USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -0.136 X(o=0.00075,f=-0.0092) USER MOD Set 1.2: A 76 THR OG1 : rot 91:sc= 0.136 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00402 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=-0.24) USER MOD Single : A 12 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 19:sc= 0.372 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.024) USER MOD Single : A 42 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 44 GLN : amide:sc= -4.22! C(o=-4.2!,f=-8.7!) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0.277 (180deg=0.018) USER MOD Single : A 54 THR OG1 : rot 18:sc= 0.774 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0935) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= -0.0427 (180deg=-0.573) USER MOD Single : A 72 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.025) USER MOD Single : A 73 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.55) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 85 CYS SG : rot -122:sc= -1.53 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -3.64 K(o=-3.6,f=-5.7!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= -0.0134 (180deg=-0.224) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.7) USER MOD Single : A 104 ASN : amide:sc=-0.00927 X(o=-0.0093,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.258 X(o=-0.26,f=0.054) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.996 -6.457 26.024 1.00 0.00 N ATOM 2 CA GLY A 1 -18.722 -6.553 27.484 1.00 0.00 C ATOM 3 C GLY A 1 -17.294 -6.175 27.832 1.00 0.00 C ATOM 4 O GLY A 1 -17.047 -5.103 28.383 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.983 -6.725 25.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.836 -5.480 25.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.360 -7.099 25.509 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.409 -5.901 28.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.918 -7.571 27.821 1.00 0.00 H new ATOM 10 N SER A 2 -16.356 -7.059 27.510 1.00 0.00 N ATOM 11 CA SER A 2 -14.946 -6.813 27.793 1.00 0.00 C ATOM 12 C SER A 2 -14.393 -5.716 26.888 1.00 0.00 C ATOM 13 O SER A 2 -15.075 -5.246 25.977 1.00 0.00 O ATOM 14 CB SER A 2 -14.136 -8.098 27.609 1.00 0.00 C ATOM 15 OG SER A 2 -14.419 -8.706 26.361 1.00 0.00 O ATOM 0 H SER A 2 -16.546 -7.951 27.053 1.00 0.00 H new ATOM 0 HA SER A 2 -14.861 -6.483 28.828 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.072 -7.873 27.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.364 -8.794 28.416 1.00 0.00 H new ATOM 0 HG SER A 2 -13.887 -9.524 26.268 1.00 0.00 H new ATOM 21 N SER A 3 -13.154 -5.313 27.146 1.00 0.00 N ATOM 22 CA SER A 3 -12.509 -4.271 26.354 1.00 0.00 C ATOM 23 C SER A 3 -11.448 -4.865 25.433 1.00 0.00 C ATOM 24 O SER A 3 -10.915 -5.944 25.698 1.00 0.00 O ATOM 25 CB SER A 3 -11.875 -3.224 27.271 1.00 0.00 C ATOM 26 OG SER A 3 -12.647 -3.039 28.445 1.00 0.00 O ATOM 0 H SER A 3 -12.576 -5.691 27.897 1.00 0.00 H new ATOM 0 HA SER A 3 -13.272 -3.793 25.739 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.866 -3.536 27.541 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.784 -2.277 26.739 1.00 0.00 H new ATOM 0 HG SER A 3 -12.219 -2.366 29.015 1.00 0.00 H new ATOM 32 N GLY A 4 -11.148 -4.156 24.351 1.00 0.00 N ATOM 33 CA GLY A 4 -10.152 -4.629 23.406 1.00 0.00 C ATOM 34 C GLY A 4 -8.765 -4.098 23.710 1.00 0.00 C ATOM 35 O GLY A 4 -8.613 -3.136 24.463 1.00 0.00 O ATOM 0 H GLY A 4 -11.576 -3.262 24.111 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.131 -5.719 23.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.440 -4.328 22.399 1.00 0.00 H new ATOM 39 N SER A 5 -7.752 -4.728 23.125 1.00 0.00 N ATOM 40 CA SER A 5 -6.370 -4.313 23.337 1.00 0.00 C ATOM 41 C SER A 5 -5.461 -4.867 22.245 1.00 0.00 C ATOM 42 O SER A 5 -5.746 -5.910 21.658 1.00 0.00 O ATOM 43 CB SER A 5 -5.880 -4.779 24.710 1.00 0.00 C ATOM 44 OG SER A 5 -5.890 -6.194 24.801 1.00 0.00 O ATOM 0 H SER A 5 -7.862 -5.527 22.501 1.00 0.00 H new ATOM 0 HA SER A 5 -6.334 -3.224 23.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.870 -4.407 24.885 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.515 -4.357 25.489 1.00 0.00 H new ATOM 0 HG SER A 5 -5.571 -6.467 25.687 1.00 0.00 H new ATOM 50 N SER A 6 -4.368 -4.161 21.978 1.00 0.00 N ATOM 51 CA SER A 6 -3.417 -4.582 20.956 1.00 0.00 C ATOM 52 C SER A 6 -2.315 -5.447 21.560 1.00 0.00 C ATOM 53 O SER A 6 -1.639 -5.038 22.504 1.00 0.00 O ATOM 54 CB SER A 6 -2.803 -3.363 20.266 1.00 0.00 C ATOM 55 OG SER A 6 -3.778 -2.653 19.521 1.00 0.00 O ATOM 0 H SER A 6 -4.119 -3.295 22.455 1.00 0.00 H new ATOM 0 HA SER A 6 -3.956 -5.175 20.218 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.360 -2.704 21.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.998 -3.683 19.605 1.00 0.00 H new ATOM 0 HG SER A 6 -3.361 -1.878 19.091 1.00 0.00 H new ATOM 61 N GLY A 7 -2.141 -6.645 21.011 1.00 0.00 N ATOM 62 CA GLY A 7 -1.120 -7.548 21.508 1.00 0.00 C ATOM 63 C GLY A 7 0.165 -7.471 20.706 1.00 0.00 C ATOM 64 O GLY A 7 0.915 -8.444 20.628 1.00 0.00 O ATOM 0 H GLY A 7 -2.689 -7.006 20.230 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.908 -7.313 22.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.500 -8.569 21.483 1.00 0.00 H new ATOM 68 N VAL A 8 0.419 -6.311 20.109 1.00 0.00 N ATOM 69 CA VAL A 8 1.621 -6.111 19.309 1.00 0.00 C ATOM 70 C VAL A 8 2.106 -4.667 19.399 1.00 0.00 C ATOM 71 O VAL A 8 2.627 -4.114 18.429 1.00 0.00 O ATOM 72 CB VAL A 8 1.381 -6.470 17.830 1.00 0.00 C ATOM 73 CG1 VAL A 8 2.697 -6.518 17.068 1.00 0.00 C ATOM 74 CG2 VAL A 8 0.640 -7.793 17.713 1.00 0.00 C ATOM 0 H VAL A 8 -0.192 -5.496 20.164 1.00 0.00 H new ATOM 0 HA VAL A 8 2.384 -6.775 19.715 1.00 0.00 H new ATOM 0 HB VAL A 8 0.760 -5.692 17.385 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.505 -6.773 16.026 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.183 -5.544 17.119 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.347 -7.272 17.512 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.480 -8.029 16.661 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.231 -8.583 18.176 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.323 -7.717 18.218 1.00 0.00 H new ATOM 84 N GLU A 9 1.931 -4.062 20.568 1.00 0.00 N ATOM 85 CA GLU A 9 2.350 -2.682 20.785 1.00 0.00 C ATOM 86 C GLU A 9 3.156 -2.555 22.074 1.00 0.00 C ATOM 87 O GLU A 9 3.129 -1.517 22.736 1.00 0.00 O ATOM 88 CB GLU A 9 1.128 -1.759 20.834 1.00 0.00 C ATOM 89 CG GLU A 9 1.076 -0.760 19.690 1.00 0.00 C ATOM 90 CD GLU A 9 0.168 0.417 19.985 1.00 0.00 C ATOM 91 OE1 GLU A 9 -0.800 0.242 20.756 1.00 0.00 O ATOM 92 OE2 GLU A 9 0.425 1.515 19.449 1.00 0.00 O ATOM 0 H GLU A 9 1.502 -4.505 21.380 1.00 0.00 H new ATOM 0 HA GLU A 9 2.987 -2.384 19.952 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.223 -2.366 20.817 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.130 -1.217 21.780 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.082 -0.395 19.485 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.730 -1.264 18.788 1.00 0.00 H new ATOM 99 N HIS A 10 3.873 -3.618 22.425 1.00 0.00 N ATOM 100 CA HIS A 10 4.687 -3.625 23.635 1.00 0.00 C ATOM 101 C HIS A 10 6.117 -4.059 23.326 1.00 0.00 C ATOM 102 O HIS A 10 6.360 -5.203 22.941 1.00 0.00 O ATOM 103 CB HIS A 10 4.075 -4.557 24.682 1.00 0.00 C ATOM 104 CG HIS A 10 4.573 -4.305 26.072 1.00 0.00 C ATOM 105 ND1 HIS A 10 5.469 -3.312 26.398 1.00 0.00 N ATOM 106 CD2 HIS A 10 4.281 -4.943 27.233 1.00 0.00 C ATOM 107 CE1 HIS A 10 5.690 -3.375 27.717 1.00 0.00 C ATOM 108 NE2 HIS A 10 4.992 -4.347 28.272 1.00 0.00 N ATOM 0 H HIS A 10 3.907 -4.485 21.889 1.00 0.00 H new ATOM 0 HA HIS A 10 4.711 -2.610 24.032 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.991 -4.445 24.667 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.292 -5.590 24.409 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.605 -5.779 27.335 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.354 -2.716 28.257 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.976 -4.608 29.258 1.00 0.00 H new ATOM 116 N GLU A 11 7.060 -3.137 23.497 1.00 0.00 N ATOM 117 CA GLU A 11 8.465 -3.424 23.236 1.00 0.00 C ATOM 118 C GLU A 11 9.089 -4.190 24.399 1.00 0.00 C ATOM 119 O GLU A 11 9.437 -3.606 25.425 1.00 0.00 O ATOM 120 CB GLU A 11 9.236 -2.125 22.994 1.00 0.00 C ATOM 121 CG GLU A 11 9.176 -1.642 21.554 1.00 0.00 C ATOM 122 CD GLU A 11 10.430 -1.979 20.773 1.00 0.00 C ATOM 123 OE1 GLU A 11 10.711 -3.182 20.591 1.00 0.00 O ATOM 124 OE2 GLU A 11 11.131 -1.040 20.342 1.00 0.00 O ATOM 0 H GLU A 11 6.876 -2.186 23.815 1.00 0.00 H new ATOM 0 HA GLU A 11 8.523 -4.045 22.342 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.837 -1.348 23.646 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.278 -2.273 23.276 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.314 -2.090 21.060 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.025 -0.563 21.543 1.00 0.00 H new ATOM 131 N GLN A 12 9.226 -5.501 24.232 1.00 0.00 N ATOM 132 CA GLN A 12 9.807 -6.347 25.269 1.00 0.00 C ATOM 133 C GLN A 12 10.812 -7.327 24.671 1.00 0.00 C ATOM 134 O GLN A 12 10.987 -7.388 23.454 1.00 0.00 O ATOM 135 CB GLN A 12 8.708 -7.112 26.007 1.00 0.00 C ATOM 136 CG GLN A 12 8.932 -7.200 27.508 1.00 0.00 C ATOM 137 CD GLN A 12 7.653 -7.013 28.301 1.00 0.00 C ATOM 138 OE1 GLN A 12 6.554 -7.222 27.786 1.00 0.00 O ATOM 139 NE2 GLN A 12 7.790 -6.618 29.561 1.00 0.00 N ATOM 0 H GLN A 12 8.943 -6.001 23.389 1.00 0.00 H new ATOM 0 HA GLN A 12 10.330 -5.704 25.977 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.750 -6.627 25.819 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.641 -8.120 25.598 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.367 -8.170 27.750 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.655 -6.442 27.809 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.720 -6.457 29.947 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.965 -6.476 30.144 1.00 0.00 H new ATOM 148 N GLN A 13 11.470 -8.092 25.536 1.00 0.00 N ATOM 149 CA GLN A 13 12.457 -9.071 25.094 1.00 0.00 C ATOM 150 C GLN A 13 12.544 -10.236 26.074 1.00 0.00 C ATOM 151 O GLN A 13 12.850 -10.049 27.251 1.00 0.00 O ATOM 152 CB GLN A 13 13.829 -8.411 24.946 1.00 0.00 C ATOM 153 CG GLN A 13 14.696 -9.046 23.871 1.00 0.00 C ATOM 154 CD GLN A 13 16.176 -8.973 24.199 1.00 0.00 C ATOM 155 OE1 GLN A 13 16.907 -8.152 23.644 1.00 0.00 O ATOM 156 NE2 GLN A 13 16.625 -9.837 25.102 1.00 0.00 N ATOM 0 H GLN A 13 11.338 -8.053 26.547 1.00 0.00 H new ATOM 0 HA GLN A 13 12.140 -9.457 24.125 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.692 -7.355 24.714 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.353 -8.462 25.901 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.406 -10.089 23.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.513 -8.547 22.919 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.983 -10.500 25.537 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.612 -9.838 25.361 1.00 0.00 H new ATOM 165 N VAL A 14 12.272 -11.440 25.579 1.00 0.00 N ATOM 166 CA VAL A 14 12.320 -12.635 26.412 1.00 0.00 C ATOM 167 C VAL A 14 13.613 -13.410 26.187 1.00 0.00 C ATOM 168 O VAL A 14 13.956 -13.750 25.055 1.00 0.00 O ATOM 169 CB VAL A 14 11.123 -13.564 26.132 1.00 0.00 C ATOM 170 CG1 VAL A 14 11.103 -14.725 27.115 1.00 0.00 C ATOM 171 CG2 VAL A 14 9.816 -12.787 26.191 1.00 0.00 C ATOM 0 H VAL A 14 12.017 -11.613 24.607 1.00 0.00 H new ATOM 0 HA VAL A 14 12.276 -12.300 27.448 1.00 0.00 H new ATOM 0 HB VAL A 14 11.233 -13.970 25.127 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.250 -15.369 26.900 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.025 -15.299 27.019 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.020 -14.340 28.131 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.983 -13.461 25.991 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.698 -12.348 27.182 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.830 -11.994 25.443 1.00 0.00 H new ATOM 181 N THR A 15 14.330 -13.685 27.273 1.00 0.00 N ATOM 182 CA THR A 15 15.587 -14.419 27.194 1.00 0.00 C ATOM 183 C THR A 15 15.334 -15.913 27.013 1.00 0.00 C ATOM 184 O THR A 15 16.089 -16.601 26.327 1.00 0.00 O ATOM 185 CB THR A 15 16.420 -14.180 28.453 1.00 0.00 C ATOM 186 OG1 THR A 15 17.552 -15.033 28.475 1.00 0.00 O ATOM 187 CG2 THR A 15 15.649 -14.410 29.735 1.00 0.00 C ATOM 0 H THR A 15 14.061 -13.410 28.218 1.00 0.00 H new ATOM 0 HA THR A 15 16.138 -14.055 26.327 1.00 0.00 H new ATOM 0 HB THR A 15 16.715 -13.132 28.408 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.073 -14.864 29.287 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.300 -14.223 30.589 1.00 0.00 H new ATOM 0 HG22 THR A 15 14.796 -13.732 29.773 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.295 -15.441 29.767 1.00 0.00 H new ATOM 195 N GLU A 16 14.266 -16.406 27.632 1.00 0.00 N ATOM 196 CA GLU A 16 13.914 -17.818 27.539 1.00 0.00 C ATOM 197 C GLU A 16 13.082 -18.090 26.290 1.00 0.00 C ATOM 198 O GLU A 16 11.856 -17.978 26.312 1.00 0.00 O ATOM 199 CB GLU A 16 13.143 -18.256 28.785 1.00 0.00 C ATOM 200 CG GLU A 16 13.191 -19.755 29.036 1.00 0.00 C ATOM 201 CD GLU A 16 12.076 -20.230 29.946 1.00 0.00 C ATOM 202 OE1 GLU A 16 11.667 -19.457 30.837 1.00 0.00 O ATOM 203 OE2 GLU A 16 11.613 -21.376 29.769 1.00 0.00 O ATOM 0 H GLU A 16 13.630 -15.849 28.203 1.00 0.00 H new ATOM 0 HA GLU A 16 14.837 -18.393 27.471 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.549 -17.738 29.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.103 -17.946 28.686 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.127 -20.281 28.084 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.152 -20.015 29.479 1.00 0.00 H new ATOM 210 N SER A 17 13.757 -18.446 25.202 1.00 0.00 N ATOM 211 CA SER A 17 13.080 -18.732 23.942 1.00 0.00 C ATOM 212 C SER A 17 13.719 -19.930 23.241 1.00 0.00 C ATOM 213 O SER A 17 14.802 -19.814 22.667 1.00 0.00 O ATOM 214 CB SER A 17 13.127 -17.508 23.026 1.00 0.00 C ATOM 215 OG SER A 17 12.862 -16.319 23.749 1.00 0.00 O ATOM 0 H SER A 17 14.772 -18.543 25.167 1.00 0.00 H new ATOM 0 HA SER A 17 12.040 -18.974 24.163 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.108 -17.440 22.555 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.396 -17.621 22.225 1.00 0.00 H new ATOM 0 HG SER A 17 12.899 -15.551 23.141 1.00 0.00 H new ATOM 221 N PRO A 18 13.059 -21.103 23.276 1.00 0.00 N ATOM 222 CA PRO A 18 13.578 -22.316 22.636 1.00 0.00 C ATOM 223 C PRO A 18 13.585 -22.211 21.115 1.00 0.00 C ATOM 224 O PRO A 18 12.599 -21.796 20.508 1.00 0.00 O ATOM 225 CB PRO A 18 12.606 -23.408 23.092 1.00 0.00 C ATOM 226 CG PRO A 18 11.345 -22.684 23.411 1.00 0.00 C ATOM 227 CD PRO A 18 11.761 -21.339 23.936 1.00 0.00 C ATOM 0 HA PRO A 18 14.614 -22.509 22.913 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.449 -24.150 22.309 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.988 -23.940 23.963 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.720 -22.580 22.524 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.760 -23.228 24.152 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.035 -20.566 23.683 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.857 -21.343 25.022 1.00 0.00 H new ATOM 235 N SER A 19 14.705 -22.589 20.507 1.00 0.00 N ATOM 236 CA SER A 19 14.842 -22.536 19.056 1.00 0.00 C ATOM 237 C SER A 19 14.568 -23.899 18.430 1.00 0.00 C ATOM 238 O SER A 19 15.220 -24.292 17.463 1.00 0.00 O ATOM 239 CB SER A 19 16.244 -22.058 18.673 1.00 0.00 C ATOM 240 OG SER A 19 16.215 -21.293 17.479 1.00 0.00 O ATOM 0 H SER A 19 15.530 -22.935 20.996 1.00 0.00 H new ATOM 0 HA SER A 19 14.106 -21.829 18.674 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.661 -21.459 19.482 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.901 -22.918 18.542 1.00 0.00 H new ATOM 0 HG SER A 19 17.123 -20.998 17.257 1.00 0.00 H new ATOM 246 N LEU A 20 13.600 -24.618 18.989 1.00 0.00 N ATOM 247 CA LEU A 20 13.240 -25.938 18.484 1.00 0.00 C ATOM 248 C LEU A 20 12.082 -25.844 17.493 1.00 0.00 C ATOM 249 O LEU A 20 12.120 -26.447 16.421 1.00 0.00 O ATOM 250 CB LEU A 20 12.866 -26.867 19.643 1.00 0.00 C ATOM 251 CG LEU A 20 13.567 -28.227 19.634 1.00 0.00 C ATOM 252 CD1 LEU A 20 13.512 -28.863 21.014 1.00 0.00 C ATOM 253 CD2 LEU A 20 12.938 -29.144 18.596 1.00 0.00 C ATOM 0 H LEU A 20 13.051 -24.309 19.791 1.00 0.00 H new ATOM 0 HA LEU A 20 14.105 -26.350 17.964 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.096 -26.363 20.582 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.788 -27.030 19.625 1.00 0.00 H new ATOM 0 HG LEU A 20 14.613 -28.075 19.368 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.015 -29.830 20.989 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.009 -28.213 21.734 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.472 -29.003 21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.449 -30.107 18.604 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.884 -29.291 18.831 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.030 -28.692 17.608 1.00 0.00 H new ATOM 265 N ALA A 21 11.056 -25.084 17.861 1.00 0.00 N ATOM 266 CA ALA A 21 9.889 -24.911 17.005 1.00 0.00 C ATOM 267 C ALA A 21 10.059 -23.709 16.082 1.00 0.00 C ATOM 268 O ALA A 21 10.059 -22.564 16.532 1.00 0.00 O ATOM 269 CB ALA A 21 8.634 -24.755 17.850 1.00 0.00 C ATOM 0 H ALA A 21 11.009 -24.579 18.746 1.00 0.00 H new ATOM 0 HA ALA A 21 9.789 -25.802 16.385 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.770 -24.627 17.198 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.496 -25.645 18.464 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.735 -23.882 18.494 1.00 0.00 H new ATOM 275 N SER A 22 10.203 -23.979 14.789 1.00 0.00 N ATOM 276 CA SER A 22 10.373 -22.919 13.802 1.00 0.00 C ATOM 277 C SER A 22 9.851 -23.356 12.437 1.00 0.00 C ATOM 278 O SER A 22 9.607 -24.539 12.204 1.00 0.00 O ATOM 279 CB SER A 22 11.848 -22.525 13.695 1.00 0.00 C ATOM 280 OG SER A 22 12.206 -21.605 14.712 1.00 0.00 O ATOM 0 H SER A 22 10.205 -24.922 14.400 1.00 0.00 H new ATOM 0 HA SER A 22 9.796 -22.055 14.131 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.472 -23.416 13.770 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.040 -22.083 12.717 1.00 0.00 H new ATOM 0 HG SER A 22 11.543 -21.640 15.433 1.00 0.00 H new ATOM 286 N VAL A 23 9.682 -22.391 11.538 1.00 0.00 N ATOM 287 CA VAL A 23 9.189 -22.674 10.196 1.00 0.00 C ATOM 288 C VAL A 23 10.067 -22.007 9.138 1.00 0.00 C ATOM 289 O VAL A 23 10.499 -20.868 9.310 1.00 0.00 O ATOM 290 CB VAL A 23 7.737 -22.189 10.022 1.00 0.00 C ATOM 291 CG1 VAL A 23 7.175 -22.644 8.684 1.00 0.00 C ATOM 292 CG2 VAL A 23 6.869 -22.683 11.169 1.00 0.00 C ATOM 0 H VAL A 23 9.880 -21.406 11.716 1.00 0.00 H new ATOM 0 HA VAL A 23 9.223 -23.755 10.064 1.00 0.00 H new ATOM 0 HB VAL A 23 7.734 -21.099 10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.149 -22.291 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.782 -22.235 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.191 -23.733 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.847 -22.331 11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.878 -23.773 11.189 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.259 -22.300 12.112 1.00 0.00 H new ATOM 302 N PRO A 24 10.347 -22.710 8.023 1.00 0.00 N ATOM 303 CA PRO A 24 11.179 -22.172 6.942 1.00 0.00 C ATOM 304 C PRO A 24 10.763 -20.762 6.534 1.00 0.00 C ATOM 305 O PRO A 24 9.828 -20.581 5.756 1.00 0.00 O ATOM 306 CB PRO A 24 10.940 -23.154 5.796 1.00 0.00 C ATOM 307 CG PRO A 24 10.615 -24.442 6.470 1.00 0.00 C ATOM 308 CD PRO A 24 9.876 -24.078 7.729 1.00 0.00 C ATOM 0 HA PRO A 24 12.225 -22.082 7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.123 -22.824 5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.823 -23.249 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.003 -25.075 5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.522 -25.002 6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.796 -24.108 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.107 -24.765 8.543 1.00 0.00 H new ATOM 316 N THR A 25 11.466 -19.768 7.069 1.00 0.00 N ATOM 317 CA THR A 25 11.173 -18.371 6.766 1.00 0.00 C ATOM 318 C THR A 25 9.773 -17.992 7.243 1.00 0.00 C ATOM 319 O THR A 25 9.609 -17.412 8.315 1.00 0.00 O ATOM 320 CB THR A 25 11.318 -18.110 5.263 1.00 0.00 C ATOM 321 OG1 THR A 25 12.649 -18.349 4.841 1.00 0.00 O ATOM 322 CG2 THR A 25 10.956 -16.696 4.860 1.00 0.00 C ATOM 0 H THR A 25 12.243 -19.904 7.715 1.00 0.00 H new ATOM 0 HA THR A 25 11.892 -17.748 7.299 1.00 0.00 H new ATOM 0 HB THR A 25 10.620 -18.795 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.723 -18.179 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.081 -16.581 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.919 -16.496 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.607 -15.992 5.378 1.00 0.00 H new ATOM 330 N ALA A 26 8.766 -18.326 6.441 1.00 0.00 N ATOM 331 CA ALA A 26 7.379 -18.022 6.781 1.00 0.00 C ATOM 332 C ALA A 26 7.212 -16.559 7.183 1.00 0.00 C ATOM 333 O ALA A 26 6.329 -16.219 7.969 1.00 0.00 O ATOM 334 CB ALA A 26 6.901 -18.935 7.900 1.00 0.00 C ATOM 0 H ALA A 26 8.885 -18.808 5.550 1.00 0.00 H new ATOM 0 HA ALA A 26 6.770 -18.196 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.865 -18.699 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.970 -19.974 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.525 -18.788 8.781 1.00 0.00 H new ATOM 340 N ASP A 27 8.068 -15.699 6.641 1.00 0.00 N ATOM 341 CA ASP A 27 8.013 -14.274 6.946 1.00 0.00 C ATOM 342 C ASP A 27 8.422 -13.441 5.735 1.00 0.00 C ATOM 343 O ASP A 27 8.852 -13.978 4.716 1.00 0.00 O ATOM 344 CB ASP A 27 8.923 -13.950 8.133 1.00 0.00 C ATOM 345 CG ASP A 27 8.300 -12.944 9.081 1.00 0.00 C ATOM 346 OD1 ASP A 27 7.244 -13.257 9.669 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.870 -11.843 9.234 1.00 0.00 O ATOM 0 H ASP A 27 8.807 -15.963 5.989 1.00 0.00 H new ATOM 0 HA ASP A 27 6.984 -14.023 7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.147 -14.868 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.871 -13.559 7.764 1.00 0.00 H new ATOM 352 N GLU A 28 8.284 -12.124 5.856 1.00 0.00 N ATOM 353 CA GLU A 28 8.638 -11.215 4.773 1.00 0.00 C ATOM 354 C GLU A 28 9.220 -9.916 5.321 1.00 0.00 C ATOM 355 O GLU A 28 10.269 -9.455 4.871 1.00 0.00 O ATOM 356 CB GLU A 28 7.413 -10.914 3.909 1.00 0.00 C ATOM 357 CG GLU A 28 7.028 -12.055 2.981 1.00 0.00 C ATOM 358 CD GLU A 28 7.747 -11.990 1.648 1.00 0.00 C ATOM 359 OE1 GLU A 28 8.986 -12.149 1.633 1.00 0.00 O ATOM 360 OE2 GLU A 28 7.072 -11.779 0.619 1.00 0.00 O ATOM 0 H GLU A 28 7.929 -11.663 6.694 1.00 0.00 H new ATOM 0 HA GLU A 28 9.396 -11.701 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.568 -10.684 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.609 -10.022 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.254 -13.005 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.952 -12.032 2.811 1.00 0.00 H new ATOM 367 N LEU A 29 8.532 -9.332 6.296 1.00 0.00 N ATOM 368 CA LEU A 29 8.981 -8.085 6.907 1.00 0.00 C ATOM 369 C LEU A 29 9.508 -8.330 8.318 1.00 0.00 C ATOM 370 O LEU A 29 8.961 -7.818 9.296 1.00 0.00 O ATOM 371 CB LEU A 29 7.835 -7.070 6.943 1.00 0.00 C ATOM 372 CG LEU A 29 7.283 -6.668 5.572 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.811 -7.037 5.457 1.00 0.00 C ATOM 374 CD2 LEU A 29 7.480 -5.178 5.333 1.00 0.00 C ATOM 0 H LEU A 29 7.662 -9.701 6.680 1.00 0.00 H new ATOM 0 HA LEU A 29 9.793 -7.683 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.021 -7.484 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.180 -6.173 7.456 1.00 0.00 H new ATOM 0 HG LEU A 29 7.834 -7.215 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.438 -6.743 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.695 -8.114 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.244 -6.519 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.082 -4.911 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.956 -4.613 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.543 -4.941 5.369 1.00 0.00 H new ATOM 386 N PHE A 30 10.575 -9.116 8.416 1.00 0.00 N ATOM 387 CA PHE A 30 11.177 -9.428 9.706 1.00 0.00 C ATOM 388 C PHE A 30 12.187 -8.358 10.110 1.00 0.00 C ATOM 389 O PHE A 30 12.399 -8.108 11.297 1.00 0.00 O ATOM 390 CB PHE A 30 11.859 -10.797 9.657 1.00 0.00 C ATOM 391 CG PHE A 30 12.393 -11.250 10.987 1.00 0.00 C ATOM 392 CD1 PHE A 30 11.572 -11.281 12.103 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.713 -11.647 11.119 1.00 0.00 C ATOM 394 CE1 PHE A 30 12.059 -11.698 13.327 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.207 -12.064 12.340 1.00 0.00 C ATOM 396 CZ PHE A 30 13.378 -12.090 13.446 1.00 0.00 C ATOM 0 H PHE A 30 11.040 -9.548 7.618 1.00 0.00 H new ATOM 0 HA PHE A 30 10.383 -9.452 10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.147 -11.536 9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.678 -10.760 8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.540 -10.976 12.015 1.00 0.00 H new ATOM 0 HD2 PHE A 30 14.364 -11.630 10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.409 -11.717 14.189 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.239 -12.369 12.430 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.761 -12.416 14.402 1.00 0.00 H new ATOM 406 N ASP A 31 12.806 -7.729 9.117 1.00 0.00 N ATOM 407 CA ASP A 31 13.793 -6.686 9.369 1.00 0.00 C ATOM 408 C ASP A 31 13.164 -5.301 9.250 1.00 0.00 C ATOM 409 O ASP A 31 13.796 -4.361 8.769 1.00 0.00 O ATOM 410 CB ASP A 31 14.963 -6.814 8.392 1.00 0.00 C ATOM 411 CG ASP A 31 16.287 -6.431 9.023 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.756 -7.169 9.914 1.00 0.00 O ATOM 413 OD2 ASP A 31 16.855 -5.392 8.626 1.00 0.00 O ATOM 0 H ASP A 31 12.641 -7.924 8.129 1.00 0.00 H new ATOM 0 HA ASP A 31 14.164 -6.810 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.020 -7.840 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.780 -6.180 7.525 1.00 0.00 H new ATOM 418 N PHE A 32 11.916 -5.184 9.690 1.00 0.00 N ATOM 419 CA PHE A 32 11.201 -3.914 9.634 1.00 0.00 C ATOM 420 C PHE A 32 10.379 -3.697 10.900 1.00 0.00 C ATOM 421 O PHE A 32 9.215 -4.090 10.971 1.00 0.00 O ATOM 422 CB PHE A 32 10.289 -3.872 8.406 1.00 0.00 C ATOM 423 CG PHE A 32 10.999 -3.476 7.143 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.811 -4.381 6.477 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.856 -2.201 6.622 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.467 -4.019 5.315 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.509 -1.834 5.460 1.00 0.00 C ATOM 428 CZ PHE A 32 12.316 -2.744 4.806 1.00 0.00 C ATOM 0 H PHE A 32 11.378 -5.953 10.089 1.00 0.00 H new ATOM 0 HA PHE A 32 11.937 -3.114 9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.837 -4.854 8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.476 -3.170 8.591 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.932 -5.380 6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.227 -1.485 7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.097 -4.733 4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.388 -0.836 5.064 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.828 -2.459 3.899 1.00 0.00 H new ATOM 438 N HIS A 33 10.993 -3.067 11.896 1.00 0.00 N ATOM 439 CA HIS A 33 10.317 -2.797 13.161 1.00 0.00 C ATOM 440 C HIS A 33 9.240 -1.731 12.984 1.00 0.00 C ATOM 441 O HIS A 33 9.355 -0.854 12.129 1.00 0.00 O ATOM 442 CB HIS A 33 11.329 -2.351 14.218 1.00 0.00 C ATOM 443 CG HIS A 33 11.725 -3.443 15.163 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.190 -3.222 16.440 1.00 0.00 N ATOM 445 CD2 HIS A 33 11.717 -4.790 14.996 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.445 -4.413 16.998 1.00 0.00 C ATOM 447 NE2 HIS A 33 12.175 -5.398 16.162 1.00 0.00 N ATOM 0 H HIS A 33 11.956 -2.734 11.853 1.00 0.00 H new ATOM 0 HA HIS A 33 9.838 -3.718 13.495 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.221 -1.972 13.719 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.907 -1.523 14.788 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.405 -5.308 14.101 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.822 -4.549 18.001 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.280 -6.398 16.334 1.00 0.00 H new ATOM 455 N ILE A 34 8.194 -1.814 13.799 1.00 0.00 N ATOM 456 CA ILE A 34 7.097 -0.856 13.735 1.00 0.00 C ATOM 457 C ILE A 34 7.504 0.487 14.330 1.00 0.00 C ATOM 458 O ILE A 34 7.870 0.573 15.502 1.00 0.00 O ATOM 459 CB ILE A 34 5.851 -1.378 14.478 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.527 -2.806 14.036 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.664 -0.459 14.231 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.145 -2.915 12.576 1.00 0.00 C ATOM 0 H ILE A 34 8.083 -2.535 14.512 1.00 0.00 H new ATOM 0 HA ILE A 34 6.854 -0.724 12.681 1.00 0.00 H new ATOM 0 HB ILE A 34 6.062 -1.388 15.547 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.392 -3.441 14.225 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.710 -3.190 14.647 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.792 -0.841 14.762 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.898 0.543 14.591 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.450 -0.420 13.163 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.929 -3.955 12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.261 -2.307 12.385 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.970 -2.562 11.957 1.00 0.00 H new ATOM 474 N GLY A 35 7.437 1.535 13.515 1.00 0.00 N ATOM 475 CA GLY A 35 7.801 2.860 13.978 1.00 0.00 C ATOM 476 C GLY A 35 9.048 3.391 13.300 1.00 0.00 C ATOM 477 O GLY A 35 9.772 4.208 13.869 1.00 0.00 O ATOM 0 H GLY A 35 7.137 1.489 12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.973 3.545 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.961 2.833 15.056 1.00 0.00 H new ATOM 481 N ASP A 36 9.300 2.927 12.080 1.00 0.00 N ATOM 482 CA ASP A 36 10.469 3.360 11.323 1.00 0.00 C ATOM 483 C ASP A 36 10.065 3.862 9.940 1.00 0.00 C ATOM 484 O ASP A 36 9.125 3.350 9.333 1.00 0.00 O ATOM 485 CB ASP A 36 11.471 2.213 11.189 1.00 0.00 C ATOM 486 CG ASP A 36 12.078 1.816 12.521 1.00 0.00 C ATOM 487 OD1 ASP A 36 11.473 2.132 13.567 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.159 1.191 12.518 1.00 0.00 O ATOM 0 H ASP A 36 8.710 2.251 11.595 1.00 0.00 H new ATOM 0 HA ASP A 36 10.939 4.180 11.866 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.973 1.349 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.266 2.507 10.504 1.00 0.00 H new ATOM 493 N ARG A 37 10.781 4.868 9.449 1.00 0.00 N ATOM 494 CA ARG A 37 10.497 5.440 8.137 1.00 0.00 C ATOM 495 C ARG A 37 10.634 4.385 7.044 1.00 0.00 C ATOM 496 O ARG A 37 11.524 3.536 7.095 1.00 0.00 O ATOM 497 CB ARG A 37 11.439 6.610 7.853 1.00 0.00 C ATOM 498 CG ARG A 37 10.909 7.951 8.338 1.00 0.00 C ATOM 499 CD ARG A 37 11.328 9.086 7.417 1.00 0.00 C ATOM 500 NE ARG A 37 12.029 10.145 8.139 1.00 0.00 N ATOM 501 CZ ARG A 37 11.416 11.075 8.869 1.00 0.00 C ATOM 502 NH1 ARG A 37 10.092 11.080 8.976 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.128 12.003 9.493 1.00 0.00 N ATOM 0 H ARG A 37 11.562 5.304 9.939 1.00 0.00 H new ATOM 0 HA ARG A 37 9.469 5.803 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.400 6.415 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.620 6.667 6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.821 7.913 8.397 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.277 8.145 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.973 8.695 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.446 9.502 6.929 1.00 0.00 H new ATOM 0 HE ARG A 37 13.047 10.174 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.539 10.369 8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.628 11.795 9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.145 12.005 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.659 12.715 10.052 1.00 0.00 H new ATOM 517 N VAL A 38 9.746 4.444 6.058 1.00 0.00 N ATOM 518 CA VAL A 38 9.768 3.493 4.953 1.00 0.00 C ATOM 519 C VAL A 38 9.259 4.132 3.666 1.00 0.00 C ATOM 520 O VAL A 38 8.470 5.075 3.698 1.00 0.00 O ATOM 521 CB VAL A 38 8.915 2.249 5.266 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.518 1.464 6.420 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.481 2.649 5.575 1.00 0.00 C ATOM 0 H VAL A 38 9.002 5.140 6.001 1.00 0.00 H new ATOM 0 HA VAL A 38 10.806 3.189 4.819 1.00 0.00 H new ATOM 0 HB VAL A 38 8.907 1.606 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.902 0.589 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.526 1.144 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.560 2.096 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.894 1.757 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.467 3.314 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.053 3.163 4.714 1.00 0.00 H new ATOM 533 N LEU A 39 9.718 3.610 2.533 1.00 0.00 N ATOM 534 CA LEU A 39 9.309 4.127 1.231 1.00 0.00 C ATOM 535 C LEU A 39 8.455 3.107 0.486 1.00 0.00 C ATOM 536 O LEU A 39 8.917 2.014 0.163 1.00 0.00 O ATOM 537 CB LEU A 39 10.538 4.488 0.395 1.00 0.00 C ATOM 538 CG LEU A 39 10.310 5.578 -0.654 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.739 6.830 -0.008 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.608 5.896 -1.381 1.00 0.00 C ATOM 0 H LEU A 39 10.373 2.829 2.490 1.00 0.00 H new ATOM 0 HA LEU A 39 8.712 5.024 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.333 4.812 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.893 3.589 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 39 9.588 5.209 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.584 7.594 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.787 6.593 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.436 7.202 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.428 6.673 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.351 6.245 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.976 4.998 -1.877 1.00 0.00 H new ATOM 552 N ILE A 40 7.205 3.472 0.220 1.00 0.00 N ATOM 553 CA ILE A 40 6.286 2.587 -0.486 1.00 0.00 C ATOM 554 C ILE A 40 6.550 2.603 -1.989 1.00 0.00 C ATOM 555 O ILE A 40 6.325 3.612 -2.657 1.00 0.00 O ATOM 556 CB ILE A 40 4.819 2.979 -0.230 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.570 3.158 1.269 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.880 1.930 -0.807 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.190 3.688 1.594 1.00 0.00 C ATOM 0 H ILE A 40 6.806 4.373 0.482 1.00 0.00 H new ATOM 0 HA ILE A 40 6.458 1.582 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 40 4.621 3.928 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.709 2.200 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.317 3.840 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.847 2.222 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.042 1.848 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.077 0.967 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.084 3.790 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.054 4.661 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.437 2.995 1.219 1.00 0.00 H new ATOM 571 N GLY A 41 7.028 1.479 -2.512 1.00 0.00 N ATOM 572 CA GLY A 41 7.315 1.384 -3.931 1.00 0.00 C ATOM 573 C GLY A 41 8.375 2.372 -4.380 1.00 0.00 C ATOM 574 O GLY A 41 8.446 2.721 -5.558 1.00 0.00 O ATOM 0 H GLY A 41 7.222 0.632 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.645 0.372 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.399 1.558 -4.496 1.00 0.00 H new ATOM 578 N ASN A 42 9.201 2.823 -3.440 1.00 0.00 N ATOM 579 CA ASN A 42 10.263 3.775 -3.746 1.00 0.00 C ATOM 580 C ASN A 42 9.697 5.034 -4.399 1.00 0.00 C ATOM 581 O ASN A 42 10.212 5.505 -5.414 1.00 0.00 O ATOM 582 CB ASN A 42 11.303 3.132 -4.664 1.00 0.00 C ATOM 583 CG ASN A 42 12.383 2.401 -3.891 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.571 2.697 -4.028 1.00 0.00 O ATOM 585 ND2 ASN A 42 11.975 1.438 -3.073 1.00 0.00 N ATOM 0 H ASN A 42 9.155 2.544 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 42 10.742 4.060 -2.809 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.807 2.434 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.762 3.902 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.656 0.910 -2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.981 1.226 -2.990 1.00 0.00 H new ATOM 592 N VAL A 43 8.636 5.574 -3.809 1.00 0.00 N ATOM 593 CA VAL A 43 8.001 6.777 -4.334 1.00 0.00 C ATOM 594 C VAL A 43 7.131 7.447 -3.274 1.00 0.00 C ATOM 595 O VAL A 43 7.159 8.666 -3.115 1.00 0.00 O ATOM 596 CB VAL A 43 7.139 6.460 -5.572 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.021 5.492 -5.216 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.576 7.739 -6.175 1.00 0.00 C ATOM 0 H VAL A 43 8.198 5.198 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 43 8.800 7.459 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 43 7.774 5.983 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.425 5.282 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.450 4.564 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.386 5.936 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.971 7.494 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.958 8.248 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.396 8.392 -6.474 1.00 0.00 H new ATOM 608 N GLN A 44 6.358 6.641 -2.554 1.00 0.00 N ATOM 609 CA GLN A 44 5.478 7.156 -1.510 1.00 0.00 C ATOM 610 C GLN A 44 6.118 7.001 -0.131 1.00 0.00 C ATOM 611 O GLN A 44 6.090 5.919 0.455 1.00 0.00 O ATOM 612 CB GLN A 44 4.134 6.427 -1.546 1.00 0.00 C ATOM 613 CG GLN A 44 3.080 7.135 -2.382 1.00 0.00 C ATOM 614 CD GLN A 44 1.680 6.952 -1.830 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.465 6.190 -0.888 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.716 7.653 -2.417 1.00 0.00 N ATOM 0 H GLN A 44 6.323 5.629 -2.674 1.00 0.00 H new ATOM 0 HA GLN A 44 5.315 8.217 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.285 5.423 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.763 6.316 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.312 8.199 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.117 6.756 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.938 8.274 -3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.246 7.571 -2.089 1.00 0.00 H new ATOM 625 N PRO A 45 6.705 8.084 0.410 1.00 0.00 N ATOM 626 CA PRO A 45 7.350 8.055 1.727 1.00 0.00 C ATOM 627 C PRO A 45 6.342 7.925 2.863 1.00 0.00 C ATOM 628 O PRO A 45 5.189 8.336 2.735 1.00 0.00 O ATOM 629 CB PRO A 45 8.068 9.403 1.803 1.00 0.00 C ATOM 630 CG PRO A 45 7.289 10.295 0.899 1.00 0.00 C ATOM 631 CD PRO A 45 6.788 9.419 -0.214 1.00 0.00 C ATOM 0 HA PRO A 45 8.014 7.197 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.083 9.787 2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.105 9.318 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.460 10.763 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.914 11.100 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.817 9.752 -0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.469 9.423 -1.065 1.00 0.00 H new ATOM 639 N GLY A 46 6.785 7.348 3.976 1.00 0.00 N ATOM 640 CA GLY A 46 5.910 7.174 5.120 1.00 0.00 C ATOM 641 C GLY A 46 6.591 6.454 6.267 1.00 0.00 C ATOM 642 O GLY A 46 7.818 6.367 6.312 1.00 0.00 O ATOM 0 H GLY A 46 7.734 6.998 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.565 8.150 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.027 6.612 4.816 1.00 0.00 H new ATOM 646 N ILE A 47 5.794 5.936 7.195 1.00 0.00 N ATOM 647 CA ILE A 47 6.327 5.219 8.347 1.00 0.00 C ATOM 648 C ILE A 47 5.624 3.879 8.533 1.00 0.00 C ATOM 649 O ILE A 47 4.397 3.800 8.492 1.00 0.00 O ATOM 650 CB ILE A 47 6.182 6.045 9.640 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.682 7.475 9.419 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.939 5.380 10.780 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.582 8.513 9.476 1.00 0.00 C ATOM 0 H ILE A 47 4.776 5.999 7.172 1.00 0.00 H new ATOM 0 HA ILE A 47 7.385 5.048 8.151 1.00 0.00 H new ATOM 0 HB ILE A 47 5.127 6.090 9.909 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.432 7.710 10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.176 7.533 8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.827 5.975 11.687 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.537 4.381 10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.995 5.307 10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.007 9.503 9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.843 8.302 8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.103 8.482 10.455 1.00 0.00 H new ATOM 665 N LEU A 48 6.410 2.827 8.738 1.00 0.00 N ATOM 666 CA LEU A 48 5.862 1.490 8.932 1.00 0.00 C ATOM 667 C LEU A 48 5.111 1.397 10.256 1.00 0.00 C ATOM 668 O LEU A 48 5.722 1.345 11.324 1.00 0.00 O ATOM 669 CB LEU A 48 6.979 0.446 8.889 1.00 0.00 C ATOM 670 CG LEU A 48 6.518 -1.001 9.067 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.117 -1.601 7.728 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.615 -1.832 9.718 1.00 0.00 C ATOM 0 H LEU A 48 7.428 2.875 8.774 1.00 0.00 H new ATOM 0 HA LEU A 48 5.159 1.291 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.499 0.531 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.704 0.679 9.669 1.00 0.00 H new ATOM 0 HG LEU A 48 5.646 -1.008 9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.792 -2.631 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.301 -1.020 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.971 -1.583 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.271 -2.859 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.504 -1.818 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.856 -1.414 10.695 1.00 0.00 H new ATOM 684 N ARG A 49 3.785 1.379 10.180 1.00 0.00 N ATOM 685 CA ARG A 49 2.951 1.293 11.372 1.00 0.00 C ATOM 686 C ARG A 49 2.519 -0.146 11.634 1.00 0.00 C ATOM 687 O ARG A 49 2.329 -0.549 12.782 1.00 0.00 O ATOM 688 CB ARG A 49 1.720 2.189 11.224 1.00 0.00 C ATOM 689 CG ARG A 49 2.044 3.674 11.230 1.00 0.00 C ATOM 690 CD ARG A 49 2.330 4.178 12.635 1.00 0.00 C ATOM 691 NE ARG A 49 1.512 5.339 12.979 1.00 0.00 N ATOM 692 CZ ARG A 49 1.297 5.753 14.226 1.00 0.00 C ATOM 693 NH1 ARG A 49 1.837 5.105 15.249 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.540 6.819 14.449 1.00 0.00 N ATOM 0 H ARG A 49 3.264 1.423 9.304 1.00 0.00 H new ATOM 0 HA ARG A 49 3.541 1.635 12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.210 1.941 10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.025 1.974 12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.908 3.861 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.209 4.231 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.143 3.378 13.352 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.385 4.441 12.718 1.00 0.00 H new ATOM 0 HE ARG A 49 1.080 5.864 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.420 4.285 15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.669 5.427 16.202 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.123 7.321 13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.375 7.137 15.404 1.00 0.00 H new ATOM 708 N PHE A 50 2.363 -0.916 10.562 1.00 0.00 N ATOM 709 CA PHE A 50 1.951 -2.310 10.676 1.00 0.00 C ATOM 710 C PHE A 50 2.596 -3.157 9.583 1.00 0.00 C ATOM 711 O PHE A 50 3.085 -2.631 8.584 1.00 0.00 O ATOM 712 CB PHE A 50 0.428 -2.422 10.593 1.00 0.00 C ATOM 713 CG PHE A 50 -0.082 -3.826 10.746 1.00 0.00 C ATOM 714 CD1 PHE A 50 0.080 -4.511 11.939 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.725 -4.461 9.695 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.388 -5.804 12.082 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.196 -5.753 9.832 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.027 -6.425 11.026 1.00 0.00 C ATOM 0 H PHE A 50 2.516 -0.598 9.605 1.00 0.00 H new ATOM 0 HA PHE A 50 2.283 -2.684 11.645 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.016 -1.797 11.367 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.095 -2.026 9.634 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.578 -4.029 12.767 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.859 -3.940 8.758 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.254 -6.328 13.017 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.696 -6.237 9.006 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.394 -7.435 11.135 1.00 0.00 H new ATOM 728 N LYS A 51 2.593 -4.472 9.780 1.00 0.00 N ATOM 729 CA LYS A 51 3.176 -5.391 8.811 1.00 0.00 C ATOM 730 C LYS A 51 2.859 -6.839 9.173 1.00 0.00 C ATOM 731 O LYS A 51 3.449 -7.402 10.095 1.00 0.00 O ATOM 732 CB LYS A 51 4.691 -5.193 8.735 1.00 0.00 C ATOM 733 CG LYS A 51 5.373 -5.181 10.095 1.00 0.00 C ATOM 734 CD LYS A 51 6.337 -6.346 10.250 1.00 0.00 C ATOM 735 CE LYS A 51 6.570 -6.687 11.712 1.00 0.00 C ATOM 736 NZ LYS A 51 5.737 -7.842 12.151 1.00 0.00 N ATOM 0 H LYS A 51 2.193 -4.924 10.602 1.00 0.00 H new ATOM 0 HA LYS A 51 2.739 -5.175 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.123 -5.989 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.901 -4.253 8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.912 -4.243 10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.619 -5.225 10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.941 -7.219 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.287 -6.098 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.624 -6.919 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.340 -5.818 12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.472 -7.719 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.877 -7.892 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.280 -8.722 12.043 1.00 0.00 H new ATOM 750 N GLY A 52 1.924 -7.435 8.441 1.00 0.00 N ATOM 751 CA GLY A 52 1.544 -8.811 8.701 1.00 0.00 C ATOM 752 C GLY A 52 0.337 -9.242 7.892 1.00 0.00 C ATOM 753 O GLY A 52 -0.143 -8.498 7.036 1.00 0.00 O ATOM 0 H GLY A 52 1.423 -6.990 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.384 -9.466 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.327 -8.930 9.763 1.00 0.00 H new ATOM 757 N GLU A 53 -0.155 -10.446 8.162 1.00 0.00 N ATOM 758 CA GLU A 53 -1.314 -10.975 7.452 1.00 0.00 C ATOM 759 C GLU A 53 -2.595 -10.287 7.913 1.00 0.00 C ATOM 760 O GLU A 53 -2.769 -10.007 9.099 1.00 0.00 O ATOM 761 CB GLU A 53 -1.426 -12.485 7.669 1.00 0.00 C ATOM 762 CG GLU A 53 -0.154 -13.245 7.327 1.00 0.00 C ATOM 763 CD GLU A 53 0.613 -13.681 8.560 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.016 -14.238 9.484 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.843 -13.465 8.601 1.00 0.00 O ATOM 0 H GLU A 53 0.230 -11.074 8.867 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.179 -10.777 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.684 -12.676 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.245 -12.871 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.408 -14.122 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.486 -12.615 6.709 1.00 0.00 H new ATOM 772 N THR A 54 -3.490 -10.018 6.967 1.00 0.00 N ATOM 773 CA THR A 54 -4.755 -9.363 7.275 1.00 0.00 C ATOM 774 C THR A 54 -5.927 -10.314 7.060 1.00 0.00 C ATOM 775 O THR A 54 -5.738 -11.476 6.700 1.00 0.00 O ATOM 776 CB THR A 54 -4.931 -8.114 6.409 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.702 -8.414 5.044 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.002 -6.983 6.793 1.00 0.00 C ATOM 0 H THR A 54 -3.362 -10.244 5.981 1.00 0.00 H new ATOM 0 HA THR A 54 -4.737 -9.069 8.325 1.00 0.00 H new ATOM 0 HB THR A 54 -5.958 -7.790 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.767 -9.382 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.179 -6.129 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.189 -6.694 7.827 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.968 -7.311 6.689 1.00 0.00 H new ATOM 786 N SER A 55 -7.139 -9.813 7.283 1.00 0.00 N ATOM 787 CA SER A 55 -8.342 -10.620 7.114 1.00 0.00 C ATOM 788 C SER A 55 -8.955 -10.398 5.735 1.00 0.00 C ATOM 789 O SER A 55 -9.402 -11.343 5.085 1.00 0.00 O ATOM 790 CB SER A 55 -9.365 -10.281 8.199 1.00 0.00 C ATOM 791 OG SER A 55 -10.478 -11.156 8.143 1.00 0.00 O ATOM 0 H SER A 55 -7.313 -8.853 7.581 1.00 0.00 H new ATOM 0 HA SER A 55 -8.062 -11.669 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.895 -10.348 9.180 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.702 -9.251 8.077 1.00 0.00 H new ATOM 0 HG SER A 55 -11.116 -10.919 8.848 1.00 0.00 H new ATOM 797 N PHE A 56 -8.973 -9.145 5.294 1.00 0.00 N ATOM 798 CA PHE A 56 -9.532 -8.799 3.992 1.00 0.00 C ATOM 799 C PHE A 56 -8.778 -9.507 2.871 1.00 0.00 C ATOM 800 O PHE A 56 -9.354 -9.835 1.833 1.00 0.00 O ATOM 801 CB PHE A 56 -9.483 -7.285 3.778 1.00 0.00 C ATOM 802 CG PHE A 56 -8.141 -6.680 4.074 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.137 -6.686 3.118 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.883 -6.104 5.308 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.901 -6.129 3.388 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.649 -5.546 5.583 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.656 -5.559 4.622 1.00 0.00 C ATOM 0 H PHE A 56 -8.607 -8.351 5.819 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.571 -9.128 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.753 -7.063 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.233 -6.812 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.323 -7.131 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.655 -6.091 6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.127 -6.140 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.461 -5.100 6.548 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.691 -5.124 4.835 1.00 0.00 H new ATOM 817 N ALA A 57 -7.487 -9.740 3.087 1.00 0.00 N ATOM 818 CA ALA A 57 -6.655 -10.409 2.094 1.00 0.00 C ATOM 819 C ALA A 57 -5.429 -11.043 2.742 1.00 0.00 C ATOM 820 O ALA A 57 -4.768 -10.427 3.579 1.00 0.00 O ATOM 821 CB ALA A 57 -6.234 -9.427 1.012 1.00 0.00 C ATOM 0 H ALA A 57 -6.995 -9.475 3.940 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.244 -11.205 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.613 -9.939 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.120 -9.025 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.666 -8.612 1.461 1.00 0.00 H new ATOM 827 N LYS A 58 -5.130 -12.278 2.350 1.00 0.00 N ATOM 828 CA LYS A 58 -3.984 -12.996 2.892 1.00 0.00 C ATOM 829 C LYS A 58 -2.676 -12.336 2.464 1.00 0.00 C ATOM 830 O LYS A 58 -2.680 -11.340 1.740 1.00 0.00 O ATOM 831 CB LYS A 58 -4.005 -14.455 2.434 1.00 0.00 C ATOM 832 CG LYS A 58 -4.258 -14.621 0.943 1.00 0.00 C ATOM 833 CD LYS A 58 -3.215 -15.517 0.295 1.00 0.00 C ATOM 834 CE LYS A 58 -3.403 -15.587 -1.213 1.00 0.00 C ATOM 835 NZ LYS A 58 -3.040 -14.305 -1.877 1.00 0.00 N ATOM 0 H LYS A 58 -5.667 -12.802 1.658 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.049 -12.963 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.052 -14.920 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.777 -14.990 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.250 -15.045 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.249 -13.644 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.218 -15.140 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.281 -16.519 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.790 -16.392 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.441 -15.832 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.001 -14.446 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.755 -13.583 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.110 -13.989 -1.536 1.00 0.00 H new ATOM 849 N GLY A 59 -1.560 -12.899 2.914 1.00 0.00 N ATOM 850 CA GLY A 59 -0.261 -12.353 2.568 1.00 0.00 C ATOM 851 C GLY A 59 0.146 -11.205 3.470 1.00 0.00 C ATOM 852 O GLY A 59 -0.676 -10.668 4.211 1.00 0.00 O ATOM 0 H GLY A 59 -1.532 -13.724 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.489 -13.142 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.279 -12.009 1.534 1.00 0.00 H new ATOM 856 N PHE A 60 1.420 -10.828 3.408 1.00 0.00 N ATOM 857 CA PHE A 60 1.935 -9.737 4.226 1.00 0.00 C ATOM 858 C PHE A 60 1.377 -8.396 3.759 1.00 0.00 C ATOM 859 O PHE A 60 1.348 -8.108 2.561 1.00 0.00 O ATOM 860 CB PHE A 60 3.464 -9.713 4.179 1.00 0.00 C ATOM 861 CG PHE A 60 4.110 -10.376 5.362 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.404 -9.649 6.505 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.423 -11.725 5.332 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.998 -10.255 7.596 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.017 -12.337 6.420 1.00 0.00 C ATOM 866 CZ PHE A 60 5.306 -11.601 7.552 1.00 0.00 C ATOM 0 H PHE A 60 2.114 -11.263 2.800 1.00 0.00 H new ATOM 0 HA PHE A 60 1.614 -9.904 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.799 -10.207 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.802 -8.678 4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.166 -8.596 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.200 -12.305 4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.221 -9.678 8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.255 -13.390 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.772 -12.077 8.402 1.00 0.00 H new ATOM 876 N TRP A 61 0.936 -7.581 4.710 1.00 0.00 N ATOM 877 CA TRP A 61 0.379 -6.270 4.397 1.00 0.00 C ATOM 878 C TRP A 61 0.869 -5.222 5.391 1.00 0.00 C ATOM 879 O TRP A 61 0.502 -5.247 6.566 1.00 0.00 O ATOM 880 CB TRP A 61 -1.149 -6.326 4.410 1.00 0.00 C ATOM 881 CG TRP A 61 -1.725 -7.115 3.274 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.234 -8.380 3.329 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.846 -6.691 1.911 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.667 -8.769 2.084 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.440 -7.749 1.197 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.514 -5.520 1.225 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.706 -7.670 -0.168 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.778 -5.443 -0.130 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.369 -6.512 -0.813 1.00 0.00 C ATOM 0 H TRP A 61 0.953 -7.805 5.705 1.00 0.00 H new ATOM 0 HA TRP A 61 0.716 -5.987 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.481 -6.763 5.352 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.543 -5.310 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.289 -8.987 4.221 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.088 -9.670 1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.059 -4.689 1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.162 -8.493 -0.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.524 -4.543 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.563 -6.421 -1.871 1.00 0.00 H new ATOM 900 N ALA A 62 1.702 -4.304 4.912 1.00 0.00 N ATOM 901 CA ALA A 62 2.243 -3.249 5.759 1.00 0.00 C ATOM 902 C ALA A 62 1.464 -1.950 5.587 1.00 0.00 C ATOM 903 O ALA A 62 1.399 -1.394 4.491 1.00 0.00 O ATOM 904 CB ALA A 62 3.716 -3.027 5.450 1.00 0.00 C ATOM 0 H ALA A 62 2.017 -4.270 3.942 1.00 0.00 H new ATOM 0 HA ALA A 62 2.144 -3.566 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.107 -2.236 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.269 -3.948 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.829 -2.737 4.405 1.00 0.00 H new ATOM 910 N GLY A 63 0.874 -1.471 6.678 1.00 0.00 N ATOM 911 CA GLY A 63 0.108 -0.239 6.627 1.00 0.00 C ATOM 912 C GLY A 63 0.952 0.980 6.938 1.00 0.00 C ATOM 913 O GLY A 63 1.007 1.431 8.081 1.00 0.00 O ATOM 0 H GLY A 63 0.913 -1.914 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.332 -0.129 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.716 -0.297 7.338 1.00 0.00 H new ATOM 917 N VAL A 64 1.613 1.515 5.916 1.00 0.00 N ATOM 918 CA VAL A 64 2.460 2.689 6.083 1.00 0.00 C ATOM 919 C VAL A 64 1.623 3.956 6.232 1.00 0.00 C ATOM 920 O VAL A 64 0.576 4.097 5.601 1.00 0.00 O ATOM 921 CB VAL A 64 3.423 2.860 4.894 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.423 3.972 5.171 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.139 1.552 4.594 1.00 0.00 C ATOM 0 H VAL A 64 1.578 1.153 4.963 1.00 0.00 H new ATOM 0 HA VAL A 64 3.041 2.533 6.992 1.00 0.00 H new ATOM 0 HB VAL A 64 2.840 3.138 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.095 4.078 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.890 4.909 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.002 3.727 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.815 1.692 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.710 1.241 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.406 0.784 4.347 1.00 0.00 H new ATOM 933 N GLU A 65 2.095 4.874 7.068 1.00 0.00 N ATOM 934 CA GLU A 65 1.392 6.131 7.299 1.00 0.00 C ATOM 935 C GLU A 65 2.040 7.267 6.515 1.00 0.00 C ATOM 936 O GLU A 65 3.072 7.805 6.919 1.00 0.00 O ATOM 937 CB GLU A 65 1.382 6.467 8.791 1.00 0.00 C ATOM 938 CG GLU A 65 0.536 7.682 9.136 1.00 0.00 C ATOM 939 CD GLU A 65 1.007 8.382 10.396 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.120 8.948 10.380 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.263 8.362 11.399 1.00 0.00 O ATOM 0 H GLU A 65 2.961 4.772 7.597 1.00 0.00 H new ATOM 0 HA GLU A 65 0.365 6.014 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.010 5.606 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.406 6.642 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.560 8.385 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.502 7.373 9.263 1.00 0.00 H new ATOM 948 N LEU A 66 1.430 7.627 5.391 1.00 0.00 N ATOM 949 CA LEU A 66 1.948 8.699 4.549 1.00 0.00 C ATOM 950 C LEU A 66 1.875 10.041 5.269 1.00 0.00 C ATOM 951 O LEU A 66 0.981 10.272 6.084 1.00 0.00 O ATOM 952 CB LEU A 66 1.165 8.769 3.236 1.00 0.00 C ATOM 953 CG LEU A 66 1.105 7.459 2.448 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.345 7.655 1.146 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.508 6.938 2.175 1.00 0.00 C ATOM 0 H LEU A 66 0.576 7.192 5.042 1.00 0.00 H new ATOM 0 HA LEU A 66 2.993 8.481 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.147 9.091 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.613 9.536 2.604 1.00 0.00 H new ATOM 0 HG LEU A 66 0.574 6.719 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.312 6.713 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.671 7.984 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.848 8.409 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.447 6.006 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.063 7.675 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.020 6.759 3.120 1.00 0.00 H new ATOM 967 N ASP A 67 2.820 10.924 4.962 1.00 0.00 N ATOM 968 CA ASP A 67 2.862 12.244 5.579 1.00 0.00 C ATOM 969 C ASP A 67 1.734 13.126 5.053 1.00 0.00 C ATOM 970 O ASP A 67 1.229 13.995 5.765 1.00 0.00 O ATOM 971 CB ASP A 67 4.215 12.909 5.317 1.00 0.00 C ATOM 972 CG ASP A 67 4.862 13.424 6.588 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.489 14.528 7.039 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.742 12.725 7.133 1.00 0.00 O ATOM 0 H ASP A 67 3.567 10.749 4.290 1.00 0.00 H new ATOM 0 HA ASP A 67 2.729 12.121 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.882 12.193 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.081 13.736 4.620 1.00 0.00 H new ATOM 979 N LYS A 68 1.343 12.896 3.804 1.00 0.00 N ATOM 980 CA LYS A 68 0.274 13.669 3.182 1.00 0.00 C ATOM 981 C LYS A 68 -0.944 12.789 2.909 1.00 0.00 C ATOM 982 O LYS A 68 -0.838 11.563 2.869 1.00 0.00 O ATOM 983 CB LYS A 68 0.766 14.299 1.877 1.00 0.00 C ATOM 984 CG LYS A 68 1.548 15.587 2.081 1.00 0.00 C ATOM 985 CD LYS A 68 0.811 16.787 1.505 1.00 0.00 C ATOM 986 CE LYS A 68 0.855 16.794 -0.015 1.00 0.00 C ATOM 987 NZ LYS A 68 -0.449 16.394 -0.611 1.00 0.00 N ATOM 0 H LYS A 68 1.751 12.180 3.202 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.019 14.461 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.395 13.581 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.091 14.502 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.722 15.743 3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.526 15.498 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.226 16.773 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.256 17.706 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.124 17.790 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.635 16.114 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.601 16.917 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.442 15.373 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.217 16.612 0.056 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.124 13.406 2.717 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.363 12.670 2.448 1.00 0.00 C ATOM 1003 C PRO A 69 -3.365 12.024 1.066 1.00 0.00 C ATOM 1004 O PRO A 69 -4.015 12.512 0.141 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.445 13.749 2.538 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.738 15.021 2.217 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.340 14.865 2.747 1.00 0.00 C ATOM 0 HA PRO A 69 -3.507 11.846 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.255 13.557 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.889 13.783 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.730 15.202 1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.238 15.872 2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.614 15.391 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.246 15.264 3.757 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.633 10.923 0.933 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.549 10.208 -0.335 1.00 0.00 C ATOM 1017 C GLU A 70 -3.156 8.813 -0.216 1.00 0.00 C ATOM 1018 O GLU A 70 -3.796 8.323 -1.145 1.00 0.00 O ATOM 1019 CB GLU A 70 -1.093 10.106 -0.792 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.576 11.368 -1.463 1.00 0.00 C ATOM 1021 CD GLU A 70 -1.114 11.541 -2.871 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -2.318 11.841 -3.013 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -0.331 11.377 -3.830 1.00 0.00 O ATOM 0 H GLU A 70 -2.089 10.506 1.688 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.117 10.769 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.465 9.880 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.996 9.270 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.854 12.234 -0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.513 11.338 -1.495 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.950 8.180 0.935 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.482 6.849 1.154 1.00 0.00 C ATOM 1032 C GLY A 71 -4.991 6.798 1.024 1.00 0.00 C ATOM 1033 O GLY A 71 -5.607 7.725 0.496 1.00 0.00 O ATOM 0 H GLY A 71 -2.424 8.566 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.035 6.160 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.194 6.505 2.148 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.590 5.712 1.504 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.036 5.544 1.438 1.00 0.00 C ATOM 1039 C ASN A 72 -7.552 4.772 2.648 1.00 0.00 C ATOM 1040 O ASN A 72 -8.539 4.042 2.557 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.428 4.817 0.150 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.773 3.455 0.034 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.416 2.425 0.237 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.486 3.442 -0.293 1.00 0.00 N ATOM 0 H ASN A 72 -5.095 4.936 1.943 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.491 6.534 1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.511 4.700 0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.147 5.427 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.992 2.554 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.991 4.320 -0.452 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.876 4.938 3.781 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.267 4.256 5.010 1.00 0.00 C ATOM 1053 C ASN A 73 -6.808 5.039 6.235 1.00 0.00 C ATOM 1054 O ASN A 73 -5.900 5.865 6.151 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.681 2.844 5.042 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.467 1.872 4.186 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.671 1.692 4.375 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.789 1.235 3.238 1.00 0.00 N ATOM 0 H ASN A 73 -6.056 5.538 3.873 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.355 4.190 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.648 2.875 4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.662 2.485 6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.265 0.567 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.792 1.414 3.116 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.443 4.774 7.373 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.099 5.455 8.616 1.00 0.00 C ATOM 1067 C ASN A 74 -6.602 4.461 9.662 1.00 0.00 C ATOM 1068 O ASN A 74 -6.764 4.676 10.862 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.311 6.216 9.156 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.487 5.304 9.445 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.718 4.913 10.589 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.236 4.958 8.404 1.00 0.00 N ATOM 0 H ASN A 74 -8.198 4.093 7.460 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.298 6.163 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.029 6.741 10.069 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.612 6.974 8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.040 4.344 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.007 5.306 7.473 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.996 3.372 9.198 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.485 2.365 10.107 1.00 0.00 C ATOM 1081 C GLY A 75 -6.461 1.225 10.322 1.00 0.00 C ATOM 1082 O GLY A 75 -6.056 0.074 10.487 1.00 0.00 O ATOM 0 H GLY A 75 -5.850 3.170 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.549 1.968 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.257 2.829 11.067 1.00 0.00 H new ATOM 1086 N THR A 76 -7.752 1.545 10.320 1.00 0.00 N ATOM 1087 CA THR A 76 -8.788 0.538 10.516 1.00 0.00 C ATOM 1088 C THR A 76 -9.316 0.029 9.179 1.00 0.00 C ATOM 1089 O THR A 76 -9.979 0.761 8.444 1.00 0.00 O ATOM 1090 CB THR A 76 -9.937 1.115 11.346 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.479 2.169 12.173 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.605 0.090 12.237 1.00 0.00 C ATOM 0 H THR A 76 -8.104 2.493 10.185 1.00 0.00 H new ATOM 0 HA THR A 76 -8.346 -0.302 11.052 1.00 0.00 H new ATOM 0 HB THR A 76 -10.667 1.472 10.619 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.564 3.020 11.695 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.410 0.565 12.798 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.014 -0.713 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.872 -0.321 12.932 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.019 -1.229 8.872 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.466 -1.836 7.623 1.00 0.00 C ATOM 1102 C TYR A 77 -10.731 -2.659 7.841 1.00 0.00 C ATOM 1103 O TYR A 77 -10.678 -3.771 8.365 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.362 -2.720 7.039 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.476 -2.924 5.546 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.549 -3.618 4.999 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.511 -2.421 4.681 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.656 -3.806 3.635 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.612 -2.606 3.315 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.685 -3.298 2.798 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.789 -3.484 1.438 1.00 0.00 O ATOM 0 H TYR A 77 -8.471 -1.848 9.470 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.692 -1.036 6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.394 -2.273 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.387 -3.691 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.312 -4.017 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.669 -1.877 5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.496 -4.348 3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.853 -2.210 2.656 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.025 -3.064 0.991 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.869 -2.104 7.436 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.150 -2.786 7.587 1.00 0.00 C ATOM 1123 C ASP A 78 -13.461 -3.038 9.061 1.00 0.00 C ATOM 1124 O ASP A 78 -14.133 -4.010 9.405 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.140 -4.109 6.818 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.893 -4.019 5.505 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -15.054 -3.555 5.518 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -13.324 -4.412 4.465 1.00 0.00 O ATOM 0 H ASP A 78 -11.930 -1.184 7.001 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.929 -2.143 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.109 -4.405 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.585 -4.889 7.436 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.968 -2.156 9.924 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.206 -2.302 11.349 1.00 0.00 C ATOM 1135 C GLY A 79 -11.977 -2.779 12.097 1.00 0.00 C ATOM 1136 O GLY A 79 -11.814 -2.490 13.283 1.00 0.00 O ATOM 0 H GLY A 79 -12.409 -1.344 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.529 -1.346 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.021 -3.008 11.507 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.112 -3.513 11.406 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.893 -4.032 12.014 1.00 0.00 C ATOM 1142 C ILE A 80 -8.859 -2.927 12.200 1.00 0.00 C ATOM 1143 O ILE A 80 -8.194 -2.518 11.248 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.276 -5.160 11.164 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.343 -6.190 10.791 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.131 -5.823 11.916 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.916 -6.927 11.981 1.00 0.00 C ATOM 0 H ILE A 80 -11.233 -3.762 10.424 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.172 -4.434 12.988 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.880 -4.728 10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.152 -5.687 10.262 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.911 -6.914 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.705 -6.618 11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.362 -5.082 12.135 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.505 -6.245 12.849 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.666 -7.641 11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.118 -7.459 12.498 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.378 -6.213 12.663 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.727 -2.449 13.433 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.774 -1.391 13.744 1.00 0.00 C ATOM 1161 C ALA A 81 -6.367 -1.954 13.921 1.00 0.00 C ATOM 1162 O ALA A 81 -6.157 -2.898 14.682 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.205 -0.643 14.997 1.00 0.00 C ATOM 0 H ALA A 81 -9.268 -2.778 14.233 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.757 -0.694 12.906 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.484 0.144 15.217 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.188 -0.200 14.836 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.252 -1.337 15.837 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.407 -1.367 13.213 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.021 -1.810 13.290 1.00 0.00 C ATOM 1171 C TYR A 82 -3.122 -0.695 13.815 1.00 0.00 C ATOM 1172 O TYR A 82 -2.253 -0.927 14.655 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.532 -2.271 11.915 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.115 -3.596 11.480 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.775 -4.774 12.133 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.005 -3.669 10.416 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.305 -5.988 11.737 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.540 -4.880 10.015 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.187 -6.035 10.678 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.717 -7.241 10.282 1.00 0.00 O ATOM 0 H TYR A 82 -5.565 -0.583 12.580 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.973 -2.649 13.984 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.785 -1.512 11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.445 -2.350 11.933 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.085 -4.741 12.964 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.284 -2.766 9.893 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.030 -6.895 12.255 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.231 -4.920 9.186 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.321 -7.100 9.523 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.337 0.517 13.313 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.547 1.668 13.731 1.00 0.00 C ATOM 1192 C PHE A 83 -3.389 2.940 13.715 1.00 0.00 C ATOM 1193 O PHE A 83 -4.485 2.964 13.155 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.330 1.836 12.819 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.672 1.844 11.357 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.971 0.663 10.696 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.695 3.031 10.643 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.286 0.667 9.350 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.009 3.041 9.297 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.305 1.857 8.650 1.00 0.00 C ATOM 0 H PHE A 83 -4.052 0.727 12.616 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.206 1.492 14.751 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.824 2.768 13.070 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.625 1.028 13.015 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.958 -0.271 11.239 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.465 3.960 11.144 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.517 -0.260 8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.023 3.973 8.752 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.551 1.862 7.598 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.870 3.995 14.333 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.574 5.271 14.390 1.00 0.00 C ATOM 1212 C GLU A 84 -2.985 6.264 13.392 1.00 0.00 C ATOM 1213 O GLU A 84 -1.769 6.433 13.315 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.508 5.851 15.804 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.319 7.125 15.978 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.096 7.778 17.327 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.923 7.913 17.735 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -5.094 8.155 17.977 1.00 0.00 O ATOM 0 H GLU A 84 -1.964 3.992 14.802 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.616 5.094 14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.866 5.103 16.512 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.467 6.056 16.056 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.055 7.830 15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.378 6.896 15.860 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.857 6.917 12.631 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.423 7.895 11.639 1.00 0.00 C ATOM 1227 C CYS A 85 -4.597 8.740 11.158 1.00 0.00 C ATOM 1228 O CYS A 85 -5.710 8.622 11.670 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.766 7.188 10.451 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.877 6.094 9.537 1.00 0.00 S ATOM 0 H CYS A 85 -4.867 6.787 12.682 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.694 8.555 12.109 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.371 7.940 9.768 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.917 6.607 10.812 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.390 4.889 9.530 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.341 9.591 10.170 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.376 10.457 9.618 1.00 0.00 C ATOM 1238 C LYS A 86 -6.495 9.634 8.988 1.00 0.00 C ATOM 1239 O LYS A 86 -6.505 8.407 9.080 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.775 11.406 8.579 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.467 12.790 9.127 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.075 12.853 9.734 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.548 14.277 9.774 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.700 14.888 11.124 1.00 0.00 N ATOM 0 H LYS A 86 -3.425 9.699 9.735 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.798 11.044 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.858 10.967 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.467 11.501 7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.550 13.526 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.207 13.056 9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.099 12.444 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.395 12.229 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.496 14.283 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.080 14.882 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.329 15.859 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.706 14.906 11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.171 14.326 11.821 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.437 10.319 8.347 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.561 9.652 7.700 1.00 0.00 C ATOM 1260 C GLU A 87 -8.113 8.938 6.430 1.00 0.00 C ATOM 1261 O GLU A 87 -8.487 7.791 6.186 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.661 10.664 7.373 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.800 10.671 8.380 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.413 12.047 8.557 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -10.648 13.019 8.728 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.657 12.151 8.525 1.00 0.00 O ATOM 0 H GLU A 87 -7.444 11.335 8.262 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.957 8.907 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.223 11.661 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.063 10.444 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.571 9.973 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.432 10.315 9.342 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.310 9.623 5.622 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.812 9.054 4.376 1.00 0.00 C ATOM 1275 C LYS A 88 -5.303 9.243 4.253 1.00 0.00 C ATOM 1276 O LYS A 88 -4.825 9.946 3.363 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.519 9.695 3.180 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.998 9.354 3.092 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.630 9.929 1.835 1.00 0.00 C ATOM 1280 CE LYS A 88 -10.466 11.161 2.143 1.00 0.00 C ATOM 1281 NZ LYS A 88 -10.280 12.229 1.123 1.00 0.00 N ATOM 0 H LYS A 88 -6.990 10.574 5.809 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.024 7.985 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.407 10.778 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.026 9.374 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.124 8.271 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.514 9.742 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.849 10.188 1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.256 9.172 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.519 10.883 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.195 11.547 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.867 13.051 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.280 12.513 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.563 11.870 0.189 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.559 8.609 5.153 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.103 8.706 5.146 1.00 0.00 C ATOM 1297 C HIS A 89 -2.465 7.321 5.158 1.00 0.00 C ATOM 1298 O HIS A 89 -1.506 7.061 4.431 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.619 9.515 6.350 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.550 10.988 6.092 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.404 11.740 6.232 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.518 11.852 5.695 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.705 13.008 5.921 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.975 13.130 5.588 1.00 0.00 N ATOM 0 H HIS A 89 -4.939 8.023 5.896 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.802 9.216 4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.287 9.333 7.192 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.631 9.159 6.643 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.489 11.393 6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.546 11.590 5.494 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.999 13.825 5.941 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.004 6.433 5.988 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.474 5.086 6.079 1.00 0.00 C ATOM 1314 C GLY A 90 -2.803 4.250 4.857 1.00 0.00 C ATOM 1315 O GLY A 90 -3.924 4.296 4.350 1.00 0.00 O ATOM 0 H GLY A 90 -3.798 6.623 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.392 5.132 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.877 4.600 6.967 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.824 3.484 4.385 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.018 2.635 3.215 1.00 0.00 C ATOM 1321 C ILE A 91 -1.344 1.279 3.404 1.00 0.00 C ATOM 1322 O ILE A 91 -0.193 1.201 3.835 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.466 3.304 1.939 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.769 2.445 0.710 1.00 0.00 C ATOM 1325 CG2 ILE A 91 0.031 3.545 2.068 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.822 3.234 -0.581 1.00 0.00 C ATOM 0 H ILE A 91 -0.891 3.434 4.794 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.092 2.489 3.101 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.959 4.268 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.008 1.670 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.723 1.939 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.403 4.017 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.222 4.197 2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.541 2.593 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.041 2.561 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.603 3.992 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.860 3.718 -0.751 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.068 0.214 3.076 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.541 -1.139 3.209 1.00 0.00 C ATOM 1340 C PHE A 92 -0.932 -1.618 1.895 1.00 0.00 C ATOM 1341 O PHE A 92 -1.645 -1.863 0.921 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.646 -2.099 3.651 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.322 -1.691 4.930 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.297 -0.707 4.929 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -2.980 -2.290 6.130 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.919 -0.329 6.104 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.599 -1.917 7.308 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.570 -0.935 7.296 1.00 0.00 C ATOM 0 H PHE A 92 -3.021 0.262 2.716 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.758 -1.123 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.394 -2.168 2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.222 -3.095 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.574 -0.230 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.221 -3.058 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.678 0.440 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.324 -2.393 8.237 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.055 -0.642 8.215 1.00 0.00 H new ATOM 1358 N ALA A 93 0.391 -1.750 1.873 1.00 0.00 N ATOM 1359 CA ALA A 93 1.095 -2.199 0.679 1.00 0.00 C ATOM 1360 C ALA A 93 1.886 -3.476 0.955 1.00 0.00 C ATOM 1361 O ALA A 93 2.375 -3.684 2.066 1.00 0.00 O ATOM 1362 CB ALA A 93 2.019 -1.104 0.169 1.00 0.00 C ATOM 0 H ALA A 93 0.996 -1.552 2.670 1.00 0.00 H new ATOM 0 HA ALA A 93 0.354 -2.421 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.539 -1.453 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.433 -0.218 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.748 -0.855 0.940 1.00 0.00 H new ATOM 1368 N PRO A 94 2.023 -4.350 -0.056 1.00 0.00 N ATOM 1369 CA PRO A 94 2.760 -5.612 0.085 1.00 0.00 C ATOM 1370 C PRO A 94 4.166 -5.401 0.639 1.00 0.00 C ATOM 1371 O PRO A 94 4.692 -4.288 0.612 1.00 0.00 O ATOM 1372 CB PRO A 94 2.824 -6.149 -1.346 1.00 0.00 C ATOM 1373 CG PRO A 94 1.655 -5.538 -2.035 1.00 0.00 C ATOM 1374 CD PRO A 94 1.473 -4.180 -1.414 1.00 0.00 C ATOM 0 HA PRO A 94 2.276 -6.291 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.759 -5.870 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.768 -7.237 -1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.833 -5.456 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.762 -6.149 -1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.006 -3.409 -1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.423 -3.887 -1.389 1.00 0.00 H new ATOM 1382 N PRO A 95 4.798 -6.473 1.148 1.00 0.00 N ATOM 1383 CA PRO A 95 6.152 -6.402 1.709 1.00 0.00 C ATOM 1384 C PRO A 95 7.177 -5.921 0.688 1.00 0.00 C ATOM 1385 O PRO A 95 8.094 -5.171 1.020 1.00 0.00 O ATOM 1386 CB PRO A 95 6.452 -7.848 2.127 1.00 0.00 C ATOM 1387 CG PRO A 95 5.474 -8.685 1.376 1.00 0.00 C ATOM 1388 CD PRO A 95 4.246 -7.835 1.218 1.00 0.00 C ATOM 0 HA PRO A 95 6.210 -5.690 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.477 -8.124 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.337 -7.978 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.874 -8.978 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.247 -9.603 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.689 -8.092 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.563 -7.952 2.059 1.00 0.00 H new ATOM 1396 N GLN A 96 7.014 -6.358 -0.556 1.00 0.00 N ATOM 1397 CA GLN A 96 7.926 -5.972 -1.627 1.00 0.00 C ATOM 1398 C GLN A 96 7.962 -4.456 -1.798 1.00 0.00 C ATOM 1399 O GLN A 96 8.958 -3.896 -2.255 1.00 0.00 O ATOM 1400 CB GLN A 96 7.509 -6.635 -2.943 1.00 0.00 C ATOM 1401 CG GLN A 96 6.043 -6.431 -3.289 1.00 0.00 C ATOM 1402 CD GLN A 96 5.702 -6.907 -4.687 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.586 -7.252 -5.470 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.413 -6.928 -5.006 1.00 0.00 N ATOM 0 H GLN A 96 6.259 -6.979 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 96 8.926 -6.311 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.123 -6.238 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.714 -7.704 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.425 -6.965 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.796 -5.373 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.714 -6.633 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.122 -7.239 -5.933 1.00 0.00 H new ATOM 1413 N LYS A 97 6.869 -3.795 -1.427 1.00 0.00 N ATOM 1414 CA LYS A 97 6.778 -2.345 -1.541 1.00 0.00 C ATOM 1415 C LYS A 97 7.093 -1.670 -0.209 1.00 0.00 C ATOM 1416 O LYS A 97 6.498 -0.650 0.138 1.00 0.00 O ATOM 1417 CB LYS A 97 5.381 -1.936 -2.014 1.00 0.00 C ATOM 1418 CG LYS A 97 4.990 -2.545 -3.351 1.00 0.00 C ATOM 1419 CD LYS A 97 5.192 -1.562 -4.495 1.00 0.00 C ATOM 1420 CE LYS A 97 3.865 -1.102 -5.075 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.130 -2.216 -5.733 1.00 0.00 N ATOM 0 H LYS A 97 6.035 -4.241 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 97 7.514 -2.019 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.650 -2.232 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.336 -0.850 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.584 -3.441 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.946 -2.856 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.754 -0.698 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.789 -2.030 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.249 -0.680 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.042 -0.306 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.462 -1.828 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.807 -2.842 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.607 -2.758 -5.016 1.00 0.00 H new ATOM 1435 N ILE A 98 8.033 -2.246 0.533 1.00 0.00 N ATOM 1436 CA ILE A 98 8.427 -1.700 1.826 1.00 0.00 C ATOM 1437 C ILE A 98 9.945 -1.675 1.971 1.00 0.00 C ATOM 1438 O ILE A 98 10.572 -2.703 2.225 1.00 0.00 O ATOM 1439 CB ILE A 98 7.825 -2.512 2.989 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.317 -2.677 2.797 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.125 -1.838 4.320 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.551 -1.372 2.870 1.00 0.00 C ATOM 0 H ILE A 98 8.536 -3.091 0.261 1.00 0.00 H new ATOM 0 HA ILE A 98 8.042 -0.681 1.869 1.00 0.00 H new ATOM 0 HB ILE A 98 8.282 -3.501 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.131 -3.144 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.934 -3.357 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.693 -2.425 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.204 -1.769 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.693 -0.837 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.488 -1.565 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.707 -0.913 3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.906 -0.697 2.091 1.00 0.00 H new ATOM 1454 N SER A 99 10.531 -0.493 1.807 1.00 0.00 N ATOM 1455 CA SER A 99 11.975 -0.332 1.920 1.00 0.00 C ATOM 1456 C SER A 99 12.321 0.875 2.785 1.00 0.00 C ATOM 1457 O SER A 99 11.461 1.704 3.083 1.00 0.00 O ATOM 1458 CB SER A 99 12.602 -0.177 0.533 1.00 0.00 C ATOM 1459 OG SER A 99 12.563 -1.399 -0.184 1.00 0.00 O ATOM 0 H SER A 99 10.027 0.368 1.595 1.00 0.00 H new ATOM 0 HA SER A 99 12.379 -1.225 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.070 0.593 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.635 0.157 0.633 1.00 0.00 H new ATOM 0 HG SER A 99 12.968 -1.273 -1.067 1.00 0.00 H new ATOM 1465 N HIS A 100 13.584 0.968 3.184 1.00 0.00 N ATOM 1466 CA HIS A 100 14.043 2.074 4.015 1.00 0.00 C ATOM 1467 C HIS A 100 14.295 3.319 3.170 1.00 0.00 C ATOM 1468 O HIS A 100 14.979 3.259 2.148 1.00 0.00 O ATOM 1469 CB HIS A 100 15.319 1.685 4.762 1.00 0.00 C ATOM 1470 CG HIS A 100 15.136 0.529 5.697 1.00 0.00 C ATOM 1471 ND1 HIS A 100 14.784 -0.738 5.291 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.266 0.468 7.046 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.710 -1.513 6.382 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.995 -0.829 7.472 1.00 0.00 N ATOM 0 H HIS A 100 14.308 0.291 2.945 1.00 0.00 H new ATOM 0 HA HIS A 100 13.261 2.299 4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.093 1.436 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.676 2.546 5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.537 1.294 7.687 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.451 -2.561 6.370 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.013 -1.178 8.430 1.00 0.00 H new ATOM 1482 N ILE A 101 13.739 4.445 3.602 1.00 0.00 N ATOM 1483 CA ILE A 101 13.906 5.702 2.885 1.00 0.00 C ATOM 1484 C ILE A 101 15.368 6.147 2.893 1.00 0.00 C ATOM 1485 O ILE A 101 16.040 6.073 3.921 1.00 0.00 O ATOM 1486 CB ILE A 101 13.035 6.820 3.494 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.583 6.355 3.618 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.123 8.081 2.648 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.660 7.404 4.198 1.00 0.00 C ATOM 0 H ILE A 101 13.169 4.512 4.445 1.00 0.00 H new ATOM 0 HA ILE A 101 13.587 5.526 1.858 1.00 0.00 H new ATOM 0 HB ILE A 101 13.410 7.049 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.217 6.066 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.547 5.464 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.503 8.860 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.158 8.420 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.771 7.867 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.647 7.005 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.001 7.677 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.666 8.287 3.559 1.00 0.00 H new ATOM 1501 N PRO A 102 15.883 6.617 1.742 1.00 0.00 N ATOM 1502 CA PRO A 102 17.273 7.071 1.628 1.00 0.00 C ATOM 1503 C PRO A 102 17.639 8.089 2.703 1.00 0.00 C ATOM 1504 O PRO A 102 16.816 8.917 3.095 1.00 0.00 O ATOM 1505 CB PRO A 102 17.326 7.717 0.242 1.00 0.00 C ATOM 1506 CG PRO A 102 16.240 7.052 -0.529 1.00 0.00 C ATOM 1507 CD PRO A 102 15.155 6.740 0.464 1.00 0.00 C ATOM 0 HA PRO A 102 17.980 6.252 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.167 8.794 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.297 7.563 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.869 7.703 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.603 6.143 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.407 7.532 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.631 5.818 0.210 1.00 0.00 H new ATOM 1515 N GLU A 103 18.879 8.023 3.175 1.00 0.00 N ATOM 1516 CA GLU A 103 19.356 8.940 4.203 1.00 0.00 C ATOM 1517 C GLU A 103 19.540 10.344 3.637 1.00 0.00 C ATOM 1518 O GLU A 103 19.409 11.336 4.354 1.00 0.00 O ATOM 1519 CB GLU A 103 20.675 8.437 4.793 1.00 0.00 C ATOM 1520 CG GLU A 103 20.500 7.333 5.822 1.00 0.00 C ATOM 1521 CD GLU A 103 21.718 7.167 6.710 1.00 0.00 C ATOM 1522 OE1 GLU A 103 22.820 6.935 6.170 1.00 0.00 O ATOM 1523 OE2 GLU A 103 21.569 7.268 7.946 1.00 0.00 O ATOM 0 H GLU A 103 19.572 7.344 2.862 1.00 0.00 H new ATOM 0 HA GLU A 103 18.606 8.982 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 103 21.309 8.072 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.199 9.274 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.630 7.553 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.297 6.392 5.310 1.00 0.00 H new ATOM 1530 N ASN A 104 19.845 10.421 2.345 1.00 0.00 N ATOM 1531 CA ASN A 104 20.048 11.705 1.682 1.00 0.00 C ATOM 1532 C ASN A 104 18.787 12.141 0.942 1.00 0.00 C ATOM 1533 O ASN A 104 18.861 12.831 -0.075 1.00 0.00 O ATOM 1534 CB ASN A 104 21.225 11.617 0.708 1.00 0.00 C ATOM 1535 CG ASN A 104 22.230 12.734 0.913 1.00 0.00 C ATOM 1536 OD1 ASN A 104 22.398 13.600 0.054 1.00 0.00 O ATOM 1537 ND2 ASN A 104 22.905 12.720 2.056 1.00 0.00 N ATOM 0 H ASN A 104 19.957 9.610 1.737 1.00 0.00 H new ATOM 0 HA ASN A 104 20.273 12.450 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 104 21.724 10.656 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 104 20.850 11.653 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 104 23.595 13.446 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 104 22.734 11.983 2.740 1.00 0.00 H new ATOM 1544 N PHE A 105 17.631 11.734 1.457 1.00 0.00 N ATOM 1545 CA PHE A 105 16.355 12.084 0.843 1.00 0.00 C ATOM 1546 C PHE A 105 15.866 13.439 1.343 1.00 0.00 C ATOM 1547 O PHE A 105 15.190 14.170 0.620 1.00 0.00 O ATOM 1548 CB PHE A 105 15.310 11.010 1.146 1.00 0.00 C ATOM 1549 CG PHE A 105 14.055 11.149 0.331 1.00 0.00 C ATOM 1550 CD1 PHE A 105 14.109 11.166 -1.053 1.00 0.00 C ATOM 1551 CD2 PHE A 105 12.820 11.263 0.951 1.00 0.00 C ATOM 1552 CE1 PHE A 105 12.957 11.295 -1.804 1.00 0.00 C ATOM 1553 CE2 PHE A 105 11.664 11.391 0.205 1.00 0.00 C ATOM 1554 CZ PHE A 105 11.732 11.408 -1.174 1.00 0.00 C ATOM 0 H PHE A 105 17.552 11.162 2.298 1.00 0.00 H new ATOM 0 HA PHE A 105 16.502 12.145 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.746 10.028 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.053 11.052 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 105 15.063 11.077 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 105 12.761 11.252 2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 105 13.013 11.308 -2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.708 11.478 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.830 11.509 -1.759 1.00 0.00 H new ATOM 1564 N ASP A 106 16.212 13.766 2.584 1.00 0.00 N ATOM 1565 CA ASP A 106 15.808 15.033 3.181 1.00 0.00 C ATOM 1566 C ASP A 106 14.289 15.130 3.276 1.00 0.00 C ATOM 1567 O ASP A 106 13.639 15.710 2.407 1.00 0.00 O ATOM 1568 CB ASP A 106 16.356 16.205 2.366 1.00 0.00 C ATOM 1569 CG ASP A 106 17.716 16.666 2.857 1.00 0.00 C ATOM 1570 OD1 ASP A 106 18.395 15.879 3.548 1.00 0.00 O ATOM 1571 OD2 ASP A 106 18.099 17.814 2.551 1.00 0.00 O ATOM 0 H ASP A 106 16.771 13.171 3.195 1.00 0.00 H new ATOM 0 HA ASP A 106 16.221 15.078 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.431 15.912 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.654 17.037 2.415 1.00 0.00 H new ATOM 1576 N ASP A 107 13.730 14.558 4.336 1.00 0.00 N ATOM 1577 CA ASP A 107 12.286 14.579 4.546 1.00 0.00 C ATOM 1578 C ASP A 107 11.935 15.321 5.831 1.00 0.00 C ATOM 1579 O ASP A 107 12.588 15.144 6.860 1.00 0.00 O ATOM 1580 CB ASP A 107 11.737 13.152 4.600 1.00 0.00 C ATOM 1581 CG ASP A 107 12.539 12.258 5.525 1.00 0.00 C ATOM 1582 OD1 ASP A 107 13.266 12.796 6.388 1.00 0.00 O ATOM 1583 OD2 ASP A 107 12.441 11.021 5.387 1.00 0.00 O ATOM 0 H ASP A 107 14.255 14.073 5.064 1.00 0.00 H new ATOM 0 HA ASP A 107 11.829 15.105 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.700 13.177 4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 107 11.739 12.727 3.596 1.00 0.00 H new ATOM 1588 N TYR A 108 10.899 16.151 5.766 1.00 0.00 N ATOM 1589 CA TYR A 108 10.461 16.919 6.925 1.00 0.00 C ATOM 1590 C TYR A 108 9.560 16.080 7.824 1.00 0.00 C ATOM 1591 O TYR A 108 9.002 15.070 7.394 1.00 0.00 O ATOM 1592 CB TYR A 108 9.723 18.182 6.479 1.00 0.00 C ATOM 1593 CG TYR A 108 8.649 17.926 5.446 1.00 0.00 C ATOM 1594 CD1 TYR A 108 7.408 17.422 5.816 1.00 0.00 C ATOM 1595 CD2 TYR A 108 8.876 18.189 4.101 1.00 0.00 C ATOM 1596 CE1 TYR A 108 6.425 17.188 4.874 1.00 0.00 C ATOM 1597 CE2 TYR A 108 7.897 17.956 3.153 1.00 0.00 C ATOM 1598 CZ TYR A 108 6.673 17.455 3.545 1.00 0.00 C ATOM 1599 OH TYR A 108 5.695 17.223 2.605 1.00 0.00 O ATOM 0 H TYR A 108 10.347 16.309 4.923 1.00 0.00 H new ATOM 0 HA TYR A 108 11.345 17.207 7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.271 18.655 7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 108 10.445 18.889 6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.209 17.210 6.856 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.833 18.582 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 108 5.465 16.797 5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 108 8.090 18.165 2.111 1.00 0.00 H new ATOM 0 HH TYR A 108 6.031 17.465 1.717 1.00 0.00 H new ATOM 1609 N VAL A 109 9.421 16.504 9.076 1.00 0.00 N ATOM 1610 CA VAL A 109 8.588 15.791 10.038 1.00 0.00 C ATOM 1611 C VAL A 109 7.264 16.514 10.260 1.00 0.00 C ATOM 1612 O VAL A 109 7.237 17.646 10.742 1.00 0.00 O ATOM 1613 CB VAL A 109 9.305 15.625 11.391 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.343 14.517 11.315 1.00 0.00 C ATOM 1615 CG2 VAL A 109 9.944 16.936 11.825 1.00 0.00 C ATOM 0 H VAL A 109 9.875 17.338 9.448 1.00 0.00 H new ATOM 0 HA VAL A 109 8.394 14.804 9.617 1.00 0.00 H new ATOM 0 HB VAL A 109 8.564 15.345 12.139 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.838 14.416 12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.854 13.577 11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.082 14.762 10.552 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.445 16.797 12.783 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.672 17.251 11.077 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.174 17.700 11.926 1.00 0.00 H new ATOM 1625 N ASP A 110 6.167 15.853 9.905 1.00 0.00 N ATOM 1626 CA ASP A 110 4.839 16.433 10.065 1.00 0.00 C ATOM 1627 C ASP A 110 3.798 15.348 10.323 1.00 0.00 C ATOM 1628 O ASP A 110 2.661 15.443 9.864 1.00 0.00 O ATOM 1629 CB ASP A 110 4.457 17.236 8.821 1.00 0.00 C ATOM 1630 CG ASP A 110 4.974 18.660 8.870 1.00 0.00 C ATOM 1631 OD1 ASP A 110 6.193 18.857 8.685 1.00 0.00 O ATOM 1632 OD2 ASP A 110 4.159 19.580 9.095 1.00 0.00 O ATOM 0 H ASP A 110 6.172 14.915 9.504 1.00 0.00 H new ATOM 0 HA ASP A 110 4.863 17.100 10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 110 4.853 16.739 7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.372 17.250 8.720 1.00 0.00 H new ATOM 1637 N ILE A 111 4.197 14.317 11.061 1.00 0.00 N ATOM 1638 CA ILE A 111 3.298 13.213 11.381 1.00 0.00 C ATOM 1639 C ILE A 111 3.330 12.893 12.871 1.00 0.00 C ATOM 1640 O ILE A 111 4.055 13.528 13.638 1.00 0.00 O ATOM 1641 CB ILE A 111 3.662 11.944 10.587 1.00 0.00 C ATOM 1642 CG1 ILE A 111 5.163 11.664 10.689 1.00 0.00 C ATOM 1643 CG2 ILE A 111 3.242 12.091 9.132 1.00 0.00 C ATOM 1644 CD1 ILE A 111 5.578 11.073 12.018 1.00 0.00 C ATOM 0 H ILE A 111 5.136 14.223 11.448 1.00 0.00 H new ATOM 0 HA ILE A 111 2.294 13.532 11.102 1.00 0.00 H new ATOM 0 HB ILE A 111 3.125 11.098 11.016 1.00 0.00 H new ATOM 0 HG12 ILE A 111 5.452 10.981 9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 111 5.710 12.593 10.527 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.506 11.186 8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 111 2.164 12.247 9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.754 12.945 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.654 10.901 12.019 1.00 0.00 H new ATOM 0 HD12 ILE A 111 5.320 11.765 12.820 1.00 0.00 H new ATOM 0 HD13 ILE A 111 5.059 10.127 12.174 1.00 0.00 H new ATOM 1656 N ASN A 112 2.540 11.903 13.277 1.00 0.00 N ATOM 1657 CA ASN A 112 2.480 11.499 14.676 1.00 0.00 C ATOM 1658 C ASN A 112 1.975 12.642 15.551 1.00 0.00 C ATOM 1659 O ASN A 112 1.794 13.765 15.079 1.00 0.00 O ATOM 1660 CB ASN A 112 3.857 11.040 15.159 1.00 0.00 C ATOM 1661 CG ASN A 112 4.028 9.536 15.077 1.00 0.00 C ATOM 1662 OD1 ASN A 112 4.562 8.910 15.991 1.00 0.00 O ATOM 1663 ND2 ASN A 112 3.574 8.949 13.976 1.00 0.00 N ATOM 0 H ASN A 112 1.933 11.367 12.657 1.00 0.00 H new ATOM 0 HA ASN A 112 1.781 10.667 14.757 1.00 0.00 H new ATOM 0 HB2 ASN A 112 4.629 11.524 14.560 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.004 11.364 16.189 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.662 7.939 13.863 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.138 9.508 13.243 1.00 0.00 H new ATOM 1670 N GLU A 113 1.748 12.349 16.827 1.00 0.00 N ATOM 1671 CA GLU A 113 1.264 13.352 17.768 1.00 0.00 C ATOM 1672 C GLU A 113 2.392 13.843 18.669 1.00 0.00 C ATOM 1673 O GLU A 113 2.662 15.042 18.745 1.00 0.00 O ATOM 1674 CB GLU A 113 0.129 12.779 18.618 1.00 0.00 C ATOM 1675 CG GLU A 113 -0.827 13.835 19.149 1.00 0.00 C ATOM 1676 CD GLU A 113 -1.897 14.212 18.142 1.00 0.00 C ATOM 1677 OE1 GLU A 113 -2.472 13.297 17.517 1.00 0.00 O ATOM 1678 OE2 GLU A 113 -2.158 15.423 17.979 1.00 0.00 O ATOM 0 H GLU A 113 1.892 11.425 17.233 1.00 0.00 H new ATOM 0 HA GLU A 113 0.887 14.199 17.195 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.432 12.060 18.022 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.556 12.232 19.459 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.302 13.466 20.058 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.262 14.726 19.424 1.00 0.00 H new ATOM 1685 N ASP A 114 3.048 12.909 19.349 1.00 0.00 N ATOM 1686 CA ASP A 114 4.148 13.248 20.245 1.00 0.00 C ATOM 1687 C ASP A 114 4.986 12.015 20.565 1.00 0.00 C ATOM 1688 O ASP A 114 6.216 12.062 20.530 1.00 0.00 O ATOM 1689 CB ASP A 114 3.608 13.865 21.537 1.00 0.00 C ATOM 1690 CG ASP A 114 4.381 15.102 21.954 1.00 0.00 C ATOM 1691 OD1 ASP A 114 5.611 15.133 21.741 1.00 0.00 O ATOM 1692 OD2 ASP A 114 3.755 16.039 22.491 1.00 0.00 O ATOM 0 H ASP A 114 2.838 11.912 19.297 1.00 0.00 H new ATOM 0 HA ASP A 114 4.785 13.976 19.743 1.00 0.00 H new ATOM 0 HB2 ASP A 114 2.558 14.124 21.401 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.653 13.125 22.336 1.00 0.00 H new ATOM 1697 N GLU A 115 4.314 10.912 20.879 1.00 0.00 N ATOM 1698 CA GLU A 115 4.997 9.666 21.206 1.00 0.00 C ATOM 1699 C GLU A 115 5.762 9.133 20.000 1.00 0.00 C ATOM 1700 O GLU A 115 5.165 8.758 18.989 1.00 0.00 O ATOM 1701 CB GLU A 115 3.990 8.621 21.690 1.00 0.00 C ATOM 1702 CG GLU A 115 4.595 7.576 22.613 1.00 0.00 C ATOM 1703 CD GLU A 115 5.011 8.152 23.952 1.00 0.00 C ATOM 1704 OE1 GLU A 115 6.104 8.751 24.027 1.00 0.00 O ATOM 1705 OE2 GLU A 115 4.242 8.005 24.926 1.00 0.00 O ATOM 0 H GLU A 115 3.296 10.856 20.914 1.00 0.00 H new ATOM 0 HA GLU A 115 5.711 9.870 22.004 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.176 9.126 22.210 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.554 8.121 20.825 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.872 6.777 22.774 1.00 0.00 H new ATOM 0 HG3 GLU A 115 5.463 7.128 22.129 1.00 0.00 H new ATOM 1712 N ASP A 116 7.086 9.099 20.112 1.00 0.00 N ATOM 1713 CA ASP A 116 7.933 8.610 19.030 1.00 0.00 C ATOM 1714 C ASP A 116 8.398 7.184 19.306 1.00 0.00 C ATOM 1715 O ASP A 116 8.745 6.842 20.436 1.00 0.00 O ATOM 1716 CB ASP A 116 9.143 9.528 18.847 1.00 0.00 C ATOM 1717 CG ASP A 116 8.879 10.638 17.848 1.00 0.00 C ATOM 1718 OD1 ASP A 116 8.200 11.619 18.216 1.00 0.00 O ATOM 1719 OD2 ASP A 116 9.354 10.527 16.698 1.00 0.00 O ATOM 0 H ASP A 116 7.596 9.404 20.941 1.00 0.00 H new ATOM 0 HA ASP A 116 7.345 8.610 18.112 1.00 0.00 H new ATOM 0 HB2 ASP A 116 9.413 9.965 19.808 1.00 0.00 H new ATOM 0 HB3 ASP A 116 9.997 8.938 18.514 1.00 0.00 H new ATOM 1724 N SER A 117 8.404 6.357 18.266 1.00 0.00 N ATOM 1725 CA SER A 117 8.828 4.967 18.398 1.00 0.00 C ATOM 1726 C SER A 117 10.198 4.754 17.762 1.00 0.00 C ATOM 1727 O SER A 117 10.476 5.262 16.676 1.00 0.00 O ATOM 1728 CB SER A 117 7.801 4.037 17.749 1.00 0.00 C ATOM 1729 OG SER A 117 6.504 4.264 18.274 1.00 0.00 O ATOM 0 H SER A 117 8.121 6.624 17.323 1.00 0.00 H new ATOM 0 HA SER A 117 8.901 4.733 19.460 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.793 4.195 16.671 1.00 0.00 H new ATOM 0 HB3 SER A 117 8.088 2.999 17.917 1.00 0.00 H new ATOM 0 HG SER A 117 5.866 3.659 17.842 1.00 0.00 H new ATOM 1735 N GLY A 118 11.051 4.000 18.447 1.00 0.00 N ATOM 1736 CA GLY A 118 12.382 3.733 17.935 1.00 0.00 C ATOM 1737 C GLY A 118 13.440 3.767 19.022 1.00 0.00 C ATOM 1738 O GLY A 118 13.138 3.531 20.192 1.00 0.00 O ATOM 0 H GLY A 118 10.844 3.569 19.348 1.00 0.00 H new ATOM 0 HA2 GLY A 118 12.393 2.756 17.452 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.628 4.469 17.170 1.00 0.00 H new ATOM 1742 N PRO A 119 14.702 4.059 18.663 1.00 0.00 N ATOM 1743 CA PRO A 119 15.804 4.119 19.630 1.00 0.00 C ATOM 1744 C PRO A 119 15.688 5.317 20.566 1.00 0.00 C ATOM 1745 O PRO A 119 14.665 6.003 20.589 1.00 0.00 O ATOM 1746 CB PRO A 119 17.046 4.250 18.747 1.00 0.00 C ATOM 1747 CG PRO A 119 16.551 4.871 17.487 1.00 0.00 C ATOM 1748 CD PRO A 119 15.154 4.354 17.290 1.00 0.00 C ATOM 0 HA PRO A 119 15.820 3.247 20.284 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.806 4.870 19.222 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.501 3.278 18.557 1.00 0.00 H new ATOM 0 HG2 PRO A 119 16.558 5.959 17.559 1.00 0.00 H new ATOM 0 HG3 PRO A 119 17.188 4.604 16.644 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.516 5.094 16.807 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.140 3.463 16.662 1.00 0.00 H new ATOM 1756 N SER A 120 16.742 5.564 21.336 1.00 0.00 N ATOM 1757 CA SER A 120 16.759 6.680 22.275 1.00 0.00 C ATOM 1758 C SER A 120 15.646 6.539 23.307 1.00 0.00 C ATOM 1759 O SER A 120 14.534 7.029 23.108 1.00 0.00 O ATOM 1760 CB SER A 120 16.609 8.006 21.525 1.00 0.00 C ATOM 1761 OG SER A 120 17.596 8.135 20.516 1.00 0.00 O ATOM 0 H SER A 120 17.596 5.006 21.329 1.00 0.00 H new ATOM 0 HA SER A 120 17.717 6.670 22.796 1.00 0.00 H new ATOM 0 HB2 SER A 120 15.617 8.064 21.077 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.691 8.836 22.227 1.00 0.00 H new ATOM 0 HG SER A 120 17.478 8.989 20.050 1.00 0.00 H new ATOM 1767 N SER A 121 15.952 5.866 24.412 1.00 0.00 N ATOM 1768 CA SER A 121 14.977 5.659 25.476 1.00 0.00 C ATOM 1769 C SER A 121 15.655 5.148 26.743 1.00 0.00 C ATOM 1770 O SER A 121 16.731 4.552 26.686 1.00 0.00 O ATOM 1771 CB SER A 121 13.900 4.672 25.025 1.00 0.00 C ATOM 1772 OG SER A 121 14.420 3.357 24.932 1.00 0.00 O ATOM 0 H SER A 121 16.868 5.455 24.593 1.00 0.00 H new ATOM 0 HA SER A 121 14.509 6.618 25.698 1.00 0.00 H new ATOM 0 HB2 SER A 121 13.069 4.689 25.730 1.00 0.00 H new ATOM 0 HB3 SER A 121 13.503 4.979 24.057 1.00 0.00 H new ATOM 0 HG SER A 121 13.711 2.745 24.644 1.00 0.00 H new ATOM 1778 N GLY A 122 15.019 5.383 27.886 1.00 0.00 N ATOM 1779 CA GLY A 122 15.575 4.939 29.150 1.00 0.00 C ATOM 1780 C GLY A 122 15.341 5.935 30.268 1.00 0.00 C ATOM 1781 O GLY A 122 15.854 5.706 31.385 1.00 0.00 O ATOM 1782 OXT GLY A 122 14.646 6.944 30.029 1.00 0.00 O ATOM 0 H GLY A 122 14.128 5.873 27.959 1.00 0.00 H new ATOM 0 HA2 GLY A 122 15.131 3.981 29.422 1.00 0.00 H new ATOM 0 HA3 GLY A 122 16.646 4.773 29.034 1.00 0.00 H new TER 1786 GLY A 122