.958 -29.748 8.172 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -8.466 -30.746 7.690 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -8.180 -28.613 7.782 1.00 50.00 O ATOM 0 H ASP A 83 -7.641 -27.844 10.295 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.678 -30.526 10.576 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -6.253 -29.119 9.342 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -6.425 -30.859 9.217 1.00 50.00 H new ATOM 1186 N MET A 84 -7.284 -31.773 12.181 1.00 50.00 N ATOM 1187 CA MET A 84 -6.511 -32.452 13.259 1.00 50.00 C ATOM 1188 C MET A 84 -5.067 -32.687 12.808 1.00 50.00 C ATOM 1189 O MET A 84 -4.743 -32.576 11.643 1.00 50.00 O ATOM 1190 CB MET A 84 -7.225 -33.786 13.481 1.00 50.00 C ATOM 1191 CG MET A 84 -8.552 -33.541 14.202 1.00 50.00 C ATOM 1192 SD MET A 84 -8.465 -34.224 15.876 1.00 50.00 S ATOM 1193 CE MET A 84 -7.129 -33.168 16.485 1.00 50.00 C ATOM 0 H MET A 84 -8.083 -32.297 11.823 1.00 50.00 H new ATOM 0 HA MET A 84 -6.467 -31.856 14.171 1.00 50.00 H new ATOM 0 HB2 MET A 84 -7.404 -34.278 12.525 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.596 -34.453 14.071 1.00 50.00 H new ATOM 0 HG2 MET A 84 -8.763 -32.472 14.244 1.00 50.00 H new ATOM 0 HG3 MET A 84 -9.369 -34.006 13.650 1.00 50.00 H new ATOM 0 HE1 MET A 84 -7.062 -33.256 17.569 1.00 50.00 H new ATOM 0 HE2 MET A 84 -6.186 -33.480 16.036 1.00 50.00 H new ATOM 0 HE3 MET A 84 -7.333 -32.131 16.217 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.197 -33.010 13.725 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.774 -33.253 13.352 1.00 16.66 C ATOM 1205 C GLN A 85 -1.958 -33.607 14.598 1.00 16.66 C ATOM 1206 O GLN A 85 -2.451 -34.225 15.519 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.292 -31.932 12.751 1.00 16.66 C ATOM 1208 CG GLN A 85 -1.526 -32.209 11.456 1.00 16.66 C ATOM 1209 CD GLN A 85 -1.539 -30.957 10.577 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.207 -29.991 10.886 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -0.822 -30.932 9.487 1.00 16.66 N ATOM 0 H GLN A 85 -4.410 -33.116 14.717 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.663 -34.082 12.653 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -3.142 -31.280 12.551 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -1.650 -31.410 13.461 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -0.499 -32.496 11.683 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -1.981 -33.045 10.924 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -0.261 -31.743 9.227 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -0.823 -30.101 8.895 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.713 -33.220 14.632 1.00 16.66 N ATOM 1221 CA GLN A 86 0.132 -33.536 15.819 1.00 16.66 C ATOM 1222 C GLN A 86 1.138 -32.409 16.065 1.00 16.66 C ATOM 1223 O GLN A 86 2.254 -32.641 16.485 1.00 16.66 O ATOM 1224 CB GLN A 86 0.854 -34.834 15.458 1.00 16.66 C ATOM 1225 CG GLN A 86 -0.093 -36.018 15.667 1.00 16.66 C ATOM 1226 CD GLN A 86 0.664 -37.325 15.420 1.00 50.00 C ATOM 1227 OE1 GLN A 86 1.152 -37.562 14.334 1.00 50.00 O ATOM 1228 NE2 GLN A 86 0.781 -38.189 16.391 1.00 50.00 N ATOM 0 H GLN A 86 -0.244 -32.699 13.891 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.457 -33.640 16.731 1.00 16.66 H new ATOM 0 HB2 GLN A 86 1.189 -34.801 14.421 1.00 16.66 H new ATOM 0 HB3 GLN A 86 1.744 -34.952 16.077 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -0.493 -36.003 16.681 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -0.942 -35.943 14.988 1.00 16.66 H new ATOM 0 HE21 GLN A 86 0.371 -37.990 17.303 1.00 50.00 H new ATOM 0 HE22 GLN A 86 1.283 -39.064 16.238 1.00 50.00 H new ATOM 1237 N ILE A 87 0.751 -31.188 15.808 1.00 12.50 N ATOM 1238 CA ILE A 87 1.686 -30.048 16.028 1.00 12.50 C ATOM 1239 C ILE A 87 1.537 -29.508 17.454 1.00 12.50 C ATOM 1240 O ILE A 87 2.443 -28.910 17.998 1.00 12.50 O ATOM 1241 CB ILE A 87 1.265 -28.987 15.011 1.00 50.00 C ATOM 1242 CG1 ILE A 87 2.083 -27.712 15.235 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -0.223 -28.676 15.187 1.00 50.00 C ATOM 1244 CD1 ILE A 87 3.562 -28.005 14.976 1.00 50.00 C ATOM 0 H ILE A 87 -0.171 -30.932 15.456 1.00 12.50 H new ATOM 0 HA ILE A 87 2.728 -30.342 15.905 1.00 12.50 H new ATOM 0 HB ILE A 87 1.442 -29.359 14.002 1.00 50.00 H new ATOM 0 HG12 ILE A 87 1.735 -26.922 14.569 1.00 50.00 H new ATOM 0 HG13 ILE A 87 1.945 -27.353 16.255 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -0.525 -27.920 14.463 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -0.806 -29.583 15.028 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -0.400 -28.303 16.196 1.00 50.00 H new ATOM 0 HD11 ILE A 87 4.146 -27.098 15.135 1.00 50.00 H new ATOM 0 HD12 ILE A 87 3.904 -28.782 15.660 1.00 50.00 H new ATOM 0 HD13 ILE A 87 3.691 -28.344 13.948 1.00 50.00 H new ATOM 1256 N LEU A 88 0.401 -29.714 18.061 1.00 12.50 N ATOM 1257 CA LEU A 88 0.196 -29.209 19.449 1.00 12.50 C ATOM 1258 C LEU A 88 -0.753 -30.134 20.216 1.00 12.50 C ATOM 1259 O LEU A 88 -1.310 -31.063 19.666 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.426 -27.824 19.277 1.00 12.50 C ATOM 1261 CG LEU A 88 -1.838 -27.965 18.708 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -2.835 -27.281 19.646 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.900 -27.305 17.329 1.00 12.50 C ATOM 0 H LEU A 88 -0.394 -30.210 17.657 1.00 12.50 H new ATOM 0 HA LEU A 88 1.126 -29.171 20.016 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.459 -27.307 20.236 1.00 12.50 H new ATOM 0 HB3 LEU A 88 0.187 -27.219 18.610 1.00 12.50 H new ATOM 0 HG LEU A 88 -2.090 -29.022 18.617 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -3.842 -27.381 19.242 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -2.791 -27.750 20.629 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -2.583 -26.224 19.737 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -2.906 -27.405 16.923 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -1.649 -26.248 17.420 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -1.189 -27.791 16.661 1.00 12.50 H new ATOM 1275 N SER A 89 -0.939 -29.888 21.485 1.00 12.50 N ATOM 1276 CA SER A 89 -1.851 -30.754 22.287 1.00 12.50 C ATOM 1277 C SER A 89 -3.042 -29.940 22.797 1.00 12.50 C ATOM 1278 O SER A 89 -2.974 -28.735 22.930 1.00 12.50 O ATOM 1279 CB SER A 89 -0.999 -31.249 23.457 1.00 12.50 C ATOM 1280 OG SER A 89 -0.013 -32.150 22.975 1.00 12.50 O ATOM 0 H SER A 89 -0.499 -29.126 22.001 1.00 12.50 H new ATOM 0 HA SER A 89 -2.258 -31.578 21.701 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.523 -30.405 23.957 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.629 -31.744 24.196 1.00 12.50 H new ATOM 0 HG SER A 89 0.535 -32.467 23.723 1.00 12.50 H new ATOM 1286 N ASP A 90 -4.137 -30.591 23.083 1.00 10.00 N ATOM 1287 CA ASP A 90 -5.333 -29.856 23.582 1.00 10.00 C ATOM 1288 C ASP A 90 -4.935 -28.896 24.707 1.00 10.00 C ATOM 1289 O ASP A 90 -5.452 -27.803 24.817 1.00 10.00 O ATOM 1290 CB ASP A 90 -6.275 -30.940 24.105 1.00 10.00 C ATOM 1291 CG ASP A 90 -7.336 -31.250 23.045 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -7.310 -30.609 22.006 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -8.153 -32.122 23.289 1.00 10.00 O ATOM 0 H ASP A 90 -4.254 -31.600 22.992 1.00 10.00 H new ATOM 0 HA ASP A 90 -5.801 -29.252 22.804 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -5.711 -31.842 24.345 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -6.753 -30.608 25.027 1.00 10.00 H new ATOM 1298 N GLU A 91 -4.017 -29.297 25.542 1.00 12.50 N ATOM 1299 CA GLU A 91 -3.583 -28.407 26.659 1.00 12.50 C ATOM 1300 C GLU A 91 -2.981 -27.115 26.104 1.00 12.50 C ATOM 1301 O GLU A 91 -3.159 -26.048 26.655 1.00 12.50 O ATOM 1302 CB GLU A 91 -2.530 -29.210 27.423 1.00 12.50 C ATOM 1303 CG GLU A 91 -3.223 -30.271 28.279 1.00 12.50 C ATOM 1304 CD GLU A 91 -3.405 -29.740 29.703 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -3.304 -28.537 29.881 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -3.643 -30.544 30.589 1.00 50.00 O ATOM 0 H GLU A 91 -3.548 -30.202 25.501 1.00 12.50 H new ATOM 0 HA GLU A 91 -4.414 -28.116 27.301 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -1.841 -29.684 26.724 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -1.938 -28.547 28.054 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -4.191 -30.526 27.848 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -2.630 -31.186 28.294 1.00 12.50 H new ATOM 1313 N GLU A 92 -2.271 -27.202 25.013 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.663 -25.975 24.424 1.00 10.00 C ATOM 1315 C GLU A 92 -2.762 -24.982 24.037 1.00 10.00 C ATOM 1316 O GLU A 92 -2.581 -23.782 24.104 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.916 -26.458 23.182 1.00 50.00 C ATOM 1318 CG GLU A 92 0.407 -25.702 23.057 1.00 50.00 C ATOM 1319 CD GLU A 92 1.355 -26.484 22.145 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.013 -27.598 21.784 1.00 50.00 O ATOM 1321 OE2 GLU A 92 2.406 -25.955 21.823 1.00 50.00 O ATOM 0 H GLU A 92 -2.086 -28.067 24.505 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.000 -25.464 25.122 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.730 -27.530 23.250 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.525 -26.296 22.292 1.00 50.00 H new ATOM 0 HG2 GLU A 92 0.232 -24.706 22.650 1.00 50.00 H new ATOM 0 HG3 GLU A 92 0.857 -25.570 24.041 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.900 -25.475 23.634 1.00 10.00 N ATOM 1329 CA VAL A 93 -5.012 -24.562 23.244 1.00 10.00 C ATOM 1330 C VAL A 93 -5.671 -23.975 24.494 1.00 10.00 C ATOM 1331 O VAL A 93 -6.072 -22.828 24.518 1.00 10.00 O ATOM 1332 CB VAL A 93 -6.000 -25.445 22.480 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -7.122 -24.579 21.906 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -5.270 -26.158 21.340 1.00 10.00 C ATOM 0 H VAL A 93 -4.109 -26.471 23.558 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.667 -23.722 22.641 1.00 10.00 H new ATOM 0 HB VAL A 93 -6.425 -26.185 23.158 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.826 -25.209 21.362 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -7.642 -24.072 22.719 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.699 -23.838 21.228 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -5.973 -26.788 20.795 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.844 -25.418 20.662 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -4.472 -26.777 21.750 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.782 -24.754 25.535 1.00 12.50 N ATOM 1345 CA GLU A 94 -6.412 -24.243 26.786 1.00 12.50 C ATOM 1346 C GLU A 94 -5.370 -23.525 27.645 1.00 12.50 C ATOM 1347 O GLU A 94 -5.676 -22.592 28.361 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.928 -25.489 27.505 1.00 12.50 C ATOM 1349 CG GLU A 94 -8.427 -25.651 27.242 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.733 -27.116 26.928 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -8.583 -27.936 27.819 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -9.111 -27.394 25.801 1.00 12.50 O ATOM 0 H GLU A 94 -5.464 -25.722 25.574 1.00 12.50 H new ATOM 0 HA GLU A 94 -7.209 -23.527 26.585 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -6.390 -26.371 27.157 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -6.744 -25.406 28.576 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.997 -25.328 28.113 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -8.732 -25.018 26.409 1.00 12.50 H new ATOM 1359 N GLU A 95 -4.140 -23.958 27.585 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.079 -23.305 28.404 1.00 12.50 C ATOM 1361 C GLU A 95 -2.286 -22.305 27.556 1.00 12.50 C ATOM 1362 O GLU A 95 -1.967 -21.219 27.997 1.00 12.50 O ATOM 1363 CB GLU A 95 -2.176 -24.452 28.859 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.924 -23.881 29.528 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.297 -23.288 30.889 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.360 -23.620 31.386 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.513 -22.512 31.409 1.00 50.00 O ATOM 0 H GLU A 95 -3.824 -24.735 27.005 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.492 -22.746 29.244 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -2.712 -25.096 29.556 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.896 -25.069 28.005 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -0.177 -24.664 29.653 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.478 -23.114 28.895 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.959 -22.665 26.345 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.177 -21.736 25.478 1.00 25.00 C ATOM 1376 C LYS A 96 -2.107 -20.951 24.547 1.00 25.00 C ATOM 1377 O LYS A 96 -1.683 -20.047 23.855 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.249 -22.639 24.666 1.00 25.00 C ATOM 1379 CG LYS A 96 1.207 -22.331 25.024 1.00 25.00 C ATOM 1380 CD LYS A 96 1.864 -23.583 25.610 1.00 25.00 C ATOM 1381 CE LYS A 96 3.116 -23.927 24.800 1.00 25.00 C ATOM 1382 NZ LYS A 96 4.052 -22.792 25.041 1.00 25.00 N ATOM 0 H LYS A 96 -2.198 -23.560 25.918 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.627 -21.000 26.064 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.471 -23.686 24.872 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.413 -22.482 23.600 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.749 -22.004 24.137 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.251 -21.514 25.744 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.128 -23.414 26.654 1.00 25.00 H new ATOM 0 HD3 LYS A 96 1.164 -24.418 25.590 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.550 -24.873 25.125 1.00 25.00 H new ATOM 0 HE3 LYS A 96 2.885 -24.030 23.740 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 5.033 -23.133 24.983 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 3.898 -22.056 24.322 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 3.879 -22.394 25.986 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.369 -21.285 24.520 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.308 -20.548 23.626 1.00 10.00 C ATOM 1398 C ASP A 97 -3.697 -20.412 22.231 1.00 10.00 C ATOM 1399 O ASP A 97 -4.014 -19.502 21.491 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.469 -19.168 24.266 1.00 50.00 C ATOM 1401 CG ASP A 97 -5.702 -19.163 25.170 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -6.501 -20.077 25.053 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -5.826 -18.247 25.966 1.00 50.00 O ATOM 0 H ASP A 97 -3.788 -22.031 25.074 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.263 -21.062 23.517 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.580 -18.919 24.845 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.570 -18.407 23.492 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.815 -21.301 21.870 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.176 -21.205 20.528 1.00 10.00 C ATOM 1410 C VAL A 98 -2.873 -22.127 19.525 1.00 10.00 C ATOM 1411 O VAL A 98 -3.313 -23.210 19.858 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.730 -21.648 20.746 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.690 -23.159 20.977 1.00 50.00 C ATOM 1414 CG2 VAL A 98 0.101 -21.300 19.509 1.00 50.00 C ATOM 0 H VAL A 98 -2.510 -22.087 22.443 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.241 -20.197 20.119 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.320 -21.136 21.616 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.341 -23.476 21.133 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -1.283 -23.408 21.857 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -1.100 -23.671 20.106 1.00 50.00 H new ATOM 0 HG21 VAL A 98 1.133 -21.616 19.663 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.309 -21.813 18.639 1.00 50.00 H new ATOM 0 HG23 VAL A 98 0.072 -20.223 19.342 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.965 -21.705 18.294 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.621 -22.547 17.254 1.00 10.00 C ATOM 1426 C ARG A 99 -2.948 -22.311 15.900 1.00 10.00 C ATOM 1427 O ARG A 99 -1.842 -21.810 15.828 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.076 -22.077 17.220 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.812 -22.600 18.456 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.115 -24.089 18.279 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.572 -24.219 18.557 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.126 -25.401 18.602 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -7.670 -26.363 17.848 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.133 -25.620 19.404 1.00 50.00 N ATOM 0 H ARG A 99 -2.612 -20.808 17.962 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.547 -23.613 17.471 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.117 -20.988 17.193 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.564 -22.436 16.314 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.203 -22.446 19.347 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -6.738 -22.045 18.603 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -5.874 -24.424 17.270 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -5.526 -24.696 18.966 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.138 -23.385 18.712 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -6.881 -26.192 17.224 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -8.102 -27.286 17.882 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -9.487 -24.868 19.995 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.566 -26.543 19.439 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.600 -22.659 14.826 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.986 -22.442 13.485 1.00 10.00 C ATOM 1450 C LEU A 100 -3.788 -21.398 12.700 1.00 10.00 C ATOM 1451 O LEU A 100 -4.937 -21.607 12.363 1.00 10.00 O ATOM 1452 CB LEU A 100 -3.048 -23.802 12.788 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.975 -24.730 13.371 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -0.621 -24.016 13.367 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -2.350 -25.106 14.806 1.00 10.00 C ATOM 0 H LEU A 100 -4.528 -23.083 14.818 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.963 -22.071 13.557 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.036 -24.244 12.919 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.893 -23.680 11.716 1.00 10.00 H new ATOM 0 HG LEU A 100 -1.909 -25.633 12.764 1.00 10.00 H new ATOM 0 HD11 LEU A 100 0.140 -24.677 13.782 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -0.353 -23.750 12.344 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.685 -23.112 13.972 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -1.588 -25.766 15.220 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -2.418 -24.203 15.413 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -3.312 -25.618 14.808 1.00 10.00 H new ATOM 1467 N THR A 101 -3.190 -20.275 12.410 1.00 10.00 N ATOM 1468 CA THR A 101 -3.916 -19.217 11.650 1.00 10.00 C ATOM 1469 C THR A 101 -3.876 -19.519 10.150 1.00 10.00 C ATOM 1470 O THR A 101 -4.730 -19.093 9.399 1.00 10.00 O ATOM 1471 CB THR A 101 -3.158 -17.924 11.955 1.00 10.00 C ATOM 1472 OG1 THR A 101 -1.772 -18.121 11.710 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.370 -17.539 13.420 1.00 10.00 C ATOM 0 H THR A 101 -2.230 -20.044 12.666 1.00 10.00 H new ATOM 0 HA THR A 101 -4.967 -19.153 11.932 1.00 10.00 H new ATOM 0 HB THR A 101 -3.530 -17.124 11.315 1.00 10.00 H new ATOM 0 HG1 THR A 101 -1.293 -18.171 12.563 1.00 10.00 H new ATOM 0 HG21 THR A 101 -2.829 -16.618 13.636 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.433 -17.388 13.606 1.00 10.00 H new ATOM 0 HG23 THR A 101 -2.999 -18.337 14.063 1.00 10.00 H new ATOM 1481 N CYS A 102 -2.890 -20.251 9.708 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.797 -20.577 8.257 1.00 10.00 C ATOM 1483 C CYS A 102 -3.789 -21.688 7.895 1.00 10.00 C ATOM 1484 O CYS A 102 -4.254 -21.778 6.775 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.357 -21.051 8.049 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.046 -22.508 9.077 1.00 10.00 S ATOM 0 H CYS A 102 -2.145 -20.637 10.289 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.040 -19.722 7.626 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.190 -21.291 6.999 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.660 -20.254 8.308 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.114 -22.536 8.833 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.074 -23.641 8.539 1.00 10.00 C ATOM 1493 C ILE A 103 -6.114 -23.756 9.657 1.00 10.00 C ATOM 1494 O ILE A 103 -6.568 -24.834 9.985 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.215 -24.905 8.476 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.557 -25.144 9.837 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.132 -24.733 7.408 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.672 -26.625 10.206 1.00 50.00 C ATOM 0 H ILE A 103 -3.758 -22.513 9.788 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.623 -23.472 7.613 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.843 -25.759 8.222 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.509 -24.847 9.803 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -4.038 -24.530 10.598 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.519 -25.633 7.363 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.601 -24.564 6.439 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.504 -23.879 7.661 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.204 -26.796 11.175 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -4.724 -26.907 10.257 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.171 -27.228 9.449 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.494 -22.657 10.250 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.500 -22.718 11.348 1.00 10.00 C ATOM 1512 C GLY A 104 -8.641 -21.738 11.065 1.00 10.00 C ATOM 1513 O GLY A 104 -8.456 -20.715 10.436 1.00 10.00 O ATOM 0 H GLY A 104 -6.153 -21.723 10.023 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.893 -23.731 11.437 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.028 -22.474 12.300 1.00 10.00 H new ATOM 1517 N SER A 105 -9.821 -22.042 11.534 1.00 10.00 N ATOM 1518 CA SER A 105 -10.980 -21.133 11.303 1.00 10.00 C ATOM 1519 C SER A 105 -11.773 -20.960 12.603 1.00 10.00 C ATOM 1520 O SER A 105 -11.807 -21.848 13.430 1.00 10.00 O ATOM 1521 CB SER A 105 -11.829 -21.831 10.240 1.00 10.00 C ATOM 1522 OG SER A 105 -11.667 -23.237 10.354 1.00 10.00 O ATOM 0 H SER A 105 -10.033 -22.884 12.069 1.00 10.00 H new ATOM 0 HA SER A 105 -10.672 -20.138 10.982 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.878 -21.564 10.364 1.00 10.00 H new ATOM 0 HB3 SER A 105 -11.531 -21.499 9.245 1.00 10.00 H new ATOM 0 HG SER A 105 -12.212 -23.685 9.674 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.382 -19.815 12.738 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.180 -19.515 13.951 1.00 10.00 C ATOM 1530 C PRO A 106 -14.491 -20.309 13.946 1.00 10.00 C ATOM 1531 O PRO A 106 -15.236 -20.288 12.987 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.453 -18.019 13.840 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.360 -17.717 12.377 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.386 -18.701 11.783 1.00 10.00 C ATOM 0 HA PRO A 106 -12.668 -19.784 14.875 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.438 -17.767 14.233 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.725 -17.441 14.410 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.337 -17.807 11.902 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.021 -16.694 12.216 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.701 -19.026 10.792 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.393 -18.264 11.675 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.777 -21.006 15.011 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.040 -21.798 15.066 1.00 10.00 C ATOM 1544 C ALA A 107 -17.038 -21.137 16.021 1.00 10.00 C ATOM 1545 O ALA A 107 -18.235 -21.299 15.894 1.00 10.00 O ATOM 1546 CB ALA A 107 -15.625 -23.172 15.591 1.00 50.00 C ATOM 0 H ALA A 107 -14.192 -21.062 15.845 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.528 -21.864 14.093 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.502 -23.815 15.660 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -14.901 -23.618 14.910 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.176 -23.064 16.578 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.552 -20.393 16.978 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.471 -19.724 17.942 1.00 10.00 C ATOM 1554 C ALA A 108 -17.868 -18.339 17.423 1.00 10.00 C ATOM 1555 O ALA A 108 -17.060 -17.617 16.873 1.00 10.00 O ATOM 1556 CB ALA A 108 -16.664 -19.600 19.234 1.00 50.00 C ATOM 0 H ALA A 108 -15.559 -20.220 17.133 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.395 -20.284 18.088 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.272 -19.115 19.998 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.373 -20.593 19.578 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -15.771 -19.003 19.049 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.105 -17.962 17.596 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.549 -16.623 17.113 1.00 50.00 C ATOM 1564 C ASP A 109 -18.588 -15.538 17.609 1.00 50.00 C ATOM 1565 O ASP A 109 -17.873 -14.931 16.839 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.940 -16.427 17.717 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.831 -15.691 16.714 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.489 -15.682 15.543 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.841 -15.151 17.135 1.00 50.00 O ATOM 0 H ASP A 109 -19.827 -18.522 18.050 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.565 -16.559 16.025 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.378 -17.393 17.969 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -20.869 -15.857 18.644 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.566 -15.295 18.891 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.648 -14.253 19.434 1.00 10.00 C ATOM 1576 C GLU A 110 -16.360 -14.906 19.943 1.00 10.00 C ATOM 1577 O GLU A 110 -16.386 -15.762 20.805 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.417 -13.611 20.588 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.571 -14.622 21.725 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.793 -14.257 22.570 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -20.193 -13.105 22.530 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -20.309 -15.136 23.241 1.00 50.00 O ATOM 0 H GLU A 110 -19.142 -15.771 19.585 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.359 -13.519 18.681 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -17.889 -12.726 20.943 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -19.398 -13.281 20.246 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -18.683 -15.627 21.319 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -17.675 -14.627 22.345 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.233 -14.513 19.415 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.949 -15.120 19.869 1.00 10.00 C ATOM 1591 C VAL A 111 -12.828 -14.076 19.856 1.00 10.00 C ATOM 1592 O VAL A 111 -12.799 -13.190 19.026 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.659 -16.228 18.857 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.201 -16.675 18.992 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.584 -17.417 19.126 1.00 12.50 C ATOM 0 H VAL A 111 -15.145 -13.800 18.691 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.012 -15.500 20.889 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.831 -15.853 17.848 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -11.994 -17.465 18.270 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.542 -15.828 18.802 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.027 -17.050 20.000 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.379 -18.208 18.405 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -14.411 -17.792 20.135 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.622 -17.099 19.030 1.00 12.50 H new ATOM 1605 N LYS A 112 -11.902 -14.179 20.772 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.780 -13.199 20.814 1.00 10.00 C ATOM 1607 C LYS A 112 -9.438 -13.930 20.692 1.00 10.00 C ATOM 1608 O LYS A 112 -9.267 -15.022 21.197 1.00 10.00 O ATOM 1609 CB LYS A 112 -10.901 -12.517 22.176 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.218 -11.740 22.239 1.00 25.00 C ATOM 1611 CD LYS A 112 -13.181 -12.443 23.197 1.00 25.00 C ATOM 1612 CE LYS A 112 -14.499 -12.731 22.475 1.00 25.00 C ATOM 1613 NZ LYS A 112 -15.037 -13.962 23.125 1.00 25.00 N ATOM 0 H LYS A 112 -11.875 -14.900 21.493 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.825 -12.480 19.996 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -10.866 -13.261 22.972 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.060 -11.842 22.333 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.034 -10.719 22.575 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.661 -11.673 21.245 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -12.740 -13.373 23.556 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -13.362 -11.818 24.071 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -15.194 -11.897 22.575 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -14.338 -12.886 21.408 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -16.069 -13.879 23.225 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -14.811 -14.791 22.539 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.606 -14.075 24.065 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.488 -13.337 20.023 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.159 -13.995 19.861 1.00 10.00 C ATOM 1629 C ILE A 113 -6.092 -12.962 19.498 1.00 10.00 C ATOM 1630 O ILE A 113 -6.383 -11.920 18.944 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.347 -14.996 18.722 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -5.996 -15.614 18.355 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.927 -14.276 17.502 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.223 -16.892 17.547 1.00 10.00 C ATOM 0 H ILE A 113 -8.574 -12.422 19.580 1.00 10.00 H new ATOM 0 HA ILE A 113 -6.827 -14.480 20.779 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.031 -15.783 19.040 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.405 -14.905 17.776 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.429 -15.838 19.259 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.062 -14.989 16.689 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.890 -13.837 17.763 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.243 -13.489 17.185 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.261 -17.333 17.285 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.797 -17.602 18.142 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.773 -16.654 16.636 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.857 -13.247 19.804 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.767 -12.287 19.474 1.00 10.00 C ATOM 1648 C VAL A 114 -2.954 -12.807 18.286 1.00 10.00 C ATOM 1649 O VAL A 114 -2.495 -13.934 18.283 1.00 10.00 O ATOM 1650 CB VAL A 114 -2.901 -12.224 20.732 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.748 -11.243 20.513 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.752 -11.754 21.912 1.00 50.00 C ATOM 0 H VAL A 114 -4.555 -14.104 20.268 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.148 -11.305 19.194 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.498 -13.214 20.944 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.132 -11.199 21.411 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.141 -11.577 19.672 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.149 -10.252 20.300 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.136 -11.709 22.810 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.155 -10.764 21.698 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.573 -12.454 22.070 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.777 -12.002 17.275 1.00 10.00 N ATOM 1663 CA TYR A 115 -1.998 -12.459 16.090 1.00 10.00 C ATOM 1664 C TYR A 115 -0.510 -12.137 16.280 1.00 10.00 C ATOM 1665 O TYR A 115 -0.148 -11.244 17.023 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.614 -11.705 14.895 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.837 -10.444 14.577 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.696 -9.437 15.539 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.260 -10.287 13.310 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.977 -8.276 15.236 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.542 -9.123 13.008 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.400 -8.119 13.971 1.00 50.00 C ATOM 1673 OH TYR A 115 0.308 -6.972 13.672 1.00 50.00 O ATOM 0 H TYR A 115 -3.137 -11.049 17.218 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.049 -13.537 15.936 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.628 -12.356 14.021 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.650 -11.449 15.119 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.142 -9.556 16.515 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.369 -11.063 12.567 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.867 -7.500 15.979 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.098 -9.001 12.031 1.00 50.00 H new ATOM 0 HH TYR A 115 -0.317 -6.253 13.442 1.00 50.00 H new ATOM 1683 N ASN A 116 0.352 -12.871 15.623 1.00 10.00 N ATOM 1684 CA ASN A 116 1.822 -12.632 15.761 1.00 10.00 C ATOM 1685 C ASN A 116 2.317 -13.149 17.114 1.00 10.00 C ATOM 1686 O ASN A 116 2.904 -12.419 17.889 1.00 10.00 O ATOM 1687 CB ASN A 116 2.008 -11.114 15.667 1.00 10.00 C ATOM 1688 CG ASN A 116 3.111 -10.795 14.657 1.00 10.00 C ATOM 1689 OD1 ASN A 116 4.051 -11.550 14.507 1.00 10.00 O ATOM 1690 ND2 ASN A 116 3.037 -9.699 13.953 1.00 10.00 N ATOM 0 H ASN A 116 0.099 -13.631 14.992 1.00 10.00 H new ATOM 0 HA ASN A 116 2.390 -13.153 14.990 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.074 -10.641 15.363 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.267 -10.708 16.645 1.00 10.00 H new ATOM 0 HD21 ASN A 116 3.768 -9.477 13.277 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.248 -9.065 14.078 1.00 10.00 H new ATOM 1697 N ALA A 117 2.089 -14.401 17.406 1.00 10.00 N ATOM 1698 CA ALA A 117 2.554 -14.954 18.713 1.00 10.00 C ATOM 1699 C ALA A 117 4.018 -15.388 18.613 1.00 10.00 C ATOM 1700 O ALA A 117 4.711 -15.492 19.604 1.00 10.00 O ATOM 1701 CB ALA A 117 1.654 -16.158 18.984 1.00 50.00 C ATOM 0 H ALA A 117 1.604 -15.063 16.800 1.00 10.00 H new ATOM 0 HA ALA A 117 2.495 -14.217 19.514 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.937 -16.618 19.931 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.615 -15.832 19.035 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.767 -16.885 18.180 1.00 50.00 H new HETATM 1707 OH ALY A 118 9.768 -13.826 12.865 1.00 0.00 O HETATM 1708 CH ALY A 118 8.952 -13.689 11.974 1.00 0.00 C HETATM 1709 CH3 ALY A 118 9.359 -13.148 10.602 1.00 0.00 C HETATM 1710 NZ ALY A 118 7.697 -13.995 12.152 1.00 50.00 N HETATM 1711 CE ALY A 118 7.422 -14.997 13.222 1.00 50.00 C HETATM 1712 CD ALY A 118 7.197 -14.168 14.488 1.00 12.50 C HETATM 1713 CG ALY A 118 5.935 -14.659 15.202 1.00 12.50 C HETATM 1714 CB ALY A 118 6.183 -16.060 15.768 1.00 12.50 C HETATM 1715 CA ALY A 118 5.918 -16.062 17.274 1.00 12.50 C HETATM 1716 N ALY A 118 4.496 -15.639 17.425 1.00 12.50 N HETATM 1717 C ALY A 118 6.834 -15.063 17.986 1.00 12.50 C HETATM 1718 O ALY A 118 7.963 -15.366 18.317 1.00 12.50 O HETATM 0 HH33 ALY A 118 9.777 -12.148 10.715 1.00 0.00 H new HETATM 0 HH32 ALY A 118 10.106 -13.806 10.159 1.00 0.00 H new HETATM 0 HH31 ALY A 118 8.484 -13.104 9.954 1.00 0.00 H new HETATM 0 HZ ALY A 118 6.952 -13.576 11.596 1.00 50.00 H new HETATM 0 HG3 ALY A 118 5.095 -14.679 14.507 1.00 12.50 H new HETATM 0 HG2 ALY A 118 5.668 -13.972 16.005 1.00 12.50 H new HETATM 0 HE3 ALY A 118 8.259 -15.685 13.344 1.00 50.00 H new HETATM 0 HE2 ALY A 118 6.546 -15.600 12.983 1.00 50.00 H new HETATM 0 HD3 ALY A 118 7.096 -13.113 14.232 1.00 12.50 H new HETATM 0 HD2 ALY A 118 8.059 -14.254 15.150 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.108 -17.042 17.712 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.210 -16.366 15.569 1.00 12.50 H new HETATM 0 HB2 ALY A 118 5.534 -16.783 15.274 1.00 12.50 H new HETATM 0 H ALY A 118 3.937 -15.424 16.599 1.00 12.50 H new ATOM 1732 N HIS A 119 6.351 -13.874 18.229 1.00 50.00 N ATOM 1733 CA HIS A 119 7.190 -12.857 18.922 1.00 50.00 C ATOM 1734 C HIS A 119 7.503 -13.317 20.349 1.00 50.00 C ATOM 1735 O HIS A 119 8.529 -12.983 20.908 1.00 50.00 O ATOM 1736 CB HIS A 119 6.334 -11.588 18.941 1.00 50.00 C ATOM 1737 CG HIS A 119 6.295 -10.989 17.562 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.449 -10.685 16.856 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.249 -10.632 16.744 1.00 50.00 C ATOM 1740 CE1 HIS A 119 7.074 -10.170 15.671 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.744 -10.115 15.551 1.00 50.00 N ATOM 0 H HIS A 119 5.412 -13.564 17.977 1.00 50.00 H new ATOM 0 HA HIS A 119 8.146 -12.696 18.423 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.324 -11.823 19.276 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.746 -10.869 19.650 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.407 -10.826 17.176 1.00 50.00 H new ATOM 0 HD2 HIS A 119 4.203 -10.737 16.990 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.764 -9.841 14.909 1.00 50.00 H new ATOM 1749 N LEU A 120 6.626 -14.083 20.942 1.00 12.50 N ATOM 1750 CA LEU A 120 6.875 -14.565 22.332 1.00 12.50 C ATOM 1751 C LEU A 120 8.304 -15.103 22.459 1.00 12.50 C ATOM 1752 O LEU A 120 8.719 -15.972 21.717 1.00 12.50 O ATOM 1753 CB LEU A 120 5.858 -15.685 22.551 1.00 12.50 C ATOM 1754 CG LEU A 120 5.244 -15.551 23.945 1.00 12.50 C ATOM 1755 CD1 LEU A 120 4.148 -16.605 24.124 1.00 12.50 C ATOM 1756 CD2 LEU A 120 6.330 -15.761 25.003 1.00 12.50 C ATOM 0 H LEU A 120 5.749 -14.395 20.525 1.00 12.50 H new ATOM 0 HA LEU A 120 6.770 -13.769 23.070 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.077 -15.635 21.792 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.342 -16.656 22.447 1.00 12.50 H new ATOM 0 HG LEU A 120 4.813 -14.556 24.058 1.00 12.50 H new ATOM 0 HD11 LEU A 120 3.710 -16.510 25.118 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.374 -16.457 23.371 1.00 12.50 H new ATOM 0 HD13 LEU A 120 4.578 -17.600 24.011 1.00 12.50 H new ATOM 0 HD21 LEU A 120 5.893 -15.666 25.997 1.00 12.50 H new ATOM 0 HD22 LEU A 120 6.761 -16.756 24.890 1.00 12.50 H new ATOM 0 HD23 LEU A 120 7.111 -15.011 24.877 1.00 12.50 H new ATOM 1768 N ASP A 121 9.059 -14.592 23.394 1.00 50.00 N ATOM 1769 CA ASP A 121 10.460 -15.074 23.568 1.00 50.00 C ATOM 1770 C ASP A 121 10.470 -16.564 23.919 1.00 50.00 C ATOM 1771 O ASP A 121 11.390 -17.284 23.582 1.00 50.00 O ATOM 1772 CB ASP A 121 11.021 -14.246 24.724 1.00 50.00 C ATOM 1773 CG ASP A 121 11.652 -12.966 24.175 1.00 50.00 C ATOM 1774 OD1 ASP A 121 11.445 -12.680 23.007 1.00 50.00 O ATOM 1775 OD2 ASP A 121 12.332 -12.291 24.931 1.00 50.00 O ATOM 0 H ASP A 121 8.767 -13.862 24.044 1.00 50.00 H new ATOM 0 HA ASP A 121 11.051 -14.960 22.659 1.00 50.00 H new ATOM 0 HB2 ASP A 121 10.226 -13.999 25.428 1.00 50.00 H new ATOM 0 HB3 ASP A 121 11.764 -14.824 25.272 1.00 50.00 H new ATOM 1780 N TYR A 122 9.456 -17.033 24.592 1.00 16.66 N ATOM 1781 CA TYR A 122 9.411 -18.477 24.961 1.00 16.66 C ATOM 1782 C TYR A 122 9.370 -19.344 23.700 1.00 16.66 C ATOM 1783 O TYR A 122 9.641 -20.528 23.739 1.00 16.66 O ATOM 1784 CB TYR A 122 8.124 -18.641 25.769 1.00 16.66 C ATOM 1785 CG TYR A 122 8.360 -19.619 26.895 1.00 16.66 C ATOM 1786 CD1 TYR A 122 9.259 -19.301 27.920 1.00 16.66 C ATOM 1787 CD2 TYR A 122 7.680 -20.843 26.914 1.00 16.66 C ATOM 1788 CE1 TYR A 122 9.479 -20.208 28.964 1.00 16.66 C ATOM 1789 CE2 TYR A 122 7.900 -21.750 27.958 1.00 16.66 C ATOM 1790 CZ TYR A 122 8.800 -21.432 28.983 1.00 16.66 C ATOM 1791 OH TYR A 122 9.019 -22.326 30.012 1.00 16.66 O ATOM 0 H TYR A 122 8.657 -16.480 24.902 1.00 16.66 H new ATOM 0 HA TYR A 122 10.289 -18.786 25.529 1.00 16.66 H new ATOM 0 HB2 TYR A 122 7.808 -17.678 26.169 1.00 16.66 H new ATOM 0 HB3 TYR A 122 7.320 -18.998 25.125 1.00 16.66 H new ATOM 0 HD1 TYR A 122 9.783 -18.357 27.906 1.00 16.66 H new ATOM 0 HD2 TYR A 122 6.986 -21.087 26.124 1.00 16.66 H new ATOM 0 HE1 TYR A 122 10.173 -19.963 29.755 1.00 16.66 H new ATOM 0 HE2 TYR A 122 7.376 -22.694 27.973 1.00 16.66 H new ATOM 0 HH TYR A 122 8.468 -23.125 29.874 1.00 16.66 H new ATOM 1801 N LEU A 123 9.034 -18.765 22.580 1.00 50.00 N ATOM 1802 CA LEU A 123 8.977 -19.558 21.319 1.00 50.00 C ATOM 1803 C LEU A 123 10.178 -19.225 20.430 1.00 50.00 C ATOM 1804 O LEU A 123 10.631 -20.041 19.652 1.00 50.00 O ATOM 1805 CB LEU A 123 7.670 -19.136 20.644 1.00 50.00 C ATOM 1806 CG LEU A 123 6.531 -20.031 21.136 1.00 50.00 C ATOM 1807 CD1 LEU A 123 5.204 -19.277 21.022 1.00 50.00 C ATOM 1808 CD2 LEU A 123 6.470 -21.299 20.283 1.00 50.00 C ATOM 0 H LEU A 123 8.797 -17.778 22.483 1.00 50.00 H new ATOM 0 HA LEU A 123 9.010 -20.632 21.503 1.00 50.00 H new ATOM 0 HB2 LEU A 123 7.451 -18.093 20.871 1.00 50.00 H new ATOM 0 HB3 LEU A 123 7.766 -19.213 19.561 1.00 50.00 H new ATOM 0 HG LEU A 123 6.708 -20.302 22.177 1.00 50.00 H new ATOM 0 HD11 LEU A 123 4.392 -19.914 21.372 1.00 50.00 H new ATOM 0 HD12 LEU A 123 5.245 -18.374 21.631 1.00 50.00 H new ATOM 0 HD13 LEU A 123 5.028 -19.005 19.981 1.00 50.00 H new ATOM 0 HD21 LEU A 123 5.658 -21.935 20.635 1.00 50.00 H new ATOM 0 HD22 LEU A 123 6.294 -21.029 19.242 1.00 50.00 H new ATOM 0 HD23 LEU A 123 7.414 -21.838 20.364 1.00 50.00 H new ATOM 1820 N GLN A 124 10.696 -18.032 20.539 1.00 50.00 N ATOM 1821 CA GLN A 124 11.868 -17.651 19.700 1.00 50.00 C ATOM 1822 C GLN A 124 13.062 -18.555 20.017 1.00 50.00 C ATOM 1823 O GLN A 124 13.942 -18.749 19.202 1.00 50.00 O ATOM 1824 CB GLN A 124 12.175 -16.204 20.086 1.00 50.00 C ATOM 1825 CG GLN A 124 12.758 -15.466 18.879 1.00 50.00 C ATOM 1826 CD GLN A 124 12.079 -14.103 18.738 1.00 50.00 C ATOM 1827 OE1 GLN A 124 10.993 -13.898 19.243 1.00 50.00 O ATOM 1828 NE2 GLN A 124 12.676 -13.155 18.070 1.00 50.00 N ATOM 0 H GLN A 124 10.359 -17.306 21.171 1.00 50.00 H new ATOM 0 HA GLN A 124 11.665 -17.756 18.634 1.00 50.00 H new ATOM 0 HB2 GLN A 124 11.267 -15.707 20.426 1.00 50.00 H new ATOM 0 HB3 GLN A 124 12.881 -16.180 20.916 1.00 50.00 H new ATOM 0 HG2 GLN A 124 13.833 -15.337 19.003 1.00 50.00 H new ATOM 0 HG3 GLN A 124 12.609 -16.054 17.973 1.00 50.00 H new ATOM 0 HE21 GLN A 124 13.588 -13.326 17.646 1.00 50.00 H new ATOM 0 HE22 GLN A 124 12.231 -12.242 17.972 1.00 50.00 H new ATOM 1837 N ASN A 125 13.099 -19.108 21.199 1.00 50.00 N ATOM 1838 CA ASN A 125 14.237 -19.997 21.572 1.00 50.00 C ATOM 1839 C ASN A 125 14.266 -21.235 20.670 1.00 50.00 C ATOM 1840 O ASN A 125 15.275 -21.901 20.547 1.00 50.00 O ATOM 1841 CB ASN A 125 13.963 -20.397 23.023 1.00 50.00 C ATOM 1842 CG ASN A 125 15.101 -21.283 23.531 1.00 50.00 C ATOM 1843 OD1 ASN A 125 16.238 -20.857 23.596 1.00 50.00 O ATOM 1844 ND2 ASN A 125 14.843 -22.509 23.897 1.00 50.00 N ATOM 0 H ASN A 125 12.391 -18.983 21.922 1.00 50.00 H new ATOM 0 HA ASN A 125 15.202 -19.502 21.457 1.00 50.00 H new ATOM 0 HB2 ASN A 125 13.875 -19.507 23.646 1.00 50.00 H new ATOM 0 HB3 ASN A 125 13.015 -20.930 23.092 1.00 50.00 H new ATOM 0 HD21 ASN A 125 15.595 -23.109 24.237 1.00 50.00 H new ATOM 0 HD22 ASN A 125 13.890 -22.867 23.843 1.00 50.00 H new ATOM 1851 N ARG A 126 13.167 -21.548 20.036 1.00 50.00 N ATOM 1852 CA ARG A 126 13.139 -22.743 19.143 1.00 50.00 C ATOM 1853 C ARG A 126 13.437 -22.330 17.699 1.00 50.00 C ATOM 1854 O ARG A 126 13.086 -23.019 16.762 1.00 50.00 O ATOM 1855 CB ARG A 126 11.719 -23.297 19.262 1.00 50.00 C ATOM 1856 CG ARG A 126 11.411 -23.606 20.728 1.00 50.00 C ATOM 1857 CD ARG A 126 11.336 -25.121 20.925 1.00 50.00 C ATOM 1858 NE ARG A 126 9.912 -25.390 21.272 1.00 50.00 N ATOM 1859 CZ ARG A 126 9.186 -26.153 20.501 1.00 50.00 C ATOM 1860 NH1 ARG A 126 9.097 -25.896 19.225 1.00 50.00 N ATOM 1861 NH2 ARG A 126 8.550 -27.174 21.007 1.00 50.00 N ATOM 0 H ARG A 126 12.291 -21.030 20.097 1.00 50.00 H new ATOM 0 HA ARG A 126 13.888 -23.484 19.422 1.00 50.00 H new ATOM 0 HB2 ARG A 126 11.002 -22.574 18.874 1.00 50.00 H new ATOM 0 HB3 ARG A 126 11.618 -24.200 18.660 1.00 50.00 H new ATOM 0 HG2 ARG A 126 12.184 -23.183 21.370 1.00 50.00 H new ATOM 0 HG3 ARG A 126 10.467 -23.144 21.018 1.00 50.00 H new ATOM 0 HD2 ARG A 126 11.630 -25.653 20.020 1.00 50.00 H new ATOM 0 HD3 ARG A 126 12.006 -25.450 21.720 1.00 50.00 H new ATOM 0 HE ARG A 126 9.505 -24.978 22.112 1.00 50.00 H new ATOM 0 HH11 ARG A 126 9.595 -25.098 18.829 1.00 50.00 H new ATOM 0 HH12 ARG A 126 8.530 -26.493 18.623 1.00 50.00 H new ATOM 0 HH21 ARG A 126 8.620 -27.375 22.004 1.00 50.00 H new ATOM 0 HH22 ARG A 126 7.982 -27.771 20.405 1.00 50.00 H new ATOM 1875 N VAL A 127 14.081 -21.211 17.513 1.00 50.00 N ATOM 1876 CA VAL A 127 14.401 -20.755 16.130 1.00 50.00 C ATOM 1877 C VAL A 127 15.530 -21.610 15.542 1.00 50.00 C ATOM 1878 O VAL A 127 16.444 -22.009 16.235 1.00 50.00 O ATOM 1879 CB VAL A 127 14.851 -19.302 16.285 1.00 50.00 C ATOM 1880 CG1 VAL A 127 16.153 -19.253 17.087 1.00 50.00 C ATOM 1881 CG2 VAL A 127 15.080 -18.687 14.903 1.00 50.00 C ATOM 0 H VAL A 127 14.400 -20.592 18.259 1.00 50.00 H new ATOM 0 HA VAL A 127 13.549 -20.846 15.456 1.00 50.00 H new ATOM 0 HB VAL A 127 14.080 -18.738 16.810 1.00 50.00 H new ATOM 0 HG11 VAL A 127 16.474 -18.217 17.197 1.00 50.00 H new ATOM 0 HG12 VAL A 127 15.990 -19.689 18.072 1.00 50.00 H new ATOM 0 HG13 VAL A 127 16.924 -19.818 16.563 1.00 50.00 H new ATOM 0 HG21 VAL A 127 15.401 -17.651 15.014 1.00 50.00 H new ATOM 0 HG22 VAL A 127 15.850 -19.251 14.377 1.00 50.00 H new ATOM 0 HG23 VAL A 127 14.152 -18.720 14.332 1.00 50.00 H new ATOM 1891 N ILE A 128 15.470 -21.895 14.270 1.00 50.00 N ATOM 1892 CA ILE A 128 16.536 -22.725 13.638 1.00 50.00 C ATOM 1893 C ILE A 128 16.733 -24.022 14.429 1.00 50.00 C ATOM 1894 O ILE A 128 15.995 -24.961 14.180 1.00 50.00 O ATOM 1895 CB ILE A 128 17.799 -21.865 13.699 1.00 50.00 C ATOM 1896 CG1 ILE A 128 17.470 -20.439 13.255 1.00 50.00 C ATOM 1897 CG2 ILE A 128 18.861 -22.457 12.769 1.00 50.00 C ATOM 1898 CD1 ILE A 128 16.898 -20.465 11.836 1.00 50.00 C ATOM 1899 OXT ILE A 128 17.619 -24.053 15.267 1.00 50.00 O ATOM 0 H ILE A 128 14.728 -21.589 13.640 1.00 50.00 H new ATOM 0 HA ILE A 128 16.286 -23.009 12.616 1.00 50.00 H new ATOM 0 HB ILE A 128 18.177 -21.847 14.721 1.00 50.00 H new ATOM 0 HG12 ILE A 128 16.751 -19.990 13.940 1.00 50.00 H new ATOM 0 HG13 ILE A 128 18.367 -19.821 13.285 1.00 50.00 H new ATOM 0 HG21 ILE A 128 19.763 -21.846 12.811 1.00 50.00 H new ATOM 0 HG22 ILE A 128 19.097 -23.473 13.086 1.00 50.00 H new ATOM 0 HG23 ILE A 128 18.481 -22.474 11.747 1.00 50.00 H new ATOM 0 HD11 ILE A 128 16.663 -19.449 11.520 1.00 50.00 H new ATOM 0 HD12 ILE A 128 17.632 -20.897 11.156 1.00 50.00 H new ATOM 0 HD13 ILE A 128 15.990 -21.068 11.821 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 3.051 -23.543 9.786 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.789 -22.207 10.257 1.00 0.00 FE HETATM 1914 S1 FES A 130 2.472 -21.548 8.916 1.00 0.00 S HETATM 1915 S2 FES A 130 1.409 -24.154 11.200 1.00 0.00 S