USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1077 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: B 93 SER OG : rot 85:sc= 1.29 USER MOD Set 1.2: B 97 ASN : amide:sc= 0.845 K(o=2.1,f=1.2) USER MOD Set 1.3: B 104 TYR OH : rot 152:sc= 0 USER MOD Set 2.1: B 84 THR OG1 : rot 160:sc= 0.736 USER MOD Set 2.2: B 111 LYS NZ :NH3+ -175:sc= 0.849 (180deg=0) USER MOD Set 3.1: B 77 HIS : no HD1:sc= 0.976 K(o=2.2,f=-3.3!) USER MOD Set 3.2: B 137 TYR OH : rot 38:sc= 1.19 USER MOD Set 4.1: A 54 THR OG1 : rot -140:sc= 0.475 USER MOD Set 4.2: A 56 LYS NZ :NH3+ 154:sc= 0.632 (180deg=0) USER MOD Set 4.3: A 57 THR OG1 : rot 91:sc= 1 USER MOD Set 5.1: A 14 THR OG1 : rot 59:sc= 0.814 USER MOD Set 5.2: A 15 CYS SG : rot 113:sc= -8.53! USER MOD Set 5.3: A 18 CYS SG : rot 117:sc= 0.713 USER MOD Set 5.4: B 85 CYS SG : rot 145:sc= -8.64! USER MOD Set 6.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -131:sc= -0.0315 (180deg=-0.667) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 17 SER OG : rot 130:sc= 0 USER MOD Single : A 21 THR OG1 : rot 82:sc= 0.193 USER MOD Single : A 24 GLN : amide:sc= -0.0911 X(o=-0.091,f=-0.091) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.028 K(o=-0.028,f=-0.56) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= 1.19 (180deg=0.39) USER MOD Single : A 53 GLN : amide:sc= -1.05 K(o=-1,f=-8.5!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 178:sc=-0.00449 (180deg=-0.00764) USER MOD Single : A 72 HIS : no HD1:sc=-0.00763 X(o=-0.0076,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.15) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl -167:sc= -0.0368 (180deg=-0.277) USER MOD Single : B 88 CYS SG : rot 150:sc= -0.357 USER MOD Single : B 98 LYS NZ :NH3+ 159:sc= 0.595 (180deg=0.502) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : B 112 LYS NZ :NH3+ 168:sc= 0.645 (180deg=0.604) USER MOD Single : B 114 CYS SG : rot 180:sc= -0.609 USER MOD Single : B 117 SER OG : rot 180:sc= 0.234 USER MOD Single : B 119 HIS : no HD1:sc=-0.00272 X(o=-0.0027,f=0) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl 173:sc= 0 (180deg=-0.0742) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 91:sc= 1.28 USER MOD Single : B 129 LYS NZ :NH3+ -135:sc= 0.997 (180deg=0.0889) USER MOD Single : B 130 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00418) USER MOD Single : B 131 THR OG1 : rot 82:sc= 1.3 USER MOD Single : B 133 LYS NZ :NH3+ 172:sc= 1.43 (180deg=1.32) USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -6.718 -6.951 26.382 1.00 0.00 N ATOM 21 CA GLY A 2 -5.441 -6.305 26.048 1.00 0.00 C ATOM 22 C GLY A 2 -4.648 -7.037 24.963 1.00 0.00 C ATOM 23 O GLY A 2 -3.834 -6.408 24.290 1.00 0.00 O ATOM 0 HA2 GLY A 2 -5.635 -5.285 25.718 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.831 -6.238 26.949 1.00 0.00 H new ATOM 27 N VAL A 3 -4.930 -8.328 24.761 1.00 0.00 N ATOM 28 CA VAL A 3 -4.619 -9.089 23.539 1.00 0.00 C ATOM 29 C VAL A 3 -5.829 -9.902 23.045 1.00 0.00 C ATOM 30 O VAL A 3 -6.519 -10.559 23.826 1.00 0.00 O ATOM 31 CB VAL A 3 -3.395 -10.025 23.697 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.075 -9.237 23.739 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.440 -10.985 24.897 1.00 0.00 C ATOM 0 H VAL A 3 -5.398 -8.896 25.468 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.366 -8.336 22.792 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.444 -10.648 22.804 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.241 -9.930 23.851 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.958 -8.674 22.813 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.089 -8.548 24.583 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.535 -11.592 24.911 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.506 -10.410 25.821 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.311 -11.634 24.811 1.00 0.00 H new ATOM 43 N ASN A 4 -6.067 -9.862 21.731 1.00 0.00 N ATOM 44 CA ASN A 4 -7.012 -10.705 20.987 1.00 0.00 C ATOM 45 C ASN A 4 -6.355 -11.163 19.666 1.00 0.00 C ATOM 46 O ASN A 4 -5.751 -10.361 18.951 1.00 0.00 O ATOM 47 CB ASN A 4 -8.318 -9.921 20.742 1.00 0.00 C ATOM 48 CG ASN A 4 -9.474 -10.769 20.200 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.388 -11.983 20.041 1.00 0.00 O ATOM 50 ND2 ASN A 4 -10.610 -10.165 19.910 1.00 0.00 N ATOM 0 H ASN A 4 -5.579 -9.205 21.122 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.264 -11.596 21.562 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.631 -9.458 21.678 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.116 -9.113 20.039 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.400 -10.706 19.559 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.698 -9.157 20.036 1.00 0.00 H new ATOM 57 N SER A 5 -6.423 -12.457 19.354 1.00 0.00 N ATOM 58 CA SER A 5 -5.781 -13.080 18.186 1.00 0.00 C ATOM 59 C SER A 5 -6.725 -13.214 16.978 1.00 0.00 C ATOM 60 O SER A 5 -7.857 -13.686 17.118 1.00 0.00 O ATOM 61 CB SER A 5 -5.271 -14.469 18.591 1.00 0.00 C ATOM 62 OG SER A 5 -4.693 -15.137 17.487 1.00 0.00 O ATOM 0 H SER A 5 -6.942 -13.126 19.923 1.00 0.00 H new ATOM 0 HA SER A 5 -4.963 -12.431 17.875 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.534 -14.372 19.388 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.095 -15.061 18.989 1.00 0.00 H new ATOM 0 HG SER A 5 -4.373 -16.019 17.769 1.00 0.00 H new ATOM 68 N VAL A 6 -6.254 -12.867 15.773 1.00 0.00 N ATOM 69 CA VAL A 6 -6.961 -13.056 14.487 1.00 0.00 C ATOM 70 C VAL A 6 -5.928 -13.347 13.394 1.00 0.00 C ATOM 71 O VAL A 6 -4.795 -12.864 13.445 1.00 0.00 O ATOM 72 CB VAL A 6 -7.793 -11.792 14.111 1.00 0.00 C ATOM 73 CG1 VAL A 6 -8.413 -11.838 12.700 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.947 -11.533 15.094 1.00 0.00 C ATOM 0 H VAL A 6 -5.339 -12.431 15.656 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.653 -13.893 14.583 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.055 -10.991 14.152 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.974 -10.921 12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.621 -11.931 11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.083 -12.695 12.625 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.494 -10.642 14.786 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.621 -12.389 15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.545 -11.384 16.096 1.00 0.00 H new ATOM 84 N THR A 7 -6.345 -14.123 12.391 1.00 0.00 N ATOM 85 CA THR A 7 -5.632 -14.325 11.125 1.00 0.00 C ATOM 86 C THR A 7 -6.553 -13.983 9.954 1.00 0.00 C ATOM 87 O THR A 7 -7.769 -14.181 9.980 1.00 0.00 O ATOM 88 CB THR A 7 -5.052 -15.744 11.043 1.00 0.00 C ATOM 89 OG1 THR A 7 -4.015 -15.835 11.992 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.386 -16.068 9.704 1.00 0.00 C ATOM 0 H THR A 7 -7.219 -14.647 12.438 1.00 0.00 H new ATOM 0 HA THR A 7 -4.778 -13.649 11.073 1.00 0.00 H new ATOM 0 HB THR A 7 -5.888 -16.426 11.199 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.625 -16.733 11.965 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.002 -17.088 9.726 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.117 -15.973 8.901 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.564 -15.374 9.529 1.00 0.00 H new ATOM 98 N ILE A 8 -5.959 -13.414 8.913 1.00 0.00 N ATOM 99 CA ILE A 8 -6.626 -12.967 7.689 1.00 0.00 C ATOM 100 C ILE A 8 -5.826 -13.510 6.497 1.00 0.00 C ATOM 101 O ILE A 8 -4.627 -13.278 6.397 1.00 0.00 O ATOM 102 CB ILE A 8 -6.729 -11.416 7.710 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.430 -10.910 8.998 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.456 -10.894 6.464 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.768 -9.413 9.044 1.00 0.00 C ATOM 0 H ILE A 8 -4.954 -13.242 8.894 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.645 -13.346 7.607 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.712 -11.024 7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.354 -11.474 9.129 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.791 -11.143 9.850 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.514 -9.806 6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.909 -11.195 5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.463 -11.310 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.254 -9.179 9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.851 -8.830 8.953 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.439 -9.166 8.221 1.00 0.00 H new ATOM 117 N SER A 9 -6.455 -14.234 5.577 1.00 0.00 N ATOM 118 CA SER A 9 -5.835 -14.521 4.279 1.00 0.00 C ATOM 119 C SER A 9 -5.775 -13.217 3.468 1.00 0.00 C ATOM 120 O SER A 9 -6.803 -12.556 3.295 1.00 0.00 O ATOM 121 CB SER A 9 -6.590 -15.623 3.524 1.00 0.00 C ATOM 122 OG SER A 9 -6.438 -16.875 4.180 1.00 0.00 O ATOM 0 H SER A 9 -7.386 -14.632 5.700 1.00 0.00 H new ATOM 0 HA SER A 9 -4.824 -14.897 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.647 -15.367 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.215 -15.694 2.503 1.00 0.00 H new ATOM 0 HG SER A 9 -6.927 -17.565 3.685 1.00 0.00 H new ATOM 128 N VAL A 10 -4.581 -12.838 3.003 1.00 0.00 N ATOM 129 CA VAL A 10 -4.296 -11.628 2.222 1.00 0.00 C ATOM 130 C VAL A 10 -3.884 -12.070 0.815 1.00 0.00 C ATOM 131 O VAL A 10 -2.784 -12.548 0.557 1.00 0.00 O ATOM 132 CB VAL A 10 -3.286 -10.674 2.906 1.00 0.00 C ATOM 133 CG1 VAL A 10 -1.899 -11.275 3.164 1.00 0.00 C ATOM 134 CG2 VAL A 10 -3.125 -9.377 2.095 1.00 0.00 C ATOM 0 H VAL A 10 -3.743 -13.395 3.169 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.194 -11.014 2.154 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.722 -10.473 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.264 -10.531 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.995 -12.145 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.451 -11.576 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.411 -8.722 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.761 -9.616 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.089 -8.873 2.020 1.00 0.00 H new ATOM 144 N GLU A 11 -4.856 -11.961 -0.075 1.00 0.00 N ATOM 145 CA GLU A 11 -4.912 -12.618 -1.387 1.00 0.00 C ATOM 146 C GLU A 11 -3.910 -12.048 -2.410 1.00 0.00 C ATOM 147 O GLU A 11 -3.544 -12.745 -3.358 1.00 0.00 O ATOM 148 CB GLU A 11 -6.337 -12.452 -1.948 1.00 0.00 C ATOM 149 CG GLU A 11 -7.453 -13.117 -1.126 1.00 0.00 C ATOM 150 CD GLU A 11 -7.652 -14.575 -1.527 1.00 0.00 C ATOM 151 OE1 GLU A 11 -8.434 -14.823 -2.476 1.00 0.00 O ATOM 152 OE2 GLU A 11 -7.033 -15.469 -0.913 1.00 0.00 O ATOM 0 H GLU A 11 -5.677 -11.381 0.100 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.644 -13.664 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.555 -11.387 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.361 -12.861 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.207 -13.061 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.385 -12.570 -1.267 1.00 0.00 H new ATOM 159 N GLY A 12 -3.504 -10.779 -2.254 1.00 0.00 N ATOM 160 CA GLY A 12 -2.756 -10.013 -3.268 1.00 0.00 C ATOM 161 C GLY A 12 -1.334 -9.587 -2.887 1.00 0.00 C ATOM 162 O GLY A 12 -0.690 -8.898 -3.673 1.00 0.00 O ATOM 0 H GLY A 12 -3.689 -10.245 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.701 -10.612 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.328 -9.117 -3.510 1.00 0.00 H new ATOM 166 N MET A 13 -0.847 -9.954 -1.701 1.00 0.00 N ATOM 167 CA MET A 13 0.482 -9.590 -1.182 1.00 0.00 C ATOM 168 C MET A 13 1.468 -10.744 -1.416 1.00 0.00 C ATOM 169 O MET A 13 1.143 -11.878 -1.062 1.00 0.00 O ATOM 170 CB MET A 13 0.312 -9.283 0.307 1.00 0.00 C ATOM 171 CG MET A 13 1.600 -8.872 1.029 1.00 0.00 C ATOM 172 SD MET A 13 1.486 -9.168 2.805 1.00 0.00 S ATOM 173 CE MET A 13 1.738 -10.965 2.786 1.00 0.00 C ATOM 0 H MET A 13 -1.380 -10.531 -1.051 1.00 0.00 H new ATOM 0 HA MET A 13 0.888 -8.718 -1.694 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.421 -8.484 0.418 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.100 -10.163 0.801 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.442 -9.430 0.619 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.799 -7.816 0.847 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.967 -11.447 3.387 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.680 -11.330 1.760 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.719 -11.199 3.199 1.00 0.00 H new ATOM 183 N THR A 14 2.651 -10.474 -1.999 1.00 0.00 N ATOM 184 CA THR A 14 3.561 -11.537 -2.482 1.00 0.00 C ATOM 185 C THR A 14 5.042 -11.385 -2.154 1.00 0.00 C ATOM 186 O THR A 14 5.744 -12.386 -2.298 1.00 0.00 O ATOM 187 CB THR A 14 3.417 -11.731 -4.000 1.00 0.00 C ATOM 188 OG1 THR A 14 3.591 -10.504 -4.677 1.00 0.00 O ATOM 189 CG2 THR A 14 2.044 -12.297 -4.369 1.00 0.00 C ATOM 0 H THR A 14 3.002 -9.528 -2.148 1.00 0.00 H new ATOM 0 HA THR A 14 3.229 -12.409 -1.919 1.00 0.00 H new ATOM 0 HB THR A 14 4.188 -12.440 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.477 -10.140 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.980 -12.420 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.907 -13.264 -3.885 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.266 -11.611 -4.035 1.00 0.00 H new ATOM 197 N CYS A 15 5.538 -10.207 -1.753 1.00 0.00 N ATOM 198 CA CYS A 15 6.978 -9.943 -1.714 1.00 0.00 C ATOM 199 C CYS A 15 7.443 -8.758 -0.810 1.00 0.00 C ATOM 200 O CYS A 15 6.730 -8.274 0.076 1.00 0.00 O ATOM 201 CB CYS A 15 7.466 -9.940 -3.187 1.00 0.00 C ATOM 202 SG CYS A 15 6.429 -8.879 -4.244 1.00 0.00 S ATOM 0 H CYS A 15 4.960 -9.422 -1.451 1.00 0.00 H new ATOM 0 HA CYS A 15 7.486 -10.739 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.499 -9.593 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.457 -10.959 -3.575 1.00 0.00 H new ATOM 0 HG CYS A 15 7.125 -7.860 -4.652 1.00 0.00 H new ATOM 207 N ASN A 16 8.715 -8.383 -0.972 1.00 0.00 N ATOM 208 CA ASN A 16 9.552 -7.690 0.016 1.00 0.00 C ATOM 209 C ASN A 16 9.110 -6.250 0.364 1.00 0.00 C ATOM 210 O ASN A 16 9.088 -5.866 1.533 1.00 0.00 O ATOM 211 CB ASN A 16 10.980 -7.716 -0.554 1.00 0.00 C ATOM 212 CG ASN A 16 12.033 -7.118 0.368 1.00 0.00 C ATOM 213 OD1 ASN A 16 11.947 -7.205 1.585 1.00 0.00 O ATOM 214 ND2 ASN A 16 13.059 -6.504 -0.185 1.00 0.00 N ATOM 0 H ASN A 16 9.217 -8.563 -1.842 1.00 0.00 H new ATOM 0 HA ASN A 16 9.467 -8.207 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.252 -8.748 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.991 -7.174 -1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.787 -6.098 0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.125 -6.435 -1.201 1.00 0.00 H new ATOM 221 N SER A 17 8.729 -5.452 -0.631 1.00 0.00 N ATOM 222 CA SER A 17 8.198 -4.093 -0.446 1.00 0.00 C ATOM 223 C SER A 17 6.669 -4.078 -0.226 1.00 0.00 C ATOM 224 O SER A 17 6.137 -3.097 0.303 1.00 0.00 O ATOM 225 CB SER A 17 8.622 -3.204 -1.629 1.00 0.00 C ATOM 226 OG SER A 17 7.888 -3.439 -2.826 1.00 0.00 O ATOM 0 H SER A 17 8.780 -5.733 -1.610 1.00 0.00 H new ATOM 0 HA SER A 17 8.628 -3.683 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.506 -2.158 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.682 -3.364 -1.828 1.00 0.00 H new ATOM 0 HG SER A 17 7.559 -2.587 -3.181 1.00 0.00 H new ATOM 232 N CYS A 18 5.974 -5.176 -0.565 1.00 0.00 N ATOM 233 CA CYS A 18 4.596 -5.444 -0.197 1.00 0.00 C ATOM 234 C CYS A 18 4.503 -5.563 1.347 1.00 0.00 C ATOM 235 O CYS A 18 3.845 -4.739 1.985 1.00 0.00 O ATOM 236 CB CYS A 18 4.131 -6.725 -0.942 1.00 0.00 C ATOM 237 SG CYS A 18 4.574 -6.783 -2.705 1.00 0.00 S ATOM 0 H CYS A 18 6.383 -5.924 -1.125 1.00 0.00 H new ATOM 0 HA CYS A 18 3.929 -4.634 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.561 -7.594 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.048 -6.809 -0.851 1.00 0.00 H new ATOM 0 HG CYS A 18 5.372 -7.786 -2.919 1.00 0.00 H new ATOM 242 N VAL A 19 5.204 -6.544 1.938 1.00 0.00 N ATOM 243 CA VAL A 19 5.119 -6.868 3.385 1.00 0.00 C ATOM 244 C VAL A 19 5.468 -5.684 4.300 1.00 0.00 C ATOM 245 O VAL A 19 4.791 -5.467 5.308 1.00 0.00 O ATOM 246 CB VAL A 19 5.956 -8.102 3.809 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.363 -9.393 3.226 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.452 -8.007 3.472 1.00 0.00 C ATOM 0 H VAL A 19 5.853 -7.143 1.428 1.00 0.00 H new ATOM 0 HA VAL A 19 4.066 -7.114 3.519 1.00 0.00 H new ATOM 0 HB VAL A 19 5.897 -8.123 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.968 -10.244 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.343 -9.521 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.357 -9.331 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.958 -8.913 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.576 -7.897 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.885 -7.144 3.977 1.00 0.00 H new ATOM 258 N TRP A 20 6.458 -4.866 3.911 1.00 0.00 N ATOM 259 CA TRP A 20 6.865 -3.651 4.630 1.00 0.00 C ATOM 260 C TRP A 20 5.685 -2.698 4.894 1.00 0.00 C ATOM 261 O TRP A 20 5.570 -2.106 5.971 1.00 0.00 O ATOM 262 CB TRP A 20 7.956 -2.958 3.793 1.00 0.00 C ATOM 263 CG TRP A 20 8.451 -1.649 4.333 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.562 -1.480 5.084 1.00 0.00 C ATOM 265 CD2 TRP A 20 7.875 -0.314 4.170 1.00 0.00 C ATOM 266 NE1 TRP A 20 9.690 -0.147 5.433 1.00 0.00 N ATOM 267 CE2 TRP A 20 8.683 0.617 4.886 1.00 0.00 C ATOM 268 CE3 TRP A 20 6.752 0.207 3.488 1.00 0.00 C ATOM 269 CZ2 TRP A 20 8.390 1.987 4.932 1.00 0.00 C ATOM 270 CZ3 TRP A 20 6.425 1.573 3.562 1.00 0.00 C ATOM 271 CH2 TRP A 20 7.242 2.464 4.278 1.00 0.00 C ATOM 0 H TRP A 20 7.009 -5.035 3.070 1.00 0.00 H new ATOM 0 HA TRP A 20 7.247 -3.927 5.613 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.804 -3.637 3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.568 -2.793 2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.246 -2.266 5.369 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.436 0.223 6.021 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.134 -0.455 2.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.039 2.667 5.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 5.539 1.940 3.065 1.00 0.00 H new ATOM 0 HH2 TRP A 20 6.988 3.513 4.325 1.00 0.00 H new ATOM 282 N THR A 21 4.781 -2.591 3.912 1.00 0.00 N ATOM 283 CA THR A 21 3.660 -1.642 3.888 1.00 0.00 C ATOM 284 C THR A 21 2.679 -1.903 5.027 1.00 0.00 C ATOM 285 O THR A 21 2.250 -0.957 5.689 1.00 0.00 O ATOM 286 CB THR A 21 2.967 -1.694 2.519 1.00 0.00 C ATOM 287 OG1 THR A 21 3.929 -1.548 1.491 1.00 0.00 O ATOM 288 CG2 THR A 21 1.981 -0.543 2.353 1.00 0.00 C ATOM 0 H THR A 21 4.811 -3.184 3.083 1.00 0.00 H new ATOM 0 HA THR A 21 4.051 -0.636 4.040 1.00 0.00 H new ATOM 0 HB THR A 21 2.448 -2.650 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.357 -2.413 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.507 -0.608 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.219 -0.602 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.511 0.405 2.437 1.00 0.00 H new ATOM 296 N ILE A 22 2.377 -3.173 5.307 1.00 0.00 N ATOM 297 CA ILE A 22 1.392 -3.566 6.330 1.00 0.00 C ATOM 298 C ILE A 22 1.893 -3.189 7.729 1.00 0.00 C ATOM 299 O ILE A 22 1.143 -2.605 8.511 1.00 0.00 O ATOM 300 CB ILE A 22 1.059 -5.082 6.252 1.00 0.00 C ATOM 301 CG1 ILE A 22 0.424 -5.563 4.921 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.069 -5.438 7.385 1.00 0.00 C ATOM 303 CD1 ILE A 22 1.285 -5.473 3.661 1.00 0.00 C ATOM 0 H ILE A 22 2.808 -3.965 4.831 1.00 0.00 H new ATOM 0 HA ILE A 22 0.470 -3.020 6.132 1.00 0.00 H new ATOM 0 HB ILE A 22 2.023 -5.584 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.120 -6.602 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.484 -4.984 4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.171 -6.500 7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.523 -5.210 8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.844 -4.855 7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.718 -5.841 2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.569 -4.435 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.182 -6.078 3.789 1.00 0.00 H new ATOM 315 N GLU A 23 3.158 -3.489 8.039 1.00 0.00 N ATOM 316 CA GLU A 23 3.761 -3.221 9.353 1.00 0.00 C ATOM 317 C GLU A 23 3.800 -1.718 9.671 1.00 0.00 C ATOM 318 O GLU A 23 3.648 -1.317 10.827 1.00 0.00 O ATOM 319 CB GLU A 23 5.167 -3.848 9.395 1.00 0.00 C ATOM 320 CG GLU A 23 5.760 -3.872 10.815 1.00 0.00 C ATOM 321 CD GLU A 23 6.853 -4.929 11.023 1.00 0.00 C ATOM 322 OE1 GLU A 23 7.772 -5.069 10.176 1.00 0.00 O ATOM 323 OE2 GLU A 23 6.812 -5.624 12.066 1.00 0.00 O ATOM 0 H GLU A 23 3.800 -3.929 7.380 1.00 0.00 H new ATOM 0 HA GLU A 23 3.142 -3.676 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.119 -4.866 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.831 -3.287 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.173 -2.889 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.956 -4.051 11.529 1.00 0.00 H new ATOM 330 N GLN A 24 3.957 -0.879 8.643 1.00 0.00 N ATOM 331 CA GLN A 24 3.858 0.578 8.768 1.00 0.00 C ATOM 332 C GLN A 24 2.417 1.058 8.997 1.00 0.00 C ATOM 333 O GLN A 24 2.216 1.890 9.881 1.00 0.00 O ATOM 334 CB GLN A 24 4.477 1.262 7.542 1.00 0.00 C ATOM 335 CG GLN A 24 6.003 1.089 7.470 1.00 0.00 C ATOM 336 CD GLN A 24 6.761 1.770 8.611 1.00 0.00 C ATOM 337 OE1 GLN A 24 6.599 2.955 8.883 1.00 0.00 O ATOM 338 NE2 GLN A 24 7.609 1.057 9.318 1.00 0.00 N ATOM 0 H GLN A 24 4.158 -1.194 7.694 1.00 0.00 H new ATOM 0 HA GLN A 24 4.422 0.863 9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.027 0.853 6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.237 2.325 7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.238 0.025 7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.359 1.489 6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.751 0.071 9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.125 1.490 10.084 1.00 0.00 H new ATOM 347 N GLN A 25 1.423 0.551 8.255 1.00 0.00 N ATOM 348 CA GLN A 25 0.020 0.965 8.415 1.00 0.00 C ATOM 349 C GLN A 25 -0.538 0.528 9.768 1.00 0.00 C ATOM 350 O GLN A 25 -1.157 1.324 10.472 1.00 0.00 O ATOM 351 CB GLN A 25 -0.854 0.357 7.296 1.00 0.00 C ATOM 352 CG GLN A 25 -2.364 0.633 7.409 1.00 0.00 C ATOM 353 CD GLN A 25 -2.799 2.098 7.405 1.00 0.00 C ATOM 354 OE1 GLN A 25 -2.045 3.009 7.085 1.00 0.00 O ATOM 355 NE2 GLN A 25 -4.035 2.399 7.746 1.00 0.00 N ATOM 0 H GLN A 25 1.566 -0.153 7.531 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.005 2.053 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.503 0.739 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.700 -0.722 7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.864 0.128 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.725 0.174 8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.684 1.660 8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.344 3.371 7.739 1.00 0.00 H new ATOM 364 N ILE A 26 -0.377 -0.753 10.111 1.00 0.00 N ATOM 365 CA ILE A 26 -0.982 -1.328 11.316 1.00 0.00 C ATOM 366 C ILE A 26 -0.282 -0.817 12.576 1.00 0.00 C ATOM 367 O ILE A 26 -0.960 -0.348 13.496 1.00 0.00 O ATOM 368 CB ILE A 26 -1.106 -2.865 11.161 1.00 0.00 C ATOM 369 CG1 ILE A 26 -2.603 -3.255 11.135 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.299 -3.675 12.196 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.857 -4.518 10.314 1.00 0.00 C ATOM 0 H ILE A 26 0.173 -1.417 9.566 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.008 -0.983 11.443 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.647 -3.135 10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.954 -3.410 12.155 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.184 -2.431 10.720 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.442 -4.740 12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.759 -3.430 12.105 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.643 -3.428 13.200 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.922 -4.751 10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.532 -4.355 9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.299 -5.350 10.744 1.00 0.00 H new ATOM 383 N GLY A 27 1.056 -0.801 12.592 1.00 0.00 N ATOM 384 CA GLY A 27 1.856 -0.240 13.689 1.00 0.00 C ATOM 385 C GLY A 27 1.617 1.252 13.942 1.00 0.00 C ATOM 386 O GLY A 27 1.956 1.751 15.013 1.00 0.00 O ATOM 0 H GLY A 27 1.622 -1.182 11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.636 -0.792 14.603 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.912 -0.395 13.469 1.00 0.00 H new ATOM 390 N LYS A 28 0.960 1.969 13.020 1.00 0.00 N ATOM 391 CA LYS A 28 0.524 3.355 13.233 1.00 0.00 C ATOM 392 C LYS A 28 -0.656 3.473 14.223 1.00 0.00 C ATOM 393 O LYS A 28 -0.802 4.497 14.892 1.00 0.00 O ATOM 394 CB LYS A 28 0.171 3.972 11.868 1.00 0.00 C ATOM 395 CG LYS A 28 0.280 5.499 11.923 1.00 0.00 C ATOM 396 CD LYS A 28 -0.105 6.181 10.610 1.00 0.00 C ATOM 397 CE LYS A 28 0.843 5.849 9.450 1.00 0.00 C ATOM 398 NZ LYS A 28 0.484 6.653 8.261 1.00 0.00 N ATOM 0 H LYS A 28 0.715 1.601 12.101 1.00 0.00 H new ATOM 0 HA LYS A 28 1.345 3.905 13.694 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.841 3.581 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.841 3.684 11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.362 5.874 12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.303 5.774 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.118 5.884 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.119 7.260 10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.873 6.054 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.784 4.787 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.130 6.423 7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.493 6.437 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.563 7.665 8.489 1.00 0.00 H new ATOM 412 N VAL A 29 -1.490 2.431 14.327 1.00 0.00 N ATOM 413 CA VAL A 29 -2.800 2.478 15.020 1.00 0.00 C ATOM 414 C VAL A 29 -2.691 2.421 16.560 1.00 0.00 C ATOM 415 O VAL A 29 -3.681 2.676 17.242 1.00 0.00 O ATOM 416 CB VAL A 29 -3.791 1.429 14.438 1.00 0.00 C ATOM 417 CG1 VAL A 29 -5.203 1.496 15.049 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.938 1.601 12.913 1.00 0.00 C ATOM 0 H VAL A 29 -1.279 1.516 13.930 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.220 3.462 14.814 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.354 0.463 14.692 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.834 0.734 14.592 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.143 1.321 16.123 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.633 2.481 14.865 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.636 0.857 12.528 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.316 2.600 12.694 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.967 1.468 12.437 1.00 0.00 H new ATOM 428 N ASN A 30 -1.510 2.120 17.120 1.00 0.00 N ATOM 429 CA ASN A 30 -1.176 2.083 18.560 1.00 0.00 C ATOM 430 C ASN A 30 -1.713 0.839 19.307 1.00 0.00 C ATOM 431 O ASN A 30 -1.214 0.506 20.382 1.00 0.00 O ATOM 432 CB ASN A 30 -1.662 3.373 19.248 1.00 0.00 C ATOM 433 CG ASN A 30 -1.004 3.620 20.593 1.00 0.00 C ATOM 434 OD1 ASN A 30 -1.611 3.435 21.641 1.00 0.00 O ATOM 435 ND2 ASN A 30 0.227 4.083 20.611 1.00 0.00 N ATOM 0 H ASN A 30 -0.704 1.879 16.543 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.090 2.012 18.614 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.465 4.222 18.593 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.742 3.319 19.384 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.681 4.290 21.501 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.728 4.235 19.735 1.00 0.00 H new ATOM 442 N GLY A 31 -2.727 0.155 18.756 1.00 0.00 N ATOM 443 CA GLY A 31 -3.418 -0.977 19.388 1.00 0.00 C ATOM 444 C GLY A 31 -2.830 -2.351 19.068 1.00 0.00 C ATOM 445 O GLY A 31 -3.020 -3.276 19.847 1.00 0.00 O ATOM 0 H GLY A 31 -3.098 0.381 17.833 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.404 -0.835 20.469 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.463 -0.964 19.079 1.00 0.00 H new ATOM 449 N VAL A 32 -2.142 -2.517 17.940 1.00 0.00 N ATOM 450 CA VAL A 32 -1.497 -3.798 17.571 1.00 0.00 C ATOM 451 C VAL A 32 -0.324 -4.133 18.510 1.00 0.00 C ATOM 452 O VAL A 32 0.588 -3.328 18.701 1.00 0.00 O ATOM 453 CB VAL A 32 -1.108 -3.856 16.081 1.00 0.00 C ATOM 454 CG1 VAL A 32 -0.370 -5.156 15.721 1.00 0.00 C ATOM 455 CG2 VAL A 32 -2.419 -3.759 15.275 1.00 0.00 C ATOM 0 H VAL A 32 -2.010 -1.777 17.251 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.241 -4.582 17.710 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.425 -3.039 15.851 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.117 -5.149 14.661 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.543 -5.231 16.311 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.012 -6.010 15.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.194 -3.796 14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.070 -4.593 15.538 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.921 -2.820 15.508 1.00 0.00 H new ATOM 465 N HIS A 33 -0.353 -5.344 19.074 1.00 0.00 N ATOM 466 CA HIS A 33 0.686 -5.900 19.949 1.00 0.00 C ATOM 467 C HIS A 33 1.779 -6.616 19.133 1.00 0.00 C ATOM 468 O HIS A 33 2.965 -6.451 19.420 1.00 0.00 O ATOM 469 CB HIS A 33 0.010 -6.864 20.945 1.00 0.00 C ATOM 470 CG HIS A 33 0.960 -7.710 21.765 1.00 0.00 C ATOM 471 ND1 HIS A 33 1.718 -7.291 22.833 1.00 0.00 N ATOM 472 CD2 HIS A 33 1.206 -9.050 21.605 1.00 0.00 C ATOM 473 CE1 HIS A 33 2.406 -8.350 23.297 1.00 0.00 C ATOM 474 NE2 HIS A 33 2.129 -9.455 22.578 1.00 0.00 N ATOM 0 H HIS A 33 -1.130 -5.989 18.929 1.00 0.00 H new ATOM 0 HA HIS A 33 1.180 -5.095 20.492 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.612 -6.282 21.625 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.656 -7.526 20.391 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.762 -9.687 20.854 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.089 -8.318 24.133 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.511 -10.391 22.714 1.00 0.00 H new ATOM 482 N HIS A 34 1.396 -7.377 18.099 1.00 0.00 N ATOM 483 CA HIS A 34 2.318 -8.119 17.234 1.00 0.00 C ATOM 484 C HIS A 34 1.689 -8.334 15.843 1.00 0.00 C ATOM 485 O HIS A 34 0.582 -8.871 15.745 1.00 0.00 O ATOM 486 CB HIS A 34 2.657 -9.463 17.909 1.00 0.00 C ATOM 487 CG HIS A 34 3.904 -10.148 17.397 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.954 -10.573 18.177 1.00 0.00 N ATOM 489 CD2 HIS A 34 4.200 -10.503 16.107 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.868 -11.147 17.379 1.00 0.00 C ATOM 491 NE2 HIS A 34 5.454 -11.132 16.100 1.00 0.00 N ATOM 0 H HIS A 34 0.417 -7.495 17.837 1.00 0.00 H new ATOM 0 HA HIS A 34 3.237 -7.551 17.093 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.769 -9.295 18.980 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.812 -10.139 17.779 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.575 -10.328 15.244 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.806 -11.563 17.717 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.950 -11.502 15.290 1.00 0.00 H new ATOM 499 N ILE A 35 2.388 -7.943 14.769 1.00 0.00 N ATOM 500 CA ILE A 35 1.989 -8.158 13.365 1.00 0.00 C ATOM 501 C ILE A 35 2.975 -9.109 12.677 1.00 0.00 C ATOM 502 O ILE A 35 4.187 -8.923 12.756 1.00 0.00 O ATOM 503 CB ILE A 35 1.851 -6.803 12.609 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.487 -6.970 11.110 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.040 -5.844 12.820 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.647 -7.070 10.103 1.00 0.00 C ATOM 0 H ILE A 35 3.278 -7.451 14.853 1.00 0.00 H new ATOM 0 HA ILE A 35 1.006 -8.629 13.344 1.00 0.00 H new ATOM 0 HB ILE A 35 0.996 -6.317 13.079 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.877 -7.868 11.010 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.862 -6.126 10.820 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.869 -4.924 12.262 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.137 -5.612 13.881 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.956 -6.317 12.467 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.246 -7.184 9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.251 -6.164 10.153 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.267 -7.933 10.346 1.00 0.00 H new ATOM 518 N LYS A 36 2.453 -10.102 11.958 1.00 0.00 N ATOM 519 CA LYS A 36 3.195 -10.976 11.034 1.00 0.00 C ATOM 520 C LYS A 36 2.459 -11.060 9.680 1.00 0.00 C ATOM 521 O LYS A 36 1.240 -11.217 9.652 1.00 0.00 O ATOM 522 CB LYS A 36 3.345 -12.360 11.702 1.00 0.00 C ATOM 523 CG LYS A 36 3.956 -13.462 10.812 1.00 0.00 C ATOM 524 CD LYS A 36 3.911 -14.825 11.521 1.00 0.00 C ATOM 525 CE LYS A 36 4.416 -15.951 10.607 1.00 0.00 C ATOM 526 NZ LYS A 36 4.260 -17.279 11.249 1.00 0.00 N ATOM 0 H LYS A 36 1.461 -10.334 12.001 1.00 0.00 H new ATOM 0 HA LYS A 36 4.187 -10.575 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.965 -12.250 12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.362 -12.691 12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.410 -13.519 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.988 -13.208 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.520 -14.787 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.889 -15.040 11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.866 -15.933 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.466 -15.783 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.610 -18.018 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.805 -17.303 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.255 -17.448 11.457 1.00 0.00 H new ATOM 540 N VAL A 37 3.175 -10.991 8.557 1.00 0.00 N ATOM 541 CA VAL A 37 2.623 -11.157 7.198 1.00 0.00 C ATOM 542 C VAL A 37 3.519 -12.072 6.356 1.00 0.00 C ATOM 543 O VAL A 37 4.727 -11.865 6.249 1.00 0.00 O ATOM 544 CB VAL A 37 2.357 -9.806 6.489 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.070 -9.167 7.020 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.504 -8.788 6.592 1.00 0.00 C ATOM 0 H VAL A 37 4.180 -10.814 8.560 1.00 0.00 H new ATOM 0 HA VAL A 37 1.650 -11.637 7.305 1.00 0.00 H new ATOM 0 HB VAL A 37 2.263 -10.057 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.898 -8.218 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.229 -9.835 6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.166 -8.992 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.227 -7.874 6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.695 -8.560 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.404 -9.207 6.142 1.00 0.00 H new ATOM 556 N SER A 38 2.913 -13.124 5.801 1.00 0.00 N ATOM 557 CA SER A 38 3.616 -14.278 5.225 1.00 0.00 C ATOM 558 C SER A 38 3.538 -14.297 3.687 1.00 0.00 C ATOM 559 O SER A 38 2.552 -14.761 3.106 1.00 0.00 O ATOM 560 CB SER A 38 3.053 -15.580 5.808 1.00 0.00 C ATOM 561 OG SER A 38 3.173 -15.619 7.223 1.00 0.00 O ATOM 0 H SER A 38 1.898 -13.201 5.737 1.00 0.00 H new ATOM 0 HA SER A 38 4.669 -14.189 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.004 -15.680 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.580 -16.430 5.375 1.00 0.00 H new ATOM 0 HG SER A 38 2.803 -16.462 7.560 1.00 0.00 H new ATOM 567 N LEU A 39 4.587 -13.804 3.018 1.00 0.00 N ATOM 568 CA LEU A 39 4.615 -13.509 1.576 1.00 0.00 C ATOM 569 C LEU A 39 4.419 -14.730 0.664 1.00 0.00 C ATOM 570 O LEU A 39 3.877 -14.602 -0.432 1.00 0.00 O ATOM 571 CB LEU A 39 5.923 -12.749 1.271 1.00 0.00 C ATOM 572 CG LEU A 39 7.219 -13.595 1.289 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.626 -14.079 -0.112 1.00 0.00 C ATOM 574 CD2 LEU A 39 8.375 -12.776 1.879 1.00 0.00 C ATOM 0 H LEU A 39 5.471 -13.591 3.479 1.00 0.00 H new ATOM 0 HA LEU A 39 3.750 -12.889 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.830 -12.284 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.029 -11.943 1.997 1.00 0.00 H new ATOM 0 HG LEU A 39 7.012 -14.470 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.541 -14.667 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.830 -14.695 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.797 -13.218 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.282 -13.380 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.538 -11.886 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.128 -12.479 2.898 1.00 0.00 H new ATOM 586 N GLU A 40 4.833 -15.914 1.120 1.00 0.00 N ATOM 587 CA GLU A 40 4.747 -17.173 0.371 1.00 0.00 C ATOM 588 C GLU A 40 3.579 -18.068 0.820 1.00 0.00 C ATOM 589 O GLU A 40 3.422 -19.191 0.336 1.00 0.00 O ATOM 590 CB GLU A 40 6.092 -17.907 0.416 1.00 0.00 C ATOM 591 CG GLU A 40 6.532 -18.477 1.770 1.00 0.00 C ATOM 592 CD GLU A 40 6.978 -17.405 2.760 1.00 0.00 C ATOM 593 OE1 GLU A 40 6.113 -16.864 3.488 1.00 0.00 O ATOM 594 OE2 GLU A 40 8.193 -17.097 2.813 1.00 0.00 O ATOM 0 H GLU A 40 5.248 -16.028 2.044 1.00 0.00 H new ATOM 0 HA GLU A 40 4.526 -16.920 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.053 -18.728 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.864 -17.219 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.707 -19.042 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.351 -19.179 1.612 1.00 0.00 H new ATOM 601 N GLU A 41 2.760 -17.578 1.749 1.00 0.00 N ATOM 602 CA GLU A 41 1.562 -18.260 2.257 1.00 0.00 C ATOM 603 C GLU A 41 0.276 -17.430 2.091 1.00 0.00 C ATOM 604 O GLU A 41 -0.815 -17.959 2.306 1.00 0.00 O ATOM 605 CB GLU A 41 1.764 -18.656 3.731 1.00 0.00 C ATOM 606 CG GLU A 41 3.030 -19.504 3.925 1.00 0.00 C ATOM 607 CD GLU A 41 3.129 -20.108 5.320 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.285 -20.960 5.683 1.00 0.00 O ATOM 609 OE2 GLU A 41 4.084 -19.767 6.060 1.00 0.00 O ATOM 0 H GLU A 41 2.913 -16.668 2.185 1.00 0.00 H new ATOM 0 HA GLU A 41 1.428 -19.157 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.832 -17.757 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.895 -19.214 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.042 -20.305 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.908 -18.885 3.739 1.00 0.00 H new ATOM 616 N LYS A 42 0.369 -16.149 1.703 1.00 0.00 N ATOM 617 CA LYS A 42 -0.774 -15.248 1.471 1.00 0.00 C ATOM 618 C LYS A 42 -1.691 -15.106 2.704 1.00 0.00 C ATOM 619 O LYS A 42 -2.911 -14.974 2.595 1.00 0.00 O ATOM 620 CB LYS A 42 -1.510 -15.618 0.159 1.00 0.00 C ATOM 621 CG LYS A 42 -0.727 -15.112 -1.061 1.00 0.00 C ATOM 622 CD LYS A 42 -1.475 -15.402 -2.368 1.00 0.00 C ATOM 623 CE LYS A 42 -0.760 -14.688 -3.521 1.00 0.00 C ATOM 624 NZ LYS A 42 -1.385 -14.976 -4.833 1.00 0.00 N ATOM 0 H LYS A 42 1.268 -15.696 1.537 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.384 -14.241 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.632 -16.699 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.510 -15.184 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.558 -14.039 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.253 -15.587 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.508 -16.476 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.507 -15.059 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.772 -13.613 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.286 -14.995 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.868 -14.472 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.351 -15.999 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.376 -14.659 -4.823 1.00 0.00 H new ATOM 638 N ASN A 43 -1.115 -15.073 3.910 1.00 0.00 N ATOM 639 CA ASN A 43 -1.854 -14.759 5.138 1.00 0.00 C ATOM 640 C ASN A 43 -1.119 -13.779 6.061 1.00 0.00 C ATOM 641 O ASN A 43 0.095 -13.594 5.981 1.00 0.00 O ATOM 642 CB ASN A 43 -2.315 -16.036 5.860 1.00 0.00 C ATOM 643 CG ASN A 43 -1.175 -16.850 6.458 1.00 0.00 C ATOM 644 OD1 ASN A 43 -0.526 -16.435 7.410 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.903 -18.024 5.931 1.00 0.00 N ATOM 0 H ASN A 43 -0.125 -15.263 4.063 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.753 -14.225 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.009 -15.762 6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.865 -16.661 5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.149 -18.593 6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.446 -18.365 5.138 1.00 0.00 H new ATOM 652 N ALA A 44 -1.916 -13.139 6.911 1.00 0.00 N ATOM 653 CA ALA A 44 -1.588 -12.059 7.820 1.00 0.00 C ATOM 654 C ALA A 44 -2.054 -12.464 9.234 1.00 0.00 C ATOM 655 O ALA A 44 -3.259 -12.579 9.476 1.00 0.00 O ATOM 656 CB ALA A 44 -2.323 -10.822 7.260 1.00 0.00 C ATOM 0 H ALA A 44 -2.901 -13.392 6.983 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.523 -11.840 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.123 -9.960 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.971 -10.616 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.396 -11.015 7.238 1.00 0.00 H new ATOM 662 N THR A 45 -1.105 -12.728 10.143 1.00 0.00 N ATOM 663 CA THR A 45 -1.332 -13.211 11.521 1.00 0.00 C ATOM 664 C THR A 45 -1.102 -12.061 12.489 1.00 0.00 C ATOM 665 O THR A 45 -0.074 -11.392 12.412 1.00 0.00 O ATOM 666 CB THR A 45 -0.366 -14.351 11.864 1.00 0.00 C ATOM 667 OG1 THR A 45 -0.433 -15.359 10.889 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.680 -14.996 13.211 1.00 0.00 C ATOM 0 H THR A 45 -0.114 -12.607 9.933 1.00 0.00 H new ATOM 0 HA THR A 45 -2.354 -13.582 11.600 1.00 0.00 H new ATOM 0 HB THR A 45 0.628 -13.905 11.904 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.190 -16.079 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.033 -15.797 13.406 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.608 -14.246 13.999 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.690 -15.406 13.192 1.00 0.00 H new ATOM 676 N ILE A 46 -2.023 -11.815 13.419 1.00 0.00 N ATOM 677 CA ILE A 46 -1.978 -10.597 14.240 1.00 0.00 C ATOM 678 C ILE A 46 -2.587 -10.765 15.637 1.00 0.00 C ATOM 679 O ILE A 46 -3.559 -11.505 15.842 1.00 0.00 O ATOM 680 CB ILE A 46 -2.572 -9.422 13.422 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.313 -8.054 14.085 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.064 -9.615 13.099 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.562 -6.887 13.128 1.00 0.00 C ATOM 0 H ILE A 46 -2.806 -12.435 13.625 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.937 -10.365 14.465 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.040 -9.427 12.471 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.957 -7.948 14.958 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.284 -8.015 14.442 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.425 -8.762 12.525 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.195 -10.526 12.516 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.630 -9.694 14.027 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.366 -5.946 13.643 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.899 -6.975 12.267 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.599 -6.907 12.792 1.00 0.00 H new ATOM 695 N ILE A 47 -1.987 -10.063 16.601 1.00 0.00 N ATOM 696 CA ILE A 47 -2.536 -9.843 17.950 1.00 0.00 C ATOM 697 C ILE A 47 -2.644 -8.338 18.225 1.00 0.00 C ATOM 698 O ILE A 47 -1.689 -7.591 17.999 1.00 0.00 O ATOM 699 CB ILE A 47 -1.681 -10.544 19.036 1.00 0.00 C ATOM 700 CG1 ILE A 47 -1.638 -12.078 18.836 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.246 -10.217 20.431 1.00 0.00 C ATOM 702 CD1 ILE A 47 -0.953 -12.852 19.976 1.00 0.00 C ATOM 0 H ILE A 47 -1.080 -9.617 16.465 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.531 -10.285 17.992 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.661 -10.170 18.949 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.658 -12.446 18.726 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.118 -12.295 17.903 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.643 -10.711 21.193 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.220 -9.139 20.591 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.275 -10.569 20.498 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.968 -13.919 19.752 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.079 -12.517 20.074 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.484 -12.670 20.910 1.00 0.00 H new ATOM 714 N TYR A 48 -3.782 -7.904 18.771 1.00 0.00 N ATOM 715 CA TYR A 48 -4.101 -6.499 19.054 1.00 0.00 C ATOM 716 C TYR A 48 -4.941 -6.298 20.332 1.00 0.00 C ATOM 717 O TYR A 48 -5.692 -7.183 20.734 1.00 0.00 O ATOM 718 CB TYR A 48 -4.831 -5.925 17.830 1.00 0.00 C ATOM 719 CG TYR A 48 -6.170 -6.579 17.517 1.00 0.00 C ATOM 720 CD1 TYR A 48 -7.343 -6.120 18.148 1.00 0.00 C ATOM 721 CD2 TYR A 48 -6.246 -7.650 16.602 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.584 -6.721 17.870 1.00 0.00 C ATOM 723 CE2 TYR A 48 -7.484 -8.261 16.321 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.658 -7.796 16.957 1.00 0.00 C ATOM 725 OH TYR A 48 -9.859 -8.380 16.700 1.00 0.00 O ATOM 0 H TYR A 48 -4.533 -8.540 19.038 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.166 -5.971 19.241 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.992 -4.859 17.988 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.183 -6.024 16.959 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.289 -5.301 18.850 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.350 -8.004 16.114 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.480 -6.361 18.354 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.536 -9.082 15.622 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.863 -8.730 15.785 1.00 0.00 H new ATOM 735 N ASP A 49 -4.855 -5.110 20.938 1.00 0.00 N ATOM 736 CA ASP A 49 -5.722 -4.657 22.030 1.00 0.00 C ATOM 737 C ASP A 49 -7.072 -4.170 21.457 1.00 0.00 C ATOM 738 O ASP A 49 -7.093 -3.174 20.717 1.00 0.00 O ATOM 739 CB ASP A 49 -5.019 -3.538 22.821 1.00 0.00 C ATOM 740 CG ASP A 49 -5.717 -3.168 24.138 1.00 0.00 C ATOM 741 OD1 ASP A 49 -6.952 -3.337 24.272 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.003 -2.705 25.060 1.00 0.00 O ATOM 0 H ASP A 49 -4.157 -4.415 20.673 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.919 -5.485 22.711 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.997 -3.848 23.039 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.955 -2.649 22.194 1.00 0.00 H new ATOM 747 N PRO A 50 -8.201 -4.836 21.773 1.00 0.00 N ATOM 748 CA PRO A 50 -9.494 -4.539 21.162 1.00 0.00 C ATOM 749 C PRO A 50 -10.062 -3.170 21.558 1.00 0.00 C ATOM 750 O PRO A 50 -10.975 -2.690 20.893 1.00 0.00 O ATOM 751 CB PRO A 50 -10.414 -5.693 21.574 1.00 0.00 C ATOM 752 CG PRO A 50 -9.811 -6.184 22.887 1.00 0.00 C ATOM 753 CD PRO A 50 -8.316 -5.973 22.676 1.00 0.00 C ATOM 0 HA PRO A 50 -9.396 -4.466 20.079 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.443 -5.358 21.706 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.430 -6.481 20.821 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.183 -5.616 23.740 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.049 -7.231 23.074 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.812 -5.774 23.622 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.852 -6.861 22.248 1.00 0.00 H new ATOM 761 N LYS A 51 -9.520 -2.498 22.584 1.00 0.00 N ATOM 762 CA LYS A 51 -9.937 -1.136 22.952 1.00 0.00 C ATOM 763 C LYS A 51 -9.507 -0.068 21.930 1.00 0.00 C ATOM 764 O LYS A 51 -10.154 0.972 21.822 1.00 0.00 O ATOM 765 CB LYS A 51 -9.375 -0.803 24.343 1.00 0.00 C ATOM 766 CG LYS A 51 -10.021 -1.675 25.428 1.00 0.00 C ATOM 767 CD LYS A 51 -9.537 -1.297 26.833 1.00 0.00 C ATOM 768 CE LYS A 51 -8.052 -1.593 27.096 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.741 -3.035 26.970 1.00 0.00 N ATOM 0 H LYS A 51 -8.785 -2.880 23.179 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.027 -1.118 22.962 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.295 -0.954 24.347 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.551 0.249 24.566 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.105 -1.572 25.378 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.791 -2.723 25.235 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.716 -0.234 26.992 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.137 -1.834 27.567 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.440 -1.028 26.393 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.786 -1.251 28.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.975 -3.284 27.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.588 -3.594 27.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.442 -3.242 25.996 1.00 0.00 H new ATOM 783 N LEU A 52 -8.419 -0.315 21.188 1.00 0.00 N ATOM 784 CA LEU A 52 -7.861 0.603 20.184 1.00 0.00 C ATOM 785 C LEU A 52 -7.945 0.058 18.747 1.00 0.00 C ATOM 786 O LEU A 52 -7.774 0.829 17.798 1.00 0.00 O ATOM 787 CB LEU A 52 -6.396 0.885 20.568 1.00 0.00 C ATOM 788 CG LEU A 52 -6.194 1.583 21.931 1.00 0.00 C ATOM 789 CD1 LEU A 52 -4.691 1.682 22.217 1.00 0.00 C ATOM 790 CD2 LEU A 52 -6.829 2.982 21.970 1.00 0.00 C ATOM 0 H LEU A 52 -7.888 -1.182 21.271 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.455 1.517 20.186 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.852 -0.059 20.578 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.947 1.504 19.791 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.692 0.987 22.696 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.535 2.173 23.177 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.260 0.681 22.247 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.208 2.262 21.430 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.660 3.431 22.949 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.378 3.608 21.200 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.901 2.900 21.789 1.00 0.00 H new ATOM 802 N GLN A 53 -8.182 -1.247 18.576 1.00 0.00 N ATOM 803 CA GLN A 53 -8.208 -1.937 17.285 1.00 0.00 C ATOM 804 C GLN A 53 -9.509 -2.722 17.051 1.00 0.00 C ATOM 805 O GLN A 53 -10.238 -3.059 17.989 1.00 0.00 O ATOM 806 CB GLN A 53 -6.975 -2.859 17.182 1.00 0.00 C ATOM 807 CG GLN A 53 -5.788 -2.200 16.460 1.00 0.00 C ATOM 808 CD GLN A 53 -6.026 -2.064 14.955 1.00 0.00 C ATOM 809 OE1 GLN A 53 -7.138 -2.160 14.467 1.00 0.00 O ATOM 810 NE2 GLN A 53 -5.008 -1.831 14.154 1.00 0.00 N ATOM 0 H GLN A 53 -8.367 -1.872 19.361 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.173 -1.182 16.499 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.665 -3.154 18.184 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.254 -3.771 16.653 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.608 -1.214 16.888 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.888 -2.791 16.631 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.067 -1.746 14.537 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.161 -1.735 13.150 1.00 0.00 H new ATOM 819 N THR A 54 -9.779 -3.021 15.772 1.00 0.00 N ATOM 820 CA THR A 54 -10.956 -3.762 15.287 1.00 0.00 C ATOM 821 C THR A 54 -10.593 -4.606 14.066 1.00 0.00 C ATOM 822 O THR A 54 -9.699 -4.215 13.310 1.00 0.00 O ATOM 823 CB THR A 54 -12.112 -2.830 14.887 1.00 0.00 C ATOM 824 OG1 THR A 54 -11.648 -1.813 14.035 1.00 0.00 O ATOM 825 CG2 THR A 54 -12.819 -2.218 16.088 1.00 0.00 C ATOM 0 H THR A 54 -9.157 -2.742 15.013 1.00 0.00 H new ATOM 0 HA THR A 54 -11.279 -4.393 16.115 1.00 0.00 H new ATOM 0 HB THR A 54 -12.843 -3.445 14.362 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.082 -0.966 14.270 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.625 -1.570 15.744 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.232 -3.012 16.711 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.107 -1.633 16.670 1.00 0.00 H new ATOM 833 N PRO A 55 -11.316 -5.712 13.800 1.00 0.00 N ATOM 834 CA PRO A 55 -11.120 -6.483 12.579 1.00 0.00 C ATOM 835 C PRO A 55 -11.436 -5.642 11.330 1.00 0.00 C ATOM 836 O PRO A 55 -10.746 -5.778 10.323 1.00 0.00 O ATOM 837 CB PRO A 55 -11.994 -7.731 12.732 1.00 0.00 C ATOM 838 CG PRO A 55 -13.086 -7.312 13.716 1.00 0.00 C ATOM 839 CD PRO A 55 -12.404 -6.265 14.599 1.00 0.00 C ATOM 0 HA PRO A 55 -10.081 -6.780 12.435 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.417 -8.039 11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.419 -8.575 13.113 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.951 -6.897 13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.442 -8.159 14.303 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.107 -5.486 14.894 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.025 -6.715 15.516 1.00 0.00 H new ATOM 847 N LYS A 56 -12.379 -4.691 11.407 1.00 0.00 N ATOM 848 CA LYS A 56 -12.594 -3.666 10.374 1.00 0.00 C ATOM 849 C LYS A 56 -11.322 -2.861 10.055 1.00 0.00 C ATOM 850 O LYS A 56 -10.966 -2.728 8.884 1.00 0.00 O ATOM 851 CB LYS A 56 -13.760 -2.778 10.846 1.00 0.00 C ATOM 852 CG LYS A 56 -14.113 -1.566 9.961 1.00 0.00 C ATOM 853 CD LYS A 56 -13.312 -0.275 10.209 1.00 0.00 C ATOM 854 CE LYS A 56 -13.384 0.218 11.662 1.00 0.00 C ATOM 855 NZ LYS A 56 -12.575 1.442 11.862 1.00 0.00 N ATOM 0 H LYS A 56 -13.020 -4.611 12.196 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.849 -4.142 9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.648 -3.403 10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.525 -2.412 11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.979 -1.855 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.171 -1.342 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.269 -0.446 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.685 0.508 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.422 0.419 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.030 -0.566 12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.961 1.987 12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.590 1.178 12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.604 2.022 10.999 1.00 0.00 H new ATOM 869 N THR A 57 -10.605 -2.340 11.062 1.00 0.00 N ATOM 870 CA THR A 57 -9.368 -1.550 10.867 1.00 0.00 C ATOM 871 C THR A 57 -8.223 -2.399 10.312 1.00 0.00 C ATOM 872 O THR A 57 -7.414 -1.884 9.538 1.00 0.00 O ATOM 873 CB THR A 57 -8.998 -0.864 12.181 1.00 0.00 C ATOM 874 OG1 THR A 57 -10.006 0.079 12.450 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.670 -0.102 12.157 1.00 0.00 C ATOM 0 H THR A 57 -10.864 -2.452 12.042 1.00 0.00 H new ATOM 0 HA THR A 57 -9.554 -0.784 10.114 1.00 0.00 H new ATOM 0 HB THR A 57 -8.898 -1.650 12.929 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.707 -0.338 12.994 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.493 0.351 13.133 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.859 -0.792 11.924 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.712 0.678 11.397 1.00 0.00 H new ATOM 883 N LEU A 58 -8.191 -3.699 10.630 1.00 0.00 N ATOM 884 CA LEU A 58 -7.268 -4.679 10.045 1.00 0.00 C ATOM 885 C LEU A 58 -7.538 -4.878 8.545 1.00 0.00 C ATOM 886 O LEU A 58 -6.610 -4.765 7.749 1.00 0.00 O ATOM 887 CB LEU A 58 -7.389 -6.003 10.829 1.00 0.00 C ATOM 888 CG LEU A 58 -6.397 -6.211 11.992 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.227 -5.013 12.934 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.851 -7.426 12.815 1.00 0.00 C ATOM 0 H LEU A 58 -8.822 -4.109 11.319 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.246 -4.309 10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.401 -6.071 11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.268 -6.827 10.126 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.423 -6.358 11.526 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.509 -5.263 13.715 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.864 -4.155 12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.187 -4.768 13.388 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.158 -7.585 13.641 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.851 -7.245 13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.866 -8.311 12.179 1.00 0.00 H new ATOM 902 N GLN A 59 -8.791 -5.125 8.150 1.00 0.00 N ATOM 903 CA GLN A 59 -9.204 -5.165 6.737 1.00 0.00 C ATOM 904 C GLN A 59 -8.866 -3.846 6.015 1.00 0.00 C ATOM 905 O GLN A 59 -8.250 -3.868 4.948 1.00 0.00 O ATOM 906 CB GLN A 59 -10.717 -5.435 6.635 1.00 0.00 C ATOM 907 CG GLN A 59 -11.163 -6.802 7.173 1.00 0.00 C ATOM 908 CD GLN A 59 -12.688 -6.925 7.166 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.381 -6.607 8.127 1.00 0.00 O ATOM 910 NE2 GLN A 59 -13.275 -7.372 6.081 1.00 0.00 N ATOM 0 H GLN A 59 -9.554 -5.304 8.803 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.654 -5.972 6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.249 -4.655 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.017 -5.356 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.728 -7.595 6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.789 -6.937 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.715 -7.641 5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.291 -7.450 6.046 1.00 0.00 H new ATOM 919 N GLU A 60 -9.211 -2.702 6.619 1.00 0.00 N ATOM 920 CA GLU A 60 -8.973 -1.360 6.083 1.00 0.00 C ATOM 921 C GLU A 60 -7.490 -1.088 5.777 1.00 0.00 C ATOM 922 O GLU A 60 -7.203 -0.340 4.841 1.00 0.00 O ATOM 923 CB GLU A 60 -9.524 -0.322 7.077 1.00 0.00 C ATOM 924 CG GLU A 60 -9.466 1.111 6.538 1.00 0.00 C ATOM 925 CD GLU A 60 -9.883 2.132 7.588 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.089 2.386 8.524 1.00 0.00 O ATOM 927 OE2 GLU A 60 -10.989 2.707 7.451 1.00 0.00 O ATOM 0 H GLU A 60 -9.679 -2.687 7.525 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.494 -1.284 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.557 -0.572 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.956 -0.379 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.453 1.331 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.118 1.198 5.669 1.00 0.00 H new ATOM 934 N ALA A 61 -6.551 -1.696 6.514 1.00 0.00 N ATOM 935 CA ALA A 61 -5.116 -1.545 6.259 1.00 0.00 C ATOM 936 C ALA A 61 -4.662 -2.227 4.959 1.00 0.00 C ATOM 937 O ALA A 61 -3.719 -1.761 4.323 1.00 0.00 O ATOM 938 CB ALA A 61 -4.328 -2.088 7.461 1.00 0.00 C ATOM 0 H ALA A 61 -6.767 -2.306 7.303 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.914 -0.482 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.260 -1.978 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.600 -1.530 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.564 -3.142 7.605 1.00 0.00 H new ATOM 944 N ILE A 62 -5.314 -3.321 4.559 1.00 0.00 N ATOM 945 CA ILE A 62 -5.099 -3.987 3.263 1.00 0.00 C ATOM 946 C ILE A 62 -5.708 -3.175 2.109 1.00 0.00 C ATOM 947 O ILE A 62 -5.169 -3.126 1.006 1.00 0.00 O ATOM 948 CB ILE A 62 -5.664 -5.428 3.314 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.288 -6.223 4.589 1.00 0.00 C ATOM 950 CG2 ILE A 62 -5.222 -6.204 2.066 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.805 -6.180 4.983 1.00 0.00 C ATOM 0 H ILE A 62 -6.020 -3.781 5.134 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.028 -4.046 3.072 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.748 -5.321 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.878 -5.840 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.577 -7.264 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.622 -7.217 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.596 -5.702 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.133 -6.245 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.652 -6.768 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.202 -6.594 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.507 -5.148 5.166 1.00 0.00 H new ATOM 963 N ASP A 63 -6.853 -2.544 2.365 1.00 0.00 N ATOM 964 CA ASP A 63 -7.508 -1.588 1.467 1.00 0.00 C ATOM 965 C ASP A 63 -6.794 -0.215 1.376 1.00 0.00 C ATOM 966 O ASP A 63 -7.019 0.524 0.416 1.00 0.00 O ATOM 967 CB ASP A 63 -8.966 -1.476 1.939 1.00 0.00 C ATOM 968 CG ASP A 63 -9.790 -0.430 1.197 1.00 0.00 C ATOM 969 OD1 ASP A 63 -9.779 -0.405 -0.057 1.00 0.00 O ATOM 970 OD2 ASP A 63 -10.459 0.372 1.889 1.00 0.00 O ATOM 0 H ASP A 63 -7.370 -2.688 3.233 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.459 -1.953 0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.447 -2.447 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.973 -1.239 3.003 1.00 0.00 H new ATOM 975 N ASP A 64 -5.935 0.138 2.342 1.00 0.00 N ATOM 976 CA ASP A 64 -5.238 1.436 2.421 1.00 0.00 C ATOM 977 C ASP A 64 -4.350 1.714 1.198 1.00 0.00 C ATOM 978 O ASP A 64 -4.203 2.869 0.811 1.00 0.00 O ATOM 979 CB ASP A 64 -4.428 1.519 3.726 1.00 0.00 C ATOM 980 CG ASP A 64 -3.773 2.889 3.925 1.00 0.00 C ATOM 981 OD1 ASP A 64 -4.462 3.837 4.380 1.00 0.00 O ATOM 982 OD2 ASP A 64 -2.561 3.017 3.646 1.00 0.00 O ATOM 0 H ASP A 64 -5.697 -0.486 3.113 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.001 2.214 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.084 1.308 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.657 0.749 3.721 1.00 0.00 H new ATOM 987 N MET A 65 -3.849 0.661 0.542 1.00 0.00 N ATOM 988 CA MET A 65 -3.297 0.710 -0.819 1.00 0.00 C ATOM 989 C MET A 65 -4.214 -0.055 -1.794 1.00 0.00 C ATOM 990 O MET A 65 -5.326 0.407 -2.066 1.00 0.00 O ATOM 991 CB MET A 65 -1.792 0.348 -0.844 1.00 0.00 C ATOM 992 CG MET A 65 -1.308 -0.736 0.131 1.00 0.00 C ATOM 993 SD MET A 65 -2.002 -2.392 -0.061 1.00 0.00 S ATOM 994 CE MET A 65 -1.715 -2.970 1.627 1.00 0.00 C ATOM 0 H MET A 65 -3.815 -0.272 0.952 1.00 0.00 H new ATOM 0 HA MET A 65 -3.299 1.734 -1.191 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.539 0.028 -1.855 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.224 1.257 -0.646 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.224 -0.812 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.520 -0.397 1.145 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.109 -3.980 1.738 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.645 -2.974 1.833 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.217 -2.305 2.330 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.783 -1.191 -2.351 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.556 -1.973 -3.324 1.00 0.00 C ATOM 1006 C GLY A 66 -4.278 -3.473 -3.287 1.00 0.00 C ATOM 1007 O GLY A 66 -3.956 -4.049 -4.325 1.00 0.00 O ATOM 0 H GLY A 66 -2.874 -1.600 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.618 -1.808 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.341 -1.600 -4.325 1.00 0.00 H new ATOM 1011 N PHE A 67 -4.456 -4.101 -2.121 1.00 0.00 N ATOM 1012 CA PHE A 67 -4.500 -5.560 -1.956 1.00 0.00 C ATOM 1013 C PHE A 67 -5.914 -6.023 -1.536 1.00 0.00 C ATOM 1014 O PHE A 67 -6.816 -5.215 -1.294 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.403 -6.000 -0.959 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.944 -5.873 -1.390 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -1.549 -5.948 -2.741 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -0.949 -5.725 -0.402 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.192 -5.845 -3.096 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.407 -5.601 -0.757 1.00 0.00 C ATOM 1021 CZ PHE A 67 0.787 -5.658 -2.108 1.00 0.00 C ATOM 0 H PHE A 67 -4.577 -3.597 -1.242 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.292 -6.045 -2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.532 -5.420 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.585 -7.044 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.295 -6.086 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.231 -5.707 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.098 -5.910 -4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.155 -5.462 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.826 -5.559 -2.385 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.111 -7.341 -1.457 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.384 -8.002 -1.134 1.00 0.00 C ATOM 1033 C ASP A 68 -7.195 -8.924 0.072 1.00 0.00 C ATOM 1034 O ASP A 68 -6.108 -9.477 0.248 1.00 0.00 O ATOM 1035 CB ASP A 68 -7.858 -8.850 -2.329 1.00 0.00 C ATOM 1036 CG ASP A 68 -8.697 -8.070 -3.337 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -9.839 -7.688 -2.980 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -8.240 -7.925 -4.496 1.00 0.00 O ATOM 0 H ASP A 68 -5.357 -8.008 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.126 -7.236 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.988 -9.265 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.442 -9.692 -1.957 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.247 -9.129 0.873 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.174 -9.947 2.085 1.00 0.00 C ATOM 1045 C ALA A 69 -9.519 -10.544 2.532 1.00 0.00 C ATOM 1046 O ALA A 69 -10.579 -9.995 2.225 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.542 -9.102 3.198 1.00 0.00 C ATOM 0 H ALA A 69 -9.170 -8.733 0.698 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.557 -10.816 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.478 -9.693 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.542 -8.792 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.157 -8.220 3.379 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.454 -11.643 3.292 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.595 -12.421 3.811 1.00 0.00 C ATOM 1055 C VAL A 70 -10.239 -12.981 5.196 1.00 0.00 C ATOM 1056 O VAL A 70 -9.171 -13.565 5.370 1.00 0.00 O ATOM 1057 CB VAL A 70 -10.951 -13.595 2.861 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.169 -14.382 3.371 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.247 -13.126 1.424 1.00 0.00 C ATOM 0 H VAL A 70 -8.559 -12.038 3.579 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.459 -11.760 3.880 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.070 -14.236 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.390 -15.197 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.951 -14.791 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.030 -13.717 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.490 -13.988 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.091 -12.436 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.370 -12.622 1.018 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.107 -12.807 6.199 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.857 -13.273 7.582 1.00 0.00 C ATOM 1071 C ILE A 71 -10.912 -14.805 7.669 1.00 0.00 C ATOM 1072 O ILE A 71 -11.805 -15.419 7.076 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.824 -12.577 8.575 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.553 -11.050 8.580 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.686 -13.177 9.988 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.495 -10.219 9.458 1.00 0.00 C ATOM 0 H ILE A 71 -12.006 -12.339 6.082 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.846 -12.987 7.872 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.851 -12.747 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.529 -10.881 8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.620 -10.683 7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.374 -12.673 10.666 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.922 -14.241 9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.664 -13.043 10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.221 -9.166 9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.521 -10.349 9.115 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.414 -10.550 10.493 1.00 0.00 H new ATOM 1088 N HIS A 72 -9.973 -15.426 8.398 1.00 0.00 N ATOM 1089 CA HIS A 72 -9.818 -16.883 8.403 1.00 0.00 C ATOM 1090 C HIS A 72 -9.221 -17.445 9.709 1.00 0.00 C ATOM 1091 O HIS A 72 -8.165 -16.994 10.155 1.00 0.00 O ATOM 1092 CB HIS A 72 -8.921 -17.259 7.214 1.00 0.00 C ATOM 1093 CG HIS A 72 -8.984 -18.727 6.919 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -7.981 -19.660 7.047 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -10.102 -19.383 6.504 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -8.481 -20.851 6.678 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -9.780 -20.734 6.332 1.00 0.00 N ATOM 0 H HIS A 72 -9.307 -14.935 8.995 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.811 -17.325 8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.229 -16.696 6.333 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.891 -16.974 7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.071 -18.937 6.336 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.921 -21.774 6.661 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.400 -21.478 6.011 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.852 -18.464 10.307 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.358 -19.170 11.504 1.00 0.00 C ATOM 1107 C ASN A 73 -8.440 -20.359 11.151 1.00 0.00 C ATOM 1108 O ASN A 73 -8.930 -21.358 10.571 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.592 -19.600 12.335 1.00 0.00 C ATOM 1110 CG ASN A 73 -10.266 -20.462 13.545 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -10.757 -21.579 13.690 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -9.404 -20.001 14.422 1.00 0.00 N ATOM 1113 OXT ASN A 73 -7.230 -20.293 11.472 1.00 0.00 O ATOM 0 H ASN A 73 -10.741 -18.831 9.967 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.729 -18.503 12.094 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.117 -18.706 12.672 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.277 -20.148 11.688 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.140 -20.571 15.226 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.998 -19.073 14.299 1.00 0.00 H new ATOM 1121 N MET B 74 -1.919 17.441 -22.310 1.00 0.00 N ATOM 1122 CA MET B 74 -1.670 17.475 -20.848 1.00 0.00 C ATOM 1123 C MET B 74 -0.198 17.222 -20.511 1.00 0.00 C ATOM 1124 O MET B 74 0.441 16.461 -21.239 1.00 0.00 O ATOM 1125 CB MET B 74 -2.573 16.521 -20.048 1.00 0.00 C ATOM 1126 CG MET B 74 -2.575 15.065 -20.516 1.00 0.00 C ATOM 1127 SD MET B 74 -3.596 14.739 -21.977 1.00 0.00 S ATOM 1128 CE MET B 74 -3.545 12.928 -21.987 1.00 0.00 C ATOM 0 HA MET B 74 -1.929 18.488 -20.541 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.264 16.548 -19.003 1.00 0.00 H new ATOM 0 HB3 MET B 74 -3.595 16.898 -20.088 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.549 14.766 -20.733 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.924 14.435 -19.698 1.00 0.00 H new ATOM 0 HE1 MET B 74 -4.127 12.552 -22.829 1.00 0.00 H new ATOM 0 HE2 MET B 74 -2.512 12.594 -22.082 1.00 0.00 H new ATOM 0 HE3 MET B 74 -3.965 12.547 -21.056 1.00 0.00 H new ATOM 1140 N PRO B 75 0.337 17.835 -19.430 1.00 0.00 N ATOM 1141 CA PRO B 75 1.722 17.696 -18.978 1.00 0.00 C ATOM 1142 C PRO B 75 2.188 16.256 -18.768 1.00 0.00 C ATOM 1143 O PRO B 75 1.416 15.404 -18.339 1.00 0.00 O ATOM 1144 CB PRO B 75 1.806 18.435 -17.639 1.00 0.00 C ATOM 1145 CG PRO B 75 0.723 19.498 -17.747 1.00 0.00 C ATOM 1146 CD PRO B 75 -0.343 18.835 -18.614 1.00 0.00 C ATOM 0 HA PRO B 75 2.371 18.100 -19.755 1.00 0.00 H new ATOM 0 HB2 PRO B 75 1.626 17.764 -16.799 1.00 0.00 H new ATOM 0 HB3 PRO B 75 2.790 18.879 -17.487 1.00 0.00 H new ATOM 0 HG2 PRO B 75 0.330 19.772 -16.768 1.00 0.00 H new ATOM 0 HG3 PRO B 75 1.102 20.412 -18.205 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -1.111 18.371 -17.995 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -0.843 19.572 -19.243 1.00 0.00 H new ATOM 1154 N LYS B 76 3.484 16.025 -18.996 1.00 0.00 N ATOM 1155 CA LYS B 76 4.223 14.838 -18.547 1.00 0.00 C ATOM 1156 C LYS B 76 5.143 15.165 -17.347 1.00 0.00 C ATOM 1157 O LYS B 76 5.878 16.160 -17.368 1.00 0.00 O ATOM 1158 CB LYS B 76 5.035 14.261 -19.727 1.00 0.00 C ATOM 1159 CG LYS B 76 4.285 13.192 -20.544 1.00 0.00 C ATOM 1160 CD LYS B 76 3.842 13.630 -21.944 1.00 0.00 C ATOM 1161 CE LYS B 76 2.953 14.872 -21.917 1.00 0.00 C ATOM 1162 NZ LYS B 76 2.142 14.993 -23.148 1.00 0.00 N ATOM 0 H LYS B 76 4.069 16.680 -19.515 1.00 0.00 H new ATOM 0 HA LYS B 76 3.508 14.089 -18.206 1.00 0.00 H new ATOM 0 HB2 LYS B 76 5.320 15.077 -20.391 1.00 0.00 H new ATOM 0 HB3 LYS B 76 5.958 13.827 -19.341 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.927 12.316 -20.641 1.00 0.00 H new ATOM 0 HG3 LYS B 76 3.404 12.881 -19.983 1.00 0.00 H new ATOM 0 HD2 LYS B 76 4.723 13.831 -22.553 1.00 0.00 H new ATOM 0 HD3 LYS B 76 3.303 12.812 -22.423 1.00 0.00 H new ATOM 0 HE2 LYS B 76 2.294 14.828 -21.050 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.573 15.761 -21.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 1.751 15.954 -23.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 2.740 14.806 -23.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 1.364 14.304 -23.120 1.00 0.00 H new ATOM 1176 N HIS B 77 5.128 14.309 -16.324 1.00 0.00 N ATOM 1177 CA HIS B 77 5.933 14.396 -15.094 1.00 0.00 C ATOM 1178 C HIS B 77 6.535 13.022 -14.709 1.00 0.00 C ATOM 1179 O HIS B 77 6.072 11.977 -15.185 1.00 0.00 O ATOM 1180 CB HIS B 77 5.031 14.876 -13.938 1.00 0.00 C ATOM 1181 CG HIS B 77 4.503 16.285 -14.047 1.00 0.00 C ATOM 1182 ND1 HIS B 77 5.025 17.407 -13.440 1.00 0.00 N ATOM 1183 CD2 HIS B 77 3.327 16.666 -14.636 1.00 0.00 C ATOM 1184 CE1 HIS B 77 4.188 18.432 -13.664 1.00 0.00 C ATOM 1185 NE2 HIS B 77 3.138 18.036 -14.402 1.00 0.00 N ATOM 0 H HIS B 77 4.522 13.489 -16.327 1.00 0.00 H new ATOM 0 HA HIS B 77 6.750 15.095 -15.273 1.00 0.00 H new ATOM 0 HB2 HIS B 77 4.182 14.197 -13.861 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.592 14.791 -13.007 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.659 16.021 -15.187 1.00 0.00 H new ATOM 0 HE1 HIS B 77 4.338 19.438 -13.300 1.00 0.00 H new ATOM 0 HE2 HIS B 77 2.362 18.613 -14.726 1.00 0.00 H new ATOM 1193 N GLU B 78 7.516 13.015 -13.799 1.00 0.00 N ATOM 1194 CA GLU B 78 8.075 11.814 -13.164 1.00 0.00 C ATOM 1195 C GLU B 78 7.976 11.896 -11.623 1.00 0.00 C ATOM 1196 O GLU B 78 8.055 12.978 -11.041 1.00 0.00 O ATOM 1197 CB GLU B 78 9.550 11.649 -13.573 1.00 0.00 C ATOM 1198 CG GLU B 78 9.775 11.312 -15.053 1.00 0.00 C ATOM 1199 CD GLU B 78 11.260 11.126 -15.392 1.00 0.00 C ATOM 1200 OE1 GLU B 78 12.146 11.382 -14.549 1.00 0.00 O ATOM 1201 OE2 GLU B 78 11.585 10.725 -16.535 1.00 0.00 O ATOM 0 H GLU B 78 7.958 13.874 -13.473 1.00 0.00 H new ATOM 0 HA GLU B 78 7.496 10.954 -13.500 1.00 0.00 H new ATOM 0 HB2 GLU B 78 10.082 12.571 -13.340 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.995 10.862 -12.964 1.00 0.00 H new ATOM 0 HG2 GLU B 78 9.232 10.401 -15.302 1.00 0.00 H new ATOM 0 HG3 GLU B 78 9.361 12.109 -15.671 1.00 0.00 H new ATOM 1208 N PHE B 79 7.859 10.743 -10.953 1.00 0.00 N ATOM 1209 CA PHE B 79 7.841 10.593 -9.488 1.00 0.00 C ATOM 1210 C PHE B 79 8.604 9.317 -9.073 1.00 0.00 C ATOM 1211 O PHE B 79 8.535 8.301 -9.770 1.00 0.00 O ATOM 1212 CB PHE B 79 6.386 10.533 -8.978 1.00 0.00 C ATOM 1213 CG PHE B 79 5.519 11.762 -9.217 1.00 0.00 C ATOM 1214 CD1 PHE B 79 4.897 11.973 -10.466 1.00 0.00 C ATOM 1215 CD2 PHE B 79 5.292 12.677 -8.170 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.084 13.104 -10.677 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.468 13.799 -8.376 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.870 14.016 -9.630 1.00 0.00 C ATOM 0 H PHE B 79 7.770 9.849 -11.436 1.00 0.00 H new ATOM 0 HA PHE B 79 8.334 11.456 -9.041 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.898 9.678 -9.446 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.410 10.339 -7.906 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.045 11.262 -11.266 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.752 12.517 -7.206 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.626 13.270 -11.641 1.00 0.00 H new ATOM 0 HE2 PHE B 79 4.294 14.495 -7.569 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.246 14.883 -9.788 1.00 0.00 H new ATOM 1228 N SER B 80 9.321 9.338 -7.945 1.00 0.00 N ATOM 1229 CA SER B 80 10.147 8.224 -7.442 1.00 0.00 C ATOM 1230 C SER B 80 9.459 7.479 -6.283 1.00 0.00 C ATOM 1231 O SER B 80 9.103 8.107 -5.284 1.00 0.00 O ATOM 1232 CB SER B 80 11.499 8.768 -6.957 1.00 0.00 C ATOM 1233 OG SER B 80 12.400 7.717 -6.650 1.00 0.00 O ATOM 0 H SER B 80 9.347 10.154 -7.334 1.00 0.00 H new ATOM 0 HA SER B 80 10.289 7.519 -8.261 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.932 9.408 -7.726 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.347 9.389 -6.074 1.00 0.00 H new ATOM 0 HG SER B 80 13.252 8.095 -6.346 1.00 0.00 H new ATOM 1239 N VAL B 81 9.300 6.149 -6.377 1.00 0.00 N ATOM 1240 CA VAL B 81 8.558 5.315 -5.405 1.00 0.00 C ATOM 1241 C VAL B 81 9.439 4.205 -4.820 1.00 0.00 C ATOM 1242 O VAL B 81 10.341 3.702 -5.485 1.00 0.00 O ATOM 1243 CB VAL B 81 7.286 4.674 -6.023 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.225 5.743 -6.338 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.564 3.873 -7.310 1.00 0.00 C ATOM 0 H VAL B 81 9.691 5.607 -7.147 1.00 0.00 H new ATOM 0 HA VAL B 81 8.254 5.994 -4.608 1.00 0.00 H new ATOM 0 HB VAL B 81 6.920 3.980 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.345 5.266 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL B 81 5.944 6.259 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.633 6.462 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.631 3.454 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.995 4.533 -8.063 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.263 3.065 -7.092 1.00 0.00 H new ATOM 1255 N ASP B 82 9.146 3.798 -3.583 1.00 0.00 N ATOM 1256 CA ASP B 82 9.806 2.693 -2.867 1.00 0.00 C ATOM 1257 C ASP B 82 9.181 1.318 -3.217 1.00 0.00 C ATOM 1258 O ASP B 82 8.698 0.583 -2.353 1.00 0.00 O ATOM 1259 CB ASP B 82 9.767 3.022 -1.364 1.00 0.00 C ATOM 1260 CG ASP B 82 10.708 2.154 -0.529 1.00 0.00 C ATOM 1261 OD1 ASP B 82 11.835 1.874 -0.992 1.00 0.00 O ATOM 1262 OD2 ASP B 82 10.367 1.832 0.633 1.00 0.00 O ATOM 0 H ASP B 82 8.415 4.243 -3.027 1.00 0.00 H new ATOM 0 HA ASP B 82 10.846 2.601 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP B 82 10.030 4.070 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP B 82 8.748 2.896 -0.998 1.00 0.00 H new ATOM 1267 N MET B 83 9.081 1.033 -4.522 1.00 0.00 N ATOM 1268 CA MET B 83 8.376 -0.120 -5.106 1.00 0.00 C ATOM 1269 C MET B 83 9.321 -0.949 -6.000 1.00 0.00 C ATOM 1270 O MET B 83 9.854 -0.409 -6.972 1.00 0.00 O ATOM 1271 CB MET B 83 7.170 0.453 -5.879 1.00 0.00 C ATOM 1272 CG MET B 83 6.030 -0.534 -6.141 1.00 0.00 C ATOM 1273 SD MET B 83 6.365 -1.920 -7.250 1.00 0.00 S ATOM 1274 CE MET B 83 6.833 -1.055 -8.768 1.00 0.00 C ATOM 0 H MET B 83 9.508 1.626 -5.234 1.00 0.00 H new ATOM 0 HA MET B 83 8.029 -0.812 -4.339 1.00 0.00 H new ATOM 0 HB2 MET B 83 6.773 1.301 -5.322 1.00 0.00 H new ATOM 0 HB3 MET B 83 7.523 0.837 -6.836 1.00 0.00 H new ATOM 0 HG2 MET B 83 5.710 -0.941 -5.182 1.00 0.00 H new ATOM 0 HG3 MET B 83 5.187 0.026 -6.547 1.00 0.00 H new ATOM 0 HE1 MET B 83 6.844 -1.759 -9.600 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.113 -0.263 -8.972 1.00 0.00 H new ATOM 0 HE3 MET B 83 7.825 -0.621 -8.648 1.00 0.00 H new ATOM 1284 N THR B 84 9.525 -2.243 -5.692 1.00 0.00 N ATOM 1285 CA THR B 84 10.504 -3.140 -6.367 1.00 0.00 C ATOM 1286 C THR B 84 9.840 -4.393 -6.973 1.00 0.00 C ATOM 1287 O THR B 84 10.469 -5.440 -7.110 1.00 0.00 O ATOM 1288 CB THR B 84 11.631 -3.545 -5.393 1.00 0.00 C ATOM 1289 OG1 THR B 84 11.958 -2.488 -4.519 1.00 0.00 O ATOM 1290 CG2 THR B 84 12.939 -3.924 -6.098 1.00 0.00 C ATOM 0 H THR B 84 9.006 -2.713 -4.951 1.00 0.00 H new ATOM 0 HA THR B 84 10.932 -2.574 -7.194 1.00 0.00 H new ATOM 0 HB THR B 84 11.231 -4.408 -4.862 1.00 0.00 H new ATOM 0 HG1 THR B 84 12.418 -2.845 -3.731 1.00 0.00 H new ATOM 0 HG21 THR B 84 13.687 -4.198 -5.354 1.00 0.00 H new ATOM 0 HG22 THR B 84 12.762 -4.769 -6.763 1.00 0.00 H new ATOM 0 HG23 THR B 84 13.299 -3.075 -6.679 1.00 0.00 H new ATOM 1298 N CYS B 85 8.544 -4.321 -7.267 1.00 0.00 N ATOM 1299 CA CYS B 85 7.656 -5.477 -7.380 1.00 0.00 C ATOM 1300 C CYS B 85 6.824 -5.545 -8.694 1.00 0.00 C ATOM 1301 O CYS B 85 6.777 -4.604 -9.493 1.00 0.00 O ATOM 1302 CB CYS B 85 6.775 -5.371 -6.119 1.00 0.00 C ATOM 1303 SG CYS B 85 5.950 -6.917 -5.662 1.00 0.00 S ATOM 0 H CYS B 85 8.069 -3.434 -7.438 1.00 0.00 H new ATOM 0 HA CYS B 85 8.224 -6.406 -7.438 1.00 0.00 H new ATOM 0 HB2 CYS B 85 7.393 -5.041 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS B 85 6.019 -4.602 -6.280 1.00 0.00 H new ATOM 0 HG CYS B 85 5.879 -7.005 -4.367 1.00 0.00 H new ATOM 1308 N GLY B 86 6.102 -6.661 -8.847 1.00 0.00 N ATOM 1309 CA GLY B 86 4.943 -6.847 -9.735 1.00 0.00 C ATOM 1310 C GLY B 86 3.611 -6.901 -8.971 1.00 0.00 C ATOM 1311 O GLY B 86 2.579 -6.471 -9.489 1.00 0.00 O ATOM 0 H GLY B 86 6.322 -7.509 -8.325 1.00 0.00 H new ATOM 0 HA2 GLY B 86 4.910 -6.031 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY B 86 5.069 -7.770 -10.302 1.00 0.00 H new ATOM 1315 N GLY B 87 3.616 -7.371 -7.718 1.00 0.00 N ATOM 1316 CA GLY B 87 2.462 -7.340 -6.809 1.00 0.00 C ATOM 1317 C GLY B 87 2.175 -5.921 -6.328 1.00 0.00 C ATOM 1318 O GLY B 87 1.090 -5.392 -6.573 1.00 0.00 O ATOM 0 H GLY B 87 4.443 -7.794 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.584 -7.739 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.654 -7.985 -5.952 1.00 0.00 H new ATOM 1322 N CYS B 88 3.164 -5.247 -5.729 1.00 0.00 N ATOM 1323 CA CYS B 88 3.016 -3.843 -5.326 1.00 0.00 C ATOM 1324 C CYS B 88 2.778 -2.903 -6.534 1.00 0.00 C ATOM 1325 O CYS B 88 2.082 -1.895 -6.398 1.00 0.00 O ATOM 1326 CB CYS B 88 4.212 -3.444 -4.443 1.00 0.00 C ATOM 1327 SG CYS B 88 3.751 -2.037 -3.391 1.00 0.00 S ATOM 0 H CYS B 88 4.075 -5.651 -5.513 1.00 0.00 H new ATOM 0 HA CYS B 88 2.113 -3.730 -4.726 1.00 0.00 H new ATOM 0 HB2 CYS B 88 4.518 -4.288 -3.825 1.00 0.00 H new ATOM 0 HB3 CYS B 88 5.066 -3.180 -5.067 1.00 0.00 H new ATOM 0 HG CYS B 88 4.419 -2.091 -2.277 1.00 0.00 H new ATOM 1333 N ALA B 89 3.231 -3.271 -7.743 1.00 0.00 N ATOM 1334 CA ALA B 89 2.911 -2.557 -8.987 1.00 0.00 C ATOM 1335 C ALA B 89 1.403 -2.576 -9.314 1.00 0.00 C ATOM 1336 O ALA B 89 0.833 -1.536 -9.653 1.00 0.00 O ATOM 1337 CB ALA B 89 3.740 -3.135 -10.138 1.00 0.00 C ATOM 0 H ALA B 89 3.835 -4.080 -7.885 1.00 0.00 H new ATOM 0 HA ALA B 89 3.172 -1.508 -8.847 1.00 0.00 H new ATOM 0 HB1 ALA B 89 3.502 -2.605 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA B 89 4.801 -3.019 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA B 89 3.508 -4.193 -10.258 1.00 0.00 H new ATOM 1343 N GLU B 90 0.736 -3.723 -9.154 1.00 0.00 N ATOM 1344 CA GLU B 90 -0.726 -3.840 -9.286 1.00 0.00 C ATOM 1345 C GLU B 90 -1.471 -3.058 -8.187 1.00 0.00 C ATOM 1346 O GLU B 90 -2.526 -2.477 -8.456 1.00 0.00 O ATOM 1347 CB GLU B 90 -1.131 -5.326 -9.267 1.00 0.00 C ATOM 1348 CG GLU B 90 -0.776 -6.069 -10.564 1.00 0.00 C ATOM 1349 CD GLU B 90 -1.557 -5.603 -11.790 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -2.727 -5.176 -11.662 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -1.011 -5.677 -12.910 1.00 0.00 O ATOM 0 H GLU B 90 1.196 -4.605 -8.927 1.00 0.00 H new ATOM 0 HA GLU B 90 -1.014 -3.398 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -0.640 -5.819 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -2.205 -5.401 -9.096 1.00 0.00 H new ATOM 0 HG2 GLU B 90 0.289 -5.947 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -0.953 -7.135 -10.418 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.910 -2.971 -6.974 1.00 0.00 N ATOM 1359 CA ALA B 91 -1.451 -2.128 -5.907 1.00 0.00 C ATOM 1360 C ALA B 91 -1.296 -0.629 -6.215 1.00 0.00 C ATOM 1361 O ALA B 91 -2.293 0.093 -6.209 1.00 0.00 O ATOM 1362 CB ALA B 91 -0.807 -2.519 -4.571 1.00 0.00 C ATOM 0 H ALA B 91 -0.069 -3.484 -6.708 1.00 0.00 H new ATOM 0 HA ALA B 91 -2.525 -2.301 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -1.209 -1.892 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -1.025 -3.565 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA B 91 0.272 -2.379 -4.633 1.00 0.00 H new ATOM 1368 N VAL B 92 -0.088 -0.148 -6.535 1.00 0.00 N ATOM 1369 CA VAL B 92 0.139 1.283 -6.825 1.00 0.00 C ATOM 1370 C VAL B 92 -0.584 1.737 -8.107 1.00 0.00 C ATOM 1371 O VAL B 92 -1.024 2.880 -8.192 1.00 0.00 O ATOM 1372 CB VAL B 92 1.638 1.672 -6.812 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.381 1.274 -8.093 1.00 0.00 C ATOM 1374 CG2 VAL B 92 1.828 3.178 -6.561 1.00 0.00 C ATOM 0 H VAL B 92 0.751 -0.725 -6.601 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.313 1.837 -6.002 1.00 0.00 H new ATOM 0 HB VAL B 92 2.073 1.106 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.426 1.576 -8.017 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.324 0.194 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.922 1.769 -8.949 1.00 0.00 H new ATOM 0 HG21 VAL B 92 2.892 3.415 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL B 92 1.332 3.744 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.395 3.444 -5.597 1.00 0.00 H new ATOM 1384 N SER B 93 -0.817 0.824 -9.059 1.00 0.00 N ATOM 1385 CA SER B 93 -1.741 1.048 -10.185 1.00 0.00 C ATOM 1386 C SER B 93 -3.160 1.376 -9.687 1.00 0.00 C ATOM 1387 O SER B 93 -3.729 2.412 -10.037 1.00 0.00 O ATOM 1388 CB SER B 93 -1.789 -0.195 -11.092 1.00 0.00 C ATOM 1389 OG SER B 93 -0.544 -0.483 -11.706 1.00 0.00 O ATOM 0 H SER B 93 -0.371 -0.093 -9.073 1.00 0.00 H new ATOM 0 HA SER B 93 -1.369 1.900 -10.754 1.00 0.00 H new ATOM 0 HB2 SER B 93 -2.104 -1.056 -10.502 1.00 0.00 H new ATOM 0 HB3 SER B 93 -2.543 -0.045 -11.865 1.00 0.00 H new ATOM 0 HG SER B 93 0.004 -1.020 -11.097 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.708 0.540 -8.793 1.00 0.00 N ATOM 1396 CA ARG B 94 -5.017 0.767 -8.168 1.00 0.00 C ATOM 1397 C ARG B 94 -5.045 2.021 -7.286 1.00 0.00 C ATOM 1398 O ARG B 94 -6.073 2.695 -7.263 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.445 -0.476 -7.375 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.846 -1.610 -8.325 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.957 -2.936 -7.567 1.00 0.00 C ATOM 1402 NE ARG B 94 -6.396 -4.027 -8.446 1.00 0.00 N ATOM 1403 CZ ARG B 94 -5.700 -4.610 -9.410 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -4.479 -4.236 -9.723 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -6.254 -5.599 -10.068 1.00 0.00 N ATOM 0 H ARG B 94 -3.252 -0.318 -8.482 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.733 0.943 -8.970 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -4.627 -0.804 -6.733 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -6.282 -0.227 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -6.799 -1.375 -8.798 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -5.108 -1.702 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.991 -3.187 -7.129 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -6.662 -2.826 -6.743 1.00 0.00 H new ATOM 0 HE ARG B 94 -7.343 -4.375 -8.297 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -4.034 -3.471 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -3.976 -4.711 -10.473 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -7.199 -5.902 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -5.740 -6.066 -10.815 1.00 0.00 H new ATOM 1419 N VAL B 95 -3.945 2.360 -6.607 1.00 0.00 N ATOM 1420 CA VAL B 95 -3.811 3.598 -5.810 1.00 0.00 C ATOM 1421 C VAL B 95 -3.877 4.860 -6.687 1.00 0.00 C ATOM 1422 O VAL B 95 -4.598 5.789 -6.338 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.526 3.597 -4.947 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.233 4.965 -4.316 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -2.642 2.549 -3.826 1.00 0.00 C ATOM 0 H VAL B 95 -3.107 1.779 -6.591 1.00 0.00 H new ATOM 0 HA VAL B 95 -4.665 3.620 -5.133 1.00 0.00 H new ATOM 0 HB VAL B 95 -1.702 3.354 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.321 4.904 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.105 5.709 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.065 5.255 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -1.733 2.557 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -3.497 2.786 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -2.778 1.561 -4.265 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.205 4.898 -7.849 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.366 6.002 -8.810 1.00 0.00 C ATOM 1437 C LEU B 96 -4.817 6.100 -9.301 1.00 0.00 C ATOM 1438 O LEU B 96 -5.391 7.187 -9.346 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.382 5.821 -9.984 1.00 0.00 C ATOM 1440 CG LEU B 96 -0.928 6.223 -9.655 1.00 0.00 C ATOM 1441 CD1 LEU B 96 0.001 5.791 -10.800 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -0.799 7.743 -9.448 1.00 0.00 C ATOM 0 H LEU B 96 -2.546 4.178 -8.146 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.134 6.942 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.397 4.778 -10.299 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.729 6.414 -10.830 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.644 5.722 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.026 6.076 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.055 4.710 -10.926 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.308 6.280 -11.724 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.237 7.992 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.104 8.261 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.439 8.053 -8.622 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.450 4.958 -9.572 1.00 0.00 N ATOM 1455 CA ASN B 97 -6.863 4.901 -9.946 1.00 0.00 C ATOM 1456 C ASN B 97 -7.840 5.343 -8.829 1.00 0.00 C ATOM 1457 O ASN B 97 -8.999 5.620 -9.148 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.199 3.501 -10.478 1.00 0.00 C ATOM 1459 CG ASN B 97 -6.792 3.307 -11.934 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -7.614 3.425 -12.838 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -5.542 3.008 -12.220 1.00 0.00 N ATOM 0 H ASN B 97 -4.996 4.045 -9.538 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.009 5.638 -10.736 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.697 2.754 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.271 3.328 -10.379 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -5.259 2.875 -13.191 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -4.857 2.909 -11.471 1.00 0.00 H new ATOM 1468 N LYS B 98 -7.420 5.486 -7.558 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.259 6.091 -6.503 1.00 0.00 C ATOM 1470 C LYS B 98 -8.574 7.569 -6.792 1.00 0.00 C ATOM 1471 O LYS B 98 -9.698 8.005 -6.537 1.00 0.00 O ATOM 1472 CB LYS B 98 -7.644 5.940 -5.101 1.00 0.00 C ATOM 1473 CG LYS B 98 -7.612 4.492 -4.592 1.00 0.00 C ATOM 1474 CD LYS B 98 -7.113 4.453 -3.142 1.00 0.00 C ATOM 1475 CE LYS B 98 -7.023 3.015 -2.609 1.00 0.00 C ATOM 1476 NZ LYS B 98 -6.470 2.953 -1.233 1.00 0.00 N ATOM 0 H LYS B 98 -6.499 5.189 -7.234 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.196 5.535 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -6.627 6.333 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -8.211 6.550 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -8.609 4.055 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -6.960 3.890 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -6.132 4.925 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -7.785 5.034 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -8.015 2.564 -2.619 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -6.397 2.422 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -6.748 2.056 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -5.432 3.013 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -6.841 3.747 -0.674 1.00 0.00 H new ATOM 1490 N LEU B 99 -7.634 8.313 -7.391 1.00 0.00 N ATOM 1491 CA LEU B 99 -7.871 9.678 -7.879 1.00 0.00 C ATOM 1492 C LEU B 99 -8.818 9.660 -9.089 1.00 0.00 C ATOM 1493 O LEU B 99 -9.779 10.428 -9.124 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.497 10.330 -8.158 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.462 11.821 -8.569 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -6.804 12.054 -10.048 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.342 12.709 -7.676 1.00 0.00 C ATOM 0 H LEU B 99 -6.682 7.982 -7.551 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.380 10.288 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.888 10.218 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -6.011 9.756 -8.947 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.424 12.118 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.761 13.121 -10.268 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.086 11.525 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -7.808 11.682 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -7.276 13.743 -8.014 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -8.377 12.373 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.998 12.642 -6.644 1.00 0.00 H new ATOM 1509 N GLY B 100 -8.612 8.737 -10.037 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.518 8.526 -11.174 1.00 0.00 C ATOM 1511 C GLY B 100 -8.805 8.104 -12.455 1.00 0.00 C ATOM 1512 O GLY B 100 -8.073 7.112 -12.467 1.00 0.00 O ATOM 0 H GLY B 100 -7.807 8.111 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -10.250 7.763 -10.908 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.071 9.446 -11.362 1.00 0.00 H new ATOM 1516 N GLY B 101 -9.050 8.835 -13.545 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.486 8.562 -14.868 1.00 0.00 C ATOM 1518 C GLY B 101 -7.108 9.200 -15.015 1.00 0.00 C ATOM 1519 O GLY B 101 -7.018 10.426 -15.060 1.00 0.00 O ATOM 0 H GLY B 101 -9.660 9.652 -13.531 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -8.411 7.485 -15.020 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.154 8.947 -15.639 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.051 8.386 -15.088 1.00 0.00 N ATOM 1524 CA VAL B 102 -4.653 8.827 -15.195 1.00 0.00 C ATOM 1525 C VAL B 102 -3.898 7.945 -16.194 1.00 0.00 C ATOM 1526 O VAL B 102 -3.998 6.718 -16.166 1.00 0.00 O ATOM 1527 CB VAL B 102 -3.920 8.784 -13.831 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -2.573 9.518 -13.897 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -4.735 9.368 -12.661 1.00 0.00 C ATOM 0 H VAL B 102 -6.145 7.370 -15.074 1.00 0.00 H new ATOM 0 HA VAL B 102 -4.670 9.861 -15.540 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.770 7.722 -13.634 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -2.084 9.469 -12.924 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -1.938 9.046 -14.646 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -2.740 10.561 -14.168 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.152 9.301 -11.742 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -4.969 10.413 -12.866 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -5.661 8.804 -12.545 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.120 8.589 -17.059 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.206 7.956 -18.018 1.00 0.00 C ATOM 1541 C LYS B 103 -0.799 7.838 -17.410 1.00 0.00 C ATOM 1542 O LYS B 103 -0.255 8.828 -16.913 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.178 8.789 -19.312 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.432 8.663 -20.191 1.00 0.00 C ATOM 1545 CD LYS B 103 -3.451 7.367 -21.013 1.00 0.00 C ATOM 1546 CE LYS B 103 -4.637 7.343 -21.985 1.00 0.00 C ATOM 1547 NZ LYS B 103 -4.489 6.248 -22.971 1.00 0.00 N ATOM 0 H LYS B 103 -3.105 9.607 -17.117 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.555 6.950 -18.252 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.041 9.838 -19.049 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.309 8.492 -19.899 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -4.319 8.701 -19.559 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -3.485 9.517 -20.866 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.519 7.273 -21.570 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -3.509 6.509 -20.343 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -5.566 7.214 -21.429 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -4.706 8.299 -22.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -5.303 6.251 -23.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -3.614 6.387 -23.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -4.446 5.336 -22.473 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.212 6.639 -17.416 1.00 0.00 N ATOM 1562 CA TYR B 104 1.098 6.388 -16.795 1.00 0.00 C ATOM 1563 C TYR B 104 1.875 5.162 -17.326 1.00 0.00 C ATOM 1564 O TYR B 104 1.360 4.341 -18.086 1.00 0.00 O ATOM 1565 CB TYR B 104 0.948 6.359 -15.256 1.00 0.00 C ATOM 1566 CG TYR B 104 0.074 5.248 -14.702 1.00 0.00 C ATOM 1567 CD1 TYR B 104 0.587 3.941 -14.572 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -1.248 5.522 -14.296 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -0.221 2.907 -14.070 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -2.055 4.497 -13.765 1.00 0.00 C ATOM 1571 CZ TYR B 104 -1.547 3.183 -13.667 1.00 0.00 C ATOM 1572 OH TYR B 104 -2.340 2.174 -13.226 1.00 0.00 O ATOM 0 H TYR B 104 -0.627 5.814 -17.849 1.00 0.00 H new ATOM 0 HA TYR B 104 1.730 7.224 -17.094 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.940 6.271 -14.814 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.538 7.315 -14.931 1.00 0.00 H new ATOM 0 HD1 TYR B 104 1.607 3.734 -14.860 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -1.644 6.522 -14.393 1.00 0.00 H new ATOM 0 HE1 TYR B 104 0.170 1.903 -13.992 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -3.059 4.715 -13.434 1.00 0.00 H new ATOM 0 HH TYR B 104 -3.003 2.529 -12.597 1.00 0.00 H new ATOM 1582 N ASP B 105 3.120 5.021 -16.853 1.00 0.00 N ATOM 1583 CA ASP B 105 3.947 3.809 -16.919 1.00 0.00 C ATOM 1584 C ASP B 105 4.776 3.660 -15.626 1.00 0.00 C ATOM 1585 O ASP B 105 5.070 4.648 -14.952 1.00 0.00 O ATOM 1586 CB ASP B 105 4.858 3.839 -18.162 1.00 0.00 C ATOM 1587 CG ASP B 105 5.654 2.538 -18.320 1.00 0.00 C ATOM 1588 OD1 ASP B 105 5.049 1.448 -18.199 1.00 0.00 O ATOM 1589 OD2 ASP B 105 6.892 2.589 -18.515 1.00 0.00 O ATOM 0 H ASP B 105 3.603 5.790 -16.389 1.00 0.00 H new ATOM 0 HA ASP B 105 3.292 2.942 -17.008 1.00 0.00 H new ATOM 0 HB2 ASP B 105 4.251 4.004 -19.053 1.00 0.00 H new ATOM 0 HB3 ASP B 105 5.548 4.680 -18.086 1.00 0.00 H new ATOM 1594 N ILE B 106 5.137 2.421 -15.273 1.00 0.00 N ATOM 1595 CA ILE B 106 5.859 2.050 -14.038 1.00 0.00 C ATOM 1596 C ILE B 106 7.192 1.377 -14.408 1.00 0.00 C ATOM 1597 O ILE B 106 7.191 0.390 -15.154 1.00 0.00 O ATOM 1598 CB ILE B 106 4.969 1.108 -13.175 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.570 1.721 -12.902 1.00 0.00 C ATOM 1600 CG2 ILE B 106 5.675 0.744 -11.854 1.00 0.00 C ATOM 1601 CD1 ILE B 106 2.627 0.843 -12.065 1.00 0.00 C ATOM 0 H ILE B 106 4.929 1.613 -15.859 1.00 0.00 H new ATOM 0 HA ILE B 106 6.077 2.942 -13.450 1.00 0.00 H new ATOM 0 HB ILE B 106 4.816 0.194 -13.748 1.00 0.00 H new ATOM 0 HG12 ILE B 106 3.702 2.675 -12.392 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.091 1.934 -13.858 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.034 0.085 -11.268 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.615 0.236 -12.072 1.00 0.00 H new ATOM 0 HG23 ILE B 106 5.876 1.653 -11.287 1.00 0.00 H new ATOM 0 HD11 ILE B 106 1.676 1.358 -11.929 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.457 -0.103 -12.580 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.078 0.650 -11.091 1.00 0.00 H new ATOM 1613 N ASP B 107 8.317 1.881 -13.895 1.00 0.00 N ATOM 1614 CA ASP B 107 9.682 1.434 -14.222 1.00 0.00 C ATOM 1615 C ASP B 107 10.416 0.826 -13.012 1.00 0.00 C ATOM 1616 O ASP B 107 10.507 1.458 -11.959 1.00 0.00 O ATOM 1617 CB ASP B 107 10.480 2.640 -14.743 1.00 0.00 C ATOM 1618 CG ASP B 107 11.849 2.214 -15.270 1.00 0.00 C ATOM 1619 OD1 ASP B 107 11.875 1.517 -16.308 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.887 2.561 -14.659 1.00 0.00 O ATOM 0 H ASP B 107 8.307 2.641 -13.214 1.00 0.00 H new ATOM 0 HA ASP B 107 9.604 0.651 -14.977 1.00 0.00 H new ATOM 0 HB2 ASP B 107 9.920 3.134 -15.537 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.607 3.368 -13.942 1.00 0.00 H new ATOM 1625 N LEU B 108 10.978 -0.379 -13.172 1.00 0.00 N ATOM 1626 CA LEU B 108 11.702 -1.110 -12.120 1.00 0.00 C ATOM 1627 C LEU B 108 13.200 -0.733 -11.986 1.00 0.00 C ATOM 1628 O LEU B 108 13.645 -0.611 -10.841 1.00 0.00 O ATOM 1629 CB LEU B 108 11.461 -2.624 -12.328 1.00 0.00 C ATOM 1630 CG LEU B 108 12.125 -3.557 -11.292 1.00 0.00 C ATOM 1631 CD1 LEU B 108 11.614 -3.306 -9.865 1.00 0.00 C ATOM 1632 CD2 LEU B 108 11.856 -5.020 -11.677 1.00 0.00 C ATOM 0 H LEU B 108 10.942 -0.886 -14.056 1.00 0.00 H new ATOM 0 HA LEU B 108 11.299 -0.808 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU B 108 10.386 -2.807 -12.318 1.00 0.00 H new ATOM 0 HB3 LEU B 108 11.822 -2.898 -13.320 1.00 0.00 H new ATOM 0 HG LEU B 108 13.194 -3.346 -11.300 1.00 0.00 H new ATOM 0 HD11 LEU B 108 12.112 -3.987 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU B 108 11.829 -2.277 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU B 108 10.538 -3.475 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU B 108 12.324 -5.680 -10.947 1.00 0.00 H new ATOM 0 HD22 LEU B 108 10.781 -5.200 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU B 108 12.272 -5.219 -12.665 1.00 0.00 H new ATOM 1644 N PRO B 109 13.997 -0.530 -13.062 1.00 0.00 N ATOM 1645 CA PRO B 109 15.407 -0.144 -12.954 1.00 0.00 C ATOM 1646 C PRO B 109 15.669 1.161 -12.196 1.00 0.00 C ATOM 1647 O PRO B 109 16.659 1.240 -11.471 1.00 0.00 O ATOM 1648 CB PRO B 109 15.938 -0.052 -14.386 1.00 0.00 C ATOM 1649 CG PRO B 109 15.072 -1.063 -15.122 1.00 0.00 C ATOM 1650 CD PRO B 109 13.715 -0.887 -14.444 1.00 0.00 C ATOM 0 HA PRO B 109 15.922 -0.897 -12.357 1.00 0.00 H new ATOM 0 HB2 PRO B 109 15.828 0.952 -14.796 1.00 0.00 H new ATOM 0 HB3 PRO B 109 16.997 -0.306 -14.444 1.00 0.00 H new ATOM 0 HG2 PRO B 109 15.022 -0.854 -16.191 1.00 0.00 H new ATOM 0 HG3 PRO B 109 15.452 -2.079 -15.013 1.00 0.00 H new ATOM 0 HD2 PRO B 109 13.132 -0.109 -14.936 1.00 0.00 H new ATOM 0 HD3 PRO B 109 13.131 -1.806 -14.498 1.00 0.00 H new ATOM 1658 N ASN B 110 14.805 2.173 -12.336 1.00 0.00 N ATOM 1659 CA ASN B 110 14.919 3.450 -11.613 1.00 0.00 C ATOM 1660 C ASN B 110 13.811 3.674 -10.559 1.00 0.00 C ATOM 1661 O ASN B 110 13.761 4.739 -9.940 1.00 0.00 O ATOM 1662 CB ASN B 110 14.996 4.588 -12.648 1.00 0.00 C ATOM 1663 CG ASN B 110 16.369 4.625 -13.310 1.00 0.00 C ATOM 1664 OD1 ASN B 110 17.364 4.931 -12.665 1.00 0.00 O ATOM 1665 ND2 ASN B 110 16.481 4.293 -14.584 1.00 0.00 N ATOM 0 H ASN B 110 13.999 2.131 -12.959 1.00 0.00 H new ATOM 0 HA ASN B 110 15.834 3.430 -11.021 1.00 0.00 H new ATOM 0 HB2 ASN B 110 14.225 4.449 -13.406 1.00 0.00 H new ATOM 0 HB3 ASN B 110 14.796 5.543 -12.161 1.00 0.00 H new ATOM 0 HD21 ASN B 110 17.397 4.291 -15.032 1.00 0.00 H new ATOM 0 HD22 ASN B 110 15.651 4.038 -15.120 1.00 0.00 H new ATOM 1672 N LYS B 111 12.922 2.688 -10.352 1.00 0.00 N ATOM 1673 CA LYS B 111 11.802 2.713 -9.389 1.00 0.00 C ATOM 1674 C LYS B 111 10.969 4.014 -9.461 1.00 0.00 C ATOM 1675 O LYS B 111 10.608 4.629 -8.445 1.00 0.00 O ATOM 1676 CB LYS B 111 12.278 2.353 -7.972 1.00 0.00 C ATOM 1677 CG LYS B 111 13.032 1.018 -7.892 1.00 0.00 C ATOM 1678 CD LYS B 111 13.139 0.540 -6.437 1.00 0.00 C ATOM 1679 CE LYS B 111 14.315 -0.426 -6.288 1.00 0.00 C ATOM 1680 NZ LYS B 111 14.421 -0.952 -4.910 1.00 0.00 N ATOM 0 H LYS B 111 12.964 1.812 -10.873 1.00 0.00 H new ATOM 0 HA LYS B 111 11.102 1.932 -9.684 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.926 3.148 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.414 2.312 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.515 0.267 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS B 111 14.029 1.132 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS B 111 13.274 1.395 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.213 0.048 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS B 111 14.195 -1.255 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS B 111 15.241 0.084 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 15.278 -1.536 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 14.475 -0.159 -4.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 13.585 -1.531 -4.694 1.00 0.00 H new ATOM 1694 N LYS B 112 10.694 4.471 -10.686 1.00 0.00 N ATOM 1695 CA LYS B 112 9.911 5.678 -10.966 1.00 0.00 C ATOM 1696 C LYS B 112 8.554 5.344 -11.601 1.00 0.00 C ATOM 1697 O LYS B 112 8.389 4.296 -12.226 1.00 0.00 O ATOM 1698 CB LYS B 112 10.739 6.691 -11.791 1.00 0.00 C ATOM 1699 CG LYS B 112 11.063 6.272 -13.237 1.00 0.00 C ATOM 1700 CD LYS B 112 11.805 7.399 -13.978 1.00 0.00 C ATOM 1701 CE LYS B 112 12.080 7.012 -15.439 1.00 0.00 C ATOM 1702 NZ LYS B 112 12.840 8.064 -16.159 1.00 0.00 N ATOM 0 H LYS B 112 11.018 4.000 -11.531 1.00 0.00 H new ATOM 0 HA LYS B 112 9.678 6.162 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS B 112 10.197 7.637 -11.819 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.677 6.877 -11.268 1.00 0.00 H new ATOM 0 HG2 LYS B 112 11.675 5.370 -13.231 1.00 0.00 H new ATOM 0 HG3 LYS B 112 10.141 6.028 -13.765 1.00 0.00 H new ATOM 0 HD2 LYS B 112 11.211 8.312 -13.946 1.00 0.00 H new ATOM 0 HD3 LYS B 112 12.746 7.613 -13.472 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.639 6.077 -15.467 1.00 0.00 H new ATOM 0 HE3 LYS B 112 11.134 6.833 -15.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 13.180 7.687 -17.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 12.221 8.882 -16.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 13.653 8.362 -15.582 1.00 0.00 H new ATOM 1716 N VAL B 113 7.595 6.255 -11.456 1.00 0.00 N ATOM 1717 CA VAL B 113 6.362 6.272 -12.249 1.00 0.00 C ATOM 1718 C VAL B 113 6.364 7.526 -13.120 1.00 0.00 C ATOM 1719 O VAL B 113 6.654 8.624 -12.641 1.00 0.00 O ATOM 1720 CB VAL B 113 5.074 6.142 -11.401 1.00 0.00 C ATOM 1721 CG1 VAL B 113 5.066 4.794 -10.660 1.00 0.00 C ATOM 1722 CG2 VAL B 113 4.869 7.268 -10.377 1.00 0.00 C ATOM 0 H VAL B 113 7.650 7.013 -10.776 1.00 0.00 H new ATOM 0 HA VAL B 113 6.350 5.385 -12.883 1.00 0.00 H new ATOM 0 HB VAL B 113 4.252 6.212 -12.113 1.00 0.00 H new ATOM 0 HG11 VAL B 113 4.156 4.711 -10.066 1.00 0.00 H new ATOM 0 HG12 VAL B 113 5.102 3.980 -11.384 1.00 0.00 H new ATOM 0 HG13 VAL B 113 5.934 4.734 -10.004 1.00 0.00 H new ATOM 0 HG21 VAL B 113 3.943 7.096 -9.828 1.00 0.00 H new ATOM 0 HG22 VAL B 113 5.707 7.283 -9.680 1.00 0.00 H new ATOM 0 HG23 VAL B 113 4.811 8.225 -10.895 1.00 0.00 H new ATOM 1732 N CYS B 114 6.091 7.341 -14.409 1.00 0.00 N ATOM 1733 CA CYS B 114 6.039 8.394 -15.422 1.00 0.00 C ATOM 1734 C CYS B 114 4.558 8.688 -15.697 1.00 0.00 C ATOM 1735 O CYS B 114 3.847 7.785 -16.141 1.00 0.00 O ATOM 1736 CB CYS B 114 6.775 7.878 -16.673 1.00 0.00 C ATOM 1737 SG CYS B 114 8.508 7.471 -16.294 1.00 0.00 S ATOM 0 H CYS B 114 5.892 6.417 -14.793 1.00 0.00 H new ATOM 0 HA CYS B 114 6.522 9.318 -15.103 1.00 0.00 H new ATOM 0 HB2 CYS B 114 6.267 6.994 -17.059 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.739 8.634 -17.457 1.00 0.00 H new ATOM 0 HG CYS B 114 9.097 7.038 -17.369 1.00 0.00 H new ATOM 1743 N ILE B 115 4.073 9.899 -15.409 1.00 0.00 N ATOM 1744 CA ILE B 115 2.636 10.243 -15.448 1.00 0.00 C ATOM 1745 C ILE B 115 2.369 11.353 -16.466 1.00 0.00 C ATOM 1746 O ILE B 115 3.099 12.347 -16.507 1.00 0.00 O ATOM 1747 CB ILE B 115 2.116 10.647 -14.039 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.328 9.488 -13.032 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.628 11.068 -14.109 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.869 9.776 -11.597 1.00 0.00 C ATOM 0 H ILE B 115 4.668 10.682 -15.138 1.00 0.00 H new ATOM 0 HA ILE B 115 2.089 9.354 -15.763 1.00 0.00 H new ATOM 0 HB ILE B 115 2.688 11.506 -13.687 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.796 8.609 -13.397 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.388 9.234 -13.013 1.00 0.00 H new ATOM 0 HG21 ILE B 115 0.282 11.347 -13.114 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.522 11.919 -14.782 1.00 0.00 H new ATOM 0 HG23 ILE B 115 0.031 10.235 -14.480 1.00 0.00 H new ATOM 0 HD11 ILE B 115 2.060 8.904 -10.972 1.00 0.00 H new ATOM 0 HD12 ILE B 115 2.418 10.632 -11.204 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.802 9.997 -11.594 1.00 0.00 H new ATOM 1762 N GLU B 116 1.281 11.205 -17.222 1.00 0.00 N ATOM 1763 CA GLU B 116 0.735 12.207 -18.128 1.00 0.00 C ATOM 1764 C GLU B 116 -0.649 12.668 -17.625 1.00 0.00 C ATOM 1765 O GLU B 116 -1.656 11.976 -17.780 1.00 0.00 O ATOM 1766 CB GLU B 116 0.718 11.617 -19.547 1.00 0.00 C ATOM 1767 CG GLU B 116 0.270 12.645 -20.589 1.00 0.00 C ATOM 1768 CD GLU B 116 0.485 12.211 -22.042 1.00 0.00 C ATOM 1769 OE1 GLU B 116 0.993 11.096 -22.316 1.00 0.00 O ATOM 1770 OE2 GLU B 116 0.152 13.012 -22.944 1.00 0.00 O ATOM 0 H GLU B 116 0.734 10.344 -17.217 1.00 0.00 H new ATOM 0 HA GLU B 116 1.354 13.104 -18.156 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.714 11.254 -19.801 1.00 0.00 H new ATOM 0 HB3 GLU B 116 0.048 10.757 -19.574 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -0.789 12.858 -20.439 1.00 0.00 H new ATOM 0 HG3 GLU B 116 0.810 13.576 -20.418 1.00 0.00 H new ATOM 1777 N SER B 117 -0.724 13.842 -16.995 1.00 0.00 N ATOM 1778 CA SER B 117 -1.950 14.348 -16.357 1.00 0.00 C ATOM 1779 C SER B 117 -2.006 15.881 -16.257 1.00 0.00 C ATOM 1780 O SER B 117 -0.989 16.533 -16.025 1.00 0.00 O ATOM 1781 CB SER B 117 -2.088 13.757 -14.947 1.00 0.00 C ATOM 1782 OG SER B 117 -3.317 14.144 -14.357 1.00 0.00 O ATOM 0 H SER B 117 0.070 14.477 -16.910 1.00 0.00 H new ATOM 0 HA SER B 117 -2.774 14.035 -16.998 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.030 12.670 -14.996 1.00 0.00 H new ATOM 0 HB3 SER B 117 -1.259 14.093 -14.324 1.00 0.00 H new ATOM 0 HG SER B 117 -3.386 13.756 -13.460 1.00 0.00 H new ATOM 1788 N GLU B 118 -3.208 16.457 -16.379 1.00 0.00 N ATOM 1789 CA GLU B 118 -3.495 17.885 -16.150 1.00 0.00 C ATOM 1790 C GLU B 118 -3.949 18.169 -14.694 1.00 0.00 C ATOM 1791 O GLU B 118 -4.301 19.303 -14.363 1.00 0.00 O ATOM 1792 CB GLU B 118 -4.542 18.344 -17.191 1.00 0.00 C ATOM 1793 CG GLU B 118 -4.595 19.855 -17.503 1.00 0.00 C ATOM 1794 CD GLU B 118 -3.496 20.357 -18.445 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -3.374 19.845 -19.581 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -2.807 21.351 -18.109 1.00 0.00 O ATOM 0 H GLU B 118 -4.037 15.928 -16.649 1.00 0.00 H new ATOM 0 HA GLU B 118 -2.579 18.462 -16.280 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -4.352 17.811 -18.123 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -5.527 18.034 -16.842 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -5.565 20.087 -17.943 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -4.530 20.407 -16.566 1.00 0.00 H new ATOM 1803 N HIS B 119 -3.962 17.172 -13.799 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.268 17.362 -12.368 1.00 0.00 C ATOM 1805 C HIS B 119 -3.104 18.027 -11.584 1.00 0.00 C ATOM 1806 O HIS B 119 -2.018 18.259 -12.123 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.708 16.016 -11.755 1.00 0.00 C ATOM 1808 CG HIS B 119 -6.057 15.523 -12.236 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -7.272 16.165 -12.102 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -6.317 14.312 -12.822 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -8.224 15.370 -12.618 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -7.693 14.222 -13.080 1.00 0.00 N ATOM 0 H HIS B 119 -3.760 16.203 -14.046 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.095 18.067 -12.285 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.955 15.262 -11.986 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -4.737 16.116 -10.670 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.584 13.552 -13.048 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -9.274 15.618 -12.657 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -8.188 13.449 -13.525 1.00 0.00 H new ATOM 1820 N SER B 120 -3.328 18.400 -10.321 1.00 0.00 N ATOM 1821 CA SER B 120 -2.380 19.166 -9.490 1.00 0.00 C ATOM 1822 C SER B 120 -1.241 18.320 -8.899 1.00 0.00 C ATOM 1823 O SER B 120 -1.465 17.202 -8.425 1.00 0.00 O ATOM 1824 CB SER B 120 -3.114 19.833 -8.319 1.00 0.00 C ATOM 1825 OG SER B 120 -4.134 20.708 -8.764 1.00 0.00 O ATOM 0 H SER B 120 -4.194 18.175 -9.831 1.00 0.00 H new ATOM 0 HA SER B 120 -1.941 19.900 -10.165 1.00 0.00 H new ATOM 0 HB2 SER B 120 -3.548 19.065 -7.678 1.00 0.00 H new ATOM 0 HB3 SER B 120 -2.399 20.388 -7.712 1.00 0.00 H new ATOM 0 HG SER B 120 -4.579 21.112 -7.990 1.00 0.00 H new ATOM 1831 N MET B 121 -0.031 18.892 -8.836 1.00 0.00 N ATOM 1832 CA MET B 121 1.178 18.246 -8.306 1.00 0.00 C ATOM 1833 C MET B 121 1.004 17.757 -6.862 1.00 0.00 C ATOM 1834 O MET B 121 1.362 16.619 -6.564 1.00 0.00 O ATOM 1835 CB MET B 121 2.359 19.229 -8.422 1.00 0.00 C ATOM 1836 CG MET B 121 3.714 18.560 -8.133 1.00 0.00 C ATOM 1837 SD MET B 121 4.766 19.410 -6.925 1.00 0.00 S ATOM 1838 CE MET B 121 3.829 19.092 -5.409 1.00 0.00 C ATOM 0 H MET B 121 0.139 19.844 -9.161 1.00 0.00 H new ATOM 0 HA MET B 121 1.377 17.354 -8.900 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.375 19.656 -9.425 1.00 0.00 H new ATOM 0 HB3 MET B 121 2.210 20.055 -7.726 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.530 17.546 -7.778 1.00 0.00 H new ATOM 0 HG3 MET B 121 4.264 18.474 -9.070 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.400 19.440 -4.548 1.00 0.00 H new ATOM 0 HE2 MET B 121 2.878 19.622 -5.451 1.00 0.00 H new ATOM 0 HE3 MET B 121 3.644 18.022 -5.313 1.00 0.00 H new ATOM 1848 N ASP B 122 0.422 18.570 -5.973 1.00 0.00 N ATOM 1849 CA ASP B 122 0.164 18.199 -4.576 1.00 0.00 C ATOM 1850 C ASP B 122 -0.765 16.981 -4.466 1.00 0.00 C ATOM 1851 O ASP B 122 -0.514 16.106 -3.636 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.432 19.399 -3.820 1.00 0.00 C ATOM 1853 CG ASP B 122 -0.835 19.049 -2.385 1.00 0.00 C ATOM 1854 OD1 ASP B 122 0.067 18.836 -1.540 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -2.056 18.965 -2.107 1.00 0.00 O ATOM 0 H ASP B 122 0.113 19.514 -6.205 1.00 0.00 H new ATOM 0 HA ASP B 122 1.115 17.920 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP B 122 0.296 20.210 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -1.305 19.766 -4.359 1.00 0.00 H new ATOM 1860 N THR B 123 -1.806 16.916 -5.306 1.00 0.00 N ATOM 1861 CA THR B 123 -2.784 15.820 -5.336 1.00 0.00 C ATOM 1862 C THR B 123 -2.160 14.550 -5.893 1.00 0.00 C ATOM 1863 O THR B 123 -2.333 13.490 -5.299 1.00 0.00 O ATOM 1864 CB THR B 123 -4.012 16.218 -6.159 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.524 17.431 -5.658 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.136 15.185 -6.072 1.00 0.00 C ATOM 0 H THR B 123 -1.996 17.640 -5.999 1.00 0.00 H new ATOM 0 HA THR B 123 -3.101 15.622 -4.312 1.00 0.00 H new ATOM 0 HB THR B 123 -3.688 16.299 -7.197 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.310 17.695 -6.180 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.982 15.517 -6.674 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.778 14.226 -6.446 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.450 15.075 -5.034 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.411 14.638 -6.996 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.676 13.505 -7.573 1.00 0.00 C ATOM 1876 C LEU B 124 0.342 12.934 -6.571 1.00 0.00 C ATOM 1877 O LEU B 124 0.353 11.725 -6.327 1.00 0.00 O ATOM 1878 CB LEU B 124 0.003 13.955 -8.884 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.972 14.258 -10.046 1.00 0.00 C ATOM 1880 CD1 LEU B 124 -0.211 14.934 -11.197 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.662 12.987 -10.569 1.00 0.00 C ATOM 0 H LEU B 124 -1.296 15.506 -7.520 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.375 12.700 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.595 14.848 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.697 13.177 -9.203 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.745 14.923 -9.660 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.901 15.146 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.230 15.866 -10.844 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.578 14.270 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.337 13.249 -11.384 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -0.909 12.287 -10.932 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.230 12.523 -9.762 1.00 0.00 H new ATOM 1893 N LEU B 125 1.138 13.800 -5.932 1.00 0.00 N ATOM 1894 CA LEU B 125 2.114 13.419 -4.909 1.00 0.00 C ATOM 1895 C LEU B 125 1.442 12.811 -3.668 1.00 0.00 C ATOM 1896 O LEU B 125 1.911 11.793 -3.165 1.00 0.00 O ATOM 1897 CB LEU B 125 2.959 14.663 -4.567 1.00 0.00 C ATOM 1898 CG LEU B 125 4.095 14.423 -3.555 1.00 0.00 C ATOM 1899 CD1 LEU B 125 5.117 13.384 -4.047 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.812 15.752 -3.270 1.00 0.00 C ATOM 0 H LEU B 125 1.120 14.803 -6.116 1.00 0.00 H new ATOM 0 HA LEU B 125 2.764 12.634 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.391 15.054 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.298 15.435 -4.172 1.00 0.00 H new ATOM 0 HG LEU B 125 3.643 14.026 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.895 13.254 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU B 125 4.615 12.432 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.567 13.729 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.617 15.585 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.227 16.147 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.101 16.468 -2.857 1.00 0.00 H new ATOM 1912 N ALA B 126 0.333 13.391 -3.194 1.00 0.00 N ATOM 1913 CA ALA B 126 -0.429 12.866 -2.057 1.00 0.00 C ATOM 1914 C ALA B 126 -1.055 11.500 -2.368 1.00 0.00 C ATOM 1915 O ALA B 126 -0.975 10.602 -1.533 1.00 0.00 O ATOM 1916 CB ALA B 126 -1.503 13.883 -1.653 1.00 0.00 C ATOM 0 H ALA B 126 -0.063 14.243 -3.592 1.00 0.00 H new ATOM 0 HA ALA B 126 0.257 12.713 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -2.071 13.495 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -1.027 14.822 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.175 14.056 -2.494 1.00 0.00 H new ATOM 1922 N THR B 127 -1.613 11.322 -3.574 1.00 0.00 N ATOM 1923 CA THR B 127 -2.202 10.055 -4.048 1.00 0.00 C ATOM 1924 C THR B 127 -1.189 8.922 -3.934 1.00 0.00 C ATOM 1925 O THR B 127 -1.535 7.863 -3.417 1.00 0.00 O ATOM 1926 CB THR B 127 -2.715 10.183 -5.491 1.00 0.00 C ATOM 1927 OG1 THR B 127 -3.673 11.212 -5.548 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.402 8.909 -5.987 1.00 0.00 C ATOM 0 H THR B 127 -1.670 12.070 -4.265 1.00 0.00 H new ATOM 0 HA THR B 127 -3.057 9.823 -3.413 1.00 0.00 H new ATOM 0 HB THR B 127 -1.846 10.384 -6.118 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.230 12.060 -5.763 1.00 0.00 H new ATOM 0 HG21 THR B 127 -3.745 9.056 -7.011 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.696 8.079 -5.956 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.256 8.683 -5.348 1.00 0.00 H new ATOM 1936 N LEU B 128 0.059 9.156 -4.361 1.00 0.00 N ATOM 1937 CA LEU B 128 1.156 8.192 -4.244 1.00 0.00 C ATOM 1938 C LEU B 128 1.618 7.993 -2.791 1.00 0.00 C ATOM 1939 O LEU B 128 1.726 6.846 -2.353 1.00 0.00 O ATOM 1940 CB LEU B 128 2.323 8.640 -5.142 1.00 0.00 C ATOM 1941 CG LEU B 128 2.074 8.520 -6.660 1.00 0.00 C ATOM 1942 CD1 LEU B 128 3.214 9.219 -7.417 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.996 7.046 -7.095 1.00 0.00 C ATOM 0 H LEU B 128 0.336 10.032 -4.803 1.00 0.00 H new ATOM 0 HA LEU B 128 0.789 7.221 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.559 9.679 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU B 128 3.203 8.049 -4.887 1.00 0.00 H new ATOM 0 HG LEU B 128 1.121 8.995 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU B 128 3.042 9.137 -8.490 1.00 0.00 H new ATOM 0 HD12 LEU B 128 3.247 10.271 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU B 128 4.163 8.746 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.820 6.993 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.934 6.546 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.178 6.554 -6.568 1.00 0.00 H new ATOM 1955 N LYS B 129 1.850 9.060 -2.014 1.00 0.00 N ATOM 1956 CA LYS B 129 2.209 8.952 -0.585 1.00 0.00 C ATOM 1957 C LYS B 129 1.166 8.150 0.220 1.00 0.00 C ATOM 1958 O LYS B 129 1.537 7.343 1.071 1.00 0.00 O ATOM 1959 CB LYS B 129 2.412 10.348 0.033 1.00 0.00 C ATOM 1960 CG LYS B 129 3.737 11.015 -0.379 1.00 0.00 C ATOM 1961 CD LYS B 129 3.862 12.399 0.275 1.00 0.00 C ATOM 1962 CE LYS B 129 5.055 13.205 -0.259 1.00 0.00 C ATOM 1963 NZ LYS B 129 6.361 12.784 0.297 1.00 0.00 N ATOM 0 H LYS B 129 1.796 10.021 -2.353 1.00 0.00 H new ATOM 0 HA LYS B 129 3.149 8.403 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS B 129 1.583 10.991 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.379 10.264 1.119 1.00 0.00 H new ATOM 0 HG2 LYS B 129 4.576 10.387 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS B 129 3.781 11.112 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS B 129 2.944 12.961 0.103 1.00 0.00 H new ATOM 0 HD3 LYS B 129 3.965 12.278 1.353 1.00 0.00 H new ATOM 0 HE2 LYS B 129 5.087 13.112 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS B 129 4.898 14.260 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.911 13.625 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.206 12.188 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 6.885 12.243 -0.420 1.00 0.00 H new ATOM 1977 N LYS B 130 -0.126 8.254 -0.116 1.00 0.00 N ATOM 1978 CA LYS B 130 -1.231 7.463 0.455 1.00 0.00 C ATOM 1979 C LYS B 130 -1.194 5.947 0.148 1.00 0.00 C ATOM 1980 O LYS B 130 -2.059 5.219 0.640 1.00 0.00 O ATOM 1981 CB LYS B 130 -2.573 8.089 0.042 1.00 0.00 C ATOM 1982 CG LYS B 130 -2.915 9.348 0.853 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.332 9.856 0.554 1.00 0.00 C ATOM 1984 CE LYS B 130 -5.458 8.903 0.998 1.00 0.00 C ATOM 1985 NZ LYS B 130 -5.499 8.707 2.470 1.00 0.00 N ATOM 0 H LYS B 130 -0.446 8.918 -0.821 1.00 0.00 H new ATOM 0 HA LYS B 130 -1.105 7.509 1.537 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -2.540 8.342 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -3.367 7.353 0.169 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -2.825 9.130 1.917 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -2.193 10.133 0.626 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.471 10.818 1.047 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -4.423 10.031 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -6.416 9.299 0.662 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -5.324 7.937 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -6.295 8.085 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -4.609 8.272 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -5.621 9.627 2.939 1.00 0.00 H new ATOM 1999 N THR B 131 -0.181 5.442 -0.578 1.00 0.00 N ATOM 2000 CA THR B 131 0.230 4.018 -0.536 1.00 0.00 C ATOM 2001 C THR B 131 0.711 3.612 0.865 1.00 0.00 C ATOM 2002 O THR B 131 0.662 2.437 1.220 1.00 0.00 O ATOM 2003 CB THR B 131 1.346 3.733 -1.557 1.00 0.00 C ATOM 2004 OG1 THR B 131 1.017 4.281 -2.807 1.00 0.00 O ATOM 2005 CG2 THR B 131 1.575 2.241 -1.805 1.00 0.00 C ATOM 0 H THR B 131 0.381 6.008 -1.214 1.00 0.00 H new ATOM 0 HA THR B 131 -0.650 3.427 -0.791 1.00 0.00 H new ATOM 0 HB THR B 131 2.244 4.176 -1.126 1.00 0.00 H new ATOM 0 HG1 THR B 131 1.234 5.237 -2.813 1.00 0.00 H new ATOM 0 HG21 THR B 131 2.375 2.112 -2.535 1.00 0.00 H new ATOM 0 HG22 THR B 131 1.855 1.756 -0.870 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.659 1.791 -2.187 1.00 0.00 H new ATOM 2013 N GLY B 132 1.175 4.585 1.660 1.00 0.00 N ATOM 2014 CA GLY B 132 1.898 4.423 2.925 1.00 0.00 C ATOM 2015 C GLY B 132 3.422 4.403 2.757 1.00 0.00 C ATOM 2016 O GLY B 132 4.132 4.091 3.712 1.00 0.00 O ATOM 0 H GLY B 132 1.046 5.568 1.420 1.00 0.00 H new ATOM 0 HA2 GLY B 132 1.625 5.236 3.598 1.00 0.00 H new ATOM 0 HA3 GLY B 132 1.580 3.495 3.400 1.00 0.00 H new ATOM 2020 N LYS B 133 3.940 4.772 1.579 1.00 0.00 N ATOM 2021 CA LYS B 133 5.364 4.700 1.209 1.00 0.00 C ATOM 2022 C LYS B 133 6.105 6.043 1.200 1.00 0.00 C ATOM 2023 O LYS B 133 5.501 7.115 1.095 1.00 0.00 O ATOM 2024 CB LYS B 133 5.500 3.997 -0.159 1.00 0.00 C ATOM 2025 CG LYS B 133 5.288 2.477 -0.074 1.00 0.00 C ATOM 2026 CD LYS B 133 5.597 1.826 -1.430 1.00 0.00 C ATOM 2027 CE LYS B 133 5.492 0.296 -1.402 1.00 0.00 C ATOM 2028 NZ LYS B 133 6.571 -0.346 -0.608 1.00 0.00 N ATOM 0 H LYS B 133 3.359 5.143 0.827 1.00 0.00 H new ATOM 0 HA LYS B 133 5.850 4.124 1.996 1.00 0.00 H new ATOM 0 HB2 LYS B 133 4.775 4.422 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS B 133 6.490 4.198 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS B 133 5.933 2.054 0.697 1.00 0.00 H new ATOM 0 HG3 LYS B 133 4.260 2.261 0.216 1.00 0.00 H new ATOM 0 HD2 LYS B 133 4.909 2.218 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS B 133 6.602 2.109 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.525 0.011 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.525 -0.084 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 6.373 -1.363 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 7.483 -0.215 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 6.613 0.089 0.336 1.00 0.00 H new ATOM 2042 N THR B 134 7.438 5.936 1.240 1.00 0.00 N ATOM 2043 CA THR B 134 8.405 6.985 0.925 1.00 0.00 C ATOM 2044 C THR B 134 8.314 7.280 -0.568 1.00 0.00 C ATOM 2045 O THR B 134 8.680 6.445 -1.395 1.00 0.00 O ATOM 2046 CB THR B 134 9.810 6.516 1.316 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.807 6.150 2.677 1.00 0.00 O ATOM 2048 CG2 THR B 134 10.860 7.605 1.122 1.00 0.00 C ATOM 0 H THR B 134 7.893 5.064 1.509 1.00 0.00 H new ATOM 0 HA THR B 134 8.190 7.896 1.483 1.00 0.00 H new ATOM 0 HB THR B 134 10.065 5.675 0.671 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.702 5.847 2.936 1.00 0.00 H new ATOM 0 HG21 THR B 134 11.838 7.223 1.413 1.00 0.00 H new ATOM 0 HG22 THR B 134 10.884 7.904 0.074 1.00 0.00 H new ATOM 0 HG23 THR B 134 10.609 8.467 1.740 1.00 0.00 H new ATOM 2056 N VAL B 135 7.800 8.456 -0.905 1.00 0.00 N ATOM 2057 CA VAL B 135 7.637 8.950 -2.290 1.00 0.00 C ATOM 2058 C VAL B 135 8.177 10.379 -2.435 1.00 0.00 C ATOM 2059 O VAL B 135 7.879 11.237 -1.605 1.00 0.00 O ATOM 2060 CB VAL B 135 6.155 8.907 -2.738 1.00 0.00 C ATOM 2061 CG1 VAL B 135 5.968 9.402 -4.185 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.568 7.487 -2.622 1.00 0.00 C ATOM 0 H VAL B 135 7.470 9.123 -0.208 1.00 0.00 H new ATOM 0 HA VAL B 135 8.214 8.286 -2.934 1.00 0.00 H new ATOM 0 HB VAL B 135 5.622 9.578 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.913 9.353 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL B 135 6.315 10.432 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL B 135 6.544 8.772 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.527 7.496 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL B 135 6.138 6.805 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL B 135 5.623 7.154 -1.586 1.00 0.00 H new ATOM 2072 N SER B 136 8.916 10.650 -3.517 1.00 0.00 N ATOM 2073 CA SER B 136 9.474 11.981 -3.831 1.00 0.00 C ATOM 2074 C SER B 136 9.200 12.407 -5.285 1.00 0.00 C ATOM 2075 O SER B 136 9.205 11.581 -6.204 1.00 0.00 O ATOM 2076 CB SER B 136 10.991 12.007 -3.586 1.00 0.00 C ATOM 2077 OG SER B 136 11.310 11.740 -2.231 1.00 0.00 O ATOM 0 H SER B 136 9.150 9.943 -4.214 1.00 0.00 H new ATOM 0 HA SER B 136 8.974 12.686 -3.167 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.475 11.269 -4.226 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.388 12.982 -3.868 1.00 0.00 H new ATOM 0 HG SER B 136 12.283 11.763 -2.113 1.00 0.00 H new ATOM 2083 N TYR B 137 8.987 13.707 -5.517 1.00 0.00 N ATOM 2084 CA TYR B 137 8.748 14.267 -6.855 1.00 0.00 C ATOM 2085 C TYR B 137 10.061 14.474 -7.645 1.00 0.00 C ATOM 2086 O TYR B 137 11.018 15.078 -7.145 1.00 0.00 O ATOM 2087 CB TYR B 137 7.926 15.564 -6.717 1.00 0.00 C ATOM 2088 CG TYR B 137 7.629 16.309 -8.011 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.219 15.616 -9.169 1.00 0.00 C ATOM 2090 CD2 TYR B 137 7.788 17.709 -8.065 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.041 16.300 -10.384 1.00 0.00 C ATOM 2092 CE2 TYR B 137 7.585 18.405 -9.273 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.236 17.697 -10.445 1.00 0.00 C ATOM 2094 OH TYR B 137 7.127 18.352 -11.632 1.00 0.00 O ATOM 0 H TYR B 137 8.975 14.408 -4.776 1.00 0.00 H new ATOM 0 HA TYR B 137 8.172 13.552 -7.443 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.979 15.320 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR B 137 8.459 16.239 -6.047 1.00 0.00 H new ATOM 0 HD1 TYR B 137 7.040 14.552 -9.122 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.067 18.252 -7.174 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.755 15.756 -11.272 1.00 0.00 H new ATOM 0 HE2 TYR B 137 7.696 19.479 -9.303 1.00 0.00 H new ATOM 0 HH TYR B 137 6.399 17.958 -12.157 1.00 0.00 H new ATOM 2104 N LEU B 138 10.085 13.964 -8.883 1.00 0.00 N ATOM 2105 CA LEU B 138 11.122 14.148 -9.909 1.00 0.00 C ATOM 2106 C LEU B 138 10.712 15.313 -10.836 1.00 0.00 C ATOM 2107 O LEU B 138 9.961 16.188 -10.415 1.00 0.00 O ATOM 2108 CB LEU B 138 11.421 12.816 -10.630 1.00 0.00 C ATOM 2109 CG LEU B 138 11.899 11.658 -9.730 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.001 10.377 -10.574 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.253 11.957 -9.070 1.00 0.00 C ATOM 0 H LEU B 138 9.327 13.370 -9.219 1.00 0.00 H new ATOM 0 HA LEU B 138 12.072 14.433 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU B 138 10.519 12.497 -11.152 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.181 12.998 -11.390 1.00 0.00 H new ATOM 0 HG LEU B 138 11.171 11.530 -8.929 1.00 0.00 H new ATOM 0 HD11 LEU B 138 12.338 9.553 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU B 138 11.023 10.138 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU B 138 12.714 10.531 -11.384 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.548 11.113 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.006 12.119 -9.841 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.167 12.852 -8.453 1.00 0.00 H new ATOM 2123 N GLY B 139 11.328 15.472 -12.007 1.00 0.00 N ATOM 2124 CA GLY B 139 11.144 16.641 -12.877 1.00 0.00 C ATOM 2125 C GLY B 139 9.904 16.624 -13.781 1.00 0.00 C ATOM 2126 O GLY B 139 9.261 15.598 -14.024 1.00 0.00 O ATOM 0 H GLY B 139 11.979 14.784 -12.386 1.00 0.00 H new ATOM 0 HA2 GLY B 139 11.099 17.531 -12.250 1.00 0.00 H new ATOM 0 HA3 GLY B 139 12.027 16.741 -13.508 1.00 0.00 H new ATOM 2130 N LEU B 140 9.620 17.809 -14.330 1.00 0.00 N ATOM 2131 CA LEU B 140 8.766 18.043 -15.499 1.00 0.00 C ATOM 2132 C LEU B 140 9.460 17.546 -16.780 1.00 0.00 C ATOM 2133 O LEU B 140 10.690 17.575 -16.886 1.00 0.00 O ATOM 2134 CB LEU B 140 8.499 19.563 -15.574 1.00 0.00 C ATOM 2135 CG LEU B 140 7.496 20.027 -16.653 1.00 0.00 C ATOM 2136 CD1 LEU B 140 6.055 19.665 -16.268 1.00 0.00 C ATOM 2137 CD2 LEU B 140 7.618 21.542 -16.852 1.00 0.00 C ATOM 0 H LEU B 140 10.000 18.677 -13.951 1.00 0.00 H new ATOM 0 HA LEU B 140 7.828 17.496 -15.408 1.00 0.00 H new ATOM 0 HB2 LEU B 140 8.134 19.895 -14.602 1.00 0.00 H new ATOM 0 HB3 LEU B 140 9.448 20.069 -15.748 1.00 0.00 H new ATOM 0 HG LEU B 140 7.734 19.513 -17.584 1.00 0.00 H new ATOM 0 HD11 LEU B 140 5.374 20.005 -17.048 1.00 0.00 H new ATOM 0 HD12 LEU B 140 5.969 18.584 -16.157 1.00 0.00 H new ATOM 0 HD13 LEU B 140 5.798 20.148 -15.325 1.00 0.00 H new ATOM 0 HD21 LEU B 140 6.909 21.867 -17.614 1.00 0.00 H new ATOM 0 HD22 LEU B 140 7.400 22.051 -15.913 1.00 0.00 H new ATOM 0 HD23 LEU B 140 8.631 21.787 -17.171 1.00 0.00 H new ATOM 2149 N GLU B 141 8.680 17.143 -17.785 1.00 0.00 N ATOM 2150 CA GLU B 141 9.157 16.853 -19.150 1.00 0.00 C ATOM 2151 C GLU B 141 9.078 18.069 -20.088 1.00 0.00 C ATOM 2152 O GLU B 141 7.984 18.367 -20.633 1.00 0.00 O ATOM 2153 CB GLU B 141 8.372 15.649 -19.685 1.00 0.00 C ATOM 2154 CG GLU B 141 8.971 15.064 -20.968 1.00 0.00 C ATOM 2155 CD GLU B 141 10.262 14.282 -20.697 1.00 0.00 C ATOM 2156 OE1 GLU B 141 10.186 13.140 -20.177 1.00 0.00 O ATOM 2157 OE2 GLU B 141 11.367 14.775 -21.037 1.00 0.00 O ATOM 2158 OXT GLU B 141 10.127 18.718 -20.304 1.00 0.00 O ATOM 0 H GLU B 141 7.675 17.004 -17.676 1.00 0.00 H new ATOM 0 HA GLU B 141 10.219 16.611 -19.110 1.00 0.00 H new ATOM 0 HB2 GLU B 141 8.341 14.874 -18.919 1.00 0.00 H new ATOM 0 HB3 GLU B 141 7.342 15.950 -19.876 1.00 0.00 H new ATOM 0 HG2 GLU B 141 8.242 14.406 -21.441 1.00 0.00 H new ATOM 0 HG3 GLU B 141 9.177 15.870 -21.672 1.00 0.00 H new