USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 997 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 ASN : amide:sc= 0.505 X(o=1.2,f=0.77) USER MOD Set 1.2: A 11 THR OG1 : rot 75:sc= 0.676 USER MOD Set 1.3: A 122 SER OG : rot 180:sc= 0.00893 USER MOD Set 2.1: A 17 MET CE :methyl -147:sc= -1.83 (180deg=-3.92!) USER MOD Set 2.2: A 113 HIS : no HD1:sc= -0.0457 K(o=-1.9,f=-2.8) USER MOD Set 3.1: A 25 THR OG1 : rot -132:sc= 0.422 USER MOD Set 3.2: A 98 MET CE :methyl -112:sc= -0.0154 (180deg=-1.08) USER MOD Set 3.3: A 111 LYS NZ :NH3+ -146:sc= 1.03 (180deg=0) USER MOD Set 3.4: A 112 ASN : amide:sc= 0.509 K(o=1.9,f=-2.1) USER MOD Set 4.1: A 37 TYR OH : rot -150:sc= -0.0101 USER MOD Set 4.2: A 49 HIS : no HE2:sc= -0.0458 K(o=-0.85,f=-2.5) USER MOD Set 4.3: A 77 HIS : no HE2:sc= -0.134 K(o=-0.85,f=-2.7) USER MOD Set 4.4: A 78 MET CE :methyl -134:sc= -0.645 (180deg=-3.98!) USER MOD Set 4.5: A 81 MET CE :methyl 166:sc= -0.017 (180deg=0) USER MOD Set 5.1: A 31 THR OG1 : rot 140:sc= 0.687 USER MOD Set 5.2: A 54 GLN : amide:sc= -0.607 X(o=0.84,f=1) USER MOD Set 5.3: A 93 LYS NZ :NH3+ 166:sc= 0.761 (180deg=-0.00432) USER MOD Set 6.1: A 1 MET N :NH3+ 171:sc= 1.21 (180deg=0.282) USER MOD Set 6.2: A 97 TYR OH : rot -155:sc= 0.883 USER MOD Single : A 1 MET CE :methyl -123:sc= -1.43 (180deg=-3.35!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -158:sc= 1.21 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 12 SER OG : rot -79:sc= -0.31 USER MOD Single : A 13 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-2.7!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -163:sc= 0.152 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.271 USER MOD Single : A 36 SER OG : rot 25:sc= 0.135 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -61:sc= 0.408 USER MOD Single : A 41 ASN : amide:sc= -2.93! C(o=-2.9!,f=-6.7!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 48 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= 1.17 (180deg=0.127) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0.381 (180deg=0.319) USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= -0.0673 (180deg=-1.48!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.874 K(o=-0.87,f=-3.8!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.187 USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= -0.0188 (180deg=-0.122) USER MOD Single : A 82 LYS NZ :NH3+ 132:sc= 1.53 (180deg=0.205) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 84:sc= 0.135 USER MOD Single : A 94 THR OG1 : rot 133:sc= 0.0588 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 105 THR OG1 : rot -50:sc= -0.0397 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0598) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 124 LYS NZ :NH3+ 150:sc= 1.03 (180deg=0.34) USER MOD Single : A 127 HIS : no HD1:sc= 0.0223 K(o=0.022,f=-0.56) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.926 15.844 -1.697 1.00 11.23 N ATOM 2 CA MET A 1 -4.666 15.823 -3.160 1.00 44.13 C ATOM 3 C MET A 1 -5.939 15.381 -3.920 1.00 51.11 C ATOM 4 O MET A 1 -6.619 14.439 -3.493 1.00 70.55 O ATOM 5 CB MET A 1 -3.476 14.874 -3.462 1.00 22.44 C ATOM 6 CG MET A 1 -2.977 14.911 -4.909 1.00 71.34 C ATOM 7 SD MET A 1 -2.319 16.525 -5.388 1.00 54.24 S ATOM 8 CE MET A 1 -0.952 16.716 -4.240 1.00 24.31 C ATOM 0 H1 MET A 1 -4.032 15.992 -1.188 1.00 11.23 H new ATOM 0 H2 MET A 1 -5.584 16.617 -1.472 1.00 11.23 H new ATOM 0 H3 MET A 1 -5.344 14.937 -1.406 1.00 11.23 H new ATOM 0 HA MET A 1 -4.404 16.825 -3.499 1.00 44.13 H new ATOM 0 HB2 MET A 1 -2.648 15.130 -2.800 1.00 22.44 H new ATOM 0 HB3 MET A 1 -3.773 13.853 -3.221 1.00 22.44 H new ATOM 0 HG2 MET A 1 -2.202 14.156 -5.040 1.00 71.34 H new ATOM 0 HG3 MET A 1 -3.797 14.646 -5.577 1.00 71.34 H new ATOM 0 HE1 MET A 1 -1.082 17.635 -3.669 1.00 24.31 H new ATOM 0 HE2 MET A 1 -0.927 15.865 -3.559 1.00 24.31 H new ATOM 0 HE3 MET A 1 -0.015 16.764 -4.795 1.00 24.31 H new ATOM 20 N LYS A 2 -6.263 16.072 -5.034 1.00 22.43 N ATOM 21 CA LYS A 2 -7.475 15.776 -5.838 1.00 32.43 C ATOM 22 C LYS A 2 -7.187 14.789 -6.995 1.00 21.13 C ATOM 23 O LYS A 2 -6.046 14.654 -7.456 1.00 70.22 O ATOM 24 CB LYS A 2 -8.094 17.091 -6.407 1.00 71.01 C ATOM 25 CG LYS A 2 -8.532 18.132 -5.340 1.00 63.40 C ATOM 26 CD LYS A 2 -9.505 17.550 -4.276 1.00 51.00 C ATOM 27 CE LYS A 2 -10.818 17.009 -4.872 1.00 42.21 C ATOM 28 NZ LYS A 2 -11.654 16.333 -3.848 1.00 22.12 N ATOM 0 H LYS A 2 -5.702 16.841 -5.400 1.00 22.43 H new ATOM 0 HA LYS A 2 -8.189 15.300 -5.166 1.00 32.43 H new ATOM 0 HB2 LYS A 2 -7.366 17.559 -7.070 1.00 71.01 H new ATOM 0 HB3 LYS A 2 -8.960 16.832 -7.016 1.00 71.01 H new ATOM 0 HG2 LYS A 2 -7.647 18.522 -4.838 1.00 63.40 H new ATOM 0 HG3 LYS A 2 -9.012 18.974 -5.839 1.00 63.40 H new ATOM 0 HD2 LYS A 2 -9.002 16.747 -3.737 1.00 51.00 H new ATOM 0 HD3 LYS A 2 -9.739 18.326 -3.547 1.00 51.00 H new ATOM 0 HE2 LYS A 2 -11.381 17.830 -5.316 1.00 42.21 H new ATOM 0 HE3 LYS A 2 -10.590 16.308 -5.675 1.00 42.21 H new ATOM 0 HZ1 LYS A 2 -12.528 15.983 -4.289 1.00 22.12 H new ATOM 0 HZ2 LYS A 2 -11.127 15.533 -3.442 1.00 22.12 H new ATOM 0 HZ3 LYS A 2 -11.893 17.008 -3.094 1.00 22.12 H new ATOM 42 N VAL A 3 -8.248 14.092 -7.438 1.00 41.21 N ATOM 43 CA VAL A 3 -8.218 13.213 -8.625 1.00 3.44 C ATOM 44 C VAL A 3 -8.042 14.050 -9.931 1.00 11.23 C ATOM 45 O VAL A 3 -8.686 15.087 -10.111 1.00 30.12 O ATOM 46 CB VAL A 3 -9.526 12.333 -8.693 1.00 75.04 C ATOM 47 CG1 VAL A 3 -9.553 11.429 -9.947 1.00 22.13 C ATOM 48 CG2 VAL A 3 -9.694 11.484 -7.403 1.00 64.04 C ATOM 0 H VAL A 3 -9.159 14.122 -6.980 1.00 41.21 H new ATOM 0 HA VAL A 3 -7.361 12.546 -8.536 1.00 3.44 H new ATOM 0 HB VAL A 3 -10.369 13.020 -8.768 1.00 75.04 H new ATOM 0 HG11 VAL A 3 -10.471 10.841 -9.952 1.00 22.13 H new ATOM 0 HG12 VAL A 3 -9.514 12.048 -10.843 1.00 22.13 H new ATOM 0 HG13 VAL A 3 -8.693 10.759 -9.931 1.00 22.13 H new ATOM 0 HG21 VAL A 3 -10.603 10.887 -7.476 1.00 64.04 H new ATOM 0 HG22 VAL A 3 -8.835 10.824 -7.288 1.00 64.04 H new ATOM 0 HG23 VAL A 3 -9.762 12.145 -6.539 1.00 64.04 H new ATOM 58 N GLY A 4 -7.165 13.571 -10.824 1.00 12.12 N ATOM 59 CA GLY A 4 -6.778 14.293 -12.044 1.00 74.13 C ATOM 60 C GLY A 4 -5.474 15.097 -11.891 1.00 12.02 C ATOM 61 O GLY A 4 -4.918 15.564 -12.889 1.00 71.04 O ATOM 0 H GLY A 4 -6.702 12.668 -10.720 1.00 12.12 H new ATOM 0 HA2 GLY A 4 -6.662 13.578 -12.859 1.00 74.13 H new ATOM 0 HA3 GLY A 4 -7.583 14.971 -12.327 1.00 74.13 H new ATOM 65 N SER A 5 -4.985 15.258 -10.641 1.00 33.34 N ATOM 66 CA SER A 5 -3.746 16.033 -10.342 1.00 12.32 C ATOM 67 C SER A 5 -2.471 15.237 -10.705 1.00 25.25 C ATOM 68 O SER A 5 -2.403 14.036 -10.464 1.00 12.44 O ATOM 69 CB SER A 5 -3.693 16.417 -8.844 1.00 4.21 C ATOM 70 OG SER A 5 -2.493 17.113 -8.517 1.00 21.00 O ATOM 0 H SER A 5 -5.429 14.861 -9.813 1.00 33.34 H new ATOM 0 HA SER A 5 -3.778 16.935 -10.953 1.00 12.32 H new ATOM 0 HB2 SER A 5 -4.553 17.040 -8.598 1.00 4.21 H new ATOM 0 HB3 SER A 5 -3.768 15.516 -8.235 1.00 4.21 H new ATOM 0 HG SER A 5 -2.319 17.031 -7.556 1.00 21.00 H new ATOM 76 N GLN A 6 -1.452 15.924 -11.255 1.00 74.34 N ATOM 77 CA GLN A 6 -0.159 15.301 -11.627 1.00 4.01 C ATOM 78 C GLN A 6 0.899 15.568 -10.529 1.00 43.33 C ATOM 79 O GLN A 6 1.210 16.720 -10.206 1.00 64.32 O ATOM 80 CB GLN A 6 0.322 15.819 -13.008 1.00 2.40 C ATOM 81 CG GLN A 6 -0.649 15.499 -14.171 1.00 65.23 C ATOM 82 CD GLN A 6 -0.095 15.838 -15.565 1.00 60.25 C ATOM 83 OE1 GLN A 6 0.722 16.734 -15.727 1.00 11.10 O ATOM 84 NE2 GLN A 6 -0.537 15.123 -16.583 1.00 60.14 N ATOM 0 H GLN A 6 -1.497 16.923 -11.455 1.00 74.34 H new ATOM 0 HA GLN A 6 -0.300 14.223 -11.708 1.00 4.01 H new ATOM 0 HB2 GLN A 6 0.462 16.898 -12.951 1.00 2.40 H new ATOM 0 HB3 GLN A 6 1.296 15.382 -13.230 1.00 2.40 H new ATOM 0 HG2 GLN A 6 -0.899 14.439 -14.140 1.00 65.23 H new ATOM 0 HG3 GLN A 6 -1.577 16.050 -14.017 1.00 65.23 H new ATOM 0 HE21 GLN A 6 -1.218 14.380 -16.427 1.00 60.14 H new ATOM 0 HE22 GLN A 6 -0.197 15.313 -17.526 1.00 60.14 H new ATOM 93 N VAL A 7 1.446 14.484 -9.967 1.00 70.43 N ATOM 94 CA VAL A 7 2.345 14.523 -8.794 1.00 54.14 C ATOM 95 C VAL A 7 3.683 13.811 -9.081 1.00 3.41 C ATOM 96 O VAL A 7 3.782 12.969 -9.965 1.00 40.14 O ATOM 97 CB VAL A 7 1.661 13.863 -7.530 1.00 41.31 C ATOM 98 CG1 VAL A 7 0.394 14.643 -7.102 1.00 54.02 C ATOM 99 CG2 VAL A 7 1.326 12.365 -7.779 1.00 31.10 C ATOM 0 H VAL A 7 1.278 13.540 -10.314 1.00 70.43 H new ATOM 0 HA VAL A 7 2.546 15.574 -8.585 1.00 54.14 H new ATOM 0 HB VAL A 7 2.381 13.913 -6.713 1.00 41.31 H new ATOM 0 HG11 VAL A 7 -0.052 14.163 -6.231 1.00 54.02 H new ATOM 0 HG12 VAL A 7 0.665 15.669 -6.852 1.00 54.02 H new ATOM 0 HG13 VAL A 7 -0.325 14.647 -7.921 1.00 54.02 H new ATOM 0 HG21 VAL A 7 0.857 11.944 -6.889 1.00 31.10 H new ATOM 0 HG22 VAL A 7 0.642 12.281 -8.624 1.00 31.10 H new ATOM 0 HG23 VAL A 7 2.243 11.819 -7.999 1.00 31.10 H new ATOM 109 N ILE A 8 4.715 14.192 -8.331 1.00 2.50 N ATOM 110 CA ILE A 8 5.973 13.429 -8.234 1.00 23.13 C ATOM 111 C ILE A 8 5.992 12.685 -6.879 1.00 61.42 C ATOM 112 O ILE A 8 5.646 13.260 -5.834 1.00 73.13 O ATOM 113 CB ILE A 8 7.230 14.366 -8.364 1.00 14.52 C ATOM 114 CG1 ILE A 8 7.223 15.122 -9.733 1.00 25.35 C ATOM 115 CG2 ILE A 8 8.568 13.595 -8.158 1.00 12.32 C ATOM 116 CD1 ILE A 8 7.400 14.245 -10.958 1.00 72.03 C ATOM 0 H ILE A 8 4.709 15.042 -7.768 1.00 2.50 H new ATOM 0 HA ILE A 8 6.020 12.715 -9.056 1.00 23.13 H new ATOM 0 HB ILE A 8 7.163 15.102 -7.563 1.00 14.52 H new ATOM 0 HG12 ILE A 8 6.281 15.662 -9.826 1.00 25.35 H new ATOM 0 HG13 ILE A 8 8.018 15.867 -9.722 1.00 25.35 H new ATOM 0 HG21 ILE A 8 9.405 14.286 -8.258 1.00 12.32 H new ATOM 0 HG22 ILE A 8 8.582 13.149 -7.163 1.00 12.32 H new ATOM 0 HG23 ILE A 8 8.655 12.809 -8.909 1.00 12.32 H new ATOM 0 HD11 ILE A 8 7.381 14.864 -11.855 1.00 72.03 H new ATOM 0 HD12 ILE A 8 8.355 13.724 -10.897 1.00 72.03 H new ATOM 0 HD13 ILE A 8 6.591 13.516 -11.003 1.00 72.03 H new ATOM 128 N ILE A 9 6.395 11.412 -6.910 1.00 54.02 N ATOM 129 CA ILE A 9 6.412 10.546 -5.720 1.00 42.04 C ATOM 130 C ILE A 9 7.770 10.698 -4.998 1.00 71.22 C ATOM 131 O ILE A 9 8.808 10.443 -5.590 1.00 33.11 O ATOM 132 CB ILE A 9 6.142 9.050 -6.130 1.00 5.50 C ATOM 133 CG1 ILE A 9 4.785 8.950 -6.910 1.00 55.01 C ATOM 134 CG2 ILE A 9 6.166 8.108 -4.901 1.00 43.31 C ATOM 135 CD1 ILE A 9 4.349 7.551 -7.307 1.00 33.25 C ATOM 0 H ILE A 9 6.719 10.949 -7.759 1.00 54.02 H new ATOM 0 HA ILE A 9 5.619 10.846 -5.034 1.00 42.04 H new ATOM 0 HB ILE A 9 6.945 8.721 -6.789 1.00 5.50 H new ATOM 0 HG12 ILE A 9 4.001 9.393 -6.295 1.00 55.01 H new ATOM 0 HG13 ILE A 9 4.862 9.555 -7.813 1.00 55.01 H new ATOM 0 HG21 ILE A 9 5.976 7.084 -5.223 1.00 43.31 H new ATOM 0 HG22 ILE A 9 7.143 8.162 -4.421 1.00 43.31 H new ATOM 0 HG23 ILE A 9 5.396 8.414 -4.193 1.00 43.31 H new ATOM 0 HD11 ILE A 9 3.399 7.603 -7.840 1.00 33.25 H new ATOM 0 HD12 ILE A 9 5.104 7.104 -7.954 1.00 33.25 H new ATOM 0 HD13 ILE A 9 4.230 6.939 -6.413 1.00 33.25 H new ATOM 147 N ASN A 10 7.762 11.142 -3.724 1.00 62.20 N ATOM 148 CA ASN A 10 9.012 11.404 -2.956 1.00 55.52 C ATOM 149 C ASN A 10 9.468 10.154 -2.150 1.00 72.23 C ATOM 150 O ASN A 10 10.665 9.972 -1.900 1.00 64.23 O ATOM 151 CB ASN A 10 8.840 12.636 -2.018 1.00 23.30 C ATOM 152 CG ASN A 10 7.702 12.493 -1.001 1.00 53.32 C ATOM 153 OD1 ASN A 10 7.868 11.905 0.061 1.00 61.31 O ATOM 154 ND2 ASN A 10 6.550 13.060 -1.295 1.00 50.14 N ATOM 0 H ASN A 10 6.907 11.329 -3.199 1.00 62.20 H new ATOM 0 HA ASN A 10 9.796 11.629 -3.679 1.00 55.52 H new ATOM 0 HB2 ASN A 10 9.774 12.804 -1.481 1.00 23.30 H new ATOM 0 HB3 ASN A 10 8.659 13.521 -2.628 1.00 23.30 H new ATOM 0 HD21 ASN A 10 5.775 13.014 -0.633 1.00 50.14 H new ATOM 0 HD22 ASN A 10 6.433 13.545 -2.185 1.00 50.14 H new ATOM 161 N THR A 11 8.497 9.314 -1.755 1.00 63.14 N ATOM 162 CA THR A 11 8.735 8.085 -0.949 1.00 3.34 C ATOM 163 C THR A 11 7.904 6.925 -1.527 1.00 72.34 C ATOM 164 O THR A 11 6.770 7.142 -1.948 1.00 2.23 O ATOM 165 CB THR A 11 8.322 8.305 0.550 1.00 65.42 C ATOM 166 OG1 THR A 11 9.030 9.424 1.097 1.00 23.51 O ATOM 167 CG2 THR A 11 8.575 7.068 1.437 1.00 4.30 C ATOM 0 H THR A 11 7.514 9.462 -1.983 1.00 63.14 H new ATOM 0 HA THR A 11 9.799 7.851 -0.991 1.00 3.34 H new ATOM 0 HB THR A 11 7.248 8.492 0.548 1.00 65.42 H new ATOM 0 HG1 THR A 11 8.645 10.256 0.751 1.00 23.51 H new ATOM 0 HG21 THR A 11 8.269 7.285 2.460 1.00 4.30 H new ATOM 0 HG22 THR A 11 7.999 6.224 1.057 1.00 4.30 H new ATOM 0 HG23 THR A 11 9.636 6.820 1.421 1.00 4.30 H new ATOM 175 N SER A 12 8.463 5.700 -1.540 1.00 60.44 N ATOM 176 CA SER A 12 7.727 4.495 -1.995 1.00 54.04 C ATOM 177 C SER A 12 8.486 3.194 -1.671 1.00 40.50 C ATOM 178 O SER A 12 9.630 3.215 -1.204 1.00 55.30 O ATOM 179 CB SER A 12 7.438 4.553 -3.514 1.00 72.12 C ATOM 180 OG SER A 12 8.615 4.403 -4.284 1.00 21.43 O ATOM 0 H SER A 12 9.421 5.514 -1.242 1.00 60.44 H new ATOM 0 HA SER A 12 6.784 4.489 -1.449 1.00 54.04 H new ATOM 0 HB2 SER A 12 6.729 3.768 -3.778 1.00 72.12 H new ATOM 0 HB3 SER A 12 6.965 5.504 -3.757 1.00 72.12 H new ATOM 0 HG SER A 12 9.103 5.253 -4.305 1.00 21.43 H new ATOM 186 N HIS A 13 7.817 2.055 -1.943 1.00 53.43 N ATOM 187 CA HIS A 13 8.380 0.696 -1.733 1.00 4.31 C ATOM 188 C HIS A 13 8.945 0.080 -3.042 1.00 4.55 C ATOM 189 O HIS A 13 9.418 -1.064 -3.044 1.00 35.31 O ATOM 190 CB HIS A 13 7.291 -0.216 -1.114 1.00 13.42 C ATOM 191 CG HIS A 13 6.878 0.200 0.279 1.00 24.53 C ATOM 192 ND1 HIS A 13 7.108 -0.616 1.359 1.00 63.33 N ATOM 193 CD2 HIS A 13 6.285 1.348 0.715 1.00 74.43 C ATOM 194 CE1 HIS A 13 6.662 0.035 2.408 1.00 31.20 C ATOM 195 NE2 HIS A 13 6.154 1.229 2.068 1.00 3.25 N ATOM 0 H HIS A 13 6.868 2.047 -2.316 1.00 53.43 H new ATOM 0 HA HIS A 13 9.223 0.779 -1.047 1.00 4.31 H new ATOM 0 HB2 HIS A 13 6.414 -0.212 -1.761 1.00 13.42 H new ATOM 0 HB3 HIS A 13 7.660 -1.241 -1.084 1.00 13.42 H new ATOM 0 HD1 HIS A 13 7.538 -1.541 1.348 1.00 63.33 H new ATOM 0 HD2 HIS A 13 5.979 2.187 0.108 1.00 74.43 H new ATOM 0 HE1 HIS A 13 6.699 -0.344 3.419 1.00 31.20 H new ATOM 203 N MET A 14 8.896 0.850 -4.151 1.00 24.42 N ATOM 204 CA MET A 14 9.486 0.451 -5.451 1.00 63.04 C ATOM 205 C MET A 14 10.639 1.422 -5.809 1.00 34.24 C ATOM 206 O MET A 14 10.448 2.649 -5.799 1.00 23.40 O ATOM 207 CB MET A 14 8.415 0.447 -6.585 1.00 63.04 C ATOM 208 CG MET A 14 7.218 -0.489 -6.364 1.00 3.33 C ATOM 209 SD MET A 14 7.704 -2.218 -6.200 1.00 13.43 S ATOM 210 CE MET A 14 6.108 -3.043 -6.164 1.00 73.25 C ATOM 0 H MET A 14 8.447 1.766 -4.172 1.00 24.42 H new ATOM 0 HA MET A 14 9.873 -0.564 -5.359 1.00 63.04 H new ATOM 0 HB2 MET A 14 8.041 1.463 -6.710 1.00 63.04 H new ATOM 0 HB3 MET A 14 8.902 0.170 -7.520 1.00 63.04 H new ATOM 0 HG2 MET A 14 6.682 -0.180 -5.466 1.00 3.33 H new ATOM 0 HG3 MET A 14 6.525 -0.389 -7.199 1.00 3.33 H new ATOM 0 HE1 MET A 14 6.256 -4.118 -6.066 1.00 73.25 H new ATOM 0 HE2 MET A 14 5.529 -2.678 -5.316 1.00 73.25 H new ATOM 0 HE3 MET A 14 5.570 -2.834 -7.088 1.00 73.25 H new ATOM 220 N LYS A 15 11.824 0.859 -6.111 1.00 21.02 N ATOM 221 CA LYS A 15 13.045 1.622 -6.494 1.00 23.34 C ATOM 222 C LYS A 15 12.795 2.616 -7.671 1.00 61.10 C ATOM 223 O LYS A 15 13.251 3.764 -7.632 1.00 15.44 O ATOM 224 CB LYS A 15 14.232 0.645 -6.831 1.00 23.41 C ATOM 225 CG LYS A 15 14.069 -0.279 -8.079 1.00 25.24 C ATOM 226 CD LYS A 15 12.965 -1.353 -7.932 1.00 12.35 C ATOM 227 CE LYS A 15 12.785 -2.226 -9.190 1.00 3.41 C ATOM 228 NZ LYS A 15 13.908 -3.175 -9.407 1.00 11.45 N ATOM 0 H LYS A 15 11.971 -0.150 -6.098 1.00 21.02 H new ATOM 0 HA LYS A 15 13.319 2.225 -5.629 1.00 23.34 H new ATOM 0 HB2 LYS A 15 15.132 1.244 -6.970 1.00 23.41 H new ATOM 0 HB3 LYS A 15 14.403 0.010 -5.962 1.00 23.41 H new ATOM 0 HG2 LYS A 15 13.845 0.339 -8.948 1.00 25.24 H new ATOM 0 HG3 LYS A 15 15.019 -0.775 -8.277 1.00 25.24 H new ATOM 0 HD2 LYS A 15 13.205 -1.996 -7.085 1.00 12.35 H new ATOM 0 HD3 LYS A 15 12.020 -0.862 -7.702 1.00 12.35 H new ATOM 0 HE2 LYS A 15 11.854 -2.787 -9.105 1.00 3.41 H new ATOM 0 HE3 LYS A 15 12.689 -1.580 -10.063 1.00 3.41 H new ATOM 0 HZ1 LYS A 15 13.730 -3.733 -10.266 1.00 11.45 H new ATOM 0 HZ2 LYS A 15 14.795 -2.644 -9.517 1.00 11.45 H new ATOM 0 HZ3 LYS A 15 13.986 -3.813 -8.590 1.00 11.45 H new ATOM 242 N GLY A 16 12.034 2.170 -8.690 1.00 34.35 N ATOM 243 CA GLY A 16 11.718 2.990 -9.874 1.00 74.51 C ATOM 244 C GLY A 16 10.534 3.946 -9.684 1.00 24.22 C ATOM 245 O GLY A 16 10.287 4.797 -10.535 1.00 3.35 O ATOM 0 H GLY A 16 11.624 1.237 -8.715 1.00 34.35 H new ATOM 0 HA2 GLY A 16 12.599 3.572 -10.144 1.00 74.51 H new ATOM 0 HA3 GLY A 16 11.504 2.328 -10.713 1.00 74.51 H new ATOM 249 N MET A 17 9.817 3.821 -8.556 1.00 31.34 N ATOM 250 CA MET A 17 8.634 4.663 -8.253 1.00 31.44 C ATOM 251 C MET A 17 9.039 5.856 -7.361 1.00 61.14 C ATOM 252 O MET A 17 8.420 6.925 -7.405 1.00 63.15 O ATOM 253 CB MET A 17 7.517 3.809 -7.595 1.00 13.11 C ATOM 254 CG MET A 17 6.203 4.553 -7.324 1.00 63.24 C ATOM 255 SD MET A 17 4.804 3.452 -7.009 1.00 74.34 S ATOM 256 CE MET A 17 5.303 2.585 -5.524 1.00 23.13 C ATOM 0 H MET A 17 10.034 3.140 -7.828 1.00 31.34 H new ATOM 0 HA MET A 17 8.236 5.066 -9.184 1.00 31.44 H new ATOM 0 HB2 MET A 17 7.307 2.955 -8.239 1.00 13.11 H new ATOM 0 HB3 MET A 17 7.893 3.412 -6.652 1.00 13.11 H new ATOM 0 HG2 MET A 17 6.338 5.211 -6.466 1.00 63.24 H new ATOM 0 HG3 MET A 17 5.971 5.188 -8.179 1.00 63.24 H new ATOM 0 HE1 MET A 17 4.907 1.570 -5.545 1.00 23.13 H new ATOM 0 HE2 MET A 17 6.391 2.549 -5.472 1.00 23.13 H new ATOM 0 HE3 MET A 17 4.915 3.108 -4.650 1.00 23.13 H new ATOM 266 N LYS A 18 10.091 5.654 -6.546 1.00 3.31 N ATOM 267 CA LYS A 18 10.696 6.722 -5.732 1.00 53.35 C ATOM 268 C LYS A 18 11.420 7.740 -6.660 1.00 63.15 C ATOM 269 O LYS A 18 12.351 7.385 -7.393 1.00 25.43 O ATOM 270 CB LYS A 18 11.644 6.083 -4.665 1.00 43.22 C ATOM 271 CG LYS A 18 12.147 7.030 -3.533 1.00 71.23 C ATOM 272 CD LYS A 18 13.371 7.893 -3.929 1.00 21.33 C ATOM 273 CE LYS A 18 13.860 8.801 -2.787 1.00 34.31 C ATOM 274 NZ LYS A 18 15.081 9.557 -3.167 1.00 74.21 N ATOM 0 H LYS A 18 10.544 4.747 -6.434 1.00 3.31 H new ATOM 0 HA LYS A 18 9.930 7.278 -5.191 1.00 53.35 H new ATOM 0 HB2 LYS A 18 11.123 5.244 -4.203 1.00 43.22 H new ATOM 0 HB3 LYS A 18 12.513 5.674 -5.180 1.00 43.22 H new ATOM 0 HG2 LYS A 18 11.331 7.690 -3.236 1.00 71.23 H new ATOM 0 HG3 LYS A 18 12.406 6.430 -2.660 1.00 71.23 H new ATOM 0 HD2 LYS A 18 14.185 7.238 -4.239 1.00 21.33 H new ATOM 0 HD3 LYS A 18 13.111 8.509 -4.790 1.00 21.33 H new ATOM 0 HE2 LYS A 18 13.069 9.500 -2.515 1.00 34.31 H new ATOM 0 HE3 LYS A 18 14.067 8.195 -1.905 1.00 34.31 H new ATOM 0 HZ1 LYS A 18 15.379 10.157 -2.372 1.00 74.21 H new ATOM 0 HZ2 LYS A 18 15.843 8.890 -3.402 1.00 74.21 H new ATOM 0 HZ3 LYS A 18 14.876 10.154 -3.993 1.00 74.21 H new ATOM 288 N GLY A 19 10.963 8.996 -6.601 1.00 11.04 N ATOM 289 CA GLY A 19 11.461 10.082 -7.464 1.00 44.33 C ATOM 290 C GLY A 19 10.802 10.141 -8.855 1.00 31.42 C ATOM 291 O GLY A 19 11.171 10.989 -9.668 1.00 4.42 O ATOM 0 H GLY A 19 10.234 9.293 -5.952 1.00 11.04 H new ATOM 0 HA2 GLY A 19 11.300 11.034 -6.958 1.00 44.33 H new ATOM 0 HA3 GLY A 19 12.537 9.965 -7.590 1.00 44.33 H new ATOM 295 N ALA A 20 9.821 9.252 -9.127 1.00 55.11 N ATOM 296 CA ALA A 20 9.198 9.108 -10.471 1.00 4.51 C ATOM 297 C ALA A 20 8.027 10.089 -10.718 1.00 32.44 C ATOM 298 O ALA A 20 7.452 10.651 -9.778 1.00 73.43 O ATOM 299 CB ALA A 20 8.708 7.666 -10.663 1.00 72.35 C ATOM 0 H ALA A 20 9.437 8.615 -8.429 1.00 55.11 H new ATOM 0 HA ALA A 20 9.972 9.354 -11.199 1.00 4.51 H new ATOM 0 HB1 ALA A 20 8.253 7.565 -11.648 1.00 72.35 H new ATOM 0 HB2 ALA A 20 9.552 6.981 -10.581 1.00 72.35 H new ATOM 0 HB3 ALA A 20 7.971 7.427 -9.896 1.00 72.35 H new ATOM 305 N GLU A 21 7.693 10.261 -12.017 1.00 50.10 N ATOM 306 CA GLU A 21 6.507 11.022 -12.476 1.00 33.00 C ATOM 307 C GLU A 21 5.218 10.180 -12.290 1.00 25.12 C ATOM 308 O GLU A 21 5.224 8.981 -12.580 1.00 55.41 O ATOM 309 CB GLU A 21 6.689 11.418 -13.977 1.00 3.42 C ATOM 310 CG GLU A 21 5.548 12.264 -14.588 1.00 74.44 C ATOM 311 CD GLU A 21 5.415 13.665 -13.958 1.00 53.21 C ATOM 312 OE1 GLU A 21 6.201 14.565 -14.325 1.00 35.42 O ATOM 313 OE2 GLU A 21 4.525 13.870 -13.098 1.00 25.44 O ATOM 0 H GLU A 21 8.243 9.873 -12.783 1.00 50.10 H new ATOM 0 HA GLU A 21 6.411 11.928 -11.877 1.00 33.00 H new ATOM 0 HB2 GLU A 21 7.622 11.973 -14.077 1.00 3.42 H new ATOM 0 HB3 GLU A 21 6.796 10.506 -14.564 1.00 3.42 H new ATOM 0 HG2 GLU A 21 5.719 12.371 -15.659 1.00 74.44 H new ATOM 0 HG3 GLU A 21 4.606 11.729 -14.468 1.00 74.44 H new ATOM 320 N ALA A 22 4.121 10.820 -11.826 1.00 22.55 N ATOM 321 CA ALA A 22 2.847 10.122 -11.507 1.00 62.35 C ATOM 322 C ALA A 22 1.606 11.037 -11.674 1.00 52.35 C ATOM 323 O ALA A 22 1.721 12.253 -11.830 1.00 14.43 O ATOM 324 CB ALA A 22 2.901 9.562 -10.076 1.00 35.43 C ATOM 0 H ALA A 22 4.089 11.826 -11.662 1.00 22.55 H new ATOM 0 HA ALA A 22 2.740 9.306 -12.221 1.00 62.35 H new ATOM 0 HB1 ALA A 22 1.965 9.052 -9.849 1.00 35.43 H new ATOM 0 HB2 ALA A 22 3.728 8.857 -9.992 1.00 35.43 H new ATOM 0 HB3 ALA A 22 3.049 10.380 -9.371 1.00 35.43 H new ATOM 330 N THR A 23 0.413 10.414 -11.677 1.00 42.30 N ATOM 331 CA THR A 23 -0.888 11.127 -11.681 1.00 42.14 C ATOM 332 C THR A 23 -1.886 10.434 -10.723 1.00 12.14 C ATOM 333 O THR A 23 -2.105 9.233 -10.822 1.00 33.12 O ATOM 334 CB THR A 23 -1.503 11.184 -13.128 1.00 5.22 C ATOM 335 OG1 THR A 23 -0.572 11.804 -14.032 1.00 53.13 O ATOM 336 CG2 THR A 23 -2.841 11.953 -13.169 1.00 1.14 C ATOM 0 H THR A 23 0.319 9.398 -11.677 1.00 42.30 H new ATOM 0 HA THR A 23 -0.706 12.146 -11.341 1.00 42.14 H new ATOM 0 HB THR A 23 -1.700 10.156 -13.433 1.00 5.22 H new ATOM 0 HG1 THR A 23 -0.960 11.835 -14.931 1.00 53.13 H new ATOM 0 HG21 THR A 23 -3.224 11.963 -14.190 1.00 1.14 H new ATOM 0 HG22 THR A 23 -3.563 11.462 -12.516 1.00 1.14 H new ATOM 0 HG23 THR A 23 -2.683 12.977 -12.830 1.00 1.14 H new ATOM 344 N VAL A 24 -2.508 11.217 -9.831 1.00 23.42 N ATOM 345 CA VAL A 24 -3.508 10.716 -8.860 1.00 11.03 C ATOM 346 C VAL A 24 -4.860 10.501 -9.569 1.00 4.22 C ATOM 347 O VAL A 24 -5.545 11.457 -9.901 1.00 3.40 O ATOM 348 CB VAL A 24 -3.679 11.711 -7.649 1.00 2.35 C ATOM 349 CG1 VAL A 24 -4.818 11.275 -6.687 1.00 54.35 C ATOM 350 CG2 VAL A 24 -2.345 11.867 -6.886 1.00 53.13 C ATOM 0 H VAL A 24 -2.336 12.220 -9.757 1.00 23.42 H new ATOM 0 HA VAL A 24 -3.153 9.765 -8.462 1.00 11.03 H new ATOM 0 HB VAL A 24 -3.964 12.679 -8.061 1.00 2.35 H new ATOM 0 HG11 VAL A 24 -4.897 11.991 -5.869 1.00 54.35 H new ATOM 0 HG12 VAL A 24 -5.761 11.241 -7.232 1.00 54.35 H new ATOM 0 HG13 VAL A 24 -4.596 10.287 -6.284 1.00 54.35 H new ATOM 0 HG21 VAL A 24 -2.481 12.557 -6.053 1.00 53.13 H new ATOM 0 HG22 VAL A 24 -2.028 10.896 -6.505 1.00 53.13 H new ATOM 0 HG23 VAL A 24 -1.583 12.258 -7.561 1.00 53.13 H new ATOM 360 N THR A 25 -5.206 9.238 -9.832 1.00 15.31 N ATOM 361 CA THR A 25 -6.462 8.859 -10.522 1.00 31.52 C ATOM 362 C THR A 25 -7.532 8.320 -9.544 1.00 45.22 C ATOM 363 O THR A 25 -8.657 8.015 -9.964 1.00 44.23 O ATOM 364 CB THR A 25 -6.173 7.794 -11.621 1.00 62.11 C ATOM 365 OG1 THR A 25 -5.561 6.632 -11.028 1.00 4.03 O ATOM 366 CG2 THR A 25 -5.254 8.360 -12.722 1.00 43.11 C ATOM 0 H THR A 25 -4.626 8.439 -9.575 1.00 15.31 H new ATOM 0 HA THR A 25 -6.860 9.765 -10.979 1.00 31.52 H new ATOM 0 HB THR A 25 -7.122 7.516 -12.079 1.00 62.11 H new ATOM 0 HG1 THR A 25 -4.775 6.372 -11.553 1.00 4.03 H new ATOM 0 HG21 THR A 25 -5.071 7.592 -13.474 1.00 43.11 H new ATOM 0 HG22 THR A 25 -5.734 9.219 -13.190 1.00 43.11 H new ATOM 0 HG23 THR A 25 -4.306 8.669 -12.281 1.00 43.11 H new ATOM 374 N GLY A 26 -7.188 8.216 -8.244 1.00 54.42 N ATOM 375 CA GLY A 26 -8.138 7.761 -7.216 1.00 35.13 C ATOM 376 C GLY A 26 -7.790 8.287 -5.825 1.00 22.14 C ATOM 377 O GLY A 26 -6.610 8.374 -5.474 1.00 53.33 O ATOM 0 H GLY A 26 -6.260 8.441 -7.885 1.00 54.42 H new ATOM 0 HA2 GLY A 26 -9.143 8.088 -7.484 1.00 35.13 H new ATOM 0 HA3 GLY A 26 -8.152 6.671 -7.196 1.00 35.13 H new ATOM 381 N ALA A 27 -8.820 8.636 -5.026 1.00 52.13 N ATOM 382 CA ALA A 27 -8.644 9.197 -3.665 1.00 23.54 C ATOM 383 C ALA A 27 -9.438 8.381 -2.615 1.00 12.03 C ATOM 384 O ALA A 27 -10.675 8.370 -2.627 1.00 70.31 O ATOM 385 CB ALA A 27 -9.065 10.680 -3.651 1.00 24.20 C ATOM 0 H ALA A 27 -9.797 8.538 -5.303 1.00 52.13 H new ATOM 0 HA ALA A 27 -7.590 9.131 -3.396 1.00 23.54 H new ATOM 0 HB1 ALA A 27 -8.933 11.086 -2.648 1.00 24.20 H new ATOM 0 HB2 ALA A 27 -8.448 11.240 -4.353 1.00 24.20 H new ATOM 0 HB3 ALA A 27 -10.112 10.764 -3.942 1.00 24.20 H new ATOM 391 N TYR A 28 -8.710 7.670 -1.734 1.00 33.15 N ATOM 392 CA TYR A 28 -9.288 6.847 -0.643 1.00 54.45 C ATOM 393 C TYR A 28 -8.828 7.384 0.732 1.00 2.12 C ATOM 394 O TYR A 28 -7.661 7.257 1.086 1.00 74.11 O ATOM 395 CB TYR A 28 -8.855 5.353 -0.809 1.00 62.55 C ATOM 396 CG TYR A 28 -9.634 4.555 -1.870 1.00 2.41 C ATOM 397 CD1 TYR A 28 -9.650 4.938 -3.219 1.00 54.44 C ATOM 398 CD2 TYR A 28 -10.358 3.411 -1.519 1.00 23.21 C ATOM 399 CE1 TYR A 28 -10.359 4.214 -4.164 1.00 63.43 C ATOM 400 CE2 TYR A 28 -11.062 2.686 -2.461 1.00 20.15 C ATOM 401 CZ TYR A 28 -11.066 3.090 -3.777 1.00 35.12 C ATOM 402 OH TYR A 28 -11.785 2.367 -4.708 1.00 71.13 O ATOM 0 H TYR A 28 -7.690 7.647 -1.756 1.00 33.15 H new ATOM 0 HA TYR A 28 -10.375 6.907 -0.697 1.00 54.45 H new ATOM 0 HB2 TYR A 28 -7.795 5.325 -1.063 1.00 62.55 H new ATOM 0 HB3 TYR A 28 -8.965 4.851 0.152 1.00 62.55 H new ATOM 0 HD1 TYR A 28 -9.099 5.814 -3.527 1.00 54.44 H new ATOM 0 HD2 TYR A 28 -10.367 3.087 -0.489 1.00 23.21 H new ATOM 0 HE1 TYR A 28 -10.360 4.526 -5.198 1.00 63.43 H new ATOM 0 HE2 TYR A 28 -11.609 1.803 -2.165 1.00 20.15 H new ATOM 0 HH TYR A 28 -12.221 1.608 -4.267 1.00 71.13 H new ATOM 412 N ASP A 29 -9.749 7.977 1.503 1.00 14.43 N ATOM 413 CA ASP A 29 -9.464 8.435 2.885 1.00 14.13 C ATOM 414 C ASP A 29 -9.923 7.341 3.884 1.00 70.35 C ATOM 415 O ASP A 29 -10.972 7.437 4.527 1.00 12.03 O ATOM 416 CB ASP A 29 -10.119 9.829 3.153 1.00 23.32 C ATOM 417 CG ASP A 29 -11.635 9.869 2.871 1.00 62.15 C ATOM 418 OD1 ASP A 29 -12.024 9.895 1.683 1.00 53.32 O ATOM 419 OD2 ASP A 29 -12.439 9.853 3.833 1.00 24.03 O ATOM 0 H ASP A 29 -10.706 8.155 1.198 1.00 14.43 H new ATOM 0 HA ASP A 29 -8.392 8.580 3.022 1.00 14.13 H new ATOM 0 HB2 ASP A 29 -9.945 10.108 4.192 1.00 23.32 H new ATOM 0 HB3 ASP A 29 -9.624 10.578 2.534 1.00 23.32 H new ATOM 424 N THR A 30 -9.119 6.270 3.986 1.00 43.50 N ATOM 425 CA THR A 30 -9.512 5.038 4.714 1.00 31.22 C ATOM 426 C THR A 30 -8.402 4.539 5.658 1.00 32.12 C ATOM 427 O THR A 30 -7.261 5.012 5.599 1.00 43.04 O ATOM 428 CB THR A 30 -9.916 3.907 3.712 1.00 11.42 C ATOM 429 OG1 THR A 30 -10.422 2.770 4.430 1.00 13.42 O ATOM 430 CG2 THR A 30 -8.751 3.477 2.798 1.00 33.11 C ATOM 0 H THR A 30 -8.187 6.226 3.573 1.00 43.50 H new ATOM 0 HA THR A 30 -10.375 5.295 5.329 1.00 31.22 H new ATOM 0 HB THR A 30 -10.695 4.315 3.068 1.00 11.42 H new ATOM 0 HG1 THR A 30 -10.412 1.983 3.846 1.00 13.42 H new ATOM 0 HG21 THR A 30 -9.089 2.690 2.124 1.00 33.11 H new ATOM 0 HG22 THR A 30 -8.411 4.333 2.215 1.00 33.11 H new ATOM 0 HG23 THR A 30 -7.929 3.104 3.408 1.00 33.11 H new ATOM 438 N THR A 31 -8.752 3.569 6.524 1.00 32.43 N ATOM 439 CA THR A 31 -7.834 3.030 7.544 1.00 32.23 C ATOM 440 C THR A 31 -6.716 2.183 6.895 1.00 72.35 C ATOM 441 O THR A 31 -6.997 1.177 6.231 1.00 1.33 O ATOM 442 CB THR A 31 -8.596 2.155 8.600 1.00 60.44 C ATOM 443 OG1 THR A 31 -9.787 2.833 9.041 1.00 23.42 O ATOM 444 CG2 THR A 31 -7.722 1.848 9.830 1.00 62.54 C ATOM 0 H THR A 31 -9.677 3.138 6.536 1.00 32.43 H new ATOM 0 HA THR A 31 -7.389 3.886 8.051 1.00 32.23 H new ATOM 0 HB THR A 31 -8.852 1.215 8.110 1.00 60.44 H new ATOM 0 HG1 THR A 31 -10.516 2.185 9.137 1.00 23.42 H new ATOM 0 HG21 THR A 31 -8.288 1.240 10.536 1.00 62.54 H new ATOM 0 HG22 THR A 31 -6.831 1.305 9.516 1.00 62.54 H new ATOM 0 HG23 THR A 31 -7.428 2.782 10.309 1.00 62.54 H new ATOM 452 N ALA A 32 -5.459 2.602 7.099 1.00 34.32 N ATOM 453 CA ALA A 32 -4.272 1.899 6.584 1.00 24.11 C ATOM 454 C ALA A 32 -3.583 1.141 7.739 1.00 65.40 C ATOM 455 O ALA A 32 -3.609 1.587 8.898 1.00 31.24 O ATOM 456 CB ALA A 32 -3.314 2.903 5.921 1.00 41.11 C ATOM 0 H ALA A 32 -5.234 3.444 7.629 1.00 34.32 H new ATOM 0 HA ALA A 32 -4.571 1.174 5.827 1.00 24.11 H new ATOM 0 HB1 ALA A 32 -2.439 2.375 5.543 1.00 41.11 H new ATOM 0 HB2 ALA A 32 -3.823 3.400 5.095 1.00 41.11 H new ATOM 0 HB3 ALA A 32 -3.001 3.646 6.655 1.00 41.11 H new ATOM 462 N TYR A 33 -2.988 -0.017 7.435 1.00 52.13 N ATOM 463 CA TYR A 33 -2.328 -0.872 8.442 1.00 33.31 C ATOM 464 C TYR A 33 -0.894 -1.234 8.028 1.00 22.44 C ATOM 465 O TYR A 33 -0.559 -1.332 6.839 1.00 43.22 O ATOM 466 CB TYR A 33 -3.161 -2.159 8.713 1.00 32.12 C ATOM 467 CG TYR A 33 -4.479 -1.896 9.461 1.00 42.41 C ATOM 468 CD1 TYR A 33 -4.469 -1.399 10.768 1.00 64.23 C ATOM 469 CD2 TYR A 33 -5.724 -2.139 8.873 1.00 4.12 C ATOM 470 CE1 TYR A 33 -5.641 -1.158 11.453 1.00 22.15 C ATOM 471 CE2 TYR A 33 -6.898 -1.899 9.562 1.00 12.14 C ATOM 472 CZ TYR A 33 -6.852 -1.408 10.850 1.00 4.21 C ATOM 473 OH TYR A 33 -8.027 -1.165 11.536 1.00 22.35 O ATOM 0 H TYR A 33 -2.947 -0.392 6.487 1.00 52.13 H new ATOM 0 HA TYR A 33 -2.271 -0.297 9.366 1.00 33.31 H new ATOM 0 HB2 TYR A 33 -3.383 -2.644 7.763 1.00 32.12 H new ATOM 0 HB3 TYR A 33 -2.557 -2.857 9.293 1.00 32.12 H new ATOM 0 HD1 TYR A 33 -3.524 -1.200 11.251 1.00 64.23 H new ATOM 0 HD2 TYR A 33 -5.769 -2.521 7.864 1.00 4.12 H new ATOM 0 HE1 TYR A 33 -5.608 -0.773 12.462 1.00 22.15 H new ATOM 0 HE2 TYR A 33 -7.850 -2.096 9.092 1.00 12.14 H new ATOM 0 HH TYR A 33 -8.791 -1.394 10.967 1.00 22.35 H new ATOM 483 N VAL A 34 -0.053 -1.384 9.050 1.00 2.52 N ATOM 484 CA VAL A 34 1.328 -1.861 8.930 1.00 33.33 C ATOM 485 C VAL A 34 1.356 -3.335 9.382 1.00 31.32 C ATOM 486 O VAL A 34 1.141 -3.603 10.558 1.00 74.04 O ATOM 487 CB VAL A 34 2.281 -0.985 9.839 1.00 51.42 C ATOM 488 CG1 VAL A 34 3.767 -1.292 9.573 1.00 4.34 C ATOM 489 CG2 VAL A 34 1.977 0.526 9.666 1.00 23.25 C ATOM 0 H VAL A 34 -0.319 -1.172 10.012 1.00 2.52 H new ATOM 0 HA VAL A 34 1.676 -1.778 7.901 1.00 33.33 H new ATOM 0 HB VAL A 34 2.080 -1.252 10.877 1.00 51.42 H new ATOM 0 HG11 VAL A 34 4.388 -0.670 10.217 1.00 4.34 H new ATOM 0 HG12 VAL A 34 3.965 -2.343 9.784 1.00 4.34 H new ATOM 0 HG13 VAL A 34 4.001 -1.081 8.530 1.00 4.34 H new ATOM 0 HG21 VAL A 34 2.646 1.107 10.302 1.00 23.25 H new ATOM 0 HG22 VAL A 34 2.128 0.811 8.625 1.00 23.25 H new ATOM 0 HG23 VAL A 34 0.943 0.724 9.950 1.00 23.25 H new ATOM 499 N VAL A 35 1.557 -4.290 8.452 1.00 64.10 N ATOM 500 CA VAL A 35 1.504 -5.753 8.770 1.00 32.43 C ATOM 501 C VAL A 35 2.893 -6.429 8.660 1.00 53.24 C ATOM 502 O VAL A 35 3.836 -5.842 8.149 1.00 64.22 O ATOM 503 CB VAL A 35 0.462 -6.506 7.853 1.00 40.33 C ATOM 504 CG1 VAL A 35 -0.984 -6.032 8.144 1.00 50.22 C ATOM 505 CG2 VAL A 35 0.804 -6.344 6.352 1.00 54.13 C ATOM 0 H VAL A 35 1.758 -4.087 7.473 1.00 64.10 H new ATOM 0 HA VAL A 35 1.177 -5.829 9.807 1.00 32.43 H new ATOM 0 HB VAL A 35 0.525 -7.567 8.094 1.00 40.33 H new ATOM 0 HG11 VAL A 35 -1.679 -6.568 7.498 1.00 50.22 H new ATOM 0 HG12 VAL A 35 -1.230 -6.233 9.187 1.00 50.22 H new ATOM 0 HG13 VAL A 35 -1.062 -4.962 7.952 1.00 50.22 H new ATOM 0 HG21 VAL A 35 0.066 -6.875 5.751 1.00 54.13 H new ATOM 0 HG22 VAL A 35 0.793 -5.286 6.088 1.00 54.13 H new ATOM 0 HG23 VAL A 35 1.794 -6.756 6.158 1.00 54.13 H new ATOM 515 N SER A 36 3.006 -7.668 9.172 1.00 42.32 N ATOM 516 CA SER A 36 4.257 -8.473 9.091 1.00 12.11 C ATOM 517 C SER A 36 3.929 -9.965 8.835 1.00 11.34 C ATOM 518 O SER A 36 3.149 -10.569 9.584 1.00 43.32 O ATOM 519 CB SER A 36 5.085 -8.313 10.388 1.00 33.15 C ATOM 520 OG SER A 36 4.351 -8.729 11.533 1.00 1.05 O ATOM 0 H SER A 36 2.243 -8.145 9.652 1.00 42.32 H new ATOM 0 HA SER A 36 4.851 -8.105 8.254 1.00 12.11 H new ATOM 0 HB2 SER A 36 6.001 -8.899 10.310 1.00 33.15 H new ATOM 0 HB3 SER A 36 5.382 -7.271 10.504 1.00 33.15 H new ATOM 0 HG SER A 36 3.666 -9.377 11.265 1.00 1.05 H new ATOM 526 N TYR A 37 4.539 -10.559 7.780 1.00 71.13 N ATOM 527 CA TYR A 37 4.181 -11.918 7.303 1.00 63.32 C ATOM 528 C TYR A 37 5.279 -12.548 6.404 1.00 73.21 C ATOM 529 O TYR A 37 5.777 -11.913 5.471 1.00 30.43 O ATOM 530 CB TYR A 37 2.830 -11.894 6.524 1.00 13.11 C ATOM 531 CG TYR A 37 2.838 -11.026 5.251 1.00 23.01 C ATOM 532 CD1 TYR A 37 2.703 -9.640 5.324 1.00 64.13 C ATOM 533 CD2 TYR A 37 2.995 -11.597 3.984 1.00 44.45 C ATOM 534 CE1 TYR A 37 2.722 -8.861 4.192 1.00 72.32 C ATOM 535 CE2 TYR A 37 3.017 -10.814 2.843 1.00 62.24 C ATOM 536 CZ TYR A 37 2.877 -9.444 2.957 1.00 53.11 C ATOM 537 OH TYR A 37 2.900 -8.649 1.833 1.00 3.33 O ATOM 0 H TYR A 37 5.284 -10.116 7.242 1.00 71.13 H new ATOM 0 HA TYR A 37 4.084 -12.537 8.195 1.00 63.32 H new ATOM 0 HB2 TYR A 37 2.566 -12.915 6.250 1.00 13.11 H new ATOM 0 HB3 TYR A 37 2.048 -11.531 7.191 1.00 13.11 H new ATOM 0 HD1 TYR A 37 2.581 -9.170 6.289 1.00 64.13 H new ATOM 0 HD2 TYR A 37 3.101 -12.668 3.894 1.00 44.45 H new ATOM 0 HE1 TYR A 37 2.615 -7.789 4.273 1.00 72.32 H new ATOM 0 HE2 TYR A 37 3.142 -11.270 1.872 1.00 62.24 H new ATOM 0 HH TYR A 37 2.544 -9.151 1.070 1.00 3.33 H new ATOM 547 N THR A 38 5.690 -13.773 6.744 1.00 31.01 N ATOM 548 CA THR A 38 6.365 -14.685 5.787 1.00 2.50 C ATOM 549 C THR A 38 5.345 -15.200 4.728 1.00 4.13 C ATOM 550 O THR A 38 4.357 -15.844 5.107 1.00 3.25 O ATOM 551 CB THR A 38 7.044 -15.904 6.510 1.00 73.20 C ATOM 552 OG1 THR A 38 7.976 -15.422 7.492 1.00 63.52 O ATOM 553 CG2 THR A 38 7.794 -16.834 5.524 1.00 70.41 C ATOM 0 H THR A 38 5.571 -14.167 7.677 1.00 31.01 H new ATOM 0 HA THR A 38 7.151 -14.114 5.294 1.00 2.50 H new ATOM 0 HB THR A 38 6.249 -16.484 6.979 1.00 73.20 H new ATOM 0 HG1 THR A 38 8.398 -16.183 7.944 1.00 63.52 H new ATOM 0 HG21 THR A 38 8.245 -17.660 6.074 1.00 70.41 H new ATOM 0 HG22 THR A 38 7.091 -17.228 4.790 1.00 70.41 H new ATOM 0 HG23 THR A 38 8.574 -16.269 5.013 1.00 70.41 H new ATOM 561 N PRO A 39 5.542 -14.892 3.397 1.00 3.41 N ATOM 562 CA PRO A 39 4.641 -15.372 2.305 1.00 63.23 C ATOM 563 C PRO A 39 4.558 -16.933 2.214 1.00 70.44 C ATOM 564 O PRO A 39 5.573 -17.627 2.349 1.00 21.34 O ATOM 565 CB PRO A 39 5.267 -14.751 1.020 1.00 51.34 C ATOM 566 CG PRO A 39 6.082 -13.596 1.517 1.00 22.21 C ATOM 567 CD PRO A 39 6.627 -14.038 2.853 1.00 14.01 C ATOM 0 HA PRO A 39 3.607 -15.070 2.470 1.00 63.23 H new ATOM 0 HB2 PRO A 39 5.887 -15.475 0.491 1.00 51.34 H new ATOM 0 HB3 PRO A 39 4.496 -14.422 0.323 1.00 51.34 H new ATOM 0 HG2 PRO A 39 6.888 -13.356 0.823 1.00 22.21 H new ATOM 0 HG3 PRO A 39 5.471 -12.699 1.619 1.00 22.21 H new ATOM 0 HD2 PRO A 39 7.559 -14.592 2.744 1.00 14.01 H new ATOM 0 HD3 PRO A 39 6.835 -13.189 3.504 1.00 14.01 H new ATOM 575 N THR A 40 3.336 -17.457 1.946 1.00 60.12 N ATOM 576 CA THR A 40 3.012 -18.920 1.986 1.00 51.25 C ATOM 577 C THR A 40 3.761 -19.773 0.926 1.00 30.31 C ATOM 578 O THR A 40 3.800 -21.004 1.040 1.00 71.30 O ATOM 579 CB THR A 40 1.473 -19.152 1.810 1.00 34.21 C ATOM 580 OG1 THR A 40 1.020 -18.543 0.586 1.00 61.33 O ATOM 581 CG2 THR A 40 0.661 -18.584 2.984 1.00 63.43 C ATOM 0 H THR A 40 2.535 -16.878 1.693 1.00 60.12 H new ATOM 0 HA THR A 40 3.351 -19.253 2.967 1.00 51.25 H new ATOM 0 HB THR A 40 1.313 -20.230 1.779 1.00 34.21 H new ATOM 0 HG1 THR A 40 1.189 -17.578 0.619 1.00 61.33 H new ATOM 0 HG21 THR A 40 -0.400 -18.769 2.816 1.00 63.43 H new ATOM 0 HG22 THR A 40 0.972 -19.068 3.910 1.00 63.43 H new ATOM 0 HG23 THR A 40 0.834 -17.511 3.061 1.00 63.43 H new ATOM 589 N ASN A 41 4.337 -19.123 -0.100 1.00 3.34 N ATOM 590 CA ASN A 41 5.147 -19.809 -1.144 1.00 1.23 C ATOM 591 C ASN A 41 6.597 -20.122 -0.662 1.00 21.53 C ATOM 592 O ASN A 41 7.363 -20.786 -1.367 1.00 3.40 O ATOM 593 CB ASN A 41 5.203 -18.937 -2.429 1.00 72.33 C ATOM 594 CG ASN A 41 5.945 -17.608 -2.235 1.00 32.42 C ATOM 595 OD1 ASN A 41 5.916 -17.009 -1.168 1.00 24.22 O ATOM 596 ND2 ASN A 41 6.627 -17.147 -3.262 1.00 10.05 N ATOM 0 H ASN A 41 4.260 -18.115 -0.236 1.00 3.34 H new ATOM 0 HA ASN A 41 4.659 -20.760 -1.356 1.00 1.23 H new ATOM 0 HB2 ASN A 41 5.691 -19.504 -3.222 1.00 72.33 H new ATOM 0 HB3 ASN A 41 4.186 -18.731 -2.763 1.00 72.33 H new ATOM 0 HD21 ASN A 41 7.146 -16.273 -3.179 1.00 10.05 H new ATOM 0 HD22 ASN A 41 6.636 -17.664 -4.141 1.00 10.05 H new ATOM 603 N GLY A 42 6.953 -19.634 0.542 1.00 53.51 N ATOM 604 CA GLY A 42 8.332 -19.702 1.052 1.00 14.11 C ATOM 605 C GLY A 42 9.194 -18.539 0.543 1.00 64.15 C ATOM 606 O GLY A 42 10.326 -18.740 0.094 1.00 51.42 O ATOM 0 H GLY A 42 6.297 -19.186 1.182 1.00 53.51 H new ATOM 0 HA2 GLY A 42 8.316 -19.691 2.142 1.00 14.11 H new ATOM 0 HA3 GLY A 42 8.784 -20.647 0.750 1.00 14.11 H new ATOM 610 N GLY A 43 8.629 -17.321 0.614 1.00 61.33 N ATOM 611 CA GLY A 43 9.321 -16.089 0.186 1.00 52.22 C ATOM 612 C GLY A 43 10.046 -15.379 1.337 1.00 34.33 C ATOM 613 O GLY A 43 10.065 -15.880 2.471 1.00 14.54 O ATOM 0 H GLY A 43 7.686 -17.161 0.967 1.00 61.33 H new ATOM 0 HA2 GLY A 43 10.042 -16.336 -0.593 1.00 52.22 H new ATOM 0 HA3 GLY A 43 8.596 -15.406 -0.256 1.00 52.22 H new ATOM 617 N GLN A 44 10.670 -14.218 1.042 1.00 13.54 N ATOM 618 CA GLN A 44 11.287 -13.353 2.080 1.00 23.12 C ATOM 619 C GLN A 44 10.203 -12.793 3.017 1.00 14.32 C ATOM 620 O GLN A 44 9.246 -12.175 2.534 1.00 52.54 O ATOM 621 CB GLN A 44 12.063 -12.163 1.441 1.00 75.13 C ATOM 622 CG GLN A 44 12.700 -11.188 2.468 1.00 10.54 C ATOM 623 CD GLN A 44 13.362 -9.951 1.853 1.00 24.14 C ATOM 624 OE1 GLN A 44 12.965 -9.470 0.797 1.00 61.53 O ATOM 625 NE2 GLN A 44 14.368 -9.415 2.517 1.00 22.24 N ATOM 0 H GLN A 44 10.762 -13.855 0.093 1.00 13.54 H new ATOM 0 HA GLN A 44 11.988 -13.968 2.644 1.00 23.12 H new ATOM 0 HB2 GLN A 44 12.849 -12.560 0.799 1.00 75.13 H new ATOM 0 HB3 GLN A 44 11.382 -11.603 0.801 1.00 75.13 H new ATOM 0 HG2 GLN A 44 11.928 -10.861 3.165 1.00 10.54 H new ATOM 0 HG3 GLN A 44 13.445 -11.731 3.049 1.00 10.54 H new ATOM 0 HE21 GLN A 44 14.681 -9.833 3.393 1.00 22.24 H new ATOM 0 HE22 GLN A 44 14.833 -8.583 2.154 1.00 22.24 H new ATOM 634 N ARG A 45 10.340 -13.045 4.334 1.00 24.12 N ATOM 635 CA ARG A 45 9.459 -12.460 5.366 1.00 24.20 C ATOM 636 C ARG A 45 9.366 -10.920 5.230 1.00 34.12 C ATOM 637 O ARG A 45 10.346 -10.201 5.451 1.00 10.24 O ATOM 638 CB ARG A 45 9.973 -12.826 6.780 1.00 44.53 C ATOM 639 CG ARG A 45 9.101 -12.295 7.943 1.00 45.33 C ATOM 640 CD ARG A 45 9.778 -12.448 9.320 1.00 2.22 C ATOM 641 NE ARG A 45 10.134 -13.847 9.635 1.00 21.01 N ATOM 642 CZ ARG A 45 9.927 -14.451 10.789 1.00 5.11 C ATOM 643 NH1 ARG A 45 9.236 -13.884 11.734 1.00 22.25 N ATOM 644 NH2 ARG A 45 10.384 -15.646 10.963 1.00 72.25 N ATOM 0 H ARG A 45 11.062 -13.658 4.712 1.00 24.12 H new ATOM 0 HA ARG A 45 8.462 -12.876 5.220 1.00 24.20 H new ATOM 0 HB2 ARG A 45 10.038 -13.911 6.859 1.00 44.53 H new ATOM 0 HB3 ARG A 45 10.985 -12.437 6.896 1.00 44.53 H new ATOM 0 HG2 ARG A 45 8.875 -11.243 7.770 1.00 45.33 H new ATOM 0 HG3 ARG A 45 8.150 -12.828 7.950 1.00 45.33 H new ATOM 0 HD2 ARG A 45 10.679 -11.835 9.346 1.00 2.22 H new ATOM 0 HD3 ARG A 45 9.110 -12.066 10.092 1.00 2.22 H new ATOM 0 HE ARG A 45 10.578 -14.393 8.896 1.00 21.01 H new ATOM 0 HH11 ARG A 45 8.842 -12.954 11.590 1.00 22.25 H new ATOM 0 HH12 ARG A 45 9.088 -14.369 12.619 1.00 22.25 H new ATOM 0 HH21 ARG A 45 10.897 -16.110 10.213 1.00 72.25 H new ATOM 0 HH22 ARG A 45 10.232 -16.126 11.850 1.00 72.25 H new ATOM 658 N VAL A 46 8.185 -10.449 4.833 1.00 60.11 N ATOM 659 CA VAL A 46 7.915 -9.022 4.612 1.00 63.32 C ATOM 660 C VAL A 46 7.439 -8.355 5.930 1.00 10.01 C ATOM 661 O VAL A 46 6.287 -8.525 6.348 1.00 44.15 O ATOM 662 CB VAL A 46 6.851 -8.831 3.467 1.00 1.54 C ATOM 663 CG1 VAL A 46 6.694 -7.348 3.077 1.00 3.10 C ATOM 664 CG2 VAL A 46 7.206 -9.689 2.231 1.00 3.23 C ATOM 0 H VAL A 46 7.380 -11.049 4.653 1.00 60.11 H new ATOM 0 HA VAL A 46 8.838 -8.536 4.297 1.00 63.32 H new ATOM 0 HB VAL A 46 5.892 -9.172 3.856 1.00 1.54 H new ATOM 0 HG11 VAL A 46 5.951 -7.257 2.284 1.00 3.10 H new ATOM 0 HG12 VAL A 46 6.369 -6.776 3.946 1.00 3.10 H new ATOM 0 HG13 VAL A 46 7.650 -6.961 2.725 1.00 3.10 H new ATOM 0 HG21 VAL A 46 6.455 -9.538 1.456 1.00 3.23 H new ATOM 0 HG22 VAL A 46 8.184 -9.393 1.851 1.00 3.23 H new ATOM 0 HG23 VAL A 46 7.230 -10.742 2.513 1.00 3.23 H new ATOM 674 N ASP A 47 8.353 -7.614 6.579 1.00 75.43 N ATOM 675 CA ASP A 47 8.099 -6.947 7.877 1.00 3.12 C ATOM 676 C ASP A 47 7.734 -5.463 7.658 1.00 52.14 C ATOM 677 O ASP A 47 8.291 -4.813 6.764 1.00 24.12 O ATOM 678 CB ASP A 47 9.344 -7.048 8.786 1.00 31.25 C ATOM 679 CG ASP A 47 9.720 -8.501 9.109 1.00 3.40 C ATOM 680 OD1 ASP A 47 9.037 -9.117 9.960 1.00 11.31 O ATOM 681 OD2 ASP A 47 10.699 -9.025 8.531 1.00 3.52 O ATOM 0 H ASP A 47 9.295 -7.457 6.220 1.00 75.43 H new ATOM 0 HA ASP A 47 7.263 -7.450 8.362 1.00 3.12 H new ATOM 0 HB2 ASP A 47 10.187 -6.558 8.298 1.00 31.25 H new ATOM 0 HB3 ASP A 47 9.156 -6.510 9.715 1.00 31.25 H new ATOM 686 N HIS A 48 6.795 -4.943 8.482 1.00 15.00 N ATOM 687 CA HIS A 48 6.327 -3.529 8.417 1.00 3.12 C ATOM 688 C HIS A 48 5.771 -3.166 7.008 1.00 25.34 C ATOM 689 O HIS A 48 5.873 -2.020 6.555 1.00 4.13 O ATOM 690 CB HIS A 48 7.448 -2.540 8.875 1.00 30.23 C ATOM 691 CG HIS A 48 7.845 -2.665 10.330 1.00 31.22 C ATOM 692 ND1 HIS A 48 8.414 -1.632 11.045 1.00 1.12 N ATOM 693 CD2 HIS A 48 7.760 -3.704 11.198 1.00 35.21 C ATOM 694 CE1 HIS A 48 8.655 -2.027 12.274 1.00 20.33 C ATOM 695 NE2 HIS A 48 8.267 -3.278 12.397 1.00 5.45 N ATOM 0 H HIS A 48 6.337 -5.488 9.213 1.00 15.00 H new ATOM 0 HA HIS A 48 5.497 -3.427 9.116 1.00 3.12 H new ATOM 0 HB2 HIS A 48 8.331 -2.701 8.256 1.00 30.23 H new ATOM 0 HB3 HIS A 48 7.111 -1.520 8.691 1.00 30.23 H new ATOM 0 HD2 HIS A 48 7.365 -4.686 10.983 1.00 35.21 H new ATOM 0 HE1 HIS A 48 9.098 -1.425 13.054 1.00 20.33 H new ATOM 0 HE2 HIS A 48 8.333 -3.839 13.246 1.00 5.45 H new ATOM 704 N HIS A 49 5.143 -4.171 6.368 1.00 20.42 N ATOM 705 CA HIS A 49 4.556 -4.062 5.025 1.00 24.33 C ATOM 706 C HIS A 49 3.409 -3.033 4.982 1.00 60.13 C ATOM 707 O HIS A 49 2.497 -3.045 5.821 1.00 61.13 O ATOM 708 CB HIS A 49 4.032 -5.439 4.554 1.00 3.41 C ATOM 709 CG HIS A 49 3.394 -5.425 3.177 1.00 10.40 C ATOM 710 ND1 HIS A 49 4.152 -5.326 2.037 1.00 33.45 N ATOM 711 CD2 HIS A 49 2.083 -5.468 2.825 1.00 4.21 C ATOM 712 CE1 HIS A 49 3.301 -5.315 1.030 1.00 54.02 C ATOM 713 NE2 HIS A 49 2.036 -5.398 1.458 1.00 40.53 N ATOM 0 H HIS A 49 5.029 -5.097 6.780 1.00 20.42 H new ATOM 0 HA HIS A 49 5.344 -3.720 4.354 1.00 24.33 H new ATOM 0 HB2 HIS A 49 4.860 -6.148 4.551 1.00 3.41 H new ATOM 0 HB3 HIS A 49 3.302 -5.804 5.277 1.00 3.41 H new ATOM 0 HD1 HIS A 49 5.169 -5.272 1.980 1.00 33.45 H new ATOM 0 HD2 HIS A 49 1.239 -5.543 3.495 1.00 4.21 H new ATOM 0 HE1 HIS A 49 3.589 -5.248 -0.009 1.00 54.02 H new ATOM 721 N LYS A 50 3.472 -2.177 3.966 1.00 20.40 N ATOM 722 CA LYS A 50 2.469 -1.148 3.696 1.00 55.43 C ATOM 723 C LYS A 50 2.494 -0.781 2.176 1.00 72.13 C ATOM 724 O LYS A 50 3.530 -0.906 1.526 1.00 43.22 O ATOM 725 CB LYS A 50 2.710 0.091 4.624 1.00 52.34 C ATOM 726 CG LYS A 50 4.167 0.602 4.664 1.00 33.31 C ATOM 727 CD LYS A 50 4.343 1.936 5.424 1.00 21.21 C ATOM 728 CE LYS A 50 3.850 1.878 6.875 1.00 10.31 C ATOM 729 NZ LYS A 50 4.003 3.175 7.578 1.00 23.04 N ATOM 0 H LYS A 50 4.238 -2.178 3.292 1.00 20.40 H new ATOM 0 HA LYS A 50 1.471 -1.523 3.923 1.00 55.43 H new ATOM 0 HB2 LYS A 50 2.064 0.905 4.294 1.00 52.34 H new ATOM 0 HB3 LYS A 50 2.403 -0.168 5.637 1.00 52.34 H new ATOM 0 HG2 LYS A 50 4.795 -0.157 5.132 1.00 33.31 H new ATOM 0 HG3 LYS A 50 4.526 0.727 3.642 1.00 33.31 H new ATOM 0 HD2 LYS A 50 5.397 2.214 5.417 1.00 21.21 H new ATOM 0 HD3 LYS A 50 3.803 2.721 4.895 1.00 21.21 H new ATOM 0 HE2 LYS A 50 2.801 1.583 6.888 1.00 10.31 H new ATOM 0 HE3 LYS A 50 4.404 1.109 7.413 1.00 10.31 H new ATOM 0 HZ1 LYS A 50 4.727 3.085 8.319 1.00 23.04 H new ATOM 0 HZ2 LYS A 50 4.293 3.906 6.898 1.00 23.04 H new ATOM 0 HZ3 LYS A 50 3.096 3.444 8.011 1.00 23.04 H new ATOM 743 N TRP A 51 1.367 -0.321 1.582 1.00 53.31 N ATOM 744 CA TRP A 51 0.091 -0.028 2.281 1.00 71.53 C ATOM 745 C TRP A 51 -0.990 -1.087 1.995 1.00 64.12 C ATOM 746 O TRP A 51 -1.306 -1.385 0.839 1.00 72.44 O ATOM 747 CB TRP A 51 -0.390 1.388 1.880 1.00 54.32 C ATOM 748 CG TRP A 51 0.658 2.434 2.175 1.00 3.35 C ATOM 749 CD1 TRP A 51 1.655 2.861 1.346 1.00 54.11 C ATOM 750 CD2 TRP A 51 0.845 3.131 3.412 1.00 63.42 C ATOM 751 NE1 TRP A 51 2.443 3.766 1.996 1.00 24.21 N ATOM 752 CE2 TRP A 51 1.962 3.962 3.255 1.00 63.00 C ATOM 753 CE3 TRP A 51 0.168 3.132 4.632 1.00 72.35 C ATOM 754 CZ2 TRP A 51 2.422 4.794 4.271 1.00 55.14 C ATOM 755 CZ3 TRP A 51 0.620 3.955 5.640 1.00 2.35 C ATOM 756 CH2 TRP A 51 1.742 4.776 5.457 1.00 65.31 C ATOM 0 H TRP A 51 1.318 -0.139 0.580 1.00 53.31 H new ATOM 0 HA TRP A 51 0.270 -0.063 3.356 1.00 71.53 H new ATOM 0 HB2 TRP A 51 -0.632 1.404 0.817 1.00 54.32 H new ATOM 0 HB3 TRP A 51 -1.307 1.628 2.419 1.00 54.32 H new ATOM 0 HD1 TRP A 51 1.799 2.532 0.328 1.00 54.11 H new ATOM 0 HE1 TRP A 51 3.264 4.224 1.601 1.00 24.21 H new ATOM 0 HE3 TRP A 51 -0.694 2.499 4.783 1.00 72.35 H new ATOM 0 HZ2 TRP A 51 3.283 5.430 4.128 1.00 55.14 H new ATOM 0 HZ3 TRP A 51 0.101 3.968 6.587 1.00 2.35 H new ATOM 0 HH2 TRP A 51 2.075 5.406 6.268 1.00 65.31 H new ATOM 767 N VAL A 52 -1.543 -1.641 3.086 1.00 53.24 N ATOM 768 CA VAL A 52 -2.723 -2.522 3.064 1.00 30.21 C ATOM 769 C VAL A 52 -3.886 -1.806 3.782 1.00 52.42 C ATOM 770 O VAL A 52 -3.699 -1.217 4.853 1.00 61.45 O ATOM 771 CB VAL A 52 -2.446 -3.938 3.714 1.00 63.23 C ATOM 772 CG1 VAL A 52 -1.473 -4.773 2.846 1.00 13.42 C ATOM 773 CG2 VAL A 52 -1.917 -3.814 5.169 1.00 3.21 C ATOM 0 H VAL A 52 -1.176 -1.487 4.025 1.00 53.24 H new ATOM 0 HA VAL A 52 -2.983 -2.718 2.024 1.00 30.21 H new ATOM 0 HB VAL A 52 -3.401 -4.462 3.756 1.00 63.23 H new ATOM 0 HG11 VAL A 52 -1.302 -5.740 3.319 1.00 13.42 H new ATOM 0 HG12 VAL A 52 -1.906 -4.924 1.857 1.00 13.42 H new ATOM 0 HG13 VAL A 52 -0.525 -4.244 2.750 1.00 13.42 H new ATOM 0 HG21 VAL A 52 -1.740 -4.809 5.578 1.00 3.21 H new ATOM 0 HG22 VAL A 52 -0.984 -3.250 5.170 1.00 3.21 H new ATOM 0 HG23 VAL A 52 -2.655 -3.296 5.782 1.00 3.21 H new ATOM 783 N ILE A 53 -5.076 -1.824 3.173 1.00 15.10 N ATOM 784 CA ILE A 53 -6.265 -1.137 3.726 1.00 2.21 C ATOM 785 C ILE A 53 -7.152 -2.129 4.512 1.00 10.02 C ATOM 786 O ILE A 53 -7.066 -3.353 4.317 1.00 32.40 O ATOM 787 CB ILE A 53 -7.100 -0.422 2.594 1.00 5.23 C ATOM 788 CG1 ILE A 53 -7.604 -1.451 1.526 1.00 71.54 C ATOM 789 CG2 ILE A 53 -6.262 0.707 1.935 1.00 1.02 C ATOM 790 CD1 ILE A 53 -8.414 -0.856 0.385 1.00 23.45 C ATOM 0 H ILE A 53 -5.250 -2.308 2.292 1.00 15.10 H new ATOM 0 HA ILE A 53 -5.912 -0.368 4.412 1.00 2.21 H new ATOM 0 HB ILE A 53 -7.980 0.029 3.052 1.00 5.23 H new ATOM 0 HG12 ILE A 53 -6.741 -1.967 1.107 1.00 71.54 H new ATOM 0 HG13 ILE A 53 -8.212 -2.203 2.028 1.00 71.54 H new ATOM 0 HG21 ILE A 53 -6.852 1.191 1.156 1.00 1.02 H new ATOM 0 HG22 ILE A 53 -5.985 1.443 2.690 1.00 1.02 H new ATOM 0 HG23 ILE A 53 -5.360 0.281 1.495 1.00 1.02 H new ATOM 0 HD11 ILE A 53 -8.716 -1.649 -0.299 1.00 23.45 H new ATOM 0 HD12 ILE A 53 -9.301 -0.366 0.786 1.00 23.45 H new ATOM 0 HD13 ILE A 53 -7.807 -0.126 -0.150 1.00 23.45 H new ATOM 802 N GLN A 54 -7.974 -1.588 5.429 1.00 70.13 N ATOM 803 CA GLN A 54 -8.921 -2.379 6.250 1.00 61.04 C ATOM 804 C GLN A 54 -9.875 -3.263 5.393 1.00 41.41 C ATOM 805 O GLN A 54 -10.152 -4.413 5.746 1.00 62.11 O ATOM 806 CB GLN A 54 -9.716 -1.418 7.178 1.00 10.11 C ATOM 807 CG GLN A 54 -10.686 -2.107 8.157 1.00 61.21 C ATOM 808 CD GLN A 54 -11.259 -1.180 9.230 1.00 51.53 C ATOM 809 OE1 GLN A 54 -11.403 0.016 9.034 1.00 31.14 O ATOM 810 NE2 GLN A 54 -11.590 -1.730 10.378 1.00 72.11 N ATOM 0 H GLN A 54 -8.004 -0.588 5.625 1.00 70.13 H new ATOM 0 HA GLN A 54 -8.342 -3.076 6.855 1.00 61.04 H new ATOM 0 HB2 GLN A 54 -9.006 -0.823 7.753 1.00 10.11 H new ATOM 0 HB3 GLN A 54 -10.283 -0.725 6.557 1.00 10.11 H new ATOM 0 HG2 GLN A 54 -11.510 -2.540 7.590 1.00 61.21 H new ATOM 0 HG3 GLN A 54 -10.167 -2.932 8.645 1.00 61.21 H new ATOM 0 HE21 GLN A 54 -11.461 -2.732 10.520 1.00 72.11 H new ATOM 0 HE22 GLN A 54 -11.976 -1.155 11.127 1.00 72.11 H new ATOM 819 N GLU A 55 -10.302 -2.749 4.229 1.00 33.40 N ATOM 820 CA GLU A 55 -11.252 -3.460 3.322 1.00 42.43 C ATOM 821 C GLU A 55 -10.594 -4.688 2.626 1.00 43.43 C ATOM 822 O GLU A 55 -11.290 -5.539 2.060 1.00 23.24 O ATOM 823 CB GLU A 55 -11.810 -2.492 2.239 1.00 72.12 C ATOM 824 CG GLU A 55 -12.561 -1.245 2.770 1.00 50.10 C ATOM 825 CD GLU A 55 -11.646 -0.171 3.399 1.00 52.33 C ATOM 826 OE1 GLU A 55 -10.803 0.391 2.665 1.00 30.11 O ATOM 827 OE2 GLU A 55 -11.740 0.090 4.620 1.00 53.34 O ATOM 0 H GLU A 55 -10.008 -1.836 3.881 1.00 33.40 H new ATOM 0 HA GLU A 55 -12.069 -3.821 3.947 1.00 42.43 H new ATOM 0 HB2 GLU A 55 -10.980 -2.155 1.618 1.00 72.12 H new ATOM 0 HB3 GLU A 55 -12.486 -3.052 1.592 1.00 72.12 H new ATOM 0 HG2 GLU A 55 -13.119 -0.795 1.949 1.00 50.10 H new ATOM 0 HG3 GLU A 55 -13.291 -1.564 3.514 1.00 50.10 H new ATOM 834 N GLU A 56 -9.255 -4.762 2.684 1.00 52.30 N ATOM 835 CA GLU A 56 -8.451 -5.839 2.058 1.00 41.41 C ATOM 836 C GLU A 56 -8.141 -6.976 3.075 1.00 1.23 C ATOM 837 O GLU A 56 -7.828 -8.116 2.691 1.00 73.24 O ATOM 838 CB GLU A 56 -7.147 -5.213 1.480 1.00 2.25 C ATOM 839 CG GLU A 56 -6.232 -6.193 0.733 1.00 75.12 C ATOM 840 CD GLU A 56 -5.069 -5.513 -0.011 1.00 23.21 C ATOM 841 OE1 GLU A 56 -5.286 -5.015 -1.144 1.00 45.22 O ATOM 842 OE2 GLU A 56 -3.941 -5.466 0.521 1.00 52.42 O ATOM 0 H GLU A 56 -8.687 -4.069 3.172 1.00 52.30 H new ATOM 0 HA GLU A 56 -9.019 -6.296 1.248 1.00 41.41 H new ATOM 0 HB2 GLU A 56 -7.420 -4.405 0.801 1.00 2.25 H new ATOM 0 HB3 GLU A 56 -6.583 -4.765 2.298 1.00 2.25 H new ATOM 0 HG2 GLU A 56 -5.825 -6.911 1.445 1.00 75.12 H new ATOM 0 HG3 GLU A 56 -6.828 -6.758 0.017 1.00 75.12 H new ATOM 849 N ILE A 57 -8.255 -6.655 4.372 1.00 44.35 N ATOM 850 CA ILE A 57 -8.047 -7.618 5.474 1.00 61.52 C ATOM 851 C ILE A 57 -9.386 -8.331 5.816 1.00 35.14 C ATOM 852 O ILE A 57 -10.442 -7.695 5.869 1.00 35.41 O ATOM 853 CB ILE A 57 -7.470 -6.873 6.738 1.00 11.33 C ATOM 854 CG1 ILE A 57 -6.065 -6.247 6.408 1.00 74.41 C ATOM 855 CG2 ILE A 57 -7.401 -7.803 7.977 1.00 2.53 C ATOM 856 CD1 ILE A 57 -5.405 -5.491 7.552 1.00 72.20 C ATOM 0 H ILE A 57 -8.495 -5.717 4.692 1.00 44.35 H new ATOM 0 HA ILE A 57 -7.326 -8.373 5.161 1.00 61.52 H new ATOM 0 HB ILE A 57 -8.155 -6.065 6.993 1.00 11.33 H new ATOM 0 HG12 ILE A 57 -5.396 -7.046 6.088 1.00 74.41 H new ATOM 0 HG13 ILE A 57 -6.178 -5.568 5.563 1.00 74.41 H new ATOM 0 HG21 ILE A 57 -6.998 -7.250 8.825 1.00 2.53 H new ATOM 0 HG22 ILE A 57 -8.402 -8.161 8.220 1.00 2.53 H new ATOM 0 HG23 ILE A 57 -6.755 -8.653 7.758 1.00 2.53 H new ATOM 0 HD11 ILE A 57 -4.443 -5.099 7.222 1.00 72.20 H new ATOM 0 HD12 ILE A 57 -6.046 -4.665 7.860 1.00 72.20 H new ATOM 0 HD13 ILE A 57 -5.252 -6.166 8.394 1.00 72.20 H new ATOM 868 N LYS A 58 -9.331 -9.658 6.038 1.00 24.23 N ATOM 869 CA LYS A 58 -10.525 -10.472 6.376 1.00 23.10 C ATOM 870 C LYS A 58 -10.947 -10.274 7.851 1.00 10.01 C ATOM 871 O LYS A 58 -12.135 -10.097 8.155 1.00 61.11 O ATOM 872 CB LYS A 58 -10.231 -11.966 6.100 1.00 12.03 C ATOM 873 CG LYS A 58 -11.423 -12.921 6.348 1.00 42.44 C ATOM 874 CD LYS A 58 -11.151 -14.361 5.847 1.00 15.43 C ATOM 875 CE LYS A 58 -9.952 -15.035 6.543 1.00 33.31 C ATOM 876 NZ LYS A 58 -9.605 -16.336 5.921 1.00 53.31 N ATOM 0 H LYS A 58 -8.467 -10.197 5.990 1.00 24.23 H new ATOM 0 HA LYS A 58 -11.352 -10.141 5.748 1.00 23.10 H new ATOM 0 HB2 LYS A 58 -9.908 -12.072 5.064 1.00 12.03 H new ATOM 0 HB3 LYS A 58 -9.397 -12.279 6.728 1.00 12.03 H new ATOM 0 HG2 LYS A 58 -11.645 -12.948 7.415 1.00 42.44 H new ATOM 0 HG3 LYS A 58 -12.308 -12.528 5.848 1.00 42.44 H new ATOM 0 HD2 LYS A 58 -12.042 -14.968 6.007 1.00 15.43 H new ATOM 0 HD3 LYS A 58 -10.971 -14.336 4.772 1.00 15.43 H new ATOM 0 HE2 LYS A 58 -9.088 -14.371 6.500 1.00 33.31 H new ATOM 0 HE3 LYS A 58 -10.184 -15.188 7.597 1.00 33.31 H new ATOM 0 HZ1 LYS A 58 -8.937 -16.847 6.534 1.00 53.31 H new ATOM 0 HZ2 LYS A 58 -10.468 -16.904 5.800 1.00 53.31 H new ATOM 0 HZ3 LYS A 58 -9.166 -16.171 4.993 1.00 53.31 H new ATOM 890 N ASP A 59 -9.955 -10.305 8.759 1.00 60.31 N ATOM 891 CA ASP A 59 -10.170 -10.147 10.218 1.00 42.12 C ATOM 892 C ASP A 59 -10.623 -8.706 10.605 1.00 33.14 C ATOM 893 O ASP A 59 -10.982 -8.462 11.761 1.00 51.32 O ATOM 894 CB ASP A 59 -8.861 -10.531 10.962 1.00 62.32 C ATOM 895 CG ASP A 59 -9.081 -10.918 12.436 1.00 33.34 C ATOM 896 OD1 ASP A 59 -9.469 -12.083 12.696 1.00 3.14 O ATOM 897 OD2 ASP A 59 -8.889 -10.072 13.336 1.00 33.43 O ATOM 0 H ASP A 59 -8.976 -10.441 8.506 1.00 60.31 H new ATOM 0 HA ASP A 59 -10.981 -10.811 10.517 1.00 42.12 H new ATOM 0 HB2 ASP A 59 -8.389 -11.365 10.443 1.00 62.32 H new ATOM 0 HB3 ASP A 59 -8.167 -9.692 10.915 1.00 62.32 H new ATOM 902 N ALA A 60 -10.564 -7.768 9.627 1.00 55.23 N ATOM 903 CA ALA A 60 -11.014 -6.363 9.765 1.00 64.42 C ATOM 904 C ALA A 60 -12.350 -6.182 10.520 1.00 33.21 C ATOM 905 O ALA A 60 -12.370 -5.535 11.550 1.00 22.24 O ATOM 906 CB ALA A 60 -11.110 -5.729 8.375 1.00 61.32 C ATOM 0 H ALA A 60 -10.193 -7.974 8.699 1.00 55.23 H new ATOM 0 HA ALA A 60 -10.266 -5.863 10.380 1.00 64.42 H new ATOM 0 HB1 ALA A 60 -11.441 -4.695 8.469 1.00 61.32 H new ATOM 0 HB2 ALA A 60 -10.132 -5.755 7.895 1.00 61.32 H new ATOM 0 HB3 ALA A 60 -11.826 -6.285 7.770 1.00 61.32 H new ATOM 912 N GLY A 61 -13.467 -6.684 9.954 1.00 4.54 N ATOM 913 CA GLY A 61 -14.783 -6.640 10.632 1.00 24.33 C ATOM 914 C GLY A 61 -15.353 -5.226 10.850 1.00 20.11 C ATOM 915 O GLY A 61 -16.294 -5.061 11.634 1.00 40.44 O ATOM 0 H GLY A 61 -13.486 -7.123 9.033 1.00 4.54 H new ATOM 0 HA2 GLY A 61 -15.497 -7.217 10.045 1.00 24.33 H new ATOM 0 HA3 GLY A 61 -14.693 -7.133 11.600 1.00 24.33 H new ATOM 919 N ASP A 62 -14.755 -4.217 10.166 1.00 43.12 N ATOM 920 CA ASP A 62 -15.040 -2.763 10.353 1.00 60.23 C ATOM 921 C ASP A 62 -14.662 -2.250 11.784 1.00 44.40 C ATOM 922 O ASP A 62 -15.032 -1.137 12.167 1.00 15.54 O ATOM 923 CB ASP A 62 -16.520 -2.425 9.993 1.00 51.11 C ATOM 924 CG ASP A 62 -16.859 -2.750 8.525 1.00 61.53 C ATOM 925 OD1 ASP A 62 -17.153 -3.927 8.211 1.00 41.24 O ATOM 926 OD2 ASP A 62 -16.813 -1.837 7.671 1.00 3.13 O ATOM 0 H ASP A 62 -14.046 -4.391 9.454 1.00 43.12 H new ATOM 0 HA ASP A 62 -14.395 -2.227 9.657 1.00 60.23 H new ATOM 0 HB2 ASP A 62 -17.187 -2.984 10.649 1.00 51.11 H new ATOM 0 HB3 ASP A 62 -16.703 -1.367 10.179 1.00 51.11 H new ATOM 931 N LYS A 63 -13.888 -3.057 12.542 1.00 70.25 N ATOM 932 CA LYS A 63 -13.416 -2.705 13.911 1.00 2.41 C ATOM 933 C LYS A 63 -11.962 -2.174 13.863 1.00 1.43 C ATOM 934 O LYS A 63 -11.200 -2.502 12.943 1.00 31.32 O ATOM 935 CB LYS A 63 -13.514 -3.943 14.860 1.00 43.22 C ATOM 936 CG LYS A 63 -12.490 -5.069 14.582 1.00 12.12 C ATOM 937 CD LYS A 63 -12.710 -6.383 15.380 1.00 5.31 C ATOM 938 CE LYS A 63 -12.501 -6.250 16.901 1.00 72.30 C ATOM 939 NZ LYS A 63 -13.649 -5.612 17.592 1.00 21.15 N ATOM 0 H LYS A 63 -13.569 -3.973 12.227 1.00 70.25 H new ATOM 0 HA LYS A 63 -14.059 -1.918 14.304 1.00 2.41 H new ATOM 0 HB2 LYS A 63 -13.387 -3.604 15.888 1.00 43.22 H new ATOM 0 HB3 LYS A 63 -14.518 -4.360 14.784 1.00 43.22 H new ATOM 0 HG2 LYS A 63 -12.513 -5.302 13.518 1.00 12.12 H new ATOM 0 HG3 LYS A 63 -11.492 -4.692 14.804 1.00 12.12 H new ATOM 0 HD2 LYS A 63 -13.723 -6.740 15.195 1.00 5.31 H new ATOM 0 HD3 LYS A 63 -12.029 -7.144 14.998 1.00 5.31 H new ATOM 0 HE2 LYS A 63 -12.332 -7.239 17.327 1.00 72.30 H new ATOM 0 HE3 LYS A 63 -11.601 -5.665 17.088 1.00 72.30 H new ATOM 0 HZ1 LYS A 63 -13.345 -4.709 18.010 1.00 21.15 H new ATOM 0 HZ2 LYS A 63 -14.412 -5.437 16.908 1.00 21.15 H new ATOM 0 HZ3 LYS A 63 -13.995 -6.242 18.344 1.00 21.15 H new ATOM 953 N THR A 64 -11.579 -1.363 14.862 1.00 63.20 N ATOM 954 CA THR A 64 -10.208 -0.807 14.952 1.00 70.12 C ATOM 955 C THR A 64 -9.190 -1.902 15.361 1.00 65.21 C ATOM 956 O THR A 64 -9.211 -2.386 16.498 1.00 22.25 O ATOM 957 CB THR A 64 -10.137 0.400 15.957 1.00 65.43 C ATOM 958 OG1 THR A 64 -11.040 1.444 15.531 1.00 23.23 O ATOM 959 CG2 THR A 64 -8.711 0.988 16.078 1.00 64.31 C ATOM 0 H THR A 64 -12.195 -1.074 15.622 1.00 63.20 H new ATOM 0 HA THR A 64 -9.945 -0.438 13.961 1.00 70.12 H new ATOM 0 HB THR A 64 -10.425 0.017 16.936 1.00 65.43 H new ATOM 0 HG1 THR A 64 -10.994 2.193 16.161 1.00 23.23 H new ATOM 0 HG21 THR A 64 -8.719 1.818 16.784 1.00 64.31 H new ATOM 0 HG22 THR A 64 -8.028 0.216 16.433 1.00 64.31 H new ATOM 0 HG23 THR A 64 -8.380 1.344 15.102 1.00 64.31 H new ATOM 967 N LEU A 65 -8.333 -2.304 14.405 1.00 34.32 N ATOM 968 CA LEU A 65 -7.206 -3.228 14.659 1.00 71.42 C ATOM 969 C LEU A 65 -5.974 -2.414 15.127 1.00 64.03 C ATOM 970 O LEU A 65 -5.770 -1.281 14.692 1.00 2.43 O ATOM 971 CB LEU A 65 -6.875 -4.048 13.384 1.00 12.12 C ATOM 972 CG LEU A 65 -8.061 -4.857 12.764 1.00 71.32 C ATOM 973 CD1 LEU A 65 -7.648 -5.499 11.423 1.00 20.01 C ATOM 974 CD2 LEU A 65 -8.599 -5.920 13.754 1.00 14.35 C ATOM 0 H LEU A 65 -8.400 -1.999 13.434 1.00 34.32 H new ATOM 0 HA LEU A 65 -7.486 -3.932 15.442 1.00 71.42 H new ATOM 0 HB2 LEU A 65 -6.491 -3.365 12.626 1.00 12.12 H new ATOM 0 HB3 LEU A 65 -6.071 -4.744 13.622 1.00 12.12 H new ATOM 0 HG LEU A 65 -8.873 -4.157 12.565 1.00 71.32 H new ATOM 0 HD11 LEU A 65 -8.490 -6.056 11.012 1.00 20.01 H new ATOM 0 HD12 LEU A 65 -7.352 -4.719 10.722 1.00 20.01 H new ATOM 0 HD13 LEU A 65 -6.810 -6.176 11.587 1.00 20.01 H new ATOM 0 HD21 LEU A 65 -9.422 -6.464 13.292 1.00 14.35 H new ATOM 0 HD22 LEU A 65 -7.801 -6.617 14.008 1.00 14.35 H new ATOM 0 HD23 LEU A 65 -8.953 -5.428 14.660 1.00 14.35 H new ATOM 986 N GLN A 66 -5.168 -3.006 16.016 1.00 13.20 N ATOM 987 CA GLN A 66 -4.046 -2.317 16.711 1.00 12.42 C ATOM 988 C GLN A 66 -2.798 -3.249 16.804 1.00 63.21 C ATOM 989 O GLN A 66 -2.900 -4.432 16.464 1.00 61.31 O ATOM 990 CB GLN A 66 -4.526 -1.872 18.133 1.00 32.14 C ATOM 991 CG GLN A 66 -5.575 -0.743 18.133 1.00 62.01 C ATOM 992 CD GLN A 66 -6.023 -0.333 19.534 1.00 4.12 C ATOM 993 OE1 GLN A 66 -6.985 -0.868 20.076 1.00 54.23 O ATOM 994 NE2 GLN A 66 -5.323 0.606 20.142 1.00 64.51 N ATOM 0 H GLN A 66 -5.267 -3.985 16.284 1.00 13.20 H new ATOM 0 HA GLN A 66 -3.750 -1.436 16.142 1.00 12.42 H new ATOM 0 HB2 GLN A 66 -4.943 -2.737 18.648 1.00 32.14 H new ATOM 0 HB3 GLN A 66 -3.660 -1.545 18.708 1.00 32.14 H new ATOM 0 HG2 GLN A 66 -5.162 0.127 17.622 1.00 62.01 H new ATOM 0 HG3 GLN A 66 -6.445 -1.065 17.561 1.00 62.01 H new ATOM 0 HE21 GLN A 66 -4.527 1.035 19.670 1.00 64.51 H new ATOM 0 HE22 GLN A 66 -5.578 0.902 21.084 1.00 64.51 H new ATOM 1003 N PRO A 67 -1.581 -2.720 17.209 1.00 5.11 N ATOM 1004 CA PRO A 67 -0.371 -3.556 17.480 1.00 40.41 C ATOM 1005 C PRO A 67 -0.652 -4.853 18.310 1.00 63.44 C ATOM 1006 O PRO A 67 -0.957 -4.793 19.504 1.00 61.01 O ATOM 1007 CB PRO A 67 0.592 -2.577 18.231 1.00 4.14 C ATOM 1008 CG PRO A 67 -0.187 -1.301 18.430 1.00 30.05 C ATOM 1009 CD PRO A 67 -1.239 -1.281 17.349 1.00 24.15 C ATOM 0 HA PRO A 67 0.046 -3.953 16.555 1.00 40.41 H new ATOM 0 HB2 PRO A 67 0.906 -2.996 19.187 1.00 4.14 H new ATOM 0 HB3 PRO A 67 1.496 -2.396 17.650 1.00 4.14 H new ATOM 0 HG2 PRO A 67 -0.644 -1.273 19.419 1.00 30.05 H new ATOM 0 HG3 PRO A 67 0.465 -0.431 18.356 1.00 30.05 H new ATOM 0 HD2 PRO A 67 -2.105 -0.684 17.636 1.00 24.15 H new ATOM 0 HD3 PRO A 67 -0.857 -0.862 16.418 1.00 24.15 H new ATOM 1017 N GLY A 68 -0.543 -6.012 17.625 1.00 34.54 N ATOM 1018 CA GLY A 68 -0.765 -7.344 18.227 1.00 34.32 C ATOM 1019 C GLY A 68 -1.944 -8.144 17.638 1.00 20.41 C ATOM 1020 O GLY A 68 -2.025 -9.361 17.859 1.00 40.53 O ATOM 0 H GLY A 68 -0.298 -6.050 16.636 1.00 34.54 H new ATOM 0 HA2 GLY A 68 0.145 -7.933 18.113 1.00 34.32 H new ATOM 0 HA3 GLY A 68 -0.931 -7.218 19.297 1.00 34.32 H new ATOM 1024 N ASP A 69 -2.875 -7.480 16.914 1.00 54.33 N ATOM 1025 CA ASP A 69 -4.011 -8.179 16.238 1.00 71.42 C ATOM 1026 C ASP A 69 -3.512 -9.108 15.102 1.00 73.15 C ATOM 1027 O ASP A 69 -2.869 -8.650 14.153 1.00 12.13 O ATOM 1028 CB ASP A 69 -5.053 -7.160 15.687 1.00 75.32 C ATOM 1029 CG ASP A 69 -5.924 -6.541 16.796 1.00 51.33 C ATOM 1030 OD1 ASP A 69 -5.471 -5.599 17.471 1.00 74.12 O ATOM 1031 OD2 ASP A 69 -7.067 -7.006 17.012 1.00 3.23 O ATOM 0 H ASP A 69 -2.869 -6.469 16.779 1.00 54.33 H new ATOM 0 HA ASP A 69 -4.500 -8.798 16.990 1.00 71.42 H new ATOM 0 HB2 ASP A 69 -4.531 -6.365 15.155 1.00 75.32 H new ATOM 0 HB3 ASP A 69 -5.696 -7.660 14.963 1.00 75.32 H new ATOM 1036 N GLN A 70 -3.823 -10.415 15.211 1.00 54.54 N ATOM 1037 CA GLN A 70 -3.408 -11.423 14.212 1.00 23.52 C ATOM 1038 C GLN A 70 -4.496 -11.535 13.116 1.00 43.45 C ATOM 1039 O GLN A 70 -5.642 -11.896 13.405 1.00 53.42 O ATOM 1040 CB GLN A 70 -3.180 -12.804 14.902 1.00 61.21 C ATOM 1041 CG GLN A 70 -2.257 -13.767 14.124 1.00 52.42 C ATOM 1042 CD GLN A 70 -0.803 -13.285 14.044 1.00 5.20 C ATOM 1043 OE1 GLN A 70 -0.107 -13.537 13.076 1.00 32.22 O ATOM 1044 NE2 GLN A 70 -0.312 -12.643 15.087 1.00 61.21 N ATOM 0 H GLN A 70 -4.364 -10.800 15.986 1.00 54.54 H new ATOM 0 HA GLN A 70 -2.469 -11.114 13.752 1.00 23.52 H new ATOM 0 HB2 GLN A 70 -2.756 -12.635 15.892 1.00 61.21 H new ATOM 0 HB3 GLN A 70 -4.146 -13.286 15.048 1.00 61.21 H new ATOM 0 HG2 GLN A 70 -2.282 -14.747 14.601 1.00 52.42 H new ATOM 0 HG3 GLN A 70 -2.646 -13.895 13.114 1.00 52.42 H new ATOM 0 HE21 GLN A 70 -0.909 -12.440 15.889 1.00 61.21 H new ATOM 0 HE22 GLN A 70 0.665 -12.349 15.092 1.00 61.21 H new ATOM 1053 N VAL A 71 -4.124 -11.243 11.859 1.00 42.51 N ATOM 1054 CA VAL A 71 -5.072 -11.153 10.721 1.00 72.55 C ATOM 1055 C VAL A 71 -4.670 -12.102 9.561 1.00 45.23 C ATOM 1056 O VAL A 71 -3.577 -12.670 9.562 1.00 11.23 O ATOM 1057 CB VAL A 71 -5.147 -9.663 10.197 1.00 34.10 C ATOM 1058 CG1 VAL A 71 -5.616 -8.697 11.316 1.00 54.43 C ATOM 1059 CG2 VAL A 71 -3.791 -9.189 9.595 1.00 0.15 C ATOM 0 H VAL A 71 -3.155 -11.061 11.596 1.00 42.51 H new ATOM 0 HA VAL A 71 -6.053 -11.464 11.081 1.00 72.55 H new ATOM 0 HB VAL A 71 -5.887 -9.645 9.396 1.00 34.10 H new ATOM 0 HG11 VAL A 71 -5.658 -7.680 10.925 1.00 54.43 H new ATOM 0 HG12 VAL A 71 -6.606 -8.994 11.661 1.00 54.43 H new ATOM 0 HG13 VAL A 71 -4.914 -8.737 12.149 1.00 54.43 H new ATOM 0 HG21 VAL A 71 -3.887 -8.160 9.247 1.00 0.15 H new ATOM 0 HG22 VAL A 71 -3.015 -9.243 10.359 1.00 0.15 H new ATOM 0 HG23 VAL A 71 -3.520 -9.832 8.757 1.00 0.15 H new ATOM 1069 N ILE A 72 -5.587 -12.291 8.584 1.00 11.31 N ATOM 1070 CA ILE A 72 -5.296 -13.016 7.314 1.00 42.34 C ATOM 1071 C ILE A 72 -5.496 -12.067 6.100 1.00 10.42 C ATOM 1072 O ILE A 72 -6.464 -11.291 6.056 1.00 11.34 O ATOM 1073 CB ILE A 72 -6.209 -14.299 7.133 1.00 43.23 C ATOM 1074 CG1 ILE A 72 -6.096 -15.260 8.366 1.00 14.10 C ATOM 1075 CG2 ILE A 72 -5.888 -15.057 5.811 1.00 32.45 C ATOM 1076 CD1 ILE A 72 -4.712 -15.847 8.615 1.00 45.24 C ATOM 0 H ILE A 72 -6.546 -11.949 8.648 1.00 11.31 H new ATOM 0 HA ILE A 72 -4.259 -13.347 7.364 1.00 42.34 H new ATOM 0 HB ILE A 72 -7.239 -13.949 7.070 1.00 43.23 H new ATOM 0 HG12 ILE A 72 -6.407 -14.716 9.258 1.00 14.10 H new ATOM 0 HG13 ILE A 72 -6.801 -16.081 8.231 1.00 14.10 H new ATOM 0 HG21 ILE A 72 -6.536 -15.930 5.725 1.00 32.45 H new ATOM 0 HG22 ILE A 72 -6.057 -14.395 4.962 1.00 32.45 H new ATOM 0 HG23 ILE A 72 -4.846 -15.378 5.819 1.00 32.45 H new ATOM 0 HD11 ILE A 72 -4.744 -16.496 9.490 1.00 45.24 H new ATOM 0 HD12 ILE A 72 -4.400 -16.425 7.745 1.00 45.24 H new ATOM 0 HD13 ILE A 72 -4.000 -15.040 8.788 1.00 45.24 H new ATOM 1088 N LEU A 73 -4.568 -12.142 5.127 1.00 72.51 N ATOM 1089 CA LEU A 73 -4.608 -11.336 3.887 1.00 45.34 C ATOM 1090 C LEU A 73 -5.340 -12.107 2.757 1.00 34.21 C ATOM 1091 O LEU A 73 -4.823 -13.102 2.246 1.00 61.22 O ATOM 1092 CB LEU A 73 -3.160 -10.995 3.446 1.00 64.42 C ATOM 1093 CG LEU A 73 -2.271 -10.281 4.518 1.00 31.31 C ATOM 1094 CD1 LEU A 73 -0.832 -10.084 3.994 1.00 14.13 C ATOM 1095 CD2 LEU A 73 -2.892 -8.935 4.976 1.00 4.23 C ATOM 0 H LEU A 73 -3.763 -12.767 5.177 1.00 72.51 H new ATOM 0 HA LEU A 73 -5.156 -10.414 4.083 1.00 45.34 H new ATOM 0 HB2 LEU A 73 -2.664 -11.919 3.147 1.00 64.42 H new ATOM 0 HB3 LEU A 73 -3.210 -10.360 2.562 1.00 64.42 H new ATOM 0 HG LEU A 73 -2.227 -10.928 5.394 1.00 31.31 H new ATOM 0 HD11 LEU A 73 -0.232 -9.586 4.756 1.00 14.13 H new ATOM 0 HD12 LEU A 73 -0.393 -11.055 3.764 1.00 14.13 H new ATOM 0 HD13 LEU A 73 -0.854 -9.472 3.092 1.00 14.13 H new ATOM 0 HD21 LEU A 73 -2.245 -8.470 5.720 1.00 4.23 H new ATOM 0 HD22 LEU A 73 -2.994 -8.271 4.118 1.00 4.23 H new ATOM 0 HD23 LEU A 73 -3.874 -9.117 5.412 1.00 4.23 H new ATOM 1107 N GLU A 74 -6.553 -11.653 2.390 1.00 51.41 N ATOM 1108 CA GLU A 74 -7.347 -12.269 1.290 1.00 42.13 C ATOM 1109 C GLU A 74 -6.948 -11.769 -0.112 1.00 52.11 C ATOM 1110 O GLU A 74 -7.406 -12.325 -1.118 1.00 1.12 O ATOM 1111 CB GLU A 74 -8.864 -12.067 1.523 1.00 43.24 C ATOM 1112 CG GLU A 74 -9.427 -12.898 2.688 1.00 43.21 C ATOM 1113 CD GLU A 74 -9.148 -14.412 2.558 1.00 33.04 C ATOM 1114 OE1 GLU A 74 -9.577 -15.022 1.551 1.00 51.25 O ATOM 1115 OE2 GLU A 74 -8.488 -14.995 3.448 1.00 22.45 O ATOM 0 H GLU A 74 -7.013 -10.859 2.836 1.00 51.41 H new ATOM 0 HA GLU A 74 -7.116 -13.334 1.316 1.00 42.13 H new ATOM 0 HB2 GLU A 74 -9.056 -11.011 1.716 1.00 43.24 H new ATOM 0 HB3 GLU A 74 -9.400 -12.327 0.610 1.00 43.24 H new ATOM 0 HG2 GLU A 74 -8.997 -12.537 3.622 1.00 43.21 H new ATOM 0 HG3 GLU A 74 -10.504 -12.739 2.750 1.00 43.21 H new ATOM 1122 N ALA A 75 -6.118 -10.730 -0.187 1.00 63.22 N ATOM 1123 CA ALA A 75 -5.581 -10.240 -1.470 1.00 25.31 C ATOM 1124 C ALA A 75 -4.154 -10.745 -1.698 1.00 13.51 C ATOM 1125 O ALA A 75 -3.503 -11.270 -0.787 1.00 24.42 O ATOM 1126 CB ALA A 75 -5.597 -8.715 -1.507 1.00 41.21 C ATOM 0 H ALA A 75 -5.797 -10.204 0.626 1.00 63.22 H new ATOM 0 HA ALA A 75 -6.218 -10.626 -2.266 1.00 25.31 H new ATOM 0 HB1 ALA A 75 -5.197 -8.370 -2.461 1.00 41.21 H new ATOM 0 HB2 ALA A 75 -6.621 -8.359 -1.392 1.00 41.21 H new ATOM 0 HB3 ALA A 75 -4.984 -8.325 -0.694 1.00 41.21 H new ATOM 1132 N SER A 76 -3.655 -10.520 -2.914 1.00 53.54 N ATOM 1133 CA SER A 76 -2.286 -10.868 -3.294 1.00 32.41 C ATOM 1134 C SER A 76 -1.739 -9.795 -4.250 1.00 54.03 C ATOM 1135 O SER A 76 -2.361 -9.484 -5.273 1.00 34.43 O ATOM 1136 CB SER A 76 -2.261 -12.261 -3.965 1.00 10.43 C ATOM 1137 OG SER A 76 -0.938 -12.673 -4.248 1.00 73.51 O ATOM 0 H SER A 76 -4.192 -10.089 -3.666 1.00 53.54 H new ATOM 0 HA SER A 76 -1.656 -10.907 -2.405 1.00 32.41 H new ATOM 0 HB2 SER A 76 -2.739 -12.990 -3.311 1.00 10.43 H new ATOM 0 HB3 SER A 76 -2.840 -12.233 -4.888 1.00 10.43 H new ATOM 0 HG SER A 76 -0.954 -13.557 -4.670 1.00 73.51 H new ATOM 1143 N HIS A 77 -0.583 -9.216 -3.898 1.00 32.32 N ATOM 1144 CA HIS A 77 0.145 -8.250 -4.754 1.00 24.31 C ATOM 1145 C HIS A 77 1.368 -8.930 -5.419 1.00 42.34 C ATOM 1146 O HIS A 77 2.045 -8.322 -6.256 1.00 40.10 O ATOM 1147 CB HIS A 77 0.611 -7.034 -3.893 1.00 11.40 C ATOM 1148 CG HIS A 77 -0.511 -6.207 -3.276 1.00 73.45 C ATOM 1149 ND1 HIS A 77 -0.650 -4.863 -3.546 1.00 1.44 N ATOM 1150 CD2 HIS A 77 -1.480 -6.568 -2.388 1.00 71.32 C ATOM 1151 CE1 HIS A 77 -1.679 -4.446 -2.826 1.00 43.13 C ATOM 1152 NE2 HIS A 77 -2.209 -5.442 -2.108 1.00 65.25 N ATOM 0 H HIS A 77 -0.119 -9.401 -3.009 1.00 32.32 H new ATOM 0 HA HIS A 77 -0.525 -7.900 -5.540 1.00 24.31 H new ATOM 0 HB2 HIS A 77 1.253 -7.401 -3.092 1.00 11.40 H new ATOM 0 HB3 HIS A 77 1.222 -6.381 -4.516 1.00 11.40 H new ATOM 0 HD1 HIS A 77 -0.075 -4.302 -4.175 1.00 1.44 H new ATOM 0 HD2 HIS A 77 -1.643 -7.555 -1.982 1.00 71.32 H new ATOM 0 HE1 HIS A 77 -2.045 -3.430 -2.819 1.00 43.13 H new ATOM 1160 N MET A 78 1.623 -10.207 -5.048 1.00 33.54 N ATOM 1161 CA MET A 78 2.872 -10.929 -5.390 1.00 72.23 C ATOM 1162 C MET A 78 2.730 -12.456 -5.141 1.00 2.21 C ATOM 1163 O MET A 78 1.656 -12.938 -4.782 1.00 51.44 O ATOM 1164 CB MET A 78 4.048 -10.359 -4.547 1.00 21.44 C ATOM 1165 CG MET A 78 3.841 -10.450 -3.031 1.00 33.45 C ATOM 1166 SD MET A 78 5.190 -9.696 -2.108 1.00 72.42 S ATOM 1167 CE MET A 78 4.664 -10.013 -0.432 1.00 42.13 C ATOM 0 H MET A 78 0.968 -10.767 -4.502 1.00 33.54 H new ATOM 0 HA MET A 78 3.074 -10.782 -6.451 1.00 72.23 H new ATOM 0 HB2 MET A 78 4.961 -10.894 -4.810 1.00 21.44 H new ATOM 0 HB3 MET A 78 4.201 -9.315 -4.819 1.00 21.44 H new ATOM 0 HG2 MET A 78 2.904 -9.961 -2.765 1.00 33.45 H new ATOM 0 HG3 MET A 78 3.747 -11.497 -2.742 1.00 33.45 H new ATOM 0 HE1 MET A 78 4.777 -9.106 0.162 1.00 42.13 H new ATOM 0 HE2 MET A 78 3.618 -10.320 -0.431 1.00 42.13 H new ATOM 0 HE3 MET A 78 5.276 -10.807 -0.003 1.00 42.13 H new ATOM 1177 N LYS A 79 3.833 -13.200 -5.341 1.00 42.41 N ATOM 1178 CA LYS A 79 3.887 -14.665 -5.091 1.00 51.35 C ATOM 1179 C LYS A 79 3.560 -15.040 -3.605 1.00 61.53 C ATOM 1180 O LYS A 79 4.296 -14.669 -2.680 1.00 21.52 O ATOM 1181 CB LYS A 79 5.287 -15.230 -5.508 1.00 33.54 C ATOM 1182 CG LYS A 79 5.426 -15.679 -6.985 1.00 64.24 C ATOM 1183 CD LYS A 79 5.078 -14.588 -8.019 1.00 3.41 C ATOM 1184 CE LYS A 79 5.336 -15.054 -9.465 1.00 12.14 C ATOM 1185 NZ LYS A 79 4.611 -16.312 -9.789 1.00 72.00 N ATOM 0 H LYS A 79 4.713 -12.811 -5.679 1.00 42.41 H new ATOM 0 HA LYS A 79 3.112 -15.125 -5.705 1.00 51.35 H new ATOM 0 HB2 LYS A 79 6.039 -14.466 -5.309 1.00 33.54 H new ATOM 0 HB3 LYS A 79 5.519 -16.081 -4.867 1.00 33.54 H new ATOM 0 HG2 LYS A 79 6.450 -16.011 -7.156 1.00 64.24 H new ATOM 0 HG3 LYS A 79 4.779 -16.540 -7.152 1.00 64.24 H new ATOM 0 HD2 LYS A 79 4.030 -14.308 -7.911 1.00 3.41 H new ATOM 0 HD3 LYS A 79 5.669 -13.695 -7.816 1.00 3.41 H new ATOM 0 HE2 LYS A 79 5.028 -14.271 -10.158 1.00 12.14 H new ATOM 0 HE3 LYS A 79 6.406 -15.206 -9.610 1.00 12.14 H new ATOM 0 HZ1 LYS A 79 4.704 -16.514 -10.805 1.00 72.00 H new ATOM 0 HZ2 LYS A 79 5.017 -17.097 -9.241 1.00 72.00 H new ATOM 0 HZ3 LYS A 79 3.605 -16.205 -9.548 1.00 72.00 H new ATOM 1199 N GLY A 80 2.424 -15.752 -3.409 1.00 22.42 N ATOM 1200 CA GLY A 80 2.069 -16.375 -2.118 1.00 73.33 C ATOM 1201 C GLY A 80 1.600 -15.410 -1.015 1.00 74.52 C ATOM 1202 O GLY A 80 1.749 -15.717 0.176 1.00 4.41 O ATOM 0 H GLY A 80 1.732 -15.908 -4.142 1.00 22.42 H new ATOM 0 HA2 GLY A 80 1.280 -17.107 -2.294 1.00 73.33 H new ATOM 0 HA3 GLY A 80 2.936 -16.923 -1.750 1.00 73.33 H new ATOM 1206 N MET A 81 1.016 -14.253 -1.391 1.00 1.33 N ATOM 1207 CA MET A 81 0.524 -13.256 -0.402 1.00 51.32 C ATOM 1208 C MET A 81 -0.904 -13.609 0.115 1.00 54.31 C ATOM 1209 O MET A 81 -1.188 -13.466 1.311 1.00 14.54 O ATOM 1210 CB MET A 81 0.556 -11.827 -1.009 1.00 53.44 C ATOM 1211 CG MET A 81 0.179 -10.711 -0.020 1.00 54.33 C ATOM 1212 SD MET A 81 0.273 -9.063 -0.760 1.00 24.43 S ATOM 1213 CE MET A 81 -0.159 -8.021 0.640 1.00 13.04 C ATOM 0 H MET A 81 0.872 -13.982 -2.364 1.00 1.33 H new ATOM 0 HA MET A 81 1.194 -13.284 0.457 1.00 51.32 H new ATOM 0 HB2 MET A 81 1.556 -11.631 -1.396 1.00 53.44 H new ATOM 0 HB3 MET A 81 -0.127 -11.790 -1.858 1.00 53.44 H new ATOM 0 HG2 MET A 81 -0.833 -10.883 0.347 1.00 54.33 H new ATOM 0 HG3 MET A 81 0.843 -10.756 0.843 1.00 54.33 H new ATOM 0 HE1 MET A 81 0.095 -6.985 0.415 1.00 13.04 H new ATOM 0 HE2 MET A 81 -1.229 -8.099 0.835 1.00 13.04 H new ATOM 0 HE3 MET A 81 0.395 -8.347 1.521 1.00 13.04 H new ATOM 1223 N LYS A 82 -1.805 -14.039 -0.797 1.00 51.52 N ATOM 1224 CA LYS A 82 -3.165 -14.508 -0.410 1.00 73.23 C ATOM 1225 C LYS A 82 -3.102 -15.800 0.441 1.00 35.11 C ATOM 1226 O LYS A 82 -2.407 -16.757 0.084 1.00 34.30 O ATOM 1227 CB LYS A 82 -4.077 -14.727 -1.651 1.00 5.14 C ATOM 1228 CG LYS A 82 -5.524 -15.172 -1.301 1.00 4.24 C ATOM 1229 CD LYS A 82 -6.457 -15.276 -2.529 1.00 42.35 C ATOM 1230 CE LYS A 82 -7.870 -15.775 -2.159 1.00 44.01 C ATOM 1231 NZ LYS A 82 -8.542 -14.899 -1.158 1.00 30.50 N ATOM 0 H LYS A 82 -1.622 -14.073 -1.800 1.00 51.52 H new ATOM 0 HA LYS A 82 -3.605 -13.717 0.198 1.00 73.23 H new ATOM 0 HB2 LYS A 82 -4.121 -13.801 -2.225 1.00 5.14 H new ATOM 0 HB3 LYS A 82 -3.622 -15.480 -2.295 1.00 5.14 H new ATOM 0 HG2 LYS A 82 -5.486 -16.140 -0.802 1.00 4.24 H new ATOM 0 HG3 LYS A 82 -5.951 -14.464 -0.591 1.00 4.24 H new ATOM 0 HD2 LYS A 82 -6.534 -14.299 -3.006 1.00 42.35 H new ATOM 0 HD3 LYS A 82 -6.016 -15.954 -3.260 1.00 42.35 H new ATOM 0 HE2 LYS A 82 -8.481 -15.826 -3.060 1.00 44.01 H new ATOM 0 HE3 LYS A 82 -7.802 -16.788 -1.762 1.00 44.01 H new ATOM 0 HZ1 LYS A 82 -9.508 -14.685 -1.477 1.00 30.50 H new ATOM 0 HZ2 LYS A 82 -8.581 -15.387 -0.240 1.00 30.50 H new ATOM 0 HZ3 LYS A 82 -8.007 -14.013 -1.057 1.00 30.50 H new ATOM 1245 N GLY A 83 -3.825 -15.797 1.577 1.00 40.02 N ATOM 1246 CA GLY A 83 -3.855 -16.930 2.509 1.00 24.41 C ATOM 1247 C GLY A 83 -2.791 -16.832 3.607 1.00 53.50 C ATOM 1248 O GLY A 83 -2.776 -17.654 4.533 1.00 41.55 O ATOM 0 H GLY A 83 -4.402 -15.009 1.870 1.00 40.02 H new ATOM 0 HA2 GLY A 83 -4.841 -16.987 2.970 1.00 24.41 H new ATOM 0 HA3 GLY A 83 -3.710 -17.855 1.952 1.00 24.41 H new ATOM 1252 N ALA A 84 -1.903 -15.818 3.508 1.00 4.32 N ATOM 1253 CA ALA A 84 -0.809 -15.610 4.472 1.00 42.42 C ATOM 1254 C ALA A 84 -1.315 -15.015 5.798 1.00 14.25 C ATOM 1255 O ALA A 84 -2.177 -14.122 5.812 1.00 14.42 O ATOM 1256 CB ALA A 84 0.279 -14.710 3.862 1.00 62.40 C ATOM 0 H ALA A 84 -1.927 -15.126 2.759 1.00 4.32 H new ATOM 0 HA ALA A 84 -0.381 -16.587 4.695 1.00 42.42 H new ATOM 0 HB1 ALA A 84 1.080 -14.566 4.587 1.00 62.40 H new ATOM 0 HB2 ALA A 84 0.681 -15.182 2.965 1.00 62.40 H new ATOM 0 HB3 ALA A 84 -0.152 -13.744 3.601 1.00 62.40 H new ATOM 1262 N THR A 85 -0.752 -15.520 6.901 1.00 65.31 N ATOM 1263 CA THR A 85 -1.029 -15.014 8.252 1.00 71.15 C ATOM 1264 C THR A 85 -0.125 -13.800 8.524 1.00 14.00 C ATOM 1265 O THR A 85 1.105 -13.918 8.492 1.00 60.55 O ATOM 1266 CB THR A 85 -0.781 -16.111 9.349 1.00 13.42 C ATOM 1267 OG1 THR A 85 -1.525 -17.301 9.033 1.00 53.00 O ATOM 1268 CG2 THR A 85 -1.188 -15.626 10.758 1.00 60.15 C ATOM 0 H THR A 85 -0.088 -16.294 6.883 1.00 65.31 H new ATOM 0 HA THR A 85 -2.080 -14.729 8.302 1.00 71.15 H new ATOM 0 HB THR A 85 0.288 -16.322 9.356 1.00 13.42 H new ATOM 0 HG1 THR A 85 -1.363 -17.980 9.721 1.00 53.00 H new ATOM 0 HG21 THR A 85 -0.999 -16.417 11.484 1.00 60.15 H new ATOM 0 HG22 THR A 85 -0.604 -14.744 11.022 1.00 60.15 H new ATOM 0 HG23 THR A 85 -2.248 -15.374 10.764 1.00 60.15 H new ATOM 1276 N ALA A 86 -0.736 -12.645 8.791 1.00 53.34 N ATOM 1277 CA ALA A 86 -0.026 -11.386 9.088 1.00 55.23 C ATOM 1278 C ALA A 86 -0.362 -10.914 10.515 1.00 53.22 C ATOM 1279 O ALA A 86 -1.326 -11.383 11.116 1.00 10.44 O ATOM 1280 CB ALA A 86 -0.409 -10.318 8.048 1.00 32.21 C ATOM 0 H ALA A 86 -1.751 -12.549 8.809 1.00 53.34 H new ATOM 0 HA ALA A 86 1.050 -11.553 9.032 1.00 55.23 H new ATOM 0 HB1 ALA A 86 0.117 -9.389 8.270 1.00 32.21 H new ATOM 0 HB2 ALA A 86 -0.131 -10.664 7.052 1.00 32.21 H new ATOM 0 HB3 ALA A 86 -1.484 -10.144 8.084 1.00 32.21 H new ATOM 1286 N GLU A 87 0.450 -10.004 11.061 1.00 34.12 N ATOM 1287 CA GLU A 87 0.155 -9.340 12.351 1.00 33.22 C ATOM 1288 C GLU A 87 0.247 -7.816 12.180 1.00 34.52 C ATOM 1289 O GLU A 87 1.192 -7.317 11.557 1.00 50.11 O ATOM 1290 CB GLU A 87 1.128 -9.812 13.466 1.00 12.13 C ATOM 1291 CG GLU A 87 0.818 -9.225 14.865 1.00 1.22 C ATOM 1292 CD GLU A 87 1.797 -9.700 15.954 1.00 73.34 C ATOM 1293 OE1 GLU A 87 1.649 -10.848 16.436 1.00 63.54 O ATOM 1294 OE2 GLU A 87 2.733 -8.950 16.310 1.00 32.53 O ATOM 0 H GLU A 87 1.325 -9.703 10.632 1.00 34.12 H new ATOM 0 HA GLU A 87 -0.856 -9.614 12.653 1.00 33.22 H new ATOM 0 HB2 GLU A 87 1.096 -10.900 13.525 1.00 12.13 H new ATOM 0 HB3 GLU A 87 2.145 -9.538 13.186 1.00 12.13 H new ATOM 0 HG2 GLU A 87 0.847 -8.137 14.810 1.00 1.22 H new ATOM 0 HG3 GLU A 87 -0.196 -9.503 15.152 1.00 1.22 H new ATOM 1301 N ILE A 88 -0.751 -7.094 12.715 1.00 52.33 N ATOM 1302 CA ILE A 88 -0.754 -5.622 12.739 1.00 23.44 C ATOM 1303 C ILE A 88 0.381 -5.119 13.675 1.00 14.31 C ATOM 1304 O ILE A 88 0.283 -5.239 14.889 1.00 73.32 O ATOM 1305 CB ILE A 88 -2.148 -5.048 13.226 1.00 55.54 C ATOM 1306 CG1 ILE A 88 -3.343 -5.682 12.436 1.00 3.24 C ATOM 1307 CG2 ILE A 88 -2.194 -3.496 13.134 1.00 72.35 C ATOM 1308 CD1 ILE A 88 -3.386 -5.365 10.947 1.00 64.13 C ATOM 0 H ILE A 88 -1.577 -7.513 13.142 1.00 52.33 H new ATOM 0 HA ILE A 88 -0.586 -5.265 11.723 1.00 23.44 H new ATOM 0 HB ILE A 88 -2.253 -5.326 14.275 1.00 55.54 H new ATOM 0 HG12 ILE A 88 -3.303 -6.764 12.558 1.00 3.24 H new ATOM 0 HG13 ILE A 88 -4.275 -5.344 12.889 1.00 3.24 H new ATOM 0 HG21 ILE A 88 -3.166 -3.140 13.476 1.00 72.35 H new ATOM 0 HG22 ILE A 88 -1.410 -3.071 13.761 1.00 72.35 H new ATOM 0 HG23 ILE A 88 -2.039 -3.188 12.100 1.00 72.35 H new ATOM 0 HD11 ILE A 88 -4.251 -5.852 10.496 1.00 64.13 H new ATOM 0 HD12 ILE A 88 -3.463 -4.287 10.807 1.00 64.13 H new ATOM 0 HD13 ILE A 88 -2.476 -5.729 10.471 1.00 64.13 H new ATOM 1320 N ASP A 89 1.476 -4.631 13.077 1.00 10.52 N ATOM 1321 CA ASP A 89 2.594 -3.974 13.789 1.00 41.53 C ATOM 1322 C ASP A 89 2.144 -2.601 14.353 1.00 11.22 C ATOM 1323 O ASP A 89 2.488 -2.234 15.481 1.00 54.33 O ATOM 1324 CB ASP A 89 3.788 -3.811 12.799 1.00 35.00 C ATOM 1325 CG ASP A 89 4.931 -2.920 13.324 1.00 3.41 C ATOM 1326 OD1 ASP A 89 5.656 -3.349 14.248 1.00 1.21 O ATOM 1327 OD2 ASP A 89 5.101 -1.779 12.831 1.00 64.11 O ATOM 0 H ASP A 89 1.618 -4.680 12.068 1.00 10.52 H new ATOM 0 HA ASP A 89 2.909 -4.587 14.634 1.00 41.53 H new ATOM 0 HB2 ASP A 89 4.189 -4.797 12.567 1.00 35.00 H new ATOM 0 HB3 ASP A 89 3.415 -3.391 11.865 1.00 35.00 H new ATOM 1332 N SER A 90 1.358 -1.868 13.543 1.00 43.50 N ATOM 1333 CA SER A 90 0.892 -0.494 13.867 1.00 1.11 C ATOM 1334 C SER A 90 -0.425 -0.176 13.121 1.00 63.40 C ATOM 1335 O SER A 90 -0.661 -0.672 12.012 1.00 31.21 O ATOM 1336 CB SER A 90 1.966 0.573 13.496 1.00 4.25 C ATOM 1337 OG SER A 90 3.191 0.366 14.184 1.00 61.12 O ATOM 0 H SER A 90 1.024 -2.207 12.641 1.00 43.50 H new ATOM 0 HA SER A 90 0.719 -0.455 14.942 1.00 1.11 H new ATOM 0 HB2 SER A 90 2.146 0.546 12.421 1.00 4.25 H new ATOM 0 HB3 SER A 90 1.584 1.567 13.730 1.00 4.25 H new ATOM 0 HG SER A 90 3.730 -0.295 13.701 1.00 61.12 H new ATOM 1343 N ALA A 91 -1.270 0.663 13.742 1.00 22.11 N ATOM 1344 CA ALA A 91 -2.512 1.185 13.131 1.00 64.13 C ATOM 1345 C ALA A 91 -2.289 2.658 12.726 1.00 52.13 C ATOM 1346 O ALA A 91 -1.816 3.461 13.543 1.00 10.42 O ATOM 1347 CB ALA A 91 -3.672 1.060 14.133 1.00 30.11 C ATOM 0 H ALA A 91 -1.113 1.003 14.691 1.00 22.11 H new ATOM 0 HA ALA A 91 -2.767 0.609 12.242 1.00 64.13 H new ATOM 0 HB1 ALA A 91 -4.586 1.445 13.681 1.00 30.11 H new ATOM 0 HB2 ALA A 91 -3.812 0.012 14.399 1.00 30.11 H new ATOM 0 HB3 ALA A 91 -3.441 1.634 15.030 1.00 30.11 H new ATOM 1353 N GLU A 92 -2.642 3.019 11.477 1.00 70.24 N ATOM 1354 CA GLU A 92 -2.256 4.329 10.900 1.00 24.22 C ATOM 1355 C GLU A 92 -3.391 4.953 10.046 1.00 41.24 C ATOM 1356 O GLU A 92 -3.791 4.402 9.013 1.00 63.22 O ATOM 1357 CB GLU A 92 -0.947 4.122 10.084 1.00 24.11 C ATOM 1358 CG GLU A 92 -0.281 5.407 9.536 1.00 41.11 C ATOM 1359 CD GLU A 92 1.177 5.209 9.060 1.00 55.23 C ATOM 1360 OE1 GLU A 92 1.602 4.053 8.806 1.00 3.22 O ATOM 1361 OE2 GLU A 92 1.911 6.214 8.937 1.00 61.34 O ATOM 0 H GLU A 92 -3.189 2.430 10.850 1.00 70.24 H new ATOM 0 HA GLU A 92 -2.080 5.047 11.701 1.00 24.22 H new ATOM 0 HB2 GLU A 92 -0.226 3.604 10.716 1.00 24.11 H new ATOM 0 HB3 GLU A 92 -1.166 3.463 9.244 1.00 24.11 H new ATOM 0 HG2 GLU A 92 -0.875 5.785 8.704 1.00 41.11 H new ATOM 0 HG3 GLU A 92 -0.298 6.172 10.313 1.00 41.11 H new ATOM 1368 N LYS A 93 -3.915 6.108 10.501 1.00 54.41 N ATOM 1369 CA LYS A 93 -4.956 6.867 9.780 1.00 50.11 C ATOM 1370 C LYS A 93 -4.288 7.863 8.804 1.00 4.32 C ATOM 1371 O LYS A 93 -3.898 8.970 9.195 1.00 31.30 O ATOM 1372 CB LYS A 93 -5.863 7.633 10.789 1.00 44.51 C ATOM 1373 CG LYS A 93 -6.672 6.747 11.762 1.00 21.41 C ATOM 1374 CD LYS A 93 -7.775 5.922 11.062 1.00 32.21 C ATOM 1375 CE LYS A 93 -8.648 5.148 12.066 1.00 3.31 C ATOM 1376 NZ LYS A 93 -9.766 4.435 11.404 1.00 53.53 N ATOM 0 H LYS A 93 -3.628 6.541 11.379 1.00 54.41 H new ATOM 0 HA LYS A 93 -5.577 6.172 9.215 1.00 50.11 H new ATOM 0 HB2 LYS A 93 -5.237 8.307 11.374 1.00 44.51 H new ATOM 0 HB3 LYS A 93 -6.560 8.254 10.226 1.00 44.51 H new ATOM 0 HG2 LYS A 93 -5.991 6.069 12.276 1.00 21.41 H new ATOM 0 HG3 LYS A 93 -7.128 7.379 12.524 1.00 21.41 H new ATOM 0 HD2 LYS A 93 -8.406 6.588 10.473 1.00 32.21 H new ATOM 0 HD3 LYS A 93 -7.315 5.220 10.366 1.00 32.21 H new ATOM 0 HE2 LYS A 93 -8.029 4.430 12.604 1.00 3.31 H new ATOM 0 HE3 LYS A 93 -9.049 5.841 12.806 1.00 3.31 H new ATOM 0 HZ1 LYS A 93 -10.179 3.747 12.066 1.00 53.53 H new ATOM 0 HZ2 LYS A 93 -10.494 5.121 11.118 1.00 53.53 H new ATOM 0 HZ3 LYS A 93 -9.410 3.936 10.564 1.00 53.53 H new ATOM 1390 N THR A 94 -4.121 7.447 7.546 1.00 20.24 N ATOM 1391 CA THR A 94 -3.565 8.299 6.471 1.00 54.25 C ATOM 1392 C THR A 94 -4.366 8.098 5.169 1.00 51.43 C ATOM 1393 O THR A 94 -4.982 7.042 4.968 1.00 64.13 O ATOM 1394 CB THR A 94 -2.045 8.012 6.230 1.00 51.34 C ATOM 1395 OG1 THR A 94 -1.548 8.811 5.136 1.00 41.43 O ATOM 1396 CG2 THR A 94 -1.774 6.523 5.961 1.00 42.12 C ATOM 0 H THR A 94 -4.366 6.507 7.235 1.00 20.24 H new ATOM 0 HA THR A 94 -3.653 9.338 6.789 1.00 54.25 H new ATOM 0 HB THR A 94 -1.517 8.284 7.144 1.00 51.34 H new ATOM 0 HG1 THR A 94 -0.706 9.239 5.399 1.00 41.43 H new ATOM 0 HG21 THR A 94 -0.707 6.371 5.800 1.00 42.12 H new ATOM 0 HG22 THR A 94 -2.099 5.933 6.818 1.00 42.12 H new ATOM 0 HG23 THR A 94 -2.324 6.208 5.074 1.00 42.12 H new ATOM 1404 N THR A 95 -4.368 9.114 4.297 1.00 43.32 N ATOM 1405 CA THR A 95 -5.088 9.049 3.006 1.00 72.21 C ATOM 1406 C THR A 95 -4.208 8.351 1.949 1.00 40.41 C ATOM 1407 O THR A 95 -3.065 8.757 1.727 1.00 15.02 O ATOM 1408 CB THR A 95 -5.505 10.468 2.500 1.00 51.03 C ATOM 1409 OG1 THR A 95 -6.234 11.142 3.539 1.00 35.12 O ATOM 1410 CG2 THR A 95 -6.385 10.399 1.229 1.00 71.41 C ATOM 0 H THR A 95 -3.880 9.995 4.457 1.00 43.32 H new ATOM 0 HA THR A 95 -6.000 8.473 3.163 1.00 72.21 H new ATOM 0 HB THR A 95 -4.595 11.012 2.247 1.00 51.03 H new ATOM 0 HG1 THR A 95 -6.497 12.034 3.229 1.00 35.12 H new ATOM 0 HG21 THR A 95 -6.650 11.408 0.915 1.00 71.41 H new ATOM 0 HG22 THR A 95 -5.833 9.904 0.431 1.00 71.41 H new ATOM 0 HG23 THR A 95 -7.293 9.836 1.445 1.00 71.41 H new ATOM 1418 N VAL A 96 -4.769 7.333 1.278 1.00 41.12 N ATOM 1419 CA VAL A 96 -4.047 6.509 0.294 1.00 21.42 C ATOM 1420 C VAL A 96 -4.608 6.784 -1.123 1.00 4.41 C ATOM 1421 O VAL A 96 -5.824 6.857 -1.322 1.00 24.11 O ATOM 1422 CB VAL A 96 -4.114 4.965 0.636 1.00 0.21 C ATOM 1423 CG1 VAL A 96 -3.258 4.624 1.880 1.00 13.53 C ATOM 1424 CG2 VAL A 96 -5.573 4.475 0.825 1.00 63.14 C ATOM 0 H VAL A 96 -5.743 7.056 1.403 1.00 41.12 H new ATOM 0 HA VAL A 96 -2.994 6.789 0.330 1.00 21.42 H new ATOM 0 HB VAL A 96 -3.697 4.435 -0.220 1.00 0.21 H new ATOM 0 HG11 VAL A 96 -3.326 3.556 2.087 1.00 13.53 H new ATOM 0 HG12 VAL A 96 -2.218 4.891 1.691 1.00 13.53 H new ATOM 0 HG13 VAL A 96 -3.626 5.184 2.739 1.00 13.53 H new ATOM 0 HG21 VAL A 96 -5.572 3.410 1.058 1.00 63.14 H new ATOM 0 HG22 VAL A 96 -6.039 5.025 1.643 1.00 63.14 H new ATOM 0 HG23 VAL A 96 -6.136 4.645 -0.093 1.00 63.14 H new ATOM 1434 N TYR A 97 -3.711 6.964 -2.098 1.00 52.51 N ATOM 1435 CA TYR A 97 -4.073 7.355 -3.472 1.00 71.33 C ATOM 1436 C TYR A 97 -3.716 6.266 -4.504 1.00 11.34 C ATOM 1437 O TYR A 97 -2.666 5.616 -4.418 1.00 24.33 O ATOM 1438 CB TYR A 97 -3.373 8.690 -3.839 1.00 10.13 C ATOM 1439 CG TYR A 97 -3.845 9.883 -2.988 1.00 51.02 C ATOM 1440 CD1 TYR A 97 -5.081 10.484 -3.228 1.00 33.23 C ATOM 1441 CD2 TYR A 97 -3.070 10.398 -1.943 1.00 44.24 C ATOM 1442 CE1 TYR A 97 -5.524 11.546 -2.471 1.00 41.51 C ATOM 1443 CE2 TYR A 97 -3.516 11.463 -1.183 1.00 31.24 C ATOM 1444 CZ TYR A 97 -4.741 12.034 -1.454 1.00 45.12 C ATOM 1445 OH TYR A 97 -5.192 13.096 -0.700 1.00 42.04 O ATOM 0 H TYR A 97 -2.708 6.843 -1.960 1.00 52.51 H new ATOM 0 HA TYR A 97 -5.155 7.484 -3.503 1.00 71.33 H new ATOM 0 HB2 TYR A 97 -2.296 8.572 -3.719 1.00 10.13 H new ATOM 0 HB3 TYR A 97 -3.555 8.909 -4.891 1.00 10.13 H new ATOM 0 HD1 TYR A 97 -5.705 10.108 -4.026 1.00 33.23 H new ATOM 0 HD2 TYR A 97 -2.108 9.957 -1.727 1.00 44.24 H new ATOM 0 HE1 TYR A 97 -6.485 11.994 -2.677 1.00 41.51 H new ATOM 0 HE2 TYR A 97 -2.906 11.847 -0.379 1.00 31.24 H new ATOM 0 HH TYR A 97 -4.427 13.573 -0.316 1.00 42.04 H new ATOM 1455 N MET A 98 -4.625 6.087 -5.472 1.00 51.44 N ATOM 1456 CA MET A 98 -4.421 5.216 -6.638 1.00 10.33 C ATOM 1457 C MET A 98 -3.776 6.057 -7.765 1.00 22.13 C ATOM 1458 O MET A 98 -4.412 6.978 -8.277 1.00 3.12 O ATOM 1459 CB MET A 98 -5.793 4.635 -7.074 1.00 14.22 C ATOM 1460 CG MET A 98 -5.737 3.645 -8.237 1.00 54.21 C ATOM 1461 SD MET A 98 -7.368 3.022 -8.717 1.00 35.04 S ATOM 1462 CE MET A 98 -8.154 4.487 -9.394 1.00 25.34 C ATOM 0 H MET A 98 -5.534 6.549 -5.467 1.00 51.44 H new ATOM 0 HA MET A 98 -3.759 4.383 -6.402 1.00 10.33 H new ATOM 0 HB2 MET A 98 -6.249 4.140 -6.217 1.00 14.22 H new ATOM 0 HB3 MET A 98 -6.448 5.461 -7.351 1.00 14.22 H new ATOM 0 HG2 MET A 98 -5.272 4.128 -9.096 1.00 54.21 H new ATOM 0 HG3 MET A 98 -5.100 2.805 -7.961 1.00 54.21 H new ATOM 0 HE1 MET A 98 -8.969 4.798 -8.740 1.00 25.34 H new ATOM 0 HE2 MET A 98 -7.422 5.291 -9.469 1.00 25.34 H new ATOM 0 HE3 MET A 98 -8.549 4.263 -10.385 1.00 25.34 H new ATOM 1472 N VAL A 99 -2.507 5.762 -8.116 1.00 15.23 N ATOM 1473 CA VAL A 99 -1.706 6.616 -9.037 1.00 42.35 C ATOM 1474 C VAL A 99 -1.194 5.845 -10.278 1.00 60.53 C ATOM 1475 O VAL A 99 -0.875 4.666 -10.206 1.00 72.23 O ATOM 1476 CB VAL A 99 -0.473 7.279 -8.298 1.00 22.03 C ATOM 1477 CG1 VAL A 99 -0.948 8.243 -7.183 1.00 41.41 C ATOM 1478 CG2 VAL A 99 0.505 6.209 -7.732 1.00 11.34 C ATOM 0 H VAL A 99 -2.009 4.939 -7.778 1.00 15.23 H new ATOM 0 HA VAL A 99 -2.389 7.395 -9.375 1.00 42.35 H new ATOM 0 HB VAL A 99 0.076 7.860 -9.039 1.00 22.03 H new ATOM 0 HG11 VAL A 99 -0.082 8.685 -6.691 1.00 41.41 H new ATOM 0 HG12 VAL A 99 -1.559 9.033 -7.621 1.00 41.41 H new ATOM 0 HG13 VAL A 99 -1.538 7.691 -6.452 1.00 41.41 H new ATOM 0 HG21 VAL A 99 1.337 6.705 -7.233 1.00 11.34 H new ATOM 0 HG22 VAL A 99 -0.022 5.576 -7.018 1.00 11.34 H new ATOM 0 HG23 VAL A 99 0.885 5.596 -8.549 1.00 11.34 H new ATOM 1488 N ASP A 100 -1.119 6.547 -11.420 1.00 11.23 N ATOM 1489 CA ASP A 100 -0.491 6.042 -12.656 1.00 73.52 C ATOM 1490 C ASP A 100 0.922 6.658 -12.775 1.00 14.32 C ATOM 1491 O ASP A 100 1.045 7.874 -12.936 1.00 11.33 O ATOM 1492 CB ASP A 100 -1.358 6.442 -13.895 1.00 50.00 C ATOM 1493 CG ASP A 100 -2.760 5.792 -13.936 1.00 32.33 C ATOM 1494 OD1 ASP A 100 -3.406 5.646 -12.875 1.00 62.33 O ATOM 1495 OD2 ASP A 100 -3.235 5.445 -15.037 1.00 71.03 O ATOM 0 H ASP A 100 -1.496 7.490 -11.514 1.00 11.23 H new ATOM 0 HA ASP A 100 -0.419 4.955 -12.622 1.00 73.52 H new ATOM 0 HB2 ASP A 100 -1.474 7.526 -13.906 1.00 50.00 H new ATOM 0 HB3 ASP A 100 -0.819 6.170 -14.802 1.00 50.00 H new ATOM 1500 N TYR A 101 1.984 5.831 -12.721 1.00 22.11 N ATOM 1501 CA TYR A 101 3.385 6.333 -12.680 1.00 22.34 C ATOM 1502 C TYR A 101 4.260 5.675 -13.766 1.00 53.25 C ATOM 1503 O TYR A 101 3.940 4.599 -14.269 1.00 12.21 O ATOM 1504 CB TYR A 101 4.016 6.111 -11.264 1.00 45.23 C ATOM 1505 CG TYR A 101 4.370 4.650 -10.913 1.00 70.34 C ATOM 1506 CD1 TYR A 101 3.418 3.778 -10.387 1.00 62.33 C ATOM 1507 CD2 TYR A 101 5.669 4.151 -11.099 1.00 10.21 C ATOM 1508 CE1 TYR A 101 3.741 2.470 -10.071 1.00 43.34 C ATOM 1509 CE2 TYR A 101 5.989 2.846 -10.786 1.00 40.31 C ATOM 1510 CZ TYR A 101 5.024 2.012 -10.266 1.00 74.52 C ATOM 1511 OH TYR A 101 5.342 0.710 -9.948 1.00 72.34 O ATOM 0 H TYR A 101 1.906 4.814 -12.704 1.00 22.11 H new ATOM 0 HA TYR A 101 3.350 7.403 -12.884 1.00 22.34 H new ATOM 0 HB2 TYR A 101 4.922 6.713 -11.191 1.00 45.23 H new ATOM 0 HB3 TYR A 101 3.321 6.488 -10.513 1.00 45.23 H new ATOM 0 HD1 TYR A 101 2.410 4.130 -10.223 1.00 62.33 H new ATOM 0 HD2 TYR A 101 6.434 4.802 -11.495 1.00 10.21 H new ATOM 0 HE1 TYR A 101 2.986 1.809 -9.671 1.00 43.34 H new ATOM 0 HE2 TYR A 101 6.992 2.480 -10.948 1.00 40.31 H new ATOM 0 HH TYR A 101 6.288 0.546 -10.147 1.00 72.34 H new ATOM 1521 N THR A 102 5.377 6.338 -14.115 1.00 74.05 N ATOM 1522 CA THR A 102 6.401 5.772 -15.021 1.00 3.31 C ATOM 1523 C THR A 102 7.625 5.322 -14.195 1.00 5.35 C ATOM 1524 O THR A 102 8.400 6.159 -13.713 1.00 52.24 O ATOM 1525 CB THR A 102 6.843 6.802 -16.120 1.00 35.24 C ATOM 1526 OG1 THR A 102 5.684 7.315 -16.803 1.00 5.34 O ATOM 1527 CG2 THR A 102 7.811 6.173 -17.152 1.00 30.53 C ATOM 0 H THR A 102 5.598 7.276 -13.781 1.00 74.05 H new ATOM 0 HA THR A 102 5.963 4.916 -15.534 1.00 3.31 H new ATOM 0 HB THR A 102 7.371 7.611 -15.615 1.00 35.24 H new ATOM 0 HG1 THR A 102 5.965 7.959 -17.487 1.00 5.34 H new ATOM 0 HG21 THR A 102 8.090 6.922 -17.893 1.00 30.53 H new ATOM 0 HG22 THR A 102 8.706 5.817 -16.642 1.00 30.53 H new ATOM 0 HG23 THR A 102 7.320 5.337 -17.649 1.00 30.53 H new ATOM 1535 N SER A 103 7.752 3.996 -14.000 1.00 52.04 N ATOM 1536 CA SER A 103 8.890 3.373 -13.292 1.00 11.22 C ATOM 1537 C SER A 103 10.235 3.692 -13.987 1.00 32.41 C ATOM 1538 O SER A 103 10.520 3.188 -15.074 1.00 40.55 O ATOM 1539 CB SER A 103 8.702 1.840 -13.188 1.00 74.42 C ATOM 1540 OG SER A 103 9.759 1.227 -12.460 1.00 14.14 O ATOM 0 H SER A 103 7.063 3.320 -14.331 1.00 52.04 H new ATOM 0 HA SER A 103 8.916 3.796 -12.288 1.00 11.22 H new ATOM 0 HB2 SER A 103 7.751 1.622 -12.701 1.00 74.42 H new ATOM 0 HB3 SER A 103 8.653 1.411 -14.189 1.00 74.42 H new ATOM 0 HG SER A 103 9.606 0.260 -12.413 1.00 14.14 H new ATOM 1546 N THR A 104 11.039 4.533 -13.325 1.00 13.43 N ATOM 1547 CA THR A 104 12.362 4.996 -13.808 1.00 2.12 C ATOM 1548 C THR A 104 13.390 3.843 -13.985 1.00 53.44 C ATOM 1549 O THR A 104 14.447 4.046 -14.593 1.00 4.12 O ATOM 1550 CB THR A 104 12.957 6.071 -12.833 1.00 25.35 C ATOM 1551 OG1 THR A 104 13.211 5.480 -11.544 1.00 15.31 O ATOM 1552 CG2 THR A 104 12.011 7.276 -12.643 1.00 72.13 C ATOM 0 H THR A 104 10.789 4.924 -12.417 1.00 13.43 H new ATOM 0 HA THR A 104 12.187 5.431 -14.792 1.00 2.12 H new ATOM 0 HB THR A 104 13.883 6.429 -13.283 1.00 25.35 H new ATOM 0 HG1 THR A 104 13.584 6.157 -10.941 1.00 15.31 H new ATOM 0 HG21 THR A 104 12.467 7.992 -11.960 1.00 72.13 H new ATOM 0 HG22 THR A 104 11.834 7.755 -13.606 1.00 72.13 H new ATOM 0 HG23 THR A 104 11.063 6.933 -12.229 1.00 72.13 H new ATOM 1560 N THR A 105 13.086 2.651 -13.419 1.00 15.34 N ATOM 1561 CA THR A 105 13.906 1.429 -13.587 1.00 63.00 C ATOM 1562 C THR A 105 14.054 1.013 -15.075 1.00 22.34 C ATOM 1563 O THR A 105 15.169 0.906 -15.591 1.00 64.32 O ATOM 1564 CB THR A 105 13.286 0.231 -12.783 1.00 22.32 C ATOM 1565 OG1 THR A 105 13.165 0.583 -11.397 1.00 33.35 O ATOM 1566 CG2 THR A 105 14.114 -1.064 -12.897 1.00 54.32 C ATOM 0 H THR A 105 12.264 2.510 -12.832 1.00 15.34 H new ATOM 0 HA THR A 105 14.897 1.668 -13.200 1.00 63.00 H new ATOM 0 HB THR A 105 12.307 0.037 -13.222 1.00 22.32 H new ATOM 0 HG1 THR A 105 14.018 0.942 -11.075 1.00 33.35 H new ATOM 0 HG21 THR A 105 13.634 -1.855 -12.320 1.00 54.32 H new ATOM 0 HG22 THR A 105 14.177 -1.365 -13.943 1.00 54.32 H new ATOM 0 HG23 THR A 105 15.118 -0.890 -12.509 1.00 54.32 H new ATOM 1574 N SER A 106 12.915 0.792 -15.749 1.00 41.34 N ATOM 1575 CA SER A 106 12.879 0.234 -17.136 1.00 24.02 C ATOM 1576 C SER A 106 12.070 1.116 -18.108 1.00 3.34 C ATOM 1577 O SER A 106 11.989 0.814 -19.304 1.00 50.53 O ATOM 1578 CB SER A 106 12.259 -1.180 -17.097 1.00 15.10 C ATOM 1579 OG SER A 106 10.933 -1.149 -16.587 1.00 43.30 O ATOM 0 H SER A 106 11.992 0.989 -15.363 1.00 41.34 H new ATOM 0 HA SER A 106 13.905 0.200 -17.503 1.00 24.02 H new ATOM 0 HB2 SER A 106 12.255 -1.605 -18.101 1.00 15.10 H new ATOM 0 HB3 SER A 106 12.874 -1.832 -16.477 1.00 15.10 H new ATOM 0 HG SER A 106 10.566 -2.057 -16.576 1.00 43.30 H new ATOM 1585 N GLY A 107 11.488 2.207 -17.591 1.00 22.31 N ATOM 1586 CA GLY A 107 10.530 3.027 -18.348 1.00 63.32 C ATOM 1587 C GLY A 107 9.104 2.457 -18.346 1.00 3.21 C ATOM 1588 O GLY A 107 8.247 2.931 -19.099 1.00 4.43 O ATOM 0 H GLY A 107 11.665 2.544 -16.645 1.00 22.31 H new ATOM 0 HA2 GLY A 107 10.512 4.032 -17.928 1.00 63.32 H new ATOM 0 HA3 GLY A 107 10.875 3.118 -19.378 1.00 63.32 H new ATOM 1592 N GLU A 108 8.864 1.427 -17.504 1.00 52.41 N ATOM 1593 CA GLU A 108 7.549 0.754 -17.351 1.00 14.20 C ATOM 1594 C GLU A 108 6.442 1.739 -16.902 1.00 22.44 C ATOM 1595 O GLU A 108 6.487 2.255 -15.788 1.00 42.35 O ATOM 1596 CB GLU A 108 7.697 -0.395 -16.301 1.00 61.02 C ATOM 1597 CG GLU A 108 6.393 -1.147 -15.932 1.00 65.31 C ATOM 1598 CD GLU A 108 6.588 -2.180 -14.801 1.00 10.14 C ATOM 1599 OE1 GLU A 108 6.665 -1.778 -13.614 1.00 30.33 O ATOM 1600 OE2 GLU A 108 6.682 -3.394 -15.090 1.00 32.04 O ATOM 0 H GLU A 108 9.587 1.032 -16.902 1.00 52.41 H new ATOM 0 HA GLU A 108 7.250 0.354 -18.320 1.00 14.20 H new ATOM 0 HB2 GLU A 108 8.416 -1.120 -16.683 1.00 61.02 H new ATOM 0 HB3 GLU A 108 8.122 0.025 -15.389 1.00 61.02 H new ATOM 0 HG2 GLU A 108 5.637 -0.423 -15.628 1.00 65.31 H new ATOM 0 HG3 GLU A 108 6.011 -1.655 -16.818 1.00 65.31 H new ATOM 1607 N LYS A 109 5.452 1.999 -17.773 1.00 0.13 N ATOM 1608 CA LYS A 109 4.288 2.832 -17.409 1.00 61.34 C ATOM 1609 C LYS A 109 3.184 1.927 -16.798 1.00 53.13 C ATOM 1610 O LYS A 109 2.761 0.926 -17.392 1.00 45.51 O ATOM 1611 CB LYS A 109 3.767 3.666 -18.617 1.00 4.21 C ATOM 1612 CG LYS A 109 3.266 2.864 -19.836 1.00 41.25 C ATOM 1613 CD LYS A 109 2.715 3.781 -20.958 1.00 73.54 C ATOM 1614 CE LYS A 109 2.067 2.995 -22.114 1.00 32.23 C ATOM 1615 NZ LYS A 109 0.838 2.262 -21.688 1.00 51.21 N ATOM 0 H LYS A 109 5.432 1.647 -18.730 1.00 0.13 H new ATOM 0 HA LYS A 109 4.595 3.561 -16.659 1.00 61.34 H new ATOM 0 HB2 LYS A 109 2.953 4.302 -18.268 1.00 4.21 H new ATOM 0 HB3 LYS A 109 4.569 4.326 -18.948 1.00 4.21 H new ATOM 0 HG2 LYS A 109 4.083 2.260 -20.232 1.00 41.25 H new ATOM 0 HG3 LYS A 109 2.485 2.174 -19.518 1.00 41.25 H new ATOM 0 HD2 LYS A 109 1.979 4.464 -20.533 1.00 73.54 H new ATOM 0 HD3 LYS A 109 3.527 4.392 -21.352 1.00 73.54 H new ATOM 0 HE2 LYS A 109 1.815 3.683 -22.921 1.00 32.23 H new ATOM 0 HE3 LYS A 109 2.789 2.284 -22.516 1.00 32.23 H new ATOM 0 HZ1 LYS A 109 0.365 1.862 -22.523 1.00 51.21 H new ATOM 0 HZ2 LYS A 109 1.100 1.494 -21.037 1.00 51.21 H new ATOM 0 HZ3 LYS A 109 0.192 2.919 -21.206 1.00 51.21 H new ATOM 1629 N VAL A 110 2.745 2.295 -15.595 1.00 14.34 N ATOM 1630 CA VAL A 110 1.845 1.483 -14.751 1.00 60.11 C ATOM 1631 C VAL A 110 0.549 2.263 -14.504 1.00 31.21 C ATOM 1632 O VAL A 110 0.604 3.444 -14.149 1.00 23.23 O ATOM 1633 CB VAL A 110 2.519 1.132 -13.368 1.00 33.20 C ATOM 1634 CG1 VAL A 110 1.605 0.241 -12.480 1.00 15.43 C ATOM 1635 CG2 VAL A 110 3.900 0.470 -13.585 1.00 74.23 C ATOM 0 H VAL A 110 3.005 3.182 -15.164 1.00 14.34 H new ATOM 0 HA VAL A 110 1.632 0.549 -15.271 1.00 60.11 H new ATOM 0 HB VAL A 110 2.666 2.069 -12.831 1.00 33.20 H new ATOM 0 HG11 VAL A 110 2.111 0.025 -11.539 1.00 15.43 H new ATOM 0 HG12 VAL A 110 0.671 0.765 -12.278 1.00 15.43 H new ATOM 0 HG13 VAL A 110 1.392 -0.693 -13.000 1.00 15.43 H new ATOM 0 HG21 VAL A 110 4.347 0.236 -12.619 1.00 74.23 H new ATOM 0 HG22 VAL A 110 3.777 -0.448 -14.160 1.00 74.23 H new ATOM 0 HG23 VAL A 110 4.550 1.155 -14.130 1.00 74.23 H new ATOM 1645 N LYS A 111 -0.609 1.612 -14.687 1.00 20.42 N ATOM 1646 CA LYS A 111 -1.917 2.258 -14.474 1.00 73.04 C ATOM 1647 C LYS A 111 -2.562 1.745 -13.165 1.00 11.14 C ATOM 1648 O LYS A 111 -2.560 0.541 -12.889 1.00 10.12 O ATOM 1649 CB LYS A 111 -2.838 2.080 -15.732 1.00 51.12 C ATOM 1650 CG LYS A 111 -3.207 0.620 -16.140 1.00 14.22 C ATOM 1651 CD LYS A 111 -4.515 0.087 -15.489 1.00 64.34 C ATOM 1652 CE LYS A 111 -5.764 0.888 -15.906 1.00 45.31 C ATOM 1653 NZ LYS A 111 -6.999 0.394 -15.235 1.00 41.13 N ATOM 0 H LYS A 111 -0.669 0.638 -14.982 1.00 20.42 H new ATOM 0 HA LYS A 111 -1.775 3.332 -14.353 1.00 73.04 H new ATOM 0 HB2 LYS A 111 -3.764 2.626 -15.553 1.00 51.12 H new ATOM 0 HB3 LYS A 111 -2.347 2.555 -16.581 1.00 51.12 H new ATOM 0 HG2 LYS A 111 -3.309 0.572 -17.224 1.00 14.22 H new ATOM 0 HG3 LYS A 111 -2.384 -0.040 -15.868 1.00 14.22 H new ATOM 0 HD2 LYS A 111 -4.652 -0.959 -15.765 1.00 64.34 H new ATOM 0 HD3 LYS A 111 -4.414 0.120 -14.404 1.00 64.34 H new ATOM 0 HE2 LYS A 111 -5.617 1.940 -15.663 1.00 45.31 H new ATOM 0 HE3 LYS A 111 -5.890 0.825 -16.987 1.00 45.31 H new ATOM 0 HZ1 LYS A 111 -7.809 0.496 -15.880 1.00 41.13 H new ATOM 0 HZ2 LYS A 111 -6.880 -0.608 -14.984 1.00 41.13 H new ATOM 0 HZ3 LYS A 111 -7.171 0.949 -14.372 1.00 41.13 H new ATOM 1667 N ASN A 112 -3.070 2.695 -12.364 1.00 13.22 N ATOM 1668 CA ASN A 112 -3.801 2.442 -11.101 1.00 53.22 C ATOM 1669 C ASN A 112 -3.007 1.574 -10.075 1.00 33.22 C ATOM 1670 O ASN A 112 -3.481 0.521 -9.620 1.00 73.51 O ATOM 1671 CB ASN A 112 -5.209 1.848 -11.408 1.00 14.40 C ATOM 1672 CG ASN A 112 -6.063 2.732 -12.334 1.00 72.11 C ATOM 1673 OD1 ASN A 112 -6.885 2.232 -13.096 1.00 15.51 O ATOM 1674 ND2 ASN A 112 -5.916 4.044 -12.265 1.00 44.21 N ATOM 0 H ASN A 112 -2.984 3.689 -12.578 1.00 13.22 H new ATOM 0 HA ASN A 112 -3.925 3.406 -10.607 1.00 53.22 H new ATOM 0 HB2 ASN A 112 -5.088 0.867 -11.867 1.00 14.40 H new ATOM 0 HB3 ASN A 112 -5.743 1.697 -10.470 1.00 14.40 H new ATOM 0 HD21 ASN A 112 -6.489 4.653 -12.849 1.00 44.21 H new ATOM 0 HD22 ASN A 112 -5.229 4.447 -11.628 1.00 44.21 H new ATOM 1681 N HIS A 113 -1.785 2.027 -9.748 1.00 42.24 N ATOM 1682 CA HIS A 113 -0.972 1.460 -8.645 1.00 11.13 C ATOM 1683 C HIS A 113 -1.654 1.668 -7.268 1.00 44.41 C ATOM 1684 O HIS A 113 -2.243 2.725 -7.002 1.00 24.34 O ATOM 1685 CB HIS A 113 0.450 2.087 -8.628 1.00 34.24 C ATOM 1686 CG HIS A 113 1.255 1.740 -7.393 1.00 21.15 C ATOM 1687 ND1 HIS A 113 1.721 0.466 -7.184 1.00 4.45 N ATOM 1688 CD2 HIS A 113 1.530 2.492 -6.295 1.00 23.13 C ATOM 1689 CE1 HIS A 113 2.254 0.465 -5.979 1.00 61.33 C ATOM 1690 NE2 HIS A 113 2.159 1.672 -5.397 1.00 35.20 N ATOM 0 H HIS A 113 -1.328 2.796 -10.237 1.00 42.24 H new ATOM 0 HA HIS A 113 -0.887 0.388 -8.826 1.00 11.13 H new ATOM 0 HB2 HIS A 113 0.995 1.754 -9.511 1.00 34.24 H new ATOM 0 HB3 HIS A 113 0.360 3.171 -8.699 1.00 34.24 H new ATOM 0 HD2 HIS A 113 1.297 3.537 -6.157 1.00 23.13 H new ATOM 0 HE1 HIS A 113 2.710 -0.398 -5.517 1.00 61.33 H new ATOM 0 HE2 HIS A 113 2.491 1.928 -4.467 1.00 35.20 H new ATOM 1698 N LYS A 114 -1.536 0.646 -6.393 1.00 40.02 N ATOM 1699 CA LYS A 114 -2.108 0.662 -5.029 1.00 54.04 C ATOM 1700 C LYS A 114 -1.099 0.069 -3.989 1.00 44.51 C ATOM 1701 O LYS A 114 -0.586 -1.029 -4.194 1.00 72.24 O ATOM 1702 CB LYS A 114 -3.435 -0.149 -5.012 1.00 22.41 C ATOM 1703 CG LYS A 114 -4.558 0.439 -5.897 1.00 62.53 C ATOM 1704 CD LYS A 114 -5.805 -0.460 -5.950 1.00 21.41 C ATOM 1705 CE LYS A 114 -6.907 0.105 -6.856 1.00 54.32 C ATOM 1706 NZ LYS A 114 -8.066 -0.818 -6.952 1.00 72.23 N ATOM 0 H LYS A 114 -1.039 -0.217 -6.614 1.00 40.02 H new ATOM 0 HA LYS A 114 -2.310 1.696 -4.749 1.00 54.04 H new ATOM 0 HB2 LYS A 114 -3.228 -1.168 -5.340 1.00 22.41 H new ATOM 0 HB3 LYS A 114 -3.795 -0.212 -3.985 1.00 22.41 H new ATOM 0 HG2 LYS A 114 -4.839 1.421 -5.516 1.00 62.53 H new ATOM 0 HG3 LYS A 114 -4.178 0.587 -6.908 1.00 62.53 H new ATOM 0 HD2 LYS A 114 -5.519 -1.449 -6.307 1.00 21.41 H new ATOM 0 HD3 LYS A 114 -6.199 -0.587 -4.942 1.00 21.41 H new ATOM 0 HE2 LYS A 114 -7.240 1.068 -6.467 1.00 54.32 H new ATOM 0 HE3 LYS A 114 -6.502 0.286 -7.852 1.00 54.32 H new ATOM 0 HZ1 LYS A 114 -8.790 -0.403 -7.572 1.00 72.23 H new ATOM 0 HZ2 LYS A 114 -7.753 -1.728 -7.346 1.00 72.23 H new ATOM 0 HZ3 LYS A 114 -8.468 -0.971 -6.005 1.00 72.23 H new ATOM 1720 N TRP A 115 -0.778 0.775 -2.876 1.00 53.34 N ATOM 1721 CA TRP A 115 -1.097 2.213 -2.648 1.00 70.13 C ATOM 1722 C TRP A 115 0.172 3.065 -2.419 1.00 12.43 C ATOM 1723 O TRP A 115 1.273 2.551 -2.191 1.00 22.32 O ATOM 1724 CB TRP A 115 -2.038 2.385 -1.417 1.00 14.44 C ATOM 1725 CG TRP A 115 -3.357 1.660 -1.531 1.00 22.13 C ATOM 1726 CD1 TRP A 115 -3.665 0.430 -1.035 1.00 33.11 C ATOM 1727 CD2 TRP A 115 -4.543 2.127 -2.190 1.00 11.22 C ATOM 1728 NE1 TRP A 115 -4.955 0.102 -1.350 1.00 44.21 N ATOM 1729 CE2 TRP A 115 -5.515 1.122 -2.061 1.00 71.54 C ATOM 1730 CE3 TRP A 115 -4.866 3.291 -2.887 1.00 22.54 C ATOM 1731 CZ2 TRP A 115 -6.794 1.248 -2.592 1.00 3.24 C ATOM 1732 CZ3 TRP A 115 -6.136 3.420 -3.415 1.00 62.55 C ATOM 1733 CH2 TRP A 115 -7.085 2.400 -3.270 1.00 33.52 C ATOM 0 H TRP A 115 -0.279 0.354 -2.093 1.00 53.34 H new ATOM 0 HA TRP A 115 -1.594 2.563 -3.553 1.00 70.13 H new ATOM 0 HB2 TRP A 115 -1.519 2.031 -0.527 1.00 14.44 H new ATOM 0 HB3 TRP A 115 -2.233 3.447 -1.271 1.00 14.44 H new ATOM 0 HD1 TRP A 115 -2.988 -0.197 -0.473 1.00 33.11 H new ATOM 0 HE1 TRP A 115 -5.423 -0.767 -1.094 1.00 44.21 H new ATOM 0 HE3 TRP A 115 -4.136 4.077 -3.012 1.00 22.54 H new ATOM 0 HZ2 TRP A 115 -7.530 0.466 -2.474 1.00 3.24 H new ATOM 0 HZ3 TRP A 115 -6.401 4.321 -3.948 1.00 62.55 H new ATOM 0 HH2 TRP A 115 -8.067 2.526 -3.702 1.00 33.52 H new ATOM 1744 N VAL A 116 -0.037 4.378 -2.517 1.00 14.45 N ATOM 1745 CA VAL A 116 0.868 5.426 -1.996 1.00 31.14 C ATOM 1746 C VAL A 116 0.047 6.326 -1.044 1.00 54.24 C ATOM 1747 O VAL A 116 -1.176 6.204 -0.998 1.00 44.50 O ATOM 1748 CB VAL A 116 1.510 6.296 -3.143 1.00 33.30 C ATOM 1749 CG1 VAL A 116 2.494 5.466 -4.010 1.00 32.44 C ATOM 1750 CG2 VAL A 116 0.411 6.952 -4.013 1.00 25.01 C ATOM 0 H VAL A 116 -0.864 4.763 -2.974 1.00 14.45 H new ATOM 0 HA VAL A 116 1.696 4.947 -1.474 1.00 31.14 H new ATOM 0 HB VAL A 116 2.089 7.090 -2.672 1.00 33.30 H new ATOM 0 HG11 VAL A 116 2.916 6.100 -4.790 1.00 32.44 H new ATOM 0 HG12 VAL A 116 3.297 5.081 -3.381 1.00 32.44 H new ATOM 0 HG13 VAL A 116 1.961 4.633 -4.469 1.00 32.44 H new ATOM 0 HG21 VAL A 116 0.876 7.548 -4.798 1.00 25.01 H new ATOM 0 HG22 VAL A 116 -0.207 6.176 -4.464 1.00 25.01 H new ATOM 0 HG23 VAL A 116 -0.211 7.595 -3.390 1.00 25.01 H new ATOM 1760 N THR A 117 0.693 7.200 -0.267 1.00 12.10 N ATOM 1761 CA THR A 117 -0.027 8.163 0.620 1.00 2.34 C ATOM 1762 C THR A 117 0.248 9.618 0.240 1.00 33.34 C ATOM 1763 O THR A 117 1.126 9.905 -0.572 1.00 64.22 O ATOM 1764 CB THR A 117 0.325 7.960 2.134 1.00 44.32 C ATOM 1765 OG1 THR A 117 1.746 8.000 2.329 1.00 33.54 O ATOM 1766 CG2 THR A 117 -0.236 6.642 2.655 1.00 14.13 C ATOM 0 H THR A 117 1.709 7.273 -0.223 1.00 12.10 H new ATOM 0 HA THR A 117 -1.086 7.951 0.472 1.00 2.34 H new ATOM 0 HB THR A 117 -0.133 8.774 2.696 1.00 44.32 H new ATOM 0 HG1 THR A 117 1.949 7.874 3.279 1.00 33.54 H new ATOM 0 HG21 THR A 117 0.023 6.527 3.708 1.00 14.13 H new ATOM 0 HG22 THR A 117 -1.321 6.640 2.546 1.00 14.13 H new ATOM 0 HG23 THR A 117 0.188 5.815 2.085 1.00 14.13 H new ATOM 1774 N GLU A 118 -0.532 10.530 0.857 1.00 55.13 N ATOM 1775 CA GLU A 118 -0.328 11.998 0.767 1.00 54.32 C ATOM 1776 C GLU A 118 1.124 12.389 1.148 1.00 23.52 C ATOM 1777 O GLU A 118 1.752 13.236 0.504 1.00 1.24 O ATOM 1778 CB GLU A 118 -1.335 12.711 1.717 1.00 54.23 C ATOM 1779 CG GLU A 118 -1.314 14.257 1.679 1.00 75.54 C ATOM 1780 CD GLU A 118 -1.805 14.843 0.342 1.00 35.32 C ATOM 1781 OE1 GLU A 118 -3.029 15.029 0.185 1.00 35.21 O ATOM 1782 OE2 GLU A 118 -0.974 15.115 -0.557 1.00 45.43 O ATOM 0 H GLU A 118 -1.329 10.270 1.438 1.00 55.13 H new ATOM 0 HA GLU A 118 -0.499 12.311 -0.263 1.00 54.32 H new ATOM 0 HB2 GLU A 118 -2.341 12.374 1.469 1.00 54.23 H new ATOM 0 HB3 GLU A 118 -1.133 12.388 2.738 1.00 54.23 H new ATOM 0 HG2 GLU A 118 -1.937 14.641 2.486 1.00 75.54 H new ATOM 0 HG3 GLU A 118 -0.298 14.604 1.868 1.00 75.54 H new ATOM 1789 N ASP A 119 1.633 11.720 2.199 1.00 44.23 N ATOM 1790 CA ASP A 119 3.006 11.904 2.722 1.00 51.01 C ATOM 1791 C ASP A 119 4.079 11.491 1.680 1.00 31.41 C ATOM 1792 O ASP A 119 5.186 12.042 1.650 1.00 40.51 O ATOM 1793 CB ASP A 119 3.172 11.064 4.013 1.00 31.43 C ATOM 1794 CG ASP A 119 2.057 11.334 5.033 1.00 21.52 C ATOM 1795 OD1 ASP A 119 0.989 10.681 4.954 1.00 53.12 O ATOM 1796 OD2 ASP A 119 2.229 12.215 5.907 1.00 13.23 O ATOM 0 H ASP A 119 1.097 11.025 2.719 1.00 44.23 H new ATOM 0 HA ASP A 119 3.152 12.962 2.939 1.00 51.01 H new ATOM 0 HB2 ASP A 119 3.177 10.005 3.756 1.00 31.43 H new ATOM 0 HB3 ASP A 119 4.138 11.287 4.467 1.00 31.43 H new ATOM 1801 N GLU A 120 3.721 10.527 0.814 1.00 2.43 N ATOM 1802 CA GLU A 120 4.623 9.969 -0.220 1.00 33.14 C ATOM 1803 C GLU A 120 4.460 10.684 -1.580 1.00 12.04 C ATOM 1804 O GLU A 120 5.155 10.350 -2.545 1.00 53.40 O ATOM 1805 CB GLU A 120 4.345 8.461 -0.392 1.00 24.03 C ATOM 1806 CG GLU A 120 4.655 7.597 0.847 1.00 33.31 C ATOM 1807 CD GLU A 120 4.443 6.102 0.581 1.00 55.13 C ATOM 1808 OE1 GLU A 120 3.317 5.739 0.199 1.00 63.44 O ATOM 1809 OE2 GLU A 120 5.385 5.291 0.749 1.00 35.44 O ATOM 0 H GLU A 120 2.791 10.107 0.808 1.00 2.43 H new ATOM 0 HA GLU A 120 5.648 10.127 0.116 1.00 33.14 H new ATOM 0 HB2 GLU A 120 3.296 8.328 -0.656 1.00 24.03 H new ATOM 0 HB3 GLU A 120 4.934 8.091 -1.231 1.00 24.03 H new ATOM 0 HG2 GLU A 120 5.686 7.766 1.156 1.00 33.31 H new ATOM 0 HG3 GLU A 120 4.018 7.911 1.674 1.00 33.31 H new ATOM 1816 N LEU A 121 3.560 11.681 -1.642 1.00 63.10 N ATOM 1817 CA LEU A 121 3.268 12.451 -2.871 1.00 61.41 C ATOM 1818 C LEU A 121 3.618 13.936 -2.665 1.00 54.11 C ATOM 1819 O LEU A 121 3.605 14.445 -1.537 1.00 34.31 O ATOM 1820 CB LEU A 121 1.769 12.315 -3.270 1.00 21.31 C ATOM 1821 CG LEU A 121 1.279 10.874 -3.612 1.00 41.35 C ATOM 1822 CD1 LEU A 121 -0.200 10.879 -4.032 1.00 41.05 C ATOM 1823 CD2 LEU A 121 2.163 10.220 -4.695 1.00 62.41 C ATOM 0 H LEU A 121 3.009 11.980 -0.837 1.00 63.10 H new ATOM 0 HA LEU A 121 3.880 12.045 -3.677 1.00 61.41 H new ATOM 0 HB2 LEU A 121 1.160 12.700 -2.452 1.00 21.31 H new ATOM 0 HB3 LEU A 121 1.584 12.954 -4.133 1.00 21.31 H new ATOM 0 HG LEU A 121 1.369 10.272 -2.708 1.00 41.35 H new ATOM 0 HD11 LEU A 121 -0.516 9.862 -4.265 1.00 41.05 H new ATOM 0 HD12 LEU A 121 -0.808 11.270 -3.217 1.00 41.05 H new ATOM 0 HD13 LEU A 121 -0.326 11.509 -4.913 1.00 41.05 H new ATOM 0 HD21 LEU A 121 1.794 9.217 -4.909 1.00 62.41 H new ATOM 0 HD22 LEU A 121 2.129 10.821 -5.604 1.00 62.41 H new ATOM 0 HD23 LEU A 121 3.191 10.159 -4.338 1.00 62.41 H new ATOM 1835 N SER A 122 3.948 14.611 -3.767 1.00 60.43 N ATOM 1836 CA SER A 122 4.185 16.064 -3.805 1.00 35.04 C ATOM 1837 C SER A 122 3.720 16.588 -5.173 1.00 73.30 C ATOM 1838 O SER A 122 4.205 16.095 -6.195 1.00 14.44 O ATOM 1839 CB SER A 122 5.689 16.371 -3.594 1.00 22.53 C ATOM 1840 OG SER A 122 6.169 15.866 -2.358 1.00 42.35 O ATOM 0 H SER A 122 4.061 14.161 -4.675 1.00 60.43 H new ATOM 0 HA SER A 122 3.629 16.555 -3.006 1.00 35.04 H new ATOM 0 HB2 SER A 122 6.265 15.936 -4.411 1.00 22.53 H new ATOM 0 HB3 SER A 122 5.847 17.449 -3.631 1.00 22.53 H new ATOM 0 HG SER A 122 7.121 16.079 -2.265 1.00 42.35 H new ATOM 1846 N ALA A 123 2.783 17.568 -5.201 1.00 2.02 N ATOM 1847 CA ALA A 123 2.207 18.081 -6.474 1.00 75.52 C ATOM 1848 C ALA A 123 3.311 18.669 -7.384 1.00 3.10 C ATOM 1849 O ALA A 123 3.785 19.787 -7.153 1.00 44.03 O ATOM 1850 CB ALA A 123 1.111 19.126 -6.189 1.00 10.32 C ATOM 0 H ALA A 123 2.411 18.018 -4.364 1.00 2.02 H new ATOM 0 HA ALA A 123 1.751 17.245 -7.004 1.00 75.52 H new ATOM 0 HB1 ALA A 123 0.701 19.490 -7.131 1.00 10.32 H new ATOM 0 HB2 ALA A 123 0.316 18.668 -5.600 1.00 10.32 H new ATOM 0 HB3 ALA A 123 1.539 19.960 -5.633 1.00 10.32 H new ATOM 1856 N LYS A 124 3.651 17.904 -8.447 1.00 54.31 N ATOM 1857 CA LYS A 124 4.842 18.122 -9.307 1.00 2.55 C ATOM 1858 C LYS A 124 6.078 18.685 -8.522 1.00 65.35 C ATOM 1859 O LYS A 124 6.369 19.889 -8.554 1.00 63.33 O ATOM 1860 CB LYS A 124 4.465 18.986 -10.547 1.00 60.12 C ATOM 1861 CG LYS A 124 5.596 19.205 -11.582 1.00 20.53 C ATOM 1862 CD LYS A 124 6.124 17.889 -12.197 1.00 23.42 C ATOM 1863 CE LYS A 124 7.236 18.142 -13.231 1.00 42.14 C ATOM 1864 NZ LYS A 124 7.712 16.893 -13.874 1.00 75.35 N ATOM 0 H LYS A 124 3.095 17.100 -8.739 1.00 54.31 H new ATOM 0 HA LYS A 124 5.168 17.146 -9.668 1.00 2.55 H new ATOM 0 HB2 LYS A 124 3.622 18.515 -11.052 1.00 60.12 H new ATOM 0 HB3 LYS A 124 4.124 19.960 -10.198 1.00 60.12 H new ATOM 0 HG2 LYS A 124 5.229 19.850 -12.381 1.00 20.53 H new ATOM 0 HG3 LYS A 124 6.422 19.731 -11.102 1.00 20.53 H new ATOM 0 HD2 LYS A 124 6.506 17.246 -11.404 1.00 23.42 H new ATOM 0 HD3 LYS A 124 5.301 17.355 -12.673 1.00 23.42 H new ATOM 0 HE2 LYS A 124 6.866 18.823 -13.998 1.00 42.14 H new ATOM 0 HE3 LYS A 124 8.075 18.638 -12.743 1.00 42.14 H new ATOM 0 HZ1 LYS A 124 8.036 17.102 -14.840 1.00 75.35 H new ATOM 0 HZ2 LYS A 124 8.500 16.497 -13.322 1.00 75.35 H new ATOM 0 HZ3 LYS A 124 6.934 16.203 -13.911 1.00 75.35 H new ATOM 1878 N LEU A 125 6.721 17.804 -7.736 1.00 51.02 N ATOM 1879 CA LEU A 125 7.992 18.112 -7.033 1.00 15.13 C ATOM 1880 C LEU A 125 9.138 18.315 -8.063 1.00 50.12 C ATOM 1881 O LEU A 125 9.390 17.427 -8.891 1.00 24.42 O ATOM 1882 CB LEU A 125 8.353 16.946 -6.062 1.00 12.21 C ATOM 1883 CG LEU A 125 9.553 17.179 -5.090 1.00 2.13 C ATOM 1884 CD1 LEU A 125 9.218 18.259 -4.036 1.00 13.15 C ATOM 1885 CD2 LEU A 125 9.996 15.851 -4.419 1.00 42.23 C ATOM 0 H LEU A 125 6.380 16.858 -7.566 1.00 51.02 H new ATOM 0 HA LEU A 125 7.866 19.031 -6.460 1.00 15.13 H new ATOM 0 HB2 LEU A 125 7.471 16.718 -5.463 1.00 12.21 H new ATOM 0 HB3 LEU A 125 8.569 16.061 -6.661 1.00 12.21 H new ATOM 0 HG LEU A 125 10.393 17.546 -5.680 1.00 2.13 H new ATOM 0 HD11 LEU A 125 10.073 18.399 -3.374 1.00 13.15 H new ATOM 0 HD12 LEU A 125 8.990 19.199 -4.538 1.00 13.15 H new ATOM 0 HD13 LEU A 125 8.354 17.942 -3.452 1.00 13.15 H new ATOM 0 HD21 LEU A 125 10.833 16.044 -3.748 1.00 42.23 H new ATOM 0 HD22 LEU A 125 9.164 15.435 -3.851 1.00 42.23 H new ATOM 0 HD23 LEU A 125 10.303 15.140 -5.186 1.00 42.23 H new ATOM 1897 N GLU A 126 9.805 19.485 -8.023 1.00 64.35 N ATOM 1898 CA GLU A 126 10.908 19.806 -8.962 1.00 62.12 C ATOM 1899 C GLU A 126 12.083 18.787 -8.835 1.00 1.50 C ATOM 1900 O GLU A 126 12.622 18.566 -7.740 1.00 65.12 O ATOM 1901 CB GLU A 126 11.410 21.281 -8.815 1.00 23.42 C ATOM 1902 CG GLU A 126 11.929 21.714 -7.415 1.00 25.35 C ATOM 1903 CD GLU A 126 10.821 21.965 -6.379 1.00 54.24 C ATOM 1904 OE1 GLU A 126 10.217 23.061 -6.397 1.00 53.24 O ATOM 1905 OE2 GLU A 126 10.519 21.063 -5.575 1.00 60.03 O ATOM 0 H GLU A 126 9.602 20.226 -7.352 1.00 64.35 H new ATOM 0 HA GLU A 126 10.497 19.715 -9.967 1.00 62.12 H new ATOM 0 HB2 GLU A 126 12.211 21.440 -9.537 1.00 23.42 H new ATOM 0 HB3 GLU A 126 10.593 21.946 -9.094 1.00 23.42 H new ATOM 0 HG2 GLU A 126 12.598 20.943 -7.034 1.00 25.35 H new ATOM 0 HG3 GLU A 126 12.520 22.623 -7.525 1.00 25.35 H new ATOM 1912 N HIS A 127 12.424 18.152 -9.981 1.00 72.21 N ATOM 1913 CA HIS A 127 13.399 17.033 -10.073 1.00 11.55 C ATOM 1914 C HIS A 127 14.778 17.367 -9.438 1.00 12.24 C ATOM 1915 O HIS A 127 15.417 18.357 -9.804 1.00 40.31 O ATOM 1916 CB HIS A 127 13.564 16.611 -11.565 1.00 31.44 C ATOM 1917 CG HIS A 127 13.972 17.732 -12.501 1.00 61.42 C ATOM 1918 ND1 HIS A 127 13.063 18.583 -13.088 1.00 30.52 N ATOM 1919 CD2 HIS A 127 15.193 18.142 -12.938 1.00 3.24 C ATOM 1920 CE1 HIS A 127 13.697 19.463 -13.836 1.00 22.54 C ATOM 1921 NE2 HIS A 127 14.989 19.217 -13.763 1.00 65.12 N ATOM 0 H HIS A 127 12.024 18.405 -10.884 1.00 72.21 H new ATOM 0 HA HIS A 127 12.997 16.202 -9.493 1.00 11.55 H new ATOM 0 HB2 HIS A 127 14.310 15.818 -11.623 1.00 31.44 H new ATOM 0 HB3 HIS A 127 12.622 16.189 -11.915 1.00 31.44 H new ATOM 0 HD2 HIS A 127 16.146 17.702 -12.682 1.00 3.24 H new ATOM 0 HE1 HIS A 127 13.236 20.252 -14.411 1.00 22.54 H new ATOM 0 HE2 HIS A 127 15.720 19.742 -14.243 1.00 65.12 H new ATOM 1930 N HIS A 128 15.218 16.536 -8.468 1.00 53.23 N ATOM 1931 CA HIS A 128 16.535 16.699 -7.816 1.00 52.43 C ATOM 1932 C HIS A 128 17.043 15.350 -7.249 1.00 64.31 C ATOM 1933 O HIS A 128 16.369 14.718 -6.425 1.00 41.05 O ATOM 1934 CB HIS A 128 16.466 17.783 -6.703 1.00 4.21 C ATOM 1935 CG HIS A 128 17.817 18.271 -6.237 1.00 61.21 C ATOM 1936 ND1 HIS A 128 18.217 18.260 -4.921 1.00 50.50 N ATOM 1937 CD2 HIS A 128 18.857 18.799 -6.933 1.00 24.21 C ATOM 1938 CE1 HIS A 128 19.434 18.749 -4.826 1.00 11.21 C ATOM 1939 NE2 HIS A 128 19.846 19.084 -6.029 1.00 33.04 N ATOM 0 H HIS A 128 14.678 15.744 -8.119 1.00 53.23 H new ATOM 0 HA HIS A 128 17.249 17.033 -8.569 1.00 52.43 H new ATOM 0 HB2 HIS A 128 15.892 18.633 -7.073 1.00 4.21 H new ATOM 0 HB3 HIS A 128 15.923 17.378 -5.849 1.00 4.21 H new ATOM 0 HD2 HIS A 128 18.897 18.963 -8.000 1.00 24.21 H new ATOM 0 HE1 HIS A 128 20.000 18.857 -3.913 1.00 11.21 H new ATOM 0 HE2 HIS A 128 20.755 19.490 -6.253 1.00 33.04 H new ATOM 1948 N HIS A 129 18.238 14.932 -7.703 1.00 33.33 N ATOM 1949 CA HIS A 129 18.877 13.653 -7.302 1.00 43.41 C ATOM 1950 C HIS A 129 20.418 13.815 -7.201 1.00 14.21 C ATOM 1951 O HIS A 129 20.960 14.884 -7.501 1.00 73.41 O ATOM 1952 CB HIS A 129 18.499 12.533 -8.313 1.00 64.02 C ATOM 1953 CG HIS A 129 18.882 12.838 -9.743 1.00 54.52 C ATOM 1954 ND1 HIS A 129 20.095 12.479 -10.293 1.00 10.23 N ATOM 1955 CD2 HIS A 129 18.218 13.502 -10.721 1.00 4.33 C ATOM 1956 CE1 HIS A 129 20.162 12.915 -11.533 1.00 51.12 C ATOM 1957 NE2 HIS A 129 19.038 13.536 -11.820 1.00 53.32 N ATOM 0 H HIS A 129 18.797 15.472 -8.364 1.00 33.33 H new ATOM 0 HA HIS A 129 18.509 13.370 -6.316 1.00 43.41 H new ATOM 0 HB2 HIS A 129 18.983 11.605 -8.009 1.00 64.02 H new ATOM 0 HB3 HIS A 129 17.424 12.362 -8.265 1.00 64.02 H new ATOM 0 HD2 HIS A 129 17.227 13.926 -10.648 1.00 4.33 H new ATOM 0 HE1 HIS A 129 20.999 12.785 -12.203 1.00 51.12 H new ATOM 0 HE2 HIS A 129 18.813 13.972 -12.714 1.00 53.32 H new ATOM 1966 N HIS A 130 21.112 12.734 -6.784 1.00 14.31 N ATOM 1967 CA HIS A 130 22.581 12.746 -6.536 1.00 10.12 C ATOM 1968 C HIS A 130 23.196 11.328 -6.571 1.00 61.22 C ATOM 1969 O HIS A 130 22.476 10.324 -6.582 1.00 3.11 O ATOM 1970 CB HIS A 130 22.896 13.448 -5.182 1.00 74.41 C ATOM 1971 CG HIS A 130 22.003 13.045 -4.035 1.00 63.50 C ATOM 1972 ND1 HIS A 130 20.993 13.855 -3.560 1.00 42.41 N ATOM 1973 CD2 HIS A 130 21.966 11.925 -3.269 1.00 73.43 C ATOM 1974 CE1 HIS A 130 20.379 13.260 -2.566 1.00 51.43 C ATOM 1975 NE2 HIS A 130 20.945 12.091 -2.368 1.00 54.24 N ATOM 0 H HIS A 130 20.677 11.828 -6.609 1.00 14.31 H new ATOM 0 HA HIS A 130 23.041 13.311 -7.347 1.00 10.12 H new ATOM 0 HB2 HIS A 130 23.930 13.235 -4.911 1.00 74.41 H new ATOM 0 HB3 HIS A 130 22.819 14.526 -5.322 1.00 74.41 H new ATOM 0 HD2 HIS A 130 22.616 11.067 -3.353 1.00 73.43 H new ATOM 0 HE1 HIS A 130 19.549 13.663 -2.005 1.00 51.43 H new ATOM 0 HE2 HIS A 130 20.669 11.414 -1.657 1.00 54.24 H new ATOM 1984 N HIS A 131 24.548 11.276 -6.562 1.00 23.43 N ATOM 1985 CA HIS A 131 25.323 10.011 -6.627 1.00 30.34 C ATOM 1986 C HIS A 131 25.112 9.138 -5.359 1.00 1.43 C ATOM 1987 O HIS A 131 25.737 9.365 -4.314 1.00 50.10 O ATOM 1988 CB HIS A 131 26.832 10.306 -6.853 1.00 14.40 C ATOM 1989 CG HIS A 131 27.121 11.041 -8.140 1.00 14.44 C ATOM 1990 ND1 HIS A 131 27.036 10.446 -9.381 1.00 13.55 N ATOM 1991 CD2 HIS A 131 27.474 12.328 -8.376 1.00 0.41 C ATOM 1992 CE1 HIS A 131 27.318 11.328 -10.317 1.00 50.05 C ATOM 1993 NE2 HIS A 131 27.588 12.476 -9.735 1.00 63.24 N ATOM 0 H HIS A 131 25.134 12.109 -6.510 1.00 23.43 H new ATOM 0 HA HIS A 131 24.950 9.440 -7.477 1.00 30.34 H new ATOM 0 HB2 HIS A 131 27.207 10.895 -6.016 1.00 14.40 H new ATOM 0 HB3 HIS A 131 27.381 9.365 -6.851 1.00 14.40 H new ATOM 0 HD2 HIS A 131 27.636 13.094 -7.632 1.00 0.41 H new ATOM 0 HE1 HIS A 131 27.326 11.141 -11.381 1.00 50.05 H new ATOM 0 HE2 HIS A 131 27.842 13.338 -10.217 1.00 63.24 H new ATOM 2002 N HIS A 132 24.199 8.159 -5.480 1.00 25.40 N ATOM 2003 CA HIS A 132 23.791 7.249 -4.387 1.00 75.22 C ATOM 2004 C HIS A 132 23.244 5.910 -4.981 1.00 14.32 C ATOM 2005 O HIS A 132 22.124 5.906 -5.549 1.00 37.36 O ATOM 2006 CB HIS A 132 22.735 7.955 -3.480 1.00 51.12 C ATOM 2007 CG HIS A 132 22.233 7.120 -2.327 1.00 72.03 C ATOM 2008 ND1 HIS A 132 22.967 6.885 -1.184 1.00 71.31 N ATOM 2009 CD2 HIS A 132 21.065 6.455 -2.156 1.00 53.33 C ATOM 2010 CE1 HIS A 132 22.276 6.114 -0.369 1.00 64.02 C ATOM 2011 NE2 HIS A 132 21.123 5.841 -0.935 1.00 61.23 N ATOM 2012 OXT HIS A 132 23.933 4.870 -4.878 1.00 37.36 O ATOM 0 H HIS A 132 23.712 7.971 -6.356 1.00 25.40 H new ATOM 0 HA HIS A 132 24.655 7.006 -3.768 1.00 75.22 H new ATOM 0 HB2 HIS A 132 23.172 8.872 -3.084 1.00 51.12 H new ATOM 0 HB3 HIS A 132 21.885 8.247 -4.096 1.00 51.12 H new ATOM 0 HD2 HIS A 132 20.242 6.417 -2.854 1.00 53.33 H new ATOM 0 HE1 HIS A 132 22.602 5.766 0.600 1.00 64.02 H new ATOM 0 HE2 HIS A 132 20.387 5.263 -0.529 1.00 61.23 H new TER 2021 HIS A 132