USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 833 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 41 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.2) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 24 HIS : no HD1:sc= -0.062 K(o=-0.062,f=-0.73) USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 6 SER OG : rot 88:sc= 0.728 USER MOD Set 4.2: A 7 ASN : amide:sc= 0.42 K(o=1.1,f=-0.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 0.346 (180deg=0.11) USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= -0.335 (180deg=-2.06!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0955 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.21) USER MOD Single : A 22 SER OG : rot 30:sc= 0.273 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= -0.235 (180deg=-1.05) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.9) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00648 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.19) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0947) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.058) USER MOD Single : A 59 CYS SG : rot 30:sc= 0.0944 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -64:sc= 0.102 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0446 F(o=-0.66,f=-0.045) USER MOD Single : A 85 ASN : amide:sc= -0.0829 X(o=-0.083,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= -0.0623 (180deg=-0.398) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.4!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.860 -6.242 0.023 1.00 42.43 N ATOM 2 CA MET A 1 -3.268 -5.863 0.048 1.00 40.20 C ATOM 3 C MET A 1 -3.487 -4.535 -0.670 1.00 21.12 C ATOM 4 O MET A 1 -3.635 -3.493 -0.032 1.00 50.13 O ATOM 5 CB MET A 1 -3.765 -5.763 1.491 1.00 13.14 C ATOM 6 CG MET A 1 -3.953 -7.113 2.164 1.00 62.53 C ATOM 7 SD MET A 1 -4.599 -6.971 3.841 1.00 70.02 S ATOM 8 CE MET A 1 -6.043 -8.026 3.739 1.00 61.15 C ATOM 0 H1 MET A 1 -1.736 -7.148 0.517 1.00 42.43 H new ATOM 0 H2 MET A 1 -1.544 -6.339 -0.963 1.00 42.43 H new ATOM 0 H3 MET A 1 -1.295 -5.509 0.497 1.00 42.43 H new ATOM 0 HA MET A 1 -3.835 -6.635 -0.472 1.00 40.20 H new ATOM 0 HB2 MET A 1 -3.055 -5.173 2.071 1.00 13.14 H new ATOM 0 HB3 MET A 1 -4.713 -5.225 1.504 1.00 13.14 H new ATOM 0 HG2 MET A 1 -4.634 -7.720 1.567 1.00 62.53 H new ATOM 0 HG3 MET A 1 -2.998 -7.637 2.190 1.00 62.53 H new ATOM 0 HE1 MET A 1 -6.551 -8.041 4.703 1.00 61.15 H new ATOM 0 HE2 MET A 1 -6.721 -7.642 2.977 1.00 61.15 H new ATOM 0 HE3 MET A 1 -5.736 -9.038 3.475 1.00 61.15 H new ATOM 18 N GLN A 2 -3.504 -4.581 -1.998 1.00 35.14 N ATOM 19 CA GLN A 2 -3.705 -3.380 -2.801 1.00 65.40 C ATOM 20 C GLN A 2 -4.874 -3.558 -3.764 1.00 2.40 C ATOM 21 O GLN A 2 -4.708 -4.077 -4.867 1.00 52.24 O ATOM 22 CB GLN A 2 -2.432 -3.047 -3.582 1.00 1.02 C ATOM 23 CG GLN A 2 -1.451 -2.182 -2.806 1.00 51.13 C ATOM 24 CD GLN A 2 -0.017 -2.378 -3.256 1.00 31.22 C ATOM 25 OE1 GLN A 2 0.326 -2.112 -4.408 1.00 61.12 O ATOM 26 NE2 GLN A 2 0.830 -2.846 -2.347 1.00 15.20 N ATOM 0 H GLN A 2 -3.381 -5.436 -2.541 1.00 35.14 H new ATOM 0 HA GLN A 2 -3.937 -2.556 -2.126 1.00 65.40 H new ATOM 0 HB2 GLN A 2 -1.938 -3.975 -3.868 1.00 1.02 H new ATOM 0 HB3 GLN A 2 -2.705 -2.534 -4.504 1.00 1.02 H new ATOM 0 HG2 GLN A 2 -1.725 -1.134 -2.924 1.00 51.13 H new ATOM 0 HG3 GLN A 2 -1.529 -2.414 -1.744 1.00 51.13 H new ATOM 0 HE21 GLN A 2 0.502 -3.053 -1.403 1.00 15.20 H new ATOM 0 HE22 GLN A 2 1.808 -2.998 -2.592 1.00 15.20 H new ATOM 35 N GLU A 3 -6.056 -3.123 -3.338 1.00 33.33 N ATOM 36 CA GLU A 3 -7.253 -3.236 -4.163 1.00 22.35 C ATOM 37 C GLU A 3 -7.326 -2.095 -5.172 1.00 71.42 C ATOM 38 O GLU A 3 -7.033 -0.946 -4.848 1.00 3.45 O ATOM 39 CB GLU A 3 -8.506 -3.236 -3.284 1.00 33.31 C ATOM 40 CG GLU A 3 -8.863 -4.606 -2.732 1.00 42.10 C ATOM 41 CD GLU A 3 -8.139 -4.920 -1.437 1.00 73.35 C ATOM 42 OE1 GLU A 3 -7.968 -3.995 -0.616 1.00 15.24 O ATOM 43 OE2 GLU A 3 -7.745 -6.089 -1.245 1.00 11.42 O ATOM 0 H GLU A 3 -6.210 -2.690 -2.428 1.00 33.33 H new ATOM 0 HA GLU A 3 -7.201 -4.178 -4.709 1.00 22.35 H new ATOM 0 HB2 GLU A 3 -8.356 -2.547 -2.453 1.00 33.31 H new ATOM 0 HB3 GLU A 3 -9.347 -2.857 -3.865 1.00 33.31 H new ATOM 0 HG2 GLU A 3 -9.939 -4.657 -2.564 1.00 42.10 H new ATOM 0 HG3 GLU A 3 -8.620 -5.367 -3.474 1.00 42.10 H new ATOM 50 N GLN A 4 -7.721 -2.423 -6.399 1.00 63.23 N ATOM 51 CA GLN A 4 -7.832 -1.427 -7.457 1.00 44.40 C ATOM 52 C GLN A 4 -9.290 -1.060 -7.710 1.00 30.15 C ATOM 53 O GLN A 4 -10.192 -1.868 -7.487 1.00 31.42 O ATOM 54 CB GLN A 4 -7.193 -1.947 -8.747 1.00 34.13 C ATOM 55 CG GLN A 4 -7.038 -0.884 -9.821 1.00 42.31 C ATOM 56 CD GLN A 4 -5.875 -1.160 -10.752 1.00 42.04 C ATOM 57 OE1 GLN A 4 -5.557 -2.314 -11.041 1.00 71.21 O ATOM 58 NE2 GLN A 4 -5.232 -0.101 -11.230 1.00 11.21 N ATOM 0 H GLN A 4 -7.969 -3.370 -6.684 1.00 63.23 H new ATOM 0 HA GLN A 4 -7.302 -0.531 -7.133 1.00 44.40 H new ATOM 0 HB2 GLN A 4 -6.212 -2.363 -8.515 1.00 34.13 H new ATOM 0 HB3 GLN A 4 -7.800 -2.763 -9.140 1.00 34.13 H new ATOM 0 HG2 GLN A 4 -7.958 -0.824 -10.403 1.00 42.31 H new ATOM 0 HG3 GLN A 4 -6.897 0.088 -9.347 1.00 42.31 H new ATOM 0 HE21 GLN A 4 -5.529 0.838 -10.965 1.00 11.21 H new ATOM 0 HE22 GLN A 4 -4.442 -0.227 -11.862 1.00 11.21 H new ATOM 67 N VAL A 5 -9.516 0.164 -8.176 1.00 42.31 N ATOM 68 CA VAL A 5 -10.866 0.637 -8.460 1.00 65.01 C ATOM 69 C VAL A 5 -10.925 1.354 -9.804 1.00 53.32 C ATOM 70 O VAL A 5 -11.083 2.574 -9.861 1.00 64.13 O ATOM 71 CB VAL A 5 -11.370 1.590 -7.359 1.00 22.31 C ATOM 72 CG1 VAL A 5 -11.722 0.812 -6.101 1.00 13.15 C ATOM 73 CG2 VAL A 5 -10.328 2.658 -7.062 1.00 73.12 C ATOM 0 H VAL A 5 -8.782 0.846 -8.365 1.00 42.31 H new ATOM 0 HA VAL A 5 -11.510 -0.242 -8.492 1.00 65.01 H new ATOM 0 HB VAL A 5 -12.273 2.085 -7.716 1.00 22.31 H new ATOM 0 HG11 VAL A 5 -12.076 1.501 -5.334 1.00 13.15 H new ATOM 0 HG12 VAL A 5 -12.505 0.088 -6.328 1.00 13.15 H new ATOM 0 HG13 VAL A 5 -10.838 0.288 -5.738 1.00 13.15 H new ATOM 0 HG21 VAL A 5 -10.700 3.323 -6.282 1.00 73.12 H new ATOM 0 HG22 VAL A 5 -9.406 2.183 -6.725 1.00 73.12 H new ATOM 0 HG23 VAL A 5 -10.130 3.234 -7.966 1.00 73.12 H new ATOM 83 N SER A 6 -10.801 0.589 -10.883 1.00 24.32 N ATOM 84 CA SER A 6 -10.838 1.151 -12.228 1.00 64.41 C ATOM 85 C SER A 6 -12.013 0.589 -13.020 1.00 34.02 C ATOM 86 O SER A 6 -12.719 1.324 -13.709 1.00 70.24 O ATOM 87 CB SER A 6 -9.527 0.858 -12.961 1.00 52.35 C ATOM 88 OG SER A 6 -9.288 -0.536 -13.041 1.00 41.10 O ATOM 0 H SER A 6 -10.674 -0.423 -10.852 1.00 24.32 H new ATOM 0 HA SER A 6 -10.965 2.230 -12.141 1.00 64.41 H new ATOM 0 HB2 SER A 6 -9.565 1.282 -13.965 1.00 52.35 H new ATOM 0 HB3 SER A 6 -8.700 1.343 -12.442 1.00 52.35 H new ATOM 0 HG SER A 6 -9.713 -0.895 -13.848 1.00 41.10 H new ATOM 94 N ASN A 7 -12.218 -0.720 -12.915 1.00 72.24 N ATOM 95 CA ASN A 7 -13.308 -1.383 -13.622 1.00 51.41 C ATOM 96 C ASN A 7 -13.975 -2.429 -12.734 1.00 73.24 C ATOM 97 O ASN A 7 -13.426 -2.829 -11.708 1.00 32.43 O ATOM 98 CB ASN A 7 -12.789 -2.040 -14.902 1.00 52.15 C ATOM 99 CG ASN A 7 -11.906 -1.110 -15.713 1.00 31.21 C ATOM 100 OD1 ASN A 7 -10.695 -1.044 -15.498 1.00 53.33 O ATOM 101 ND2 ASN A 7 -12.510 -0.387 -16.648 1.00 64.44 N ATOM 0 H ASN A 7 -11.644 -1.343 -12.347 1.00 72.24 H new ATOM 0 HA ASN A 7 -14.050 -0.629 -13.885 1.00 51.41 H new ATOM 0 HB2 ASN A 7 -12.227 -2.937 -14.644 1.00 52.15 H new ATOM 0 HB3 ASN A 7 -13.634 -2.358 -15.512 1.00 52.15 H new ATOM 0 HD21 ASN A 7 -11.968 0.257 -17.224 1.00 64.44 H new ATOM 0 HD22 ASN A 7 -13.516 -0.475 -16.790 1.00 64.44 H new ATOM 108 N VAL A 8 -15.163 -2.870 -13.138 1.00 44.43 N ATOM 109 CA VAL A 8 -15.905 -3.870 -12.382 1.00 22.22 C ATOM 110 C VAL A 8 -15.210 -5.226 -12.436 1.00 32.23 C ATOM 111 O VAL A 8 -14.225 -5.402 -13.152 1.00 62.13 O ATOM 112 CB VAL A 8 -17.344 -4.022 -12.910 1.00 40.24 C ATOM 113 CG1 VAL A 8 -18.079 -2.691 -12.846 1.00 31.53 C ATOM 114 CG2 VAL A 8 -17.334 -4.567 -14.331 1.00 14.43 C ATOM 0 H VAL A 8 -15.631 -2.549 -13.985 1.00 44.43 H new ATOM 0 HA VAL A 8 -15.941 -3.523 -11.349 1.00 22.22 H new ATOM 0 HB VAL A 8 -17.873 -4.733 -12.276 1.00 40.24 H new ATOM 0 HG11 VAL A 8 -19.094 -2.817 -13.223 1.00 31.53 H new ATOM 0 HG12 VAL A 8 -18.116 -2.345 -11.813 1.00 31.53 H new ATOM 0 HG13 VAL A 8 -17.554 -1.956 -13.456 1.00 31.53 H new ATOM 0 HG21 VAL A 8 -18.359 -4.668 -14.689 1.00 14.43 H new ATOM 0 HG22 VAL A 8 -16.789 -3.881 -14.980 1.00 14.43 H new ATOM 0 HG23 VAL A 8 -16.847 -5.542 -14.343 1.00 14.43 H new ATOM 124 N ARG A 9 -15.730 -6.182 -11.673 1.00 13.23 N ATOM 125 CA ARG A 9 -15.160 -7.523 -11.633 1.00 31.04 C ATOM 126 C ARG A 9 -16.257 -8.578 -11.531 1.00 21.41 C ATOM 127 O ARG A 9 -17.221 -8.416 -10.783 1.00 43.31 O ATOM 128 CB ARG A 9 -14.198 -7.657 -10.450 1.00 52.33 C ATOM 129 CG ARG A 9 -12.838 -7.025 -10.698 1.00 24.32 C ATOM 130 CD ARG A 9 -12.082 -6.803 -9.398 1.00 31.32 C ATOM 131 NE ARG A 9 -10.796 -6.146 -9.617 1.00 32.22 N ATOM 132 CZ ARG A 9 -9.951 -5.839 -8.639 1.00 54.30 C ATOM 133 NH1 ARG A 9 -10.256 -6.127 -7.381 1.00 25.23 N ATOM 134 NH2 ARG A 9 -8.800 -5.242 -8.919 1.00 53.30 N ATOM 0 H ARG A 9 -16.545 -6.052 -11.074 1.00 13.23 H new ATOM 0 HA ARG A 9 -14.610 -7.684 -12.560 1.00 31.04 H new ATOM 0 HB2 ARG A 9 -14.649 -7.196 -9.571 1.00 52.33 H new ATOM 0 HB3 ARG A 9 -14.062 -8.714 -10.221 1.00 52.33 H new ATOM 0 HG2 ARG A 9 -12.252 -7.667 -11.356 1.00 24.32 H new ATOM 0 HG3 ARG A 9 -12.966 -6.073 -11.213 1.00 24.32 H new ATOM 0 HD2 ARG A 9 -12.689 -6.197 -8.725 1.00 31.32 H new ATOM 0 HD3 ARG A 9 -11.920 -7.761 -8.905 1.00 31.32 H new ATOM 0 HE ARG A 9 -10.532 -5.910 -10.574 1.00 32.22 H new ATOM 0 HH11 ARG A 9 -11.141 -6.585 -7.163 1.00 25.23 H new ATOM 0 HH12 ARG A 9 -9.606 -5.890 -6.632 1.00 25.23 H new ATOM 0 HH21 ARG A 9 -8.563 -5.018 -9.886 1.00 53.30 H new ATOM 0 HH22 ARG A 9 -8.152 -5.007 -8.168 1.00 53.30 H new ATOM 148 N ALA A 10 -16.103 -9.660 -12.288 1.00 51.52 N ATOM 149 CA ALA A 10 -17.080 -10.742 -12.282 1.00 0.50 C ATOM 150 C ALA A 10 -16.561 -11.945 -11.503 1.00 0.43 C ATOM 151 O ALA A 10 -15.448 -12.417 -11.739 1.00 14.31 O ATOM 152 CB ALA A 10 -17.430 -11.145 -13.707 1.00 12.33 C ATOM 0 H ALA A 10 -15.311 -9.810 -12.913 1.00 51.52 H new ATOM 0 HA ALA A 10 -17.981 -10.382 -11.786 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -18.160 -11.954 -13.687 1.00 12.33 H new ATOM 0 HB2 ALA A 10 -17.851 -10.289 -14.234 1.00 12.33 H new ATOM 0 HB3 ALA A 10 -16.530 -11.481 -14.221 1.00 12.33 H new ATOM 158 N ARG A 11 -17.374 -12.437 -10.573 1.00 25.33 N ATOM 159 CA ARG A 11 -16.995 -13.585 -9.757 1.00 42.34 C ATOM 160 C ARG A 11 -17.805 -14.818 -10.145 1.00 24.25 C ATOM 161 O ARG A 11 -18.973 -14.947 -9.776 1.00 63.01 O ATOM 162 CB ARG A 11 -17.199 -13.272 -8.274 1.00 32.03 C ATOM 163 CG ARG A 11 -17.125 -14.498 -7.378 1.00 33.21 C ATOM 164 CD ARG A 11 -16.712 -14.129 -5.961 1.00 42.25 C ATOM 165 NE ARG A 11 -15.264 -13.987 -5.834 1.00 71.34 N ATOM 166 CZ ARG A 11 -14.659 -13.598 -4.717 1.00 1.30 C ATOM 167 NH1 ARG A 11 -15.373 -13.313 -3.637 1.00 20.21 N ATOM 168 NH2 ARG A 11 -13.337 -13.492 -4.679 1.00 65.31 N ATOM 0 H ARG A 11 -18.298 -12.059 -10.366 1.00 25.33 H new ATOM 0 HA ARG A 11 -15.940 -13.794 -9.935 1.00 42.34 H new ATOM 0 HB2 ARG A 11 -16.444 -12.553 -7.956 1.00 32.03 H new ATOM 0 HB3 ARG A 11 -18.170 -12.794 -8.142 1.00 32.03 H new ATOM 0 HG2 ARG A 11 -18.095 -14.994 -7.358 1.00 33.21 H new ATOM 0 HG3 ARG A 11 -16.411 -15.210 -7.792 1.00 33.21 H new ATOM 0 HD2 ARG A 11 -17.195 -13.195 -5.674 1.00 42.25 H new ATOM 0 HD3 ARG A 11 -17.063 -14.895 -5.270 1.00 42.25 H new ATOM 0 HE ARG A 11 -14.686 -14.198 -6.647 1.00 71.34 H new ATOM 0 HH11 ARG A 11 -16.390 -13.392 -3.662 1.00 20.21 H new ATOM 0 HH12 ARG A 11 -14.906 -13.015 -2.781 1.00 20.21 H new ATOM 0 HH21 ARG A 11 -12.784 -13.709 -5.508 1.00 65.31 H new ATOM 0 HH22 ARG A 11 -12.874 -13.193 -3.821 1.00 65.31 H new ATOM 182 N ILE A 12 -17.177 -15.721 -10.890 1.00 32.43 N ATOM 183 CA ILE A 12 -17.840 -16.944 -11.326 1.00 60.42 C ATOM 184 C ILE A 12 -17.571 -18.091 -10.358 1.00 63.32 C ATOM 185 O ILE A 12 -16.457 -18.246 -9.857 1.00 44.44 O ATOM 186 CB ILE A 12 -17.382 -17.360 -12.737 1.00 1.51 C ATOM 187 CG1 ILE A 12 -17.701 -16.256 -13.747 1.00 43.41 C ATOM 188 CG2 ILE A 12 -18.045 -18.667 -13.146 1.00 2.35 C ATOM 189 CD1 ILE A 12 -16.859 -16.323 -15.002 1.00 31.02 C ATOM 0 H ILE A 12 -16.211 -15.629 -11.204 1.00 32.43 H new ATOM 0 HA ILE A 12 -18.909 -16.733 -11.347 1.00 60.42 H new ATOM 0 HB ILE A 12 -16.303 -17.512 -12.722 1.00 1.51 H new ATOM 0 HG12 ILE A 12 -18.754 -16.319 -14.022 1.00 43.41 H new ATOM 0 HG13 ILE A 12 -17.554 -15.286 -13.272 1.00 43.41 H new ATOM 0 HG21 ILE A 12 -17.711 -18.947 -14.145 1.00 2.35 H new ATOM 0 HG22 ILE A 12 -17.772 -19.450 -12.439 1.00 2.35 H new ATOM 0 HG23 ILE A 12 -19.128 -18.541 -13.147 1.00 2.35 H new ATOM 0 HD11 ILE A 12 -17.140 -15.510 -15.672 1.00 31.02 H new ATOM 0 HD12 ILE A 12 -15.805 -16.229 -14.739 1.00 31.02 H new ATOM 0 HD13 ILE A 12 -17.024 -17.278 -15.501 1.00 31.02 H new ATOM 201 N TYR A 13 -18.598 -18.893 -10.101 1.00 3.21 N ATOM 202 CA TYR A 13 -18.472 -20.027 -9.192 1.00 75.13 C ATOM 203 C TYR A 13 -19.267 -21.225 -9.703 1.00 62.35 C ATOM 204 O TYR A 13 -20.385 -21.080 -10.197 1.00 52.35 O ATOM 205 CB TYR A 13 -18.955 -19.640 -7.792 1.00 62.23 C ATOM 206 CG TYR A 13 -19.057 -20.812 -6.843 1.00 32.54 C ATOM 207 CD1 TYR A 13 -17.941 -21.577 -6.530 1.00 3.22 C ATOM 208 CD2 TYR A 13 -20.271 -21.156 -6.259 1.00 51.42 C ATOM 209 CE1 TYR A 13 -18.029 -22.650 -5.662 1.00 41.33 C ATOM 210 CE2 TYR A 13 -20.368 -22.225 -5.390 1.00 73.24 C ATOM 211 CZ TYR A 13 -19.245 -22.968 -5.095 1.00 22.42 C ATOM 212 OH TYR A 13 -19.338 -24.035 -4.231 1.00 33.31 O ATOM 0 H TYR A 13 -19.526 -18.780 -10.508 1.00 3.21 H new ATOM 0 HA TYR A 13 -17.420 -20.306 -9.143 1.00 75.13 H new ATOM 0 HB2 TYR A 13 -18.272 -18.901 -7.372 1.00 62.23 H new ATOM 0 HB3 TYR A 13 -19.931 -19.162 -7.873 1.00 62.23 H new ATOM 0 HD1 TYR A 13 -16.987 -21.330 -6.972 1.00 3.22 H new ATOM 0 HD2 TYR A 13 -21.153 -20.577 -6.489 1.00 51.42 H new ATOM 0 HE1 TYR A 13 -17.151 -23.235 -5.430 1.00 41.33 H new ATOM 0 HE2 TYR A 13 -21.319 -22.477 -4.944 1.00 73.24 H new ATOM 0 HH TYR A 13 -20.263 -24.124 -3.919 1.00 33.31 H new ATOM 222 N LYS A 14 -18.681 -22.411 -9.579 1.00 65.41 N ATOM 223 CA LYS A 14 -19.331 -23.637 -10.027 1.00 2.13 C ATOM 224 C LYS A 14 -20.340 -24.125 -8.992 1.00 22.23 C ATOM 225 O LYS A 14 -20.215 -23.864 -7.795 1.00 50.23 O ATOM 226 CB LYS A 14 -18.288 -24.725 -10.290 1.00 53.21 C ATOM 227 CG LYS A 14 -17.708 -25.331 -9.024 1.00 62.51 C ATOM 228 CD LYS A 14 -16.729 -26.449 -9.339 1.00 60.42 C ATOM 229 CE LYS A 14 -17.433 -27.650 -9.952 1.00 70.32 C ATOM 230 NZ LYS A 14 -18.473 -28.207 -9.042 1.00 72.13 N ATOM 0 H LYS A 14 -17.756 -22.549 -9.172 1.00 65.41 H new ATOM 0 HA LYS A 14 -19.862 -23.420 -10.954 1.00 2.13 H new ATOM 0 HB2 LYS A 14 -18.743 -25.516 -10.886 1.00 53.21 H new ATOM 0 HB3 LYS A 14 -17.478 -24.304 -10.885 1.00 53.21 H new ATOM 0 HG2 LYS A 14 -17.203 -24.556 -8.447 1.00 62.51 H new ATOM 0 HG3 LYS A 14 -18.515 -25.717 -8.402 1.00 62.51 H new ATOM 0 HD2 LYS A 14 -15.966 -26.083 -10.026 1.00 60.42 H new ATOM 0 HD3 LYS A 14 -16.216 -26.753 -8.426 1.00 60.42 H new ATOM 0 HE2 LYS A 14 -17.894 -27.358 -10.895 1.00 70.32 H new ATOM 0 HE3 LYS A 14 -16.699 -28.423 -10.182 1.00 70.32 H new ATOM 0 HZ1 LYS A 14 -18.786 -29.133 -9.398 1.00 72.13 H new ATOM 0 HZ2 LYS A 14 -18.075 -28.320 -8.088 1.00 72.13 H new ATOM 0 HZ3 LYS A 14 -19.285 -27.558 -9.004 1.00 72.13 H new ATOM 244 N PRO A 15 -21.364 -24.853 -9.460 1.00 74.25 N ATOM 245 CA PRO A 15 -22.413 -25.395 -8.593 1.00 13.14 C ATOM 246 C PRO A 15 -21.901 -26.515 -7.693 1.00 62.12 C ATOM 247 O PRO A 15 -20.726 -26.876 -7.745 1.00 5.34 O ATOM 248 CB PRO A 15 -23.449 -25.935 -9.582 1.00 34.04 C ATOM 249 CG PRO A 15 -22.673 -26.232 -10.818 1.00 71.25 C ATOM 250 CD PRO A 15 -21.577 -25.204 -10.875 1.00 23.20 C ATOM 0 HA PRO A 15 -22.807 -24.641 -7.912 1.00 13.14 H new ATOM 0 HB2 PRO A 15 -23.936 -26.830 -9.196 1.00 34.04 H new ATOM 0 HB3 PRO A 15 -24.233 -25.203 -9.773 1.00 34.04 H new ATOM 0 HG2 PRO A 15 -22.261 -27.241 -10.787 1.00 71.25 H new ATOM 0 HG3 PRO A 15 -23.309 -26.174 -11.701 1.00 71.25 H new ATOM 0 HD2 PRO A 15 -20.672 -25.607 -11.330 1.00 23.20 H new ATOM 0 HD3 PRO A 15 -21.871 -24.336 -11.465 1.00 23.20 H new ATOM 258 N ALA A 16 -22.791 -27.062 -6.871 1.00 22.31 N ATOM 259 CA ALA A 16 -22.428 -28.143 -5.962 1.00 43.14 C ATOM 260 C ALA A 16 -22.405 -29.485 -6.687 1.00 45.44 C ATOM 261 O ALA A 16 -22.886 -29.602 -7.815 1.00 11.24 O ATOM 262 CB ALA A 16 -23.394 -28.192 -4.789 1.00 1.33 C ATOM 0 H ALA A 16 -23.768 -26.775 -6.816 1.00 22.31 H new ATOM 0 HA ALA A 16 -21.425 -27.946 -5.584 1.00 43.14 H new ATOM 0 HB1 ALA A 16 -23.111 -29.004 -4.118 1.00 1.33 H new ATOM 0 HB2 ALA A 16 -23.359 -27.246 -4.249 1.00 1.33 H new ATOM 0 HB3 ALA A 16 -24.406 -28.362 -5.158 1.00 1.33 H new ATOM 268 N LYS A 17 -21.842 -30.495 -6.034 1.00 4.04 N ATOM 269 CA LYS A 17 -21.756 -31.830 -6.615 1.00 10.24 C ATOM 270 C LYS A 17 -23.139 -32.345 -6.999 1.00 70.03 C ATOM 271 O LYS A 17 -23.287 -33.090 -7.969 1.00 22.42 O ATOM 272 CB LYS A 17 -21.095 -32.796 -5.629 1.00 73.25 C ATOM 273 CG LYS A 17 -21.779 -32.844 -4.274 1.00 10.13 C ATOM 274 CD LYS A 17 -21.209 -33.948 -3.400 1.00 5.22 C ATOM 275 CE LYS A 17 -19.850 -33.564 -2.834 1.00 34.23 C ATOM 276 NZ LYS A 17 -18.747 -33.865 -3.786 1.00 61.11 N ATOM 0 H LYS A 17 -21.438 -30.415 -5.101 1.00 4.04 H new ATOM 0 HA LYS A 17 -21.147 -31.769 -7.517 1.00 10.24 H new ATOM 0 HB2 LYS A 17 -21.092 -33.797 -6.061 1.00 73.25 H new ATOM 0 HB3 LYS A 17 -20.054 -32.505 -5.491 1.00 73.25 H new ATOM 0 HG2 LYS A 17 -21.661 -31.884 -3.772 1.00 10.13 H new ATOM 0 HG3 LYS A 17 -22.849 -33.003 -4.411 1.00 10.13 H new ATOM 0 HD2 LYS A 17 -21.898 -34.159 -2.583 1.00 5.22 H new ATOM 0 HD3 LYS A 17 -21.116 -34.864 -3.983 1.00 5.22 H new ATOM 0 HE2 LYS A 17 -19.844 -32.500 -2.596 1.00 34.23 H new ATOM 0 HE3 LYS A 17 -19.681 -34.101 -1.901 1.00 34.23 H new ATOM 0 HZ1 LYS A 17 -17.979 -34.354 -3.284 1.00 61.11 H new ATOM 0 HZ2 LYS A 17 -19.104 -34.474 -4.550 1.00 61.11 H new ATOM 0 HZ3 LYS A 17 -18.386 -32.978 -4.191 1.00 61.11 H new ATOM 290 N SER A 18 -24.149 -31.943 -6.235 1.00 31.42 N ATOM 291 CA SER A 18 -25.520 -32.367 -6.495 1.00 33.20 C ATOM 292 C SER A 18 -26.096 -31.634 -7.702 1.00 71.11 C ATOM 293 O SER A 18 -25.458 -30.744 -8.266 1.00 53.12 O ATOM 294 CB SER A 18 -26.395 -32.116 -5.266 1.00 54.10 C ATOM 295 OG SER A 18 -25.849 -32.733 -4.114 1.00 25.33 O ATOM 0 H SER A 18 -24.044 -31.324 -5.431 1.00 31.42 H new ATOM 0 HA SER A 18 -25.509 -33.435 -6.712 1.00 33.20 H new ATOM 0 HB2 SER A 18 -26.490 -31.043 -5.097 1.00 54.10 H new ATOM 0 HB3 SER A 18 -27.399 -32.500 -5.446 1.00 54.10 H new ATOM 0 HG SER A 18 -26.427 -32.555 -3.343 1.00 25.33 H new ATOM 301 N THR A 19 -27.307 -32.015 -8.096 1.00 53.44 N ATOM 302 CA THR A 19 -27.970 -31.396 -9.237 1.00 14.31 C ATOM 303 C THR A 19 -29.482 -31.374 -9.049 1.00 32.52 C ATOM 304 O THR A 19 -30.021 -32.081 -8.198 1.00 32.31 O ATOM 305 CB THR A 19 -27.637 -32.133 -10.548 1.00 12.44 C ATOM 306 OG1 THR A 19 -26.311 -32.669 -10.486 1.00 22.04 O ATOM 307 CG2 THR A 19 -27.756 -31.196 -11.740 1.00 71.44 C ATOM 0 H THR A 19 -27.849 -32.750 -7.641 1.00 53.44 H new ATOM 0 HA THR A 19 -27.600 -30.373 -9.300 1.00 14.31 H new ATOM 0 HB THR A 19 -28.351 -32.947 -10.673 1.00 12.44 H new ATOM 0 HG1 THR A 19 -26.108 -33.137 -11.323 1.00 22.04 H new ATOM 0 HG21 THR A 19 -27.516 -31.738 -12.655 1.00 71.44 H new ATOM 0 HG22 THR A 19 -28.775 -30.813 -11.802 1.00 71.44 H new ATOM 0 HG23 THR A 19 -27.062 -30.364 -11.619 1.00 71.44 H new ATOM 315 N MET A 20 -30.163 -30.559 -9.849 1.00 65.14 N ATOM 316 CA MET A 20 -31.614 -30.448 -9.772 1.00 34.41 C ATOM 317 C MET A 20 -32.255 -30.733 -11.126 1.00 61.23 C ATOM 318 O MET A 20 -31.570 -31.098 -12.081 1.00 63.24 O ATOM 319 CB MET A 20 -32.015 -29.053 -9.288 1.00 40.32 C ATOM 320 CG MET A 20 -31.294 -28.618 -8.023 1.00 2.24 C ATOM 321 SD MET A 20 -32.109 -27.236 -7.199 1.00 34.40 S ATOM 322 CE MET A 20 -33.270 -28.106 -6.148 1.00 60.13 C ATOM 0 H MET A 20 -29.732 -29.966 -10.558 1.00 65.14 H new ATOM 0 HA MET A 20 -31.972 -31.190 -9.058 1.00 34.41 H new ATOM 0 HB2 MET A 20 -31.812 -28.331 -10.079 1.00 40.32 H new ATOM 0 HB3 MET A 20 -33.090 -29.035 -9.108 1.00 40.32 H new ATOM 0 HG2 MET A 20 -31.234 -29.462 -7.335 1.00 2.24 H new ATOM 0 HG3 MET A 20 -30.271 -28.336 -8.271 1.00 2.24 H new ATOM 0 HE1 MET A 20 -33.851 -27.385 -5.572 1.00 60.13 H new ATOM 0 HE2 MET A 20 -33.942 -28.703 -6.764 1.00 60.13 H new ATOM 0 HE3 MET A 20 -32.725 -28.760 -5.467 1.00 60.13 H new ATOM 332 N GLN A 21 -33.571 -30.566 -11.201 1.00 42.42 N ATOM 333 CA GLN A 21 -34.303 -30.806 -12.439 1.00 23.12 C ATOM 334 C GLN A 21 -33.981 -29.737 -13.478 1.00 13.42 C ATOM 335 O GLN A 21 -33.150 -28.859 -13.243 1.00 61.42 O ATOM 336 CB GLN A 21 -35.807 -30.836 -12.169 1.00 74.05 C ATOM 337 CG GLN A 21 -36.277 -32.107 -11.480 1.00 72.43 C ATOM 338 CD GLN A 21 -36.007 -32.098 -9.989 1.00 51.23 C ATOM 339 OE1 GLN A 21 -36.826 -31.623 -9.202 1.00 12.53 O ATOM 340 NE2 GLN A 21 -34.854 -32.624 -9.593 1.00 33.04 N ATOM 0 H GLN A 21 -34.153 -30.265 -10.419 1.00 42.42 H new ATOM 0 HA GLN A 21 -33.993 -31.774 -12.833 1.00 23.12 H new ATOM 0 HB2 GLN A 21 -36.074 -29.978 -11.552 1.00 74.05 H new ATOM 0 HB3 GLN A 21 -36.339 -30.727 -13.114 1.00 74.05 H new ATOM 0 HG2 GLN A 21 -37.346 -32.234 -11.651 1.00 72.43 H new ATOM 0 HG3 GLN A 21 -35.778 -32.965 -11.930 1.00 72.43 H new ATOM 0 HE21 GLN A 21 -34.205 -33.006 -10.281 1.00 33.04 H new ATOM 0 HE22 GLN A 21 -34.617 -32.646 -8.601 1.00 33.04 H new ATOM 349 N SER A 22 -34.646 -29.815 -14.626 1.00 72.50 N ATOM 350 CA SER A 22 -34.428 -28.857 -15.703 1.00 73.11 C ATOM 351 C SER A 22 -35.609 -28.846 -16.668 1.00 60.03 C ATOM 352 O SER A 22 -36.000 -29.884 -17.200 1.00 25.50 O ATOM 353 CB SER A 22 -33.140 -29.191 -16.459 1.00 1.43 C ATOM 354 OG SER A 22 -33.265 -30.413 -17.165 1.00 51.45 O ATOM 0 H SER A 22 -35.341 -30.532 -14.834 1.00 72.50 H new ATOM 0 HA SER A 22 -34.334 -27.866 -15.260 1.00 73.11 H new ATOM 0 HB2 SER A 22 -32.905 -28.387 -17.156 1.00 1.43 H new ATOM 0 HB3 SER A 22 -32.309 -29.257 -15.757 1.00 1.43 H new ATOM 0 HG SER A 22 -34.200 -30.546 -17.427 1.00 51.45 H new ATOM 360 N GLY A 23 -36.174 -27.663 -16.890 1.00 14.33 N ATOM 361 CA GLY A 23 -37.306 -27.538 -17.790 1.00 63.31 C ATOM 362 C GLY A 23 -36.962 -26.768 -19.050 1.00 32.22 C ATOM 363 O GLY A 23 -35.972 -27.068 -19.718 1.00 23.32 O ATOM 0 H GLY A 23 -35.868 -26.789 -16.463 1.00 14.33 H new ATOM 0 HA2 GLY A 23 -37.662 -28.532 -18.061 1.00 63.31 H new ATOM 0 HA3 GLY A 23 -38.124 -27.036 -17.273 1.00 63.31 H new ATOM 367 N HIS A 24 -37.782 -25.774 -19.377 1.00 24.14 N ATOM 368 CA HIS A 24 -37.559 -24.959 -20.566 1.00 24.25 C ATOM 369 C HIS A 24 -37.008 -23.587 -20.189 1.00 73.42 C ATOM 370 O HIS A 24 -36.199 -23.012 -20.916 1.00 34.21 O ATOM 371 CB HIS A 24 -38.861 -24.802 -21.352 1.00 44.41 C ATOM 372 CG HIS A 24 -40.024 -24.383 -20.507 1.00 5.14 C ATOM 373 ND1 HIS A 24 -40.796 -25.276 -19.793 1.00 51.50 N ATOM 374 CD2 HIS A 24 -40.544 -23.158 -20.261 1.00 50.51 C ATOM 375 CE1 HIS A 24 -41.742 -24.617 -19.146 1.00 62.35 C ATOM 376 NE2 HIS A 24 -41.612 -23.330 -19.414 1.00 64.31 N ATOM 0 H HIS A 24 -38.606 -25.514 -18.836 1.00 24.14 H new ATOM 0 HA HIS A 24 -36.824 -25.465 -21.192 1.00 24.25 H new ATOM 0 HB2 HIS A 24 -38.712 -24.066 -22.142 1.00 44.41 H new ATOM 0 HB3 HIS A 24 -39.098 -25.748 -21.839 1.00 44.41 H new ATOM 0 HD2 HIS A 24 -40.186 -22.219 -20.657 1.00 50.51 H new ATOM 0 HE1 HIS A 24 -42.494 -25.056 -18.507 1.00 62.35 H new ATOM 0 HE2 HIS A 24 -42.207 -22.585 -19.051 1.00 64.31 H new ATOM 384 N SER A 25 -37.454 -23.069 -19.049 1.00 60.13 N ATOM 385 CA SER A 25 -37.009 -21.762 -18.579 1.00 20.23 C ATOM 386 C SER A 25 -36.379 -21.870 -17.193 1.00 14.50 C ATOM 387 O SER A 25 -36.412 -22.927 -16.563 1.00 11.12 O ATOM 388 CB SER A 25 -38.183 -20.782 -18.543 1.00 60.34 C ATOM 389 OG SER A 25 -39.242 -21.283 -17.745 1.00 25.12 O ATOM 0 H SER A 25 -38.122 -23.534 -18.434 1.00 60.13 H new ATOM 0 HA SER A 25 -36.256 -21.390 -19.274 1.00 20.23 H new ATOM 0 HB2 SER A 25 -37.848 -19.823 -18.148 1.00 60.34 H new ATOM 0 HB3 SER A 25 -38.541 -20.602 -19.557 1.00 60.34 H new ATOM 0 HG SER A 25 -39.979 -20.637 -17.737 1.00 25.12 H new ATOM 395 N LYS A 26 -35.806 -20.766 -16.723 1.00 32.42 N ATOM 396 CA LYS A 26 -35.170 -20.733 -15.412 1.00 45.15 C ATOM 397 C LYS A 26 -34.034 -21.747 -15.333 1.00 20.31 C ATOM 398 O LYS A 26 -33.791 -22.342 -14.282 1.00 0.34 O ATOM 399 CB LYS A 26 -36.198 -21.016 -14.315 1.00 73.34 C ATOM 400 CG LYS A 26 -35.828 -20.425 -12.966 1.00 74.01 C ATOM 401 CD LYS A 26 -37.018 -20.404 -12.022 1.00 13.45 C ATOM 402 CE LYS A 26 -37.998 -19.297 -12.383 1.00 62.24 C ATOM 403 NZ LYS A 26 -39.358 -19.558 -11.834 1.00 24.42 N ATOM 0 H LYS A 26 -35.770 -19.883 -17.231 1.00 32.42 H new ATOM 0 HA LYS A 26 -34.755 -19.736 -15.263 1.00 45.15 H new ATOM 0 HB2 LYS A 26 -37.165 -20.618 -14.624 1.00 73.34 H new ATOM 0 HB3 LYS A 26 -36.316 -22.094 -14.209 1.00 73.34 H new ATOM 0 HG2 LYS A 26 -35.020 -21.007 -12.522 1.00 74.01 H new ATOM 0 HG3 LYS A 26 -35.453 -19.411 -13.103 1.00 74.01 H new ATOM 0 HD2 LYS A 26 -37.527 -21.367 -12.056 1.00 13.45 H new ATOM 0 HD3 LYS A 26 -36.669 -20.263 -10.999 1.00 13.45 H new ATOM 0 HE2 LYS A 26 -37.628 -18.346 -12.000 1.00 62.24 H new ATOM 0 HE3 LYS A 26 -38.056 -19.203 -13.467 1.00 62.24 H new ATOM 0 HZ1 LYS A 26 -39.995 -18.781 -12.102 1.00 24.42 H new ATOM 0 HZ2 LYS A 26 -39.722 -20.453 -12.219 1.00 24.42 H new ATOM 0 HZ3 LYS A 26 -39.307 -19.622 -10.797 1.00 24.42 H new ATOM 417 N LEU A 27 -33.339 -21.939 -16.449 1.00 31.42 N ATOM 418 CA LEU A 27 -32.227 -22.881 -16.506 1.00 22.14 C ATOM 419 C LEU A 27 -30.936 -22.229 -16.019 1.00 22.52 C ATOM 420 O LEU A 27 -30.364 -21.377 -16.698 1.00 70.33 O ATOM 421 CB LEU A 27 -32.043 -23.399 -17.933 1.00 74.42 C ATOM 422 CG LEU A 27 -32.975 -24.533 -18.361 1.00 12.12 C ATOM 423 CD1 LEU A 27 -33.022 -24.644 -19.876 1.00 73.12 C ATOM 424 CD2 LEU A 27 -32.532 -25.851 -17.741 1.00 64.44 C ATOM 0 H LEU A 27 -33.526 -21.455 -17.327 1.00 31.42 H new ATOM 0 HA LEU A 27 -32.460 -23.719 -15.850 1.00 22.14 H new ATOM 0 HB2 LEU A 27 -32.179 -22.565 -18.621 1.00 74.42 H new ATOM 0 HB3 LEU A 27 -31.014 -23.740 -18.044 1.00 74.42 H new ATOM 0 HG LEU A 27 -33.979 -24.305 -18.003 1.00 12.12 H new ATOM 0 HD11 LEU A 27 -33.690 -25.457 -20.161 1.00 73.12 H new ATOM 0 HD12 LEU A 27 -33.388 -23.708 -20.298 1.00 73.12 H new ATOM 0 HD13 LEU A 27 -32.021 -24.847 -20.257 1.00 73.12 H new ATOM 0 HD21 LEU A 27 -33.207 -26.647 -18.057 1.00 64.44 H new ATOM 0 HD22 LEU A 27 -31.518 -26.084 -18.067 1.00 64.44 H new ATOM 0 HD23 LEU A 27 -32.553 -25.767 -16.654 1.00 64.44 H new ATOM 436 N LYS A 28 -30.481 -22.638 -14.839 1.00 21.11 N ATOM 437 CA LYS A 28 -29.257 -22.097 -14.262 1.00 22.34 C ATOM 438 C LYS A 28 -28.401 -23.209 -13.662 1.00 15.41 C ATOM 439 O LYS A 28 -28.906 -24.078 -12.950 1.00 43.24 O ATOM 440 CB LYS A 28 -29.589 -21.059 -13.189 1.00 73.11 C ATOM 441 CG LYS A 28 -30.420 -19.897 -13.703 1.00 53.35 C ATOM 442 CD LYS A 28 -31.275 -19.291 -12.603 1.00 4.24 C ATOM 443 CE LYS A 28 -32.577 -20.057 -12.424 1.00 10.35 C ATOM 444 NZ LYS A 28 -33.313 -19.622 -11.204 1.00 53.12 N ATOM 0 H LYS A 28 -30.942 -23.343 -14.264 1.00 21.11 H new ATOM 0 HA LYS A 28 -28.691 -21.616 -15.060 1.00 22.34 H new ATOM 0 HB2 LYS A 28 -30.127 -21.548 -12.377 1.00 73.11 H new ATOM 0 HB3 LYS A 28 -28.660 -20.673 -12.769 1.00 73.11 H new ATOM 0 HG2 LYS A 28 -29.762 -19.133 -14.116 1.00 53.35 H new ATOM 0 HG3 LYS A 28 -31.061 -20.239 -14.516 1.00 53.35 H new ATOM 0 HD2 LYS A 28 -30.719 -19.293 -11.666 1.00 4.24 H new ATOM 0 HD3 LYS A 28 -31.494 -18.250 -12.842 1.00 4.24 H new ATOM 0 HE2 LYS A 28 -33.208 -19.910 -13.301 1.00 10.35 H new ATOM 0 HE3 LYS A 28 -32.365 -21.124 -12.359 1.00 10.35 H new ATOM 0 HZ1 LYS A 28 -33.836 -20.429 -10.808 1.00 53.12 H new ATOM 0 HZ2 LYS A 28 -32.636 -19.268 -10.498 1.00 53.12 H new ATOM 0 HZ3 LYS A 28 -33.981 -18.865 -11.453 1.00 53.12 H new ATOM 458 N ALA A 29 -27.104 -23.174 -13.951 1.00 52.23 N ATOM 459 CA ALA A 29 -26.180 -24.176 -13.437 1.00 0.34 C ATOM 460 C ALA A 29 -24.990 -23.520 -12.744 1.00 1.00 C ATOM 461 O ALA A 29 -24.581 -23.940 -11.662 1.00 74.30 O ATOM 462 CB ALA A 29 -25.704 -25.082 -14.562 1.00 32.34 C ATOM 0 H ALA A 29 -26.670 -22.462 -14.539 1.00 52.23 H new ATOM 0 HA ALA A 29 -26.710 -24.779 -12.700 1.00 0.34 H new ATOM 0 HB1 ALA A 29 -25.014 -25.826 -14.163 1.00 32.34 H new ATOM 0 HB2 ALA A 29 -26.560 -25.585 -15.011 1.00 32.34 H new ATOM 0 HB3 ALA A 29 -25.196 -24.485 -15.319 1.00 32.34 H new ATOM 468 N TRP A 30 -24.438 -22.490 -13.376 1.00 34.43 N ATOM 469 CA TRP A 30 -23.293 -21.777 -12.819 1.00 71.44 C ATOM 470 C TRP A 30 -23.728 -20.463 -12.181 1.00 55.11 C ATOM 471 O TRP A 30 -24.792 -19.930 -12.497 1.00 54.23 O ATOM 472 CB TRP A 30 -22.255 -21.509 -13.909 1.00 61.44 C ATOM 473 CG TRP A 30 -21.403 -22.702 -14.224 1.00 41.05 C ATOM 474 CD1 TRP A 30 -21.776 -23.813 -14.925 1.00 20.44 C ATOM 475 CD2 TRP A 30 -20.036 -22.902 -13.849 1.00 53.32 C ATOM 476 NE1 TRP A 30 -20.724 -24.693 -15.007 1.00 3.35 N ATOM 477 CE2 TRP A 30 -19.644 -24.156 -14.356 1.00 25.24 C ATOM 478 CE3 TRP A 30 -19.104 -22.142 -13.137 1.00 0.33 C ATOM 479 CZ2 TRP A 30 -18.361 -24.666 -14.170 1.00 35.44 C ATOM 480 CZ3 TRP A 30 -17.832 -22.650 -12.953 1.00 63.23 C ATOM 481 CH2 TRP A 30 -17.470 -23.901 -13.468 1.00 64.23 C ATOM 0 H TRP A 30 -24.764 -22.130 -14.273 1.00 34.43 H new ATOM 0 HA TRP A 30 -22.846 -22.404 -12.047 1.00 71.44 H new ATOM 0 HB2 TRP A 30 -22.766 -21.187 -14.816 1.00 61.44 H new ATOM 0 HB3 TRP A 30 -21.613 -20.686 -13.595 1.00 61.44 H new ATOM 0 HD1 TRP A 30 -22.754 -23.976 -15.352 1.00 20.44 H new ATOM 0 HE1 TRP A 30 -20.744 -25.599 -15.476 1.00 3.35 H new ATOM 0 HE3 TRP A 30 -19.373 -21.175 -12.738 1.00 0.33 H new ATOM 0 HZ2 TRP A 30 -18.080 -25.631 -14.566 1.00 35.44 H new ATOM 0 HZ3 TRP A 30 -17.104 -22.072 -12.402 1.00 63.23 H new ATOM 0 HH2 TRP A 30 -16.467 -24.269 -13.308 1.00 64.23 H new ATOM 492 N LYS A 31 -22.901 -19.945 -11.280 1.00 64.33 N ATOM 493 CA LYS A 31 -23.199 -18.692 -10.597 1.00 62.01 C ATOM 494 C LYS A 31 -22.197 -17.609 -10.985 1.00 61.04 C ATOM 495 O LYS A 31 -20.986 -17.836 -10.971 1.00 71.13 O ATOM 496 CB LYS A 31 -23.183 -18.897 -9.080 1.00 61.42 C ATOM 497 CG LYS A 31 -23.605 -17.667 -8.296 1.00 61.13 C ATOM 498 CD LYS A 31 -25.116 -17.504 -8.284 1.00 65.51 C ATOM 499 CE LYS A 31 -25.563 -16.533 -7.203 1.00 51.44 C ATOM 500 NZ LYS A 31 -27.039 -16.566 -7.004 1.00 45.22 N ATOM 0 H LYS A 31 -22.017 -20.374 -11.005 1.00 64.33 H new ATOM 0 HA LYS A 31 -24.194 -18.368 -10.903 1.00 62.01 H new ATOM 0 HB2 LYS A 31 -23.846 -19.724 -8.827 1.00 61.42 H new ATOM 0 HB3 LYS A 31 -22.179 -19.187 -8.772 1.00 61.42 H new ATOM 0 HG2 LYS A 31 -23.238 -17.744 -7.272 1.00 61.13 H new ATOM 0 HG3 LYS A 31 -23.146 -16.780 -8.734 1.00 61.13 H new ATOM 0 HD2 LYS A 31 -25.452 -17.147 -9.257 1.00 65.51 H new ATOM 0 HD3 LYS A 31 -25.586 -18.474 -8.121 1.00 65.51 H new ATOM 0 HE2 LYS A 31 -25.064 -16.779 -6.265 1.00 51.44 H new ATOM 0 HE3 LYS A 31 -25.255 -15.523 -7.472 1.00 51.44 H new ATOM 0 HZ1 LYS A 31 -27.304 -15.890 -6.259 1.00 45.22 H new ATOM 0 HZ2 LYS A 31 -27.515 -16.307 -7.892 1.00 45.22 H new ATOM 0 HZ3 LYS A 31 -27.330 -17.524 -6.722 1.00 45.22 H new ATOM 514 N LEU A 32 -22.708 -16.433 -11.330 1.00 12.42 N ATOM 515 CA LEU A 32 -21.858 -15.313 -11.719 1.00 62.45 C ATOM 516 C LEU A 32 -22.333 -14.016 -11.073 1.00 62.21 C ATOM 517 O LEU A 32 -23.482 -13.612 -11.244 1.00 60.31 O ATOM 518 CB LEU A 32 -21.846 -15.163 -13.242 1.00 30.01 C ATOM 519 CG LEU A 32 -21.026 -13.997 -13.795 1.00 2.50 C ATOM 520 CD1 LEU A 32 -21.844 -12.714 -13.780 1.00 72.42 C ATOM 521 CD2 LEU A 32 -19.743 -13.820 -12.997 1.00 20.32 C ATOM 0 H LEU A 32 -23.707 -16.230 -11.348 1.00 12.42 H new ATOM 0 HA LEU A 32 -20.846 -15.520 -11.371 1.00 62.45 H new ATOM 0 HB2 LEU A 32 -21.464 -16.087 -13.675 1.00 30.01 H new ATOM 0 HB3 LEU A 32 -22.875 -15.052 -13.584 1.00 30.01 H new ATOM 0 HG LEU A 32 -20.760 -14.224 -14.828 1.00 2.50 H new ATOM 0 HD11 LEU A 32 -21.244 -11.895 -14.177 1.00 72.42 H new ATOM 0 HD12 LEU A 32 -22.734 -12.843 -14.395 1.00 72.42 H new ATOM 0 HD13 LEU A 32 -22.140 -12.483 -12.757 1.00 72.42 H new ATOM 0 HD21 LEU A 32 -19.173 -12.986 -13.405 1.00 20.32 H new ATOM 0 HD22 LEU A 32 -19.988 -13.616 -11.955 1.00 20.32 H new ATOM 0 HD23 LEU A 32 -19.148 -14.731 -13.059 1.00 20.32 H new ATOM 533 N GLU A 33 -21.440 -13.369 -10.331 1.00 12.24 N ATOM 534 CA GLU A 33 -21.769 -12.118 -9.659 1.00 51.02 C ATOM 535 C GLU A 33 -20.771 -11.023 -10.028 1.00 23.53 C ATOM 536 O GLU A 33 -19.594 -11.096 -9.672 1.00 0.00 O ATOM 537 CB GLU A 33 -21.788 -12.316 -8.142 1.00 70.35 C ATOM 538 CG GLU A 33 -20.844 -13.404 -7.659 1.00 41.24 C ATOM 539 CD GLU A 33 -20.283 -13.119 -6.280 1.00 5.20 C ATOM 540 OE1 GLU A 33 -19.911 -11.955 -6.020 1.00 14.42 O ATOM 541 OE2 GLU A 33 -20.215 -14.059 -5.460 1.00 50.51 O ATOM 0 H GLU A 33 -20.484 -13.690 -10.180 1.00 12.24 H new ATOM 0 HA GLU A 33 -22.761 -11.809 -9.989 1.00 51.02 H new ATOM 0 HB2 GLU A 33 -21.524 -11.376 -7.658 1.00 70.35 H new ATOM 0 HB3 GLU A 33 -22.803 -12.562 -7.829 1.00 70.35 H new ATOM 0 HG2 GLU A 33 -21.372 -14.357 -7.642 1.00 41.24 H new ATOM 0 HG3 GLU A 33 -20.022 -13.507 -8.367 1.00 41.24 H new ATOM 548 N PHE A 34 -21.248 -10.012 -10.745 1.00 4.34 N ATOM 549 CA PHE A 34 -20.398 -8.904 -11.163 1.00 5.52 C ATOM 550 C PHE A 34 -20.687 -7.654 -10.337 1.00 15.34 C ATOM 551 O PHE A 34 -21.841 -7.354 -10.030 1.00 4.44 O ATOM 552 CB PHE A 34 -20.607 -8.605 -12.649 1.00 60.21 C ATOM 553 CG PHE A 34 -21.912 -7.924 -12.946 1.00 13.25 C ATOM 554 CD1 PHE A 34 -23.089 -8.652 -13.019 1.00 13.24 C ATOM 555 CD2 PHE A 34 -21.963 -6.555 -13.153 1.00 12.21 C ATOM 556 CE1 PHE A 34 -24.292 -8.028 -13.291 1.00 1.14 C ATOM 557 CE2 PHE A 34 -23.164 -5.926 -13.425 1.00 45.32 C ATOM 558 CZ PHE A 34 -24.328 -6.663 -13.495 1.00 75.12 C ATOM 0 H PHE A 34 -22.219 -9.937 -11.049 1.00 4.34 H new ATOM 0 HA PHE A 34 -19.360 -9.195 -11.000 1.00 5.52 H new ATOM 0 HB2 PHE A 34 -19.790 -7.977 -13.003 1.00 60.21 H new ATOM 0 HB3 PHE A 34 -20.558 -9.538 -13.210 1.00 60.21 H new ATOM 0 HD1 PHE A 34 -23.066 -9.720 -12.861 1.00 13.24 H new ATOM 0 HD2 PHE A 34 -21.055 -5.973 -13.101 1.00 12.21 H new ATOM 0 HE1 PHE A 34 -25.202 -8.607 -13.344 1.00 1.14 H new ATOM 0 HE2 PHE A 34 -23.191 -4.858 -13.583 1.00 45.32 H new ATOM 0 HZ PHE A 34 -25.266 -6.173 -13.709 1.00 75.12 H new ATOM 568 N GLU A 35 -19.631 -6.930 -9.980 1.00 4.44 N ATOM 569 CA GLU A 35 -19.771 -5.714 -9.187 1.00 51.20 C ATOM 570 C GLU A 35 -20.677 -4.708 -9.891 1.00 44.42 C ATOM 571 O GLU A 35 -20.900 -4.775 -11.100 1.00 34.21 O ATOM 572 CB GLU A 35 -18.400 -5.088 -8.926 1.00 4.55 C ATOM 573 CG GLU A 35 -17.740 -5.578 -7.648 1.00 33.11 C ATOM 574 CD GLU A 35 -16.251 -5.811 -7.812 1.00 71.34 C ATOM 575 OE1 GLU A 35 -15.639 -5.148 -8.676 1.00 62.32 O ATOM 576 OE2 GLU A 35 -15.697 -6.656 -7.078 1.00 52.40 O ATOM 0 H GLU A 35 -18.669 -7.164 -10.227 1.00 4.44 H new ATOM 0 HA GLU A 35 -20.226 -5.982 -8.234 1.00 51.20 H new ATOM 0 HB2 GLU A 35 -17.745 -5.305 -9.770 1.00 4.55 H new ATOM 0 HB3 GLU A 35 -18.508 -4.005 -8.877 1.00 4.55 H new ATOM 0 HG2 GLU A 35 -17.904 -4.848 -6.856 1.00 33.11 H new ATOM 0 HG3 GLU A 35 -18.216 -6.506 -7.330 1.00 33.11 H new ATOM 583 N PRO A 36 -21.210 -3.750 -9.118 1.00 22.01 N ATOM 584 CA PRO A 36 -22.100 -2.711 -9.645 1.00 64.45 C ATOM 585 C PRO A 36 -21.365 -1.717 -10.538 1.00 22.15 C ATOM 586 O PRO A 36 -20.174 -1.873 -10.808 1.00 30.12 O ATOM 587 CB PRO A 36 -22.619 -2.015 -8.385 1.00 2.23 C ATOM 588 CG PRO A 36 -21.566 -2.256 -7.358 1.00 72.54 C ATOM 589 CD PRO A 36 -20.986 -3.608 -7.670 1.00 12.13 C ATOM 0 HA PRO A 36 -22.887 -3.129 -10.272 1.00 64.45 H new ATOM 0 HB2 PRO A 36 -22.769 -0.949 -8.555 1.00 2.23 H new ATOM 0 HB3 PRO A 36 -23.579 -2.426 -8.072 1.00 2.23 H new ATOM 0 HG2 PRO A 36 -20.798 -1.483 -7.397 1.00 72.54 H new ATOM 0 HG3 PRO A 36 -21.988 -2.235 -6.353 1.00 72.54 H new ATOM 0 HD2 PRO A 36 -19.926 -3.658 -7.421 1.00 12.13 H new ATOM 0 HD3 PRO A 36 -21.483 -4.398 -7.107 1.00 12.13 H new ATOM 597 N SER A 37 -22.081 -0.694 -10.992 1.00 43.23 N ATOM 598 CA SER A 37 -21.498 0.324 -11.858 1.00 4.52 C ATOM 599 C SER A 37 -21.474 1.681 -11.161 1.00 4.31 C ATOM 600 O SER A 37 -20.616 2.520 -11.439 1.00 71.41 O ATOM 601 CB SER A 37 -22.284 0.424 -13.166 1.00 23.42 C ATOM 602 OG SER A 37 -23.675 0.287 -12.937 1.00 23.54 O ATOM 0 H SER A 37 -23.067 -0.548 -10.774 1.00 43.23 H new ATOM 0 HA SER A 37 -20.472 0.031 -12.081 1.00 4.52 H new ATOM 0 HB2 SER A 37 -22.084 1.384 -13.642 1.00 23.42 H new ATOM 0 HB3 SER A 37 -21.948 -0.350 -13.856 1.00 23.42 H new ATOM 0 HG SER A 37 -24.155 0.356 -13.789 1.00 23.54 H new ATOM 608 N CYS A 38 -22.422 1.890 -10.253 1.00 32.22 N ATOM 609 CA CYS A 38 -22.512 3.145 -9.516 1.00 23.32 C ATOM 610 C CYS A 38 -22.750 4.316 -10.463 1.00 63.24 C ATOM 611 O CYS A 38 -22.121 5.367 -10.339 1.00 40.43 O ATOM 612 CB CYS A 38 -21.235 3.378 -8.708 1.00 15.13 C ATOM 613 SG CYS A 38 -21.502 4.235 -7.137 1.00 25.21 S ATOM 0 H CYS A 38 -23.139 1.206 -10.010 1.00 32.22 H new ATOM 0 HA CYS A 38 -23.358 3.077 -8.833 1.00 23.32 H new ATOM 0 HB2 CYS A 38 -20.763 2.416 -8.509 1.00 15.13 H new ATOM 0 HB3 CYS A 38 -20.536 3.957 -9.312 1.00 15.13 H new ATOM 0 HG CYS A 38 -20.365 4.384 -6.525 1.00 25.21 H new ATOM 619 N THR A 39 -23.662 4.127 -11.412 1.00 24.21 N ATOM 620 CA THR A 39 -23.981 5.166 -12.383 1.00 2.52 C ATOM 621 C THR A 39 -25.479 5.449 -12.414 1.00 4.52 C ATOM 622 O THR A 39 -26.279 4.650 -11.929 1.00 30.03 O ATOM 623 CB THR A 39 -23.514 4.775 -13.798 1.00 14.20 C ATOM 624 OG1 THR A 39 -23.940 3.442 -14.103 1.00 54.44 O ATOM 625 CG2 THR A 39 -22.001 4.868 -13.914 1.00 5.50 C ATOM 0 H THR A 39 -24.193 3.264 -11.528 1.00 24.21 H new ATOM 0 HA THR A 39 -23.451 6.065 -12.069 1.00 2.52 H new ATOM 0 HB THR A 39 -23.960 5.471 -14.509 1.00 14.20 H new ATOM 0 HG1 THR A 39 -23.641 3.201 -15.005 1.00 54.44 H new ATOM 0 HG21 THR A 39 -21.695 4.587 -14.922 1.00 5.50 H new ATOM 0 HG22 THR A 39 -21.683 5.890 -13.710 1.00 5.50 H new ATOM 0 HG23 THR A 39 -21.539 4.193 -13.193 1.00 5.50 H new ATOM 633 N GLN A 40 -25.849 6.590 -12.986 1.00 35.41 N ATOM 634 CA GLN A 40 -27.252 6.976 -13.080 1.00 10.34 C ATOM 635 C GLN A 40 -28.062 5.915 -13.817 1.00 31.02 C ATOM 636 O GLN A 40 -27.850 5.674 -15.005 1.00 62.11 O ATOM 637 CB GLN A 40 -27.385 8.323 -13.792 1.00 43.14 C ATOM 638 CG GLN A 40 -28.809 8.855 -13.827 1.00 24.52 C ATOM 639 CD GLN A 40 -28.866 10.370 -13.832 1.00 73.30 C ATOM 640 OE1 GLN A 40 -28.079 11.035 -13.158 1.00 64.51 O ATOM 641 NE2 GLN A 40 -29.803 10.925 -14.593 1.00 61.14 N ATOM 0 H GLN A 40 -25.198 7.263 -13.391 1.00 35.41 H new ATOM 0 HA GLN A 40 -27.646 7.067 -12.068 1.00 10.34 H new ATOM 0 HB2 GLN A 40 -26.746 9.052 -13.294 1.00 43.14 H new ATOM 0 HB3 GLN A 40 -27.018 8.222 -14.814 1.00 43.14 H new ATOM 0 HG2 GLN A 40 -29.314 8.473 -14.715 1.00 24.52 H new ATOM 0 HG3 GLN A 40 -29.355 8.477 -12.963 1.00 24.52 H new ATOM 0 HE21 GLN A 40 -30.434 10.336 -15.136 1.00 61.14 H new ATOM 0 HE22 GLN A 40 -29.891 11.940 -14.635 1.00 61.14 H new ATOM 650 N TYR A 41 -28.988 5.285 -13.104 1.00 71.11 N ATOM 651 CA TYR A 41 -29.828 4.247 -13.691 1.00 31.00 C ATOM 652 C TYR A 41 -31.027 4.858 -14.409 1.00 74.23 C ATOM 653 O TYR A 41 -31.828 5.576 -13.810 1.00 21.44 O ATOM 654 CB TYR A 41 -30.308 3.278 -12.609 1.00 71.21 C ATOM 655 CG TYR A 41 -30.701 1.919 -13.144 1.00 65.42 C ATOM 656 CD1 TYR A 41 -29.747 0.930 -13.352 1.00 74.00 C ATOM 657 CD2 TYR A 41 -32.026 1.625 -13.442 1.00 41.05 C ATOM 658 CE1 TYR A 41 -30.102 -0.312 -13.841 1.00 21.30 C ATOM 659 CE2 TYR A 41 -32.390 0.384 -13.931 1.00 44.52 C ATOM 660 CZ TYR A 41 -31.424 -0.580 -14.129 1.00 24.43 C ATOM 661 OH TYR A 41 -31.783 -1.816 -14.616 1.00 64.14 O ATOM 0 H TYR A 41 -29.176 5.474 -12.120 1.00 71.11 H new ATOM 0 HA TYR A 41 -29.230 3.701 -14.420 1.00 31.00 H new ATOM 0 HB2 TYR A 41 -29.518 3.153 -11.869 1.00 71.21 H new ATOM 0 HB3 TYR A 41 -31.162 3.717 -12.093 1.00 71.21 H new ATOM 0 HD1 TYR A 41 -28.711 1.136 -13.128 1.00 74.00 H new ATOM 0 HD2 TYR A 41 -32.784 2.379 -13.289 1.00 41.05 H new ATOM 0 HE1 TYR A 41 -29.348 -1.070 -13.997 1.00 21.30 H new ATOM 0 HE2 TYR A 41 -33.424 0.171 -14.157 1.00 44.52 H new ATOM 0 HH TYR A 41 -32.751 -1.840 -14.765 1.00 64.14 H new ATOM 671 N THR A 42 -31.146 4.566 -15.702 1.00 13.51 N ATOM 672 CA THR A 42 -32.246 5.086 -16.504 1.00 25.33 C ATOM 673 C THR A 42 -33.593 4.664 -15.930 1.00 3.51 C ATOM 674 O THR A 42 -33.710 3.607 -15.311 1.00 51.30 O ATOM 675 CB THR A 42 -32.151 4.606 -17.965 1.00 31.22 C ATOM 676 OG1 THR A 42 -30.796 4.688 -18.420 1.00 22.31 O ATOM 677 CG2 THR A 42 -33.045 5.441 -18.868 1.00 61.55 C ATOM 0 H THR A 42 -30.494 3.972 -16.215 1.00 13.51 H new ATOM 0 HA THR A 42 -32.168 6.173 -16.480 1.00 25.33 H new ATOM 0 HB THR A 42 -32.486 3.570 -18.006 1.00 31.22 H new ATOM 0 HG1 THR A 42 -30.744 4.380 -19.349 1.00 22.31 H new ATOM 0 HG21 THR A 42 -32.961 5.083 -19.894 1.00 61.55 H new ATOM 0 HG22 THR A 42 -34.080 5.354 -18.537 1.00 61.55 H new ATOM 0 HG23 THR A 42 -32.736 6.485 -18.821 1.00 61.55 H new ATOM 685 N GLU A 43 -34.608 5.496 -16.139 1.00 42.53 N ATOM 686 CA GLU A 43 -35.948 5.209 -15.640 1.00 64.24 C ATOM 687 C GLU A 43 -36.555 4.016 -16.373 1.00 10.15 C ATOM 688 O GLU A 43 -36.122 3.636 -17.460 1.00 64.11 O ATOM 689 CB GLU A 43 -36.850 6.433 -15.802 1.00 50.41 C ATOM 690 CG GLU A 43 -36.902 7.318 -14.567 1.00 2.10 C ATOM 691 CD GLU A 43 -36.879 8.796 -14.907 1.00 14.24 C ATOM 692 OE1 GLU A 43 -37.281 9.151 -16.035 1.00 21.45 O ATOM 693 OE2 GLU A 43 -36.460 9.597 -14.045 1.00 21.41 O ATOM 0 H GLU A 43 -34.528 6.375 -16.651 1.00 42.53 H new ATOM 0 HA GLU A 43 -35.869 4.963 -14.581 1.00 64.24 H new ATOM 0 HB2 GLU A 43 -36.498 7.024 -16.648 1.00 50.41 H new ATOM 0 HB3 GLU A 43 -37.860 6.101 -16.043 1.00 50.41 H new ATOM 0 HG2 GLU A 43 -37.806 7.093 -14.001 1.00 2.10 H new ATOM 0 HG3 GLU A 43 -36.056 7.084 -13.921 1.00 2.10 H new ATOM 700 N PRO A 44 -37.585 3.410 -15.763 1.00 31.23 N ATOM 701 CA PRO A 44 -38.275 2.252 -16.338 1.00 32.43 C ATOM 702 C PRO A 44 -39.093 2.617 -17.571 1.00 15.34 C ATOM 703 O PRO A 44 -39.152 3.783 -17.967 1.00 0.25 O ATOM 704 CB PRO A 44 -39.193 1.787 -15.204 1.00 61.32 C ATOM 705 CG PRO A 44 -39.423 3.006 -14.380 1.00 12.00 C ATOM 706 CD PRO A 44 -38.154 3.810 -14.465 1.00 32.32 C ATOM 0 HA PRO A 44 -37.575 1.489 -16.679 1.00 32.43 H new ATOM 0 HB2 PRO A 44 -40.131 1.388 -15.592 1.00 61.32 H new ATOM 0 HB3 PRO A 44 -38.728 0.995 -14.618 1.00 61.32 H new ATOM 0 HG2 PRO A 44 -40.272 3.577 -14.756 1.00 12.00 H new ATOM 0 HG3 PRO A 44 -39.649 2.742 -13.347 1.00 12.00 H new ATOM 0 HD2 PRO A 44 -38.353 4.881 -14.426 1.00 32.32 H new ATOM 0 HD3 PRO A 44 -37.477 3.581 -13.642 1.00 32.32 H new ATOM 714 N LEU A 45 -39.726 1.617 -18.174 1.00 43.14 N ATOM 715 CA LEU A 45 -40.543 1.834 -19.363 1.00 15.11 C ATOM 716 C LEU A 45 -42.008 2.032 -18.987 1.00 32.42 C ATOM 717 O LEU A 45 -42.459 1.567 -17.941 1.00 33.42 O ATOM 718 CB LEU A 45 -40.406 0.651 -20.323 1.00 42.22 C ATOM 719 CG LEU A 45 -39.937 0.988 -21.739 1.00 35.34 C ATOM 720 CD1 LEU A 45 -40.966 1.852 -22.450 1.00 72.14 C ATOM 721 CD2 LEU A 45 -38.585 1.686 -21.702 1.00 32.11 C ATOM 0 H LEU A 45 -39.689 0.648 -17.859 1.00 43.14 H new ATOM 0 HA LEU A 45 -40.188 2.738 -19.858 1.00 15.11 H new ATOM 0 HB2 LEU A 45 -39.706 -0.064 -19.890 1.00 42.22 H new ATOM 0 HB3 LEU A 45 -41.372 0.150 -20.391 1.00 42.22 H new ATOM 0 HG LEU A 45 -39.827 0.057 -22.296 1.00 35.34 H new ATOM 0 HD11 LEU A 45 -40.615 2.082 -23.456 1.00 72.14 H new ATOM 0 HD12 LEU A 45 -41.913 1.315 -22.510 1.00 72.14 H new ATOM 0 HD13 LEU A 45 -41.109 2.779 -21.895 1.00 72.14 H new ATOM 0 HD21 LEU A 45 -38.267 1.918 -22.719 1.00 32.11 H new ATOM 0 HD22 LEU A 45 -38.668 2.609 -21.128 1.00 32.11 H new ATOM 0 HD23 LEU A 45 -37.850 1.032 -21.233 1.00 32.11 H new ATOM 733 N MET A 46 -42.747 2.723 -19.849 1.00 50.44 N ATOM 734 CA MET A 46 -44.162 2.979 -19.609 1.00 62.32 C ATOM 735 C MET A 46 -44.943 1.672 -19.514 1.00 24.04 C ATOM 736 O MET A 46 -44.415 0.601 -19.812 1.00 55.11 O ATOM 737 CB MET A 46 -44.741 3.852 -20.725 1.00 64.51 C ATOM 738 CG MET A 46 -44.733 3.179 -22.088 1.00 60.02 C ATOM 739 SD MET A 46 -45.288 4.276 -23.408 1.00 22.23 S ATOM 740 CE MET A 46 -43.814 4.358 -24.422 1.00 2.45 C ATOM 0 H MET A 46 -42.389 3.116 -20.720 1.00 50.44 H new ATOM 0 HA MET A 46 -44.254 3.507 -18.660 1.00 62.32 H new ATOM 0 HB2 MET A 46 -45.765 4.123 -20.469 1.00 64.51 H new ATOM 0 HB3 MET A 46 -44.171 4.779 -20.783 1.00 64.51 H new ATOM 0 HG2 MET A 46 -43.725 2.830 -22.311 1.00 60.02 H new ATOM 0 HG3 MET A 46 -45.375 2.299 -22.058 1.00 60.02 H new ATOM 0 HE1 MET A 46 -43.999 5.002 -25.282 1.00 2.45 H new ATOM 0 HE2 MET A 46 -42.991 4.765 -23.835 1.00 2.45 H new ATOM 0 HE3 MET A 46 -43.554 3.357 -24.767 1.00 2.45 H new ATOM 750 N ASN A 47 -46.200 1.767 -19.095 1.00 40.30 N ATOM 751 CA ASN A 47 -47.052 0.592 -18.959 1.00 43.21 C ATOM 752 C ASN A 47 -47.490 0.077 -20.327 1.00 21.31 C ATOM 753 O ASN A 47 -48.523 0.489 -20.855 1.00 42.34 O ATOM 754 CB ASN A 47 -48.280 0.922 -18.109 1.00 0.24 C ATOM 755 CG ASN A 47 -47.953 1.853 -16.957 1.00 24.11 C ATOM 756 OD1 ASN A 47 -46.968 1.656 -16.246 1.00 62.23 O ATOM 757 ND2 ASN A 47 -48.780 2.874 -16.768 1.00 34.31 N ATOM 0 H ASN A 47 -46.652 2.646 -18.844 1.00 40.30 H new ATOM 0 HA ASN A 47 -46.475 -0.189 -18.464 1.00 43.21 H new ATOM 0 HB2 ASN A 47 -49.042 1.382 -18.739 1.00 0.24 H new ATOM 0 HB3 ASN A 47 -48.706 -0.002 -17.717 1.00 0.24 H new ATOM 0 HD21 ASN A 47 -48.611 3.534 -16.009 1.00 34.31 H new ATOM 0 HD22 ASN A 47 -49.585 2.999 -17.382 1.00 34.31 H new ATOM 764 N TRP A 48 -46.699 -0.828 -20.893 1.00 50.45 N ATOM 765 CA TRP A 48 -47.006 -1.400 -22.199 1.00 21.14 C ATOM 766 C TRP A 48 -46.991 -2.923 -22.142 1.00 34.30 C ATOM 767 O TRP A 48 -47.937 -3.580 -22.581 1.00 22.45 O ATOM 768 CB TRP A 48 -46.003 -0.907 -23.243 1.00 2.11 C ATOM 769 CG TRP A 48 -46.362 -1.300 -24.644 1.00 13.50 C ATOM 770 CD1 TRP A 48 -46.373 -2.564 -25.164 1.00 54.50 C ATOM 771 CD2 TRP A 48 -46.760 -0.424 -25.705 1.00 33.10 C ATOM 772 NE1 TRP A 48 -46.754 -2.525 -26.483 1.00 34.11 N ATOM 773 CE2 TRP A 48 -46.998 -1.225 -26.838 1.00 62.45 C ATOM 774 CE3 TRP A 48 -46.941 0.957 -25.806 1.00 42.33 C ATOM 775 CZ2 TRP A 48 -47.404 -0.687 -28.057 1.00 35.41 C ATOM 776 CZ3 TRP A 48 -47.344 1.490 -27.016 1.00 32.42 C ATOM 777 CH2 TRP A 48 -47.573 0.668 -28.128 1.00 75.11 C ATOM 0 H TRP A 48 -45.841 -1.181 -20.469 1.00 50.45 H new ATOM 0 HA TRP A 48 -48.006 -1.075 -22.485 1.00 21.14 H new ATOM 0 HB2 TRP A 48 -45.933 0.179 -23.185 1.00 2.11 H new ATOM 0 HB3 TRP A 48 -45.016 -1.303 -23.004 1.00 2.11 H new ATOM 0 HD1 TRP A 48 -46.120 -3.461 -24.618 1.00 54.50 H new ATOM 0 HE1 TRP A 48 -46.841 -3.334 -27.099 1.00 34.11 H new ATOM 0 HE3 TRP A 48 -46.769 1.597 -24.954 1.00 42.33 H new ATOM 0 HZ2 TRP A 48 -47.579 -1.318 -28.916 1.00 35.41 H new ATOM 0 HZ3 TRP A 48 -47.485 2.557 -27.106 1.00 32.42 H new ATOM 0 HH2 TRP A 48 -47.889 1.114 -29.059 1.00 75.11 H new ATOM 788 N THR A 49 -45.913 -3.482 -21.600 1.00 52.45 N ATOM 789 CA THR A 49 -45.776 -4.928 -21.487 1.00 31.01 C ATOM 790 C THR A 49 -46.459 -5.449 -20.227 1.00 21.11 C ATOM 791 O THR A 49 -47.134 -6.477 -20.255 1.00 1.43 O ATOM 792 CB THR A 49 -44.296 -5.353 -21.468 1.00 41.53 C ATOM 793 OG1 THR A 49 -43.611 -4.690 -20.400 1.00 3.41 O ATOM 794 CG2 THR A 49 -43.621 -5.022 -22.791 1.00 71.43 C ATOM 0 H THR A 49 -45.122 -2.954 -21.232 1.00 52.45 H new ATOM 0 HA THR A 49 -46.259 -5.360 -22.364 1.00 31.01 H new ATOM 0 HB THR A 49 -44.252 -6.431 -21.315 1.00 41.53 H new ATOM 0 HG1 THR A 49 -42.671 -4.966 -20.393 1.00 3.41 H new ATOM 0 HG21 THR A 49 -42.576 -5.331 -22.754 1.00 71.43 H new ATOM 0 HG22 THR A 49 -44.127 -5.549 -23.600 1.00 71.43 H new ATOM 0 HG23 THR A 49 -43.675 -3.948 -22.968 1.00 71.43 H new ATOM 802 N GLY A 50 -46.279 -4.731 -19.123 1.00 11.15 N ATOM 803 CA GLY A 50 -46.885 -5.137 -17.868 1.00 4.40 C ATOM 804 C GLY A 50 -46.721 -4.092 -16.781 1.00 71.13 C ATOM 805 O GLY A 50 -47.493 -3.135 -16.709 1.00 33.44 O ATOM 0 H GLY A 50 -45.725 -3.876 -19.075 1.00 11.15 H new ATOM 0 HA2 GLY A 50 -47.946 -5.329 -18.026 1.00 4.40 H new ATOM 0 HA3 GLY A 50 -46.437 -6.074 -17.538 1.00 4.40 H new ATOM 809 N SER A 51 -45.715 -4.275 -15.933 1.00 21.24 N ATOM 810 CA SER A 51 -45.456 -3.344 -14.841 1.00 15.34 C ATOM 811 C SER A 51 -44.142 -2.601 -15.060 1.00 22.42 C ATOM 812 O SER A 51 -43.445 -2.828 -16.049 1.00 63.43 O ATOM 813 CB SER A 51 -45.419 -4.089 -13.505 1.00 4.20 C ATOM 814 OG SER A 51 -44.332 -4.996 -13.458 1.00 24.22 O ATOM 0 H SER A 51 -45.065 -5.060 -15.981 1.00 21.24 H new ATOM 0 HA SER A 51 -46.265 -2.614 -14.819 1.00 15.34 H new ATOM 0 HB2 SER A 51 -45.335 -3.373 -12.688 1.00 4.20 H new ATOM 0 HB3 SER A 51 -46.354 -4.629 -13.360 1.00 4.20 H new ATOM 0 HG SER A 51 -44.329 -5.458 -12.594 1.00 24.22 H new ATOM 820 N HIS A 52 -43.809 -1.712 -14.129 1.00 34.54 N ATOM 821 CA HIS A 52 -42.578 -0.936 -14.218 1.00 51.21 C ATOM 822 C HIS A 52 -41.633 -1.281 -13.070 1.00 52.43 C ATOM 823 O HIS A 52 -40.413 -1.226 -13.221 1.00 24.42 O ATOM 824 CB HIS A 52 -42.892 0.560 -14.204 1.00 32.30 C ATOM 825 CG HIS A 52 -43.772 0.977 -13.067 1.00 3.24 C ATOM 826 ND1 HIS A 52 -45.148 0.942 -13.127 1.00 50.31 N ATOM 827 CD2 HIS A 52 -43.462 1.439 -11.831 1.00 73.23 C ATOM 828 CE1 HIS A 52 -45.649 1.366 -11.980 1.00 62.40 C ATOM 829 NE2 HIS A 52 -44.647 1.673 -11.177 1.00 62.21 N ATOM 0 H HIS A 52 -44.375 -1.512 -13.304 1.00 34.54 H new ATOM 0 HA HIS A 52 -42.086 -1.188 -15.157 1.00 51.21 H new ATOM 0 HB2 HIS A 52 -41.957 1.118 -14.153 1.00 32.30 H new ATOM 0 HB3 HIS A 52 -43.374 0.830 -15.144 1.00 32.30 H new ATOM 0 HD2 HIS A 52 -42.469 1.594 -11.435 1.00 73.23 H new ATOM 0 HE1 HIS A 52 -46.699 1.447 -11.740 1.00 62.40 H new ATOM 0 HE2 HIS A 52 -44.738 2.027 -10.225 1.00 62.21 H new ATOM 837 N ASP A 53 -42.206 -1.634 -11.925 1.00 54.23 N ATOM 838 CA ASP A 53 -41.416 -1.987 -10.753 1.00 14.45 C ATOM 839 C ASP A 53 -40.393 -3.068 -11.090 1.00 71.34 C ATOM 840 O ASP A 53 -40.678 -3.989 -11.857 1.00 33.23 O ATOM 841 CB ASP A 53 -42.327 -2.467 -9.622 1.00 34.34 C ATOM 842 CG ASP A 53 -43.199 -1.356 -9.070 1.00 74.04 C ATOM 843 OD1 ASP A 53 -43.900 -0.701 -9.868 1.00 12.12 O ATOM 844 OD2 ASP A 53 -43.180 -1.141 -7.839 1.00 62.41 O ATOM 0 H ASP A 53 -43.215 -1.683 -11.784 1.00 54.23 H new ATOM 0 HA ASP A 53 -40.881 -1.095 -10.426 1.00 14.45 H new ATOM 0 HB2 ASP A 53 -42.961 -3.275 -9.988 1.00 34.34 H new ATOM 0 HB3 ASP A 53 -41.717 -2.880 -8.818 1.00 34.34 H new ATOM 849 N THR A 54 -39.201 -2.948 -10.516 1.00 73.22 N ATOM 850 CA THR A 54 -38.135 -3.912 -10.759 1.00 34.13 C ATOM 851 C THR A 54 -37.247 -4.071 -9.529 1.00 35.41 C ATOM 852 O THR A 54 -37.355 -3.308 -8.569 1.00 75.21 O ATOM 853 CB THR A 54 -37.263 -3.496 -11.958 1.00 53.32 C ATOM 854 OG1 THR A 54 -37.165 -2.069 -12.019 1.00 63.41 O ATOM 855 CG2 THR A 54 -37.845 -4.026 -13.259 1.00 64.42 C ATOM 0 H THR A 54 -38.949 -2.192 -9.879 1.00 73.22 H new ATOM 0 HA THR A 54 -38.615 -4.865 -10.983 1.00 34.13 H new ATOM 0 HB THR A 54 -36.269 -3.923 -11.823 1.00 53.32 H new ATOM 0 HG1 THR A 54 -36.608 -1.812 -12.783 1.00 63.41 H new ATOM 0 HG21 THR A 54 -37.212 -3.720 -14.092 1.00 64.42 H new ATOM 0 HG22 THR A 54 -37.892 -5.114 -13.220 1.00 64.42 H new ATOM 0 HG23 THR A 54 -38.849 -3.624 -13.399 1.00 64.42 H new ATOM 863 N LYS A 55 -36.368 -5.067 -9.565 1.00 2.20 N ATOM 864 CA LYS A 55 -35.459 -5.326 -8.455 1.00 52.32 C ATOM 865 C LYS A 55 -34.022 -5.459 -8.949 1.00 73.31 C ATOM 866 O LYS A 55 -33.700 -6.372 -9.708 1.00 71.43 O ATOM 867 CB LYS A 55 -35.875 -6.598 -7.714 1.00 60.10 C ATOM 868 CG LYS A 55 -35.378 -6.658 -6.280 1.00 41.45 C ATOM 869 CD LYS A 55 -35.588 -8.035 -5.673 1.00 64.11 C ATOM 870 CE LYS A 55 -37.033 -8.242 -5.248 1.00 61.41 C ATOM 871 NZ LYS A 55 -37.366 -7.470 -4.018 1.00 63.33 N ATOM 0 H LYS A 55 -36.266 -5.708 -10.352 1.00 2.20 H new ATOM 0 HA LYS A 55 -35.512 -4.480 -7.769 1.00 52.32 H new ATOM 0 HB2 LYS A 55 -36.963 -6.670 -7.716 1.00 60.10 H new ATOM 0 HB3 LYS A 55 -35.497 -7.464 -8.257 1.00 60.10 H new ATOM 0 HG2 LYS A 55 -34.318 -6.404 -6.251 1.00 41.45 H new ATOM 0 HG3 LYS A 55 -35.901 -5.912 -5.681 1.00 41.45 H new ATOM 0 HD2 LYS A 55 -35.308 -8.800 -6.397 1.00 64.11 H new ATOM 0 HD3 LYS A 55 -34.933 -8.157 -4.811 1.00 64.11 H new ATOM 0 HE2 LYS A 55 -37.697 -7.939 -6.058 1.00 61.41 H new ATOM 0 HE3 LYS A 55 -37.211 -9.303 -5.070 1.00 61.41 H new ATOM 0 HZ1 LYS A 55 -38.275 -7.801 -3.636 1.00 63.33 H new ATOM 0 HZ2 LYS A 55 -36.620 -7.611 -3.307 1.00 63.33 H new ATOM 0 HZ3 LYS A 55 -37.436 -6.459 -4.251 1.00 63.33 H new ATOM 885 N GLN A 56 -33.163 -4.544 -8.511 1.00 72.13 N ATOM 886 CA GLN A 56 -31.761 -4.562 -8.909 1.00 42.32 C ATOM 887 C GLN A 56 -30.979 -5.593 -8.102 1.00 42.21 C ATOM 888 O GLN A 56 -31.184 -5.737 -6.897 1.00 14.51 O ATOM 889 CB GLN A 56 -31.140 -3.176 -8.726 1.00 24.13 C ATOM 890 CG GLN A 56 -31.305 -2.270 -9.936 1.00 33.13 C ATOM 891 CD GLN A 56 -32.758 -2.069 -10.319 1.00 13.20 C ATOM 892 OE1 GLN A 56 -33.576 -1.653 -9.499 1.00 72.20 O ATOM 893 NE2 GLN A 56 -33.087 -2.363 -11.571 1.00 64.34 N ATOM 0 H GLN A 56 -33.413 -3.782 -7.881 1.00 72.13 H new ATOM 0 HA GLN A 56 -31.712 -4.839 -9.962 1.00 42.32 H new ATOM 0 HB2 GLN A 56 -31.593 -2.696 -7.859 1.00 24.13 H new ATOM 0 HB3 GLN A 56 -30.078 -3.289 -8.509 1.00 24.13 H new ATOM 0 HG2 GLN A 56 -30.851 -1.302 -9.725 1.00 33.13 H new ATOM 0 HG3 GLN A 56 -30.766 -2.697 -10.782 1.00 33.13 H new ATOM 0 HE21 GLN A 56 -32.377 -2.705 -12.218 1.00 64.34 H new ATOM 0 HE22 GLN A 56 -34.050 -2.247 -11.886 1.00 64.34 H new ATOM 902 N GLN A 57 -30.082 -6.307 -8.774 1.00 63.30 N ATOM 903 CA GLN A 57 -29.270 -7.326 -8.119 1.00 13.32 C ATOM 904 C GLN A 57 -27.827 -7.270 -8.608 1.00 12.24 C ATOM 905 O GLN A 57 -27.534 -6.675 -9.645 1.00 54.43 O ATOM 906 CB GLN A 57 -29.855 -8.716 -8.375 1.00 21.44 C ATOM 907 CG GLN A 57 -29.650 -9.210 -9.799 1.00 43.41 C ATOM 908 CD GLN A 57 -30.686 -10.236 -10.215 1.00 5.31 C ATOM 909 OE1 GLN A 57 -30.379 -11.419 -10.362 1.00 60.24 O ATOM 910 NE2 GLN A 57 -31.920 -9.786 -10.407 1.00 62.22 N ATOM 0 H GLN A 57 -29.899 -6.199 -9.772 1.00 63.30 H new ATOM 0 HA GLN A 57 -29.278 -7.128 -7.047 1.00 13.32 H new ATOM 0 HB2 GLN A 57 -29.400 -9.426 -7.684 1.00 21.44 H new ATOM 0 HB3 GLN A 57 -30.923 -8.698 -8.156 1.00 21.44 H new ATOM 0 HG2 GLN A 57 -29.689 -8.362 -10.483 1.00 43.41 H new ATOM 0 HG3 GLN A 57 -28.655 -9.647 -9.889 1.00 43.41 H new ATOM 0 HE21 GLN A 57 -32.129 -8.797 -10.273 1.00 62.22 H new ATOM 0 HE22 GLN A 57 -32.660 -10.430 -10.688 1.00 62.22 H new ATOM 919 N VAL A 58 -26.927 -7.893 -7.853 1.00 72.32 N ATOM 920 CA VAL A 58 -25.513 -7.915 -8.210 1.00 71.11 C ATOM 921 C VAL A 58 -25.060 -9.323 -8.578 1.00 75.00 C ATOM 922 O VAL A 58 -24.133 -9.502 -9.367 1.00 63.11 O ATOM 923 CB VAL A 58 -24.636 -7.389 -7.059 1.00 32.34 C ATOM 924 CG1 VAL A 58 -24.768 -5.879 -6.931 1.00 61.34 C ATOM 925 CG2 VAL A 58 -25.004 -8.077 -5.752 1.00 54.02 C ATOM 0 H VAL A 58 -27.152 -8.389 -6.991 1.00 72.32 H new ATOM 0 HA VAL A 58 -25.395 -7.262 -9.075 1.00 71.11 H new ATOM 0 HB VAL A 58 -23.595 -7.620 -7.285 1.00 32.34 H new ATOM 0 HG11 VAL A 58 -24.141 -5.527 -6.112 1.00 61.34 H new ATOM 0 HG12 VAL A 58 -24.451 -5.406 -7.860 1.00 61.34 H new ATOM 0 HG13 VAL A 58 -25.807 -5.620 -6.729 1.00 61.34 H new ATOM 0 HG21 VAL A 58 -24.374 -7.693 -4.949 1.00 54.02 H new ATOM 0 HG22 VAL A 58 -26.050 -7.879 -5.519 1.00 54.02 H new ATOM 0 HG23 VAL A 58 -24.851 -9.152 -5.851 1.00 54.02 H new ATOM 935 N CYS A 59 -25.723 -10.320 -8.001 1.00 4.12 N ATOM 936 CA CYS A 59 -25.388 -11.715 -8.268 1.00 54.22 C ATOM 937 C CYS A 59 -26.456 -12.374 -9.136 1.00 41.31 C ATOM 938 O CYS A 59 -27.652 -12.234 -8.879 1.00 74.54 O ATOM 939 CB CYS A 59 -25.235 -12.484 -6.955 1.00 14.04 C ATOM 940 SG CYS A 59 -26.691 -12.415 -5.884 1.00 60.30 S ATOM 0 H CYS A 59 -26.494 -10.189 -7.346 1.00 4.12 H new ATOM 0 HA CYS A 59 -24.441 -11.739 -8.808 1.00 54.22 H new ATOM 0 HB2 CYS A 59 -25.013 -13.527 -7.181 1.00 14.04 H new ATOM 0 HB3 CYS A 59 -24.378 -12.086 -6.411 1.00 14.04 H new ATOM 0 HG CYS A 59 -27.762 -12.306 -6.613 1.00 60.30 H new ATOM 946 N LEU A 60 -26.015 -13.089 -10.164 1.00 62.43 N ATOM 947 CA LEU A 60 -26.933 -13.769 -11.072 1.00 23.21 C ATOM 948 C LEU A 60 -26.453 -15.186 -11.372 1.00 5.43 C ATOM 949 O LEU A 60 -25.300 -15.529 -11.110 1.00 64.42 O ATOM 950 CB LEU A 60 -27.071 -12.979 -12.375 1.00 21.23 C ATOM 951 CG LEU A 60 -25.958 -13.183 -13.405 1.00 54.40 C ATOM 952 CD1 LEU A 60 -26.372 -14.218 -14.438 1.00 31.40 C ATOM 953 CD2 LEU A 60 -25.608 -11.864 -14.078 1.00 21.22 C ATOM 0 H LEU A 60 -25.028 -13.213 -10.390 1.00 62.43 H new ATOM 0 HA LEU A 60 -27.907 -13.830 -10.586 1.00 23.21 H new ATOM 0 HB2 LEU A 60 -28.021 -13.245 -12.839 1.00 21.23 H new ATOM 0 HB3 LEU A 60 -27.122 -11.918 -12.130 1.00 21.23 H new ATOM 0 HG LEU A 60 -25.072 -13.551 -12.888 1.00 54.40 H new ATOM 0 HD11 LEU A 60 -25.569 -14.350 -15.163 1.00 31.40 H new ATOM 0 HD12 LEU A 60 -26.573 -15.167 -13.942 1.00 31.40 H new ATOM 0 HD13 LEU A 60 -27.272 -13.880 -14.952 1.00 31.40 H new ATOM 0 HD21 LEU A 60 -24.815 -12.027 -14.808 1.00 21.22 H new ATOM 0 HD22 LEU A 60 -26.489 -11.468 -14.583 1.00 21.22 H new ATOM 0 HD23 LEU A 60 -25.269 -11.151 -13.327 1.00 21.22 H new ATOM 965 N SER A 61 -27.343 -16.002 -11.925 1.00 34.33 N ATOM 966 CA SER A 61 -27.011 -17.383 -12.259 1.00 14.41 C ATOM 967 C SER A 61 -27.113 -17.616 -13.763 1.00 62.53 C ATOM 968 O SER A 61 -28.072 -17.190 -14.407 1.00 32.15 O ATOM 969 CB SER A 61 -27.941 -18.346 -11.518 1.00 23.14 C ATOM 970 OG SER A 61 -27.981 -18.052 -10.132 1.00 70.50 O ATOM 0 H SER A 61 -28.300 -15.732 -12.152 1.00 34.33 H new ATOM 0 HA SER A 61 -25.983 -17.570 -11.948 1.00 14.41 H new ATOM 0 HB2 SER A 61 -28.946 -18.280 -11.936 1.00 23.14 H new ATOM 0 HB3 SER A 61 -27.601 -19.371 -11.666 1.00 23.14 H new ATOM 0 HG SER A 61 -28.583 -18.680 -9.682 1.00 70.50 H new ATOM 976 N PHE A 62 -26.114 -18.297 -14.318 1.00 54.15 N ATOM 977 CA PHE A 62 -26.089 -18.587 -15.747 1.00 1.02 C ATOM 978 C PHE A 62 -26.273 -20.080 -16.001 1.00 74.13 C ATOM 979 O PHE A 62 -26.025 -20.907 -15.124 1.00 25.12 O ATOM 980 CB PHE A 62 -24.771 -18.113 -16.362 1.00 55.52 C ATOM 981 CG PHE A 62 -24.819 -16.698 -16.866 1.00 14.50 C ATOM 982 CD1 PHE A 62 -25.655 -16.351 -17.916 1.00 23.44 C ATOM 983 CD2 PHE A 62 -24.031 -15.716 -16.290 1.00 3.44 C ATOM 984 CE1 PHE A 62 -25.701 -15.051 -18.382 1.00 10.51 C ATOM 985 CE2 PHE A 62 -24.073 -14.413 -16.751 1.00 35.52 C ATOM 986 CZ PHE A 62 -24.910 -14.081 -17.799 1.00 15.35 C ATOM 0 H PHE A 62 -25.313 -18.657 -13.800 1.00 54.15 H new ATOM 0 HA PHE A 62 -26.914 -18.051 -16.216 1.00 1.02 H new ATOM 0 HB2 PHE A 62 -23.980 -18.198 -15.617 1.00 55.52 H new ATOM 0 HB3 PHE A 62 -24.505 -18.775 -17.186 1.00 55.52 H new ATOM 0 HD1 PHE A 62 -26.277 -17.105 -18.375 1.00 23.44 H new ATOM 0 HD2 PHE A 62 -23.375 -15.971 -15.470 1.00 3.44 H new ATOM 0 HE1 PHE A 62 -26.355 -14.794 -19.202 1.00 10.51 H new ATOM 0 HE2 PHE A 62 -23.453 -13.657 -16.293 1.00 35.52 H new ATOM 0 HZ PHE A 62 -24.945 -13.064 -18.162 1.00 15.35 H new ATOM 996 N THR A 63 -26.713 -20.418 -17.210 1.00 35.51 N ATOM 997 CA THR A 63 -26.934 -21.810 -17.581 1.00 4.24 C ATOM 998 C THR A 63 -25.617 -22.576 -17.649 1.00 71.31 C ATOM 999 O THR A 63 -25.488 -23.662 -17.081 1.00 43.44 O ATOM 1000 CB THR A 63 -27.651 -21.923 -18.939 1.00 44.25 C ATOM 1001 OG1 THR A 63 -28.460 -20.764 -19.164 1.00 44.41 O ATOM 1002 CG2 THR A 63 -28.518 -23.172 -18.992 1.00 51.51 C ATOM 0 H THR A 63 -26.923 -19.746 -17.948 1.00 35.51 H new ATOM 0 HA THR A 63 -27.566 -22.247 -16.808 1.00 4.24 H new ATOM 0 HB THR A 63 -26.893 -21.993 -19.720 1.00 44.25 H new ATOM 0 HG1 THR A 63 -29.169 -20.724 -18.489 1.00 44.41 H new ATOM 0 HG21 THR A 63 -29.014 -23.230 -19.961 1.00 51.51 H new ATOM 0 HG22 THR A 63 -27.894 -24.054 -18.851 1.00 51.51 H new ATOM 0 HG23 THR A 63 -29.268 -23.128 -18.202 1.00 51.51 H new ATOM 1010 N THR A 64 -24.641 -22.004 -18.346 1.00 61.25 N ATOM 1011 CA THR A 64 -23.333 -22.633 -18.489 1.00 32.31 C ATOM 1012 C THR A 64 -22.212 -21.649 -18.176 1.00 14.20 C ATOM 1013 O THR A 64 -22.420 -20.436 -18.179 1.00 54.23 O ATOM 1014 CB THR A 64 -23.130 -23.190 -19.911 1.00 14.30 C ATOM 1015 OG1 THR A 64 -23.866 -22.404 -20.855 1.00 61.11 O ATOM 1016 CG2 THR A 64 -23.578 -24.642 -19.993 1.00 14.41 C ATOM 0 H THR A 64 -24.731 -21.106 -18.821 1.00 61.25 H new ATOM 0 HA THR A 64 -23.299 -23.457 -17.776 1.00 32.31 H new ATOM 0 HB THR A 64 -22.067 -23.141 -20.148 1.00 14.30 H new ATOM 0 HG1 THR A 64 -23.730 -22.764 -21.756 1.00 61.11 H new ATOM 0 HG21 THR A 64 -23.425 -25.013 -21.006 1.00 14.41 H new ATOM 0 HG22 THR A 64 -22.995 -25.243 -19.295 1.00 14.41 H new ATOM 0 HG23 THR A 64 -24.635 -24.712 -19.737 1.00 14.41 H new ATOM 1024 N ARG A 65 -21.024 -22.179 -17.908 1.00 11.41 N ATOM 1025 CA ARG A 65 -19.870 -21.346 -17.592 1.00 1.41 C ATOM 1026 C ARG A 65 -19.591 -20.355 -18.717 1.00 42.31 C ATOM 1027 O ARG A 65 -19.386 -19.166 -18.474 1.00 20.34 O ATOM 1028 CB ARG A 65 -18.636 -22.218 -17.347 1.00 74.15 C ATOM 1029 CG ARG A 65 -18.324 -23.166 -18.494 1.00 52.22 C ATOM 1030 CD ARG A 65 -17.753 -24.482 -17.989 1.00 11.33 C ATOM 1031 NE ARG A 65 -18.120 -25.603 -18.849 1.00 31.23 N ATOM 1032 CZ ARG A 65 -17.706 -26.849 -18.649 1.00 21.23 C ATOM 1033 NH1 ARG A 65 -16.915 -27.132 -17.622 1.00 44.41 N ATOM 1034 NH2 ARG A 65 -18.083 -27.816 -19.475 1.00 64.24 N ATOM 0 H ARG A 65 -20.835 -23.181 -17.903 1.00 11.41 H new ATOM 0 HA ARG A 65 -20.096 -20.785 -16.685 1.00 1.41 H new ATOM 0 HB2 ARG A 65 -17.774 -21.573 -17.175 1.00 74.15 H new ATOM 0 HB3 ARG A 65 -18.787 -22.799 -16.437 1.00 74.15 H new ATOM 0 HG2 ARG A 65 -19.232 -23.358 -19.066 1.00 52.22 H new ATOM 0 HG3 ARG A 65 -17.612 -22.696 -19.173 1.00 52.22 H new ATOM 0 HD2 ARG A 65 -16.667 -24.408 -17.933 1.00 11.33 H new ATOM 0 HD3 ARG A 65 -18.112 -24.669 -16.977 1.00 11.33 H new ATOM 0 HE ARG A 65 -18.728 -25.419 -19.647 1.00 31.23 H new ATOM 0 HH11 ARG A 65 -16.623 -26.392 -16.984 1.00 44.41 H new ATOM 0 HH12 ARG A 65 -16.599 -28.090 -17.471 1.00 44.41 H new ATOM 0 HH21 ARG A 65 -18.692 -27.603 -20.265 1.00 64.24 H new ATOM 0 HH22 ARG A 65 -17.764 -28.772 -19.320 1.00 64.24 H new ATOM 1048 N GLU A 66 -19.583 -20.853 -19.950 1.00 51.20 N ATOM 1049 CA GLU A 66 -19.328 -20.011 -21.113 1.00 13.42 C ATOM 1050 C GLU A 66 -20.244 -18.791 -21.112 1.00 51.05 C ATOM 1051 O GLU A 66 -19.866 -17.715 -21.578 1.00 60.22 O ATOM 1052 CB GLU A 66 -19.524 -20.809 -22.403 1.00 31.05 C ATOM 1053 CG GLU A 66 -18.811 -20.211 -23.603 1.00 34.41 C ATOM 1054 CD GLU A 66 -17.360 -20.644 -23.695 1.00 32.31 C ATOM 1055 OE1 GLU A 66 -17.097 -21.709 -24.292 1.00 63.04 O ATOM 1056 OE2 GLU A 66 -16.490 -19.919 -23.171 1.00 1.13 O ATOM 0 H GLU A 66 -19.750 -21.835 -20.169 1.00 51.20 H new ATOM 0 HA GLU A 66 -18.295 -19.668 -21.061 1.00 13.42 H new ATOM 0 HB2 GLU A 66 -19.166 -21.827 -22.248 1.00 31.05 H new ATOM 0 HB3 GLU A 66 -20.590 -20.876 -22.621 1.00 31.05 H new ATOM 0 HG2 GLU A 66 -19.332 -20.505 -24.514 1.00 34.41 H new ATOM 0 HG3 GLU A 66 -18.859 -19.124 -23.545 1.00 34.41 H new ATOM 1063 N LEU A 67 -21.453 -18.965 -20.587 1.00 23.12 N ATOM 1064 CA LEU A 67 -22.425 -17.880 -20.526 1.00 12.20 C ATOM 1065 C LEU A 67 -21.911 -16.737 -19.656 1.00 13.32 C ATOM 1066 O LEU A 67 -22.109 -15.565 -19.974 1.00 31.10 O ATOM 1067 CB LEU A 67 -23.758 -18.393 -19.980 1.00 30.15 C ATOM 1068 CG LEU A 67 -24.990 -18.108 -20.838 1.00 51.33 C ATOM 1069 CD1 LEU A 67 -25.075 -16.628 -21.176 1.00 44.14 C ATOM 1070 CD2 LEU A 67 -24.961 -18.945 -22.109 1.00 21.35 C ATOM 0 H LEU A 67 -21.783 -19.848 -20.197 1.00 23.12 H new ATOM 0 HA LEU A 67 -22.576 -17.503 -21.537 1.00 12.20 H new ATOM 0 HB2 LEU A 67 -23.679 -19.471 -19.840 1.00 30.15 H new ATOM 0 HB3 LEU A 67 -23.917 -17.954 -18.995 1.00 30.15 H new ATOM 0 HG LEU A 67 -25.877 -18.381 -20.266 1.00 51.33 H new ATOM 0 HD11 LEU A 67 -25.959 -16.445 -21.787 1.00 44.14 H new ATOM 0 HD12 LEU A 67 -25.144 -16.048 -20.256 1.00 44.14 H new ATOM 0 HD13 LEU A 67 -24.184 -16.329 -21.728 1.00 44.14 H new ATOM 0 HD21 LEU A 67 -25.846 -18.729 -22.707 1.00 21.35 H new ATOM 0 HD22 LEU A 67 -24.067 -18.703 -22.683 1.00 21.35 H new ATOM 0 HD23 LEU A 67 -24.949 -20.003 -21.848 1.00 21.35 H new ATOM 1082 N ALA A 68 -21.250 -17.088 -18.557 1.00 64.14 N ATOM 1083 CA ALA A 68 -20.705 -16.091 -17.644 1.00 63.00 C ATOM 1084 C ALA A 68 -19.512 -15.372 -18.265 1.00 63.31 C ATOM 1085 O ALA A 68 -19.516 -14.148 -18.403 1.00 31.32 O ATOM 1086 CB ALA A 68 -20.304 -16.744 -16.329 1.00 71.22 C ATOM 0 H ALA A 68 -21.079 -18.054 -18.278 1.00 64.14 H new ATOM 0 HA ALA A 68 -21.480 -15.350 -17.448 1.00 63.00 H new ATOM 0 HB1 ALA A 68 -19.899 -15.988 -15.656 1.00 71.22 H new ATOM 0 HB2 ALA A 68 -21.178 -17.206 -15.871 1.00 71.22 H new ATOM 0 HB3 ALA A 68 -19.547 -17.506 -16.517 1.00 71.22 H new ATOM 1092 N ILE A 69 -18.492 -16.139 -18.637 1.00 52.24 N ATOM 1093 CA ILE A 69 -17.294 -15.574 -19.243 1.00 43.02 C ATOM 1094 C ILE A 69 -17.639 -14.745 -20.475 1.00 42.54 C ATOM 1095 O ILE A 69 -16.992 -13.738 -20.761 1.00 24.25 O ATOM 1096 CB ILE A 69 -16.293 -16.674 -19.642 1.00 60.24 C ATOM 1097 CG1 ILE A 69 -15.891 -17.498 -18.418 1.00 11.23 C ATOM 1098 CG2 ILE A 69 -15.066 -16.060 -20.301 1.00 63.12 C ATOM 1099 CD1 ILE A 69 -16.503 -18.881 -18.393 1.00 22.44 C ATOM 0 H ILE A 69 -18.472 -17.153 -18.529 1.00 52.24 H new ATOM 0 HA ILE A 69 -16.835 -14.931 -18.493 1.00 43.02 H new ATOM 0 HB ILE A 69 -16.773 -17.338 -20.361 1.00 60.24 H new ATOM 0 HG12 ILE A 69 -14.805 -17.590 -18.392 1.00 11.23 H new ATOM 0 HG13 ILE A 69 -16.187 -16.962 -17.516 1.00 11.23 H new ATOM 0 HG21 ILE A 69 -14.368 -16.850 -20.577 1.00 63.12 H new ATOM 0 HG22 ILE A 69 -15.368 -15.514 -21.195 1.00 63.12 H new ATOM 0 HG23 ILE A 69 -14.582 -15.376 -19.604 1.00 63.12 H new ATOM 0 HD11 ILE A 69 -16.174 -19.408 -17.497 1.00 22.44 H new ATOM 0 HD12 ILE A 69 -17.590 -18.798 -18.387 1.00 22.44 H new ATOM 0 HD13 ILE A 69 -16.186 -19.435 -19.277 1.00 22.44 H new ATOM 1111 N ALA A 70 -18.665 -15.174 -21.202 1.00 20.52 N ATOM 1112 CA ALA A 70 -19.100 -14.469 -22.402 1.00 23.42 C ATOM 1113 C ALA A 70 -19.663 -13.095 -22.058 1.00 2.04 C ATOM 1114 O ALA A 70 -19.625 -12.176 -22.876 1.00 40.11 O ATOM 1115 CB ALA A 70 -20.137 -15.293 -23.151 1.00 31.21 C ATOM 0 H ALA A 70 -19.211 -16.007 -20.981 1.00 20.52 H new ATOM 0 HA ALA A 70 -18.231 -14.326 -23.044 1.00 23.42 H new ATOM 0 HB1 ALA A 70 -20.453 -14.755 -24.045 1.00 31.21 H new ATOM 0 HB2 ALA A 70 -19.702 -16.250 -23.439 1.00 31.21 H new ATOM 0 HB3 ALA A 70 -20.999 -15.465 -22.507 1.00 31.21 H new ATOM 1121 N TYR A 71 -20.183 -12.961 -20.843 1.00 70.12 N ATOM 1122 CA TYR A 71 -20.756 -11.699 -20.392 1.00 54.52 C ATOM 1123 C TYR A 71 -19.660 -10.715 -19.992 1.00 60.11 C ATOM 1124 O TYR A 71 -19.679 -9.552 -20.392 1.00 52.55 O ATOM 1125 CB TYR A 71 -21.700 -11.935 -19.211 1.00 22.42 C ATOM 1126 CG TYR A 71 -22.409 -10.685 -18.743 1.00 1.32 C ATOM 1127 CD1 TYR A 71 -22.946 -9.784 -19.655 1.00 24.34 C ATOM 1128 CD2 TYR A 71 -22.542 -10.404 -17.388 1.00 64.34 C ATOM 1129 CE1 TYR A 71 -23.594 -8.641 -19.231 1.00 11.31 C ATOM 1130 CE2 TYR A 71 -23.190 -9.263 -16.956 1.00 23.10 C ATOM 1131 CZ TYR A 71 -23.714 -8.385 -17.881 1.00 43.10 C ATOM 1132 OH TYR A 71 -24.359 -7.246 -17.454 1.00 14.11 O ATOM 0 H TYR A 71 -20.219 -13.711 -20.153 1.00 70.12 H new ATOM 0 HA TYR A 71 -21.321 -11.270 -21.220 1.00 54.52 H new ATOM 0 HB2 TYR A 71 -22.444 -12.680 -19.495 1.00 22.42 H new ATOM 0 HB3 TYR A 71 -21.131 -12.353 -18.380 1.00 22.42 H new ATOM 0 HD1 TYR A 71 -22.855 -9.981 -20.713 1.00 24.34 H new ATOM 0 HD2 TYR A 71 -22.132 -11.089 -16.661 1.00 64.34 H new ATOM 0 HE1 TYR A 71 -24.005 -7.951 -19.953 1.00 11.31 H new ATOM 0 HE2 TYR A 71 -23.286 -9.060 -15.900 1.00 23.10 H new ATOM 0 HH TYR A 71 -24.357 -7.217 -16.474 1.00 14.11 H new ATOM 1142 N ALA A 72 -18.706 -11.192 -19.200 1.00 30.41 N ATOM 1143 CA ALA A 72 -17.600 -10.358 -18.747 1.00 44.45 C ATOM 1144 C ALA A 72 -16.698 -9.962 -19.912 1.00 73.52 C ATOM 1145 O ALA A 72 -16.474 -8.779 -20.164 1.00 14.43 O ATOM 1146 CB ALA A 72 -16.797 -11.080 -17.677 1.00 31.41 C ATOM 0 H ALA A 72 -18.677 -12.153 -18.858 1.00 30.41 H new ATOM 0 HA ALA A 72 -18.017 -9.447 -18.318 1.00 44.45 H new ATOM 0 HB1 ALA A 72 -15.974 -10.445 -17.349 1.00 31.41 H new ATOM 0 HB2 ALA A 72 -17.442 -11.306 -16.828 1.00 31.41 H new ATOM 0 HB3 ALA A 72 -16.398 -12.008 -18.086 1.00 31.41 H new ATOM 1152 N VAL A 73 -16.181 -10.962 -20.619 1.00 30.31 N ATOM 1153 CA VAL A 73 -15.303 -10.720 -21.758 1.00 55.43 C ATOM 1154 C VAL A 73 -15.936 -9.741 -22.741 1.00 33.05 C ATOM 1155 O VAL A 73 -15.242 -8.947 -23.375 1.00 5.20 O ATOM 1156 CB VAL A 73 -14.968 -12.028 -22.497 1.00 61.01 C ATOM 1157 CG1 VAL A 73 -14.091 -11.748 -23.709 1.00 54.32 C ATOM 1158 CG2 VAL A 73 -14.291 -13.014 -21.557 1.00 1.53 C ATOM 0 H VAL A 73 -16.355 -11.948 -20.423 1.00 30.31 H new ATOM 0 HA VAL A 73 -14.383 -10.290 -21.362 1.00 55.43 H new ATOM 0 HB VAL A 73 -15.899 -12.475 -22.846 1.00 61.01 H new ATOM 0 HG11 VAL A 73 -13.865 -12.685 -24.219 1.00 54.32 H new ATOM 0 HG12 VAL A 73 -14.617 -11.081 -24.392 1.00 54.32 H new ATOM 0 HG13 VAL A 73 -13.163 -11.278 -23.385 1.00 54.32 H new ATOM 0 HG21 VAL A 73 -14.062 -13.933 -22.097 1.00 1.53 H new ATOM 0 HG22 VAL A 73 -13.368 -12.578 -21.175 1.00 1.53 H new ATOM 0 HG23 VAL A 73 -14.957 -13.239 -20.724 1.00 1.53 H new ATOM 1168 N ALA A 74 -17.258 -9.804 -22.862 1.00 3.45 N ATOM 1169 CA ALA A 74 -17.986 -8.921 -23.765 1.00 4.21 C ATOM 1170 C ALA A 74 -17.736 -7.457 -23.420 1.00 44.42 C ATOM 1171 O ALA A 74 -17.734 -6.593 -24.299 1.00 20.44 O ATOM 1172 CB ALA A 74 -19.475 -9.229 -23.719 1.00 25.41 C ATOM 0 H ALA A 74 -17.847 -10.458 -22.346 1.00 3.45 H new ATOM 0 HA ALA A 74 -17.621 -9.097 -24.777 1.00 4.21 H new ATOM 0 HB1 ALA A 74 -20.006 -8.562 -24.398 1.00 25.41 H new ATOM 0 HB2 ALA A 74 -19.642 -10.263 -24.021 1.00 25.41 H new ATOM 0 HB3 ALA A 74 -19.845 -9.083 -22.704 1.00 25.41 H new ATOM 1178 N HIS A 75 -17.527 -7.183 -22.137 1.00 55.53 N ATOM 1179 CA HIS A 75 -17.277 -5.821 -21.677 1.00 14.22 C ATOM 1180 C HIS A 75 -15.881 -5.698 -21.075 1.00 30.20 C ATOM 1181 O HIS A 75 -15.614 -4.803 -20.274 1.00 10.31 O ATOM 1182 CB HIS A 75 -18.328 -5.408 -20.645 1.00 3.22 C ATOM 1183 CG HIS A 75 -18.649 -3.944 -20.670 1.00 31.33 C ATOM 1184 ND1 HIS A 75 -19.641 -3.406 -21.462 1.00 42.40 N ATOM 1185 CD2 HIS A 75 -18.104 -2.907 -19.993 1.00 22.34 C ATOM 1186 CE1 HIS A 75 -19.690 -2.099 -21.272 1.00 75.31 C ATOM 1187 NE2 HIS A 75 -18.768 -1.771 -20.385 1.00 52.11 N ATOM 0 H HIS A 75 -17.526 -7.885 -21.397 1.00 55.53 H new ATOM 0 HA HIS A 75 -17.342 -5.156 -22.538 1.00 14.22 H new ATOM 0 HB2 HIS A 75 -19.242 -5.975 -20.822 1.00 3.22 H new ATOM 0 HB3 HIS A 75 -17.974 -5.677 -19.650 1.00 3.22 H new ATOM 0 HD2 HIS A 75 -17.297 -2.963 -19.277 1.00 22.34 H new ATOM 0 HE1 HIS A 75 -20.369 -1.415 -21.759 1.00 75.31 H new ATOM 0 HE2 HIS A 75 -18.580 -0.827 -20.046 1.00 52.11 H new ATOM 1195 N LYS A 76 -14.992 -6.606 -21.466 1.00 15.35 N ATOM 1196 CA LYS A 76 -13.622 -6.601 -20.966 1.00 1.44 C ATOM 1197 C LYS A 76 -13.600 -6.554 -19.441 1.00 1.50 C ATOM 1198 O LYS A 76 -12.907 -5.727 -18.847 1.00 23.40 O ATOM 1199 CB LYS A 76 -12.855 -5.405 -21.535 1.00 4.04 C ATOM 1200 CG LYS A 76 -12.589 -5.507 -23.027 1.00 75.13 C ATOM 1201 CD LYS A 76 -11.841 -4.291 -23.545 1.00 12.44 C ATOM 1202 CE LYS A 76 -12.740 -3.064 -23.597 1.00 3.34 C ATOM 1203 NZ LYS A 76 -12.166 -1.992 -24.458 1.00 34.51 N ATOM 0 H LYS A 76 -15.196 -7.355 -22.128 1.00 15.35 H new ATOM 0 HA LYS A 76 -13.139 -7.523 -21.291 1.00 1.44 H new ATOM 0 HB2 LYS A 76 -13.420 -4.494 -21.337 1.00 4.04 H new ATOM 0 HB3 LYS A 76 -11.904 -5.311 -21.011 1.00 4.04 H new ATOM 0 HG2 LYS A 76 -12.009 -6.407 -23.233 1.00 75.13 H new ATOM 0 HG3 LYS A 76 -13.535 -5.608 -23.560 1.00 75.13 H new ATOM 0 HD2 LYS A 76 -10.984 -4.089 -22.902 1.00 12.44 H new ATOM 0 HD3 LYS A 76 -11.450 -4.500 -24.541 1.00 12.44 H new ATOM 0 HE2 LYS A 76 -13.721 -3.349 -23.977 1.00 3.34 H new ATOM 0 HE3 LYS A 76 -12.888 -2.679 -22.588 1.00 3.34 H new ATOM 0 HZ1 LYS A 76 -12.808 -1.174 -24.468 1.00 34.51 H new ATOM 0 HZ2 LYS A 76 -11.241 -1.702 -24.081 1.00 34.51 H new ATOM 0 HZ3 LYS A 76 -12.048 -2.351 -25.427 1.00 34.51 H new ATOM 1217 N ILE A 77 -14.359 -7.445 -18.815 1.00 33.43 N ATOM 1218 CA ILE A 77 -14.423 -7.507 -17.360 1.00 73.32 C ATOM 1219 C ILE A 77 -13.604 -8.675 -16.823 1.00 33.11 C ATOM 1220 O ILE A 77 -13.609 -9.766 -17.395 1.00 10.31 O ATOM 1221 CB ILE A 77 -15.875 -7.642 -16.865 1.00 74.52 C ATOM 1222 CG1 ILE A 77 -16.726 -6.481 -17.387 1.00 25.40 C ATOM 1223 CG2 ILE A 77 -15.915 -7.694 -15.346 1.00 4.13 C ATOM 1224 CD1 ILE A 77 -18.214 -6.712 -17.248 1.00 21.32 C ATOM 0 H ILE A 77 -14.939 -8.135 -19.292 1.00 33.43 H new ATOM 0 HA ILE A 77 -14.006 -6.572 -16.986 1.00 73.32 H new ATOM 0 HB ILE A 77 -16.289 -8.573 -17.251 1.00 74.52 H new ATOM 0 HG12 ILE A 77 -16.456 -5.573 -16.849 1.00 25.40 H new ATOM 0 HG13 ILE A 77 -16.489 -6.311 -18.437 1.00 25.40 H new ATOM 0 HG21 ILE A 77 -16.948 -7.789 -15.012 1.00 4.13 H new ATOM 0 HG22 ILE A 77 -15.340 -8.551 -14.996 1.00 4.13 H new ATOM 0 HG23 ILE A 77 -15.485 -6.779 -14.939 1.00 4.13 H new ATOM 0 HD11 ILE A 77 -18.754 -5.849 -17.638 1.00 21.32 H new ATOM 0 HD12 ILE A 77 -18.498 -7.602 -17.810 1.00 21.32 H new ATOM 0 HD13 ILE A 77 -18.464 -6.852 -16.196 1.00 21.32 H new ATOM 1236 N ASP A 78 -12.902 -8.440 -15.719 1.00 31.22 N ATOM 1237 CA ASP A 78 -12.080 -9.474 -15.102 1.00 21.14 C ATOM 1238 C ASP A 78 -12.951 -10.542 -14.446 1.00 5.12 C ATOM 1239 O ASP A 78 -13.484 -10.339 -13.356 1.00 11.23 O ATOM 1240 CB ASP A 78 -11.141 -8.857 -14.064 1.00 42.43 C ATOM 1241 CG ASP A 78 -10.124 -9.851 -13.538 1.00 74.50 C ATOM 1242 OD1 ASP A 78 -9.260 -10.289 -14.327 1.00 22.23 O ATOM 1243 OD2 ASP A 78 -10.193 -10.191 -12.338 1.00 74.14 O ATOM 0 H ASP A 78 -12.886 -7.543 -15.234 1.00 31.22 H new ATOM 0 HA ASP A 78 -11.485 -9.945 -15.884 1.00 21.14 H new ATOM 0 HB2 ASP A 78 -10.620 -8.009 -14.509 1.00 42.43 H new ATOM 0 HB3 ASP A 78 -11.729 -8.469 -13.232 1.00 42.43 H new ATOM 1248 N TYR A 79 -13.090 -11.679 -15.118 1.00 63.33 N ATOM 1249 CA TYR A 79 -13.898 -12.778 -14.604 1.00 11.52 C ATOM 1250 C TYR A 79 -13.019 -13.845 -13.960 1.00 32.21 C ATOM 1251 O TYR A 79 -12.026 -14.284 -14.541 1.00 35.22 O ATOM 1252 CB TYR A 79 -14.730 -13.396 -15.727 1.00 71.35 C ATOM 1253 CG TYR A 79 -13.898 -14.029 -16.820 1.00 32.43 C ATOM 1254 CD1 TYR A 79 -13.465 -13.286 -17.910 1.00 51.22 C ATOM 1255 CD2 TYR A 79 -13.544 -15.371 -16.760 1.00 73.33 C ATOM 1256 CE1 TYR A 79 -12.704 -13.860 -18.910 1.00 70.45 C ATOM 1257 CE2 TYR A 79 -12.783 -15.954 -17.755 1.00 51.10 C ATOM 1258 CZ TYR A 79 -12.366 -15.195 -18.829 1.00 13.52 C ATOM 1259 OH TYR A 79 -11.608 -15.770 -19.822 1.00 23.13 O ATOM 0 H TYR A 79 -12.653 -11.864 -16.021 1.00 63.33 H new ATOM 0 HA TYR A 79 -14.568 -12.378 -13.843 1.00 11.52 H new ATOM 0 HB2 TYR A 79 -15.393 -14.151 -15.304 1.00 71.35 H new ATOM 0 HB3 TYR A 79 -15.364 -12.625 -16.165 1.00 71.35 H new ATOM 0 HD1 TYR A 79 -13.728 -12.241 -17.977 1.00 51.22 H new ATOM 0 HD2 TYR A 79 -13.869 -15.969 -15.921 1.00 73.33 H new ATOM 0 HE1 TYR A 79 -12.375 -13.267 -19.751 1.00 70.45 H new ATOM 0 HE2 TYR A 79 -12.516 -16.999 -17.692 1.00 51.10 H new ATOM 0 HH TYR A 79 -11.458 -16.716 -19.613 1.00 23.13 H new ATOM 1269 N THR A 80 -13.392 -14.260 -12.753 1.00 13.13 N ATOM 1270 CA THR A 80 -12.640 -15.275 -12.027 1.00 20.54 C ATOM 1271 C THR A 80 -13.461 -16.548 -11.852 1.00 72.53 C ATOM 1272 O THR A 80 -14.573 -16.513 -11.327 1.00 35.10 O ATOM 1273 CB THR A 80 -12.201 -14.767 -10.641 1.00 71.15 C ATOM 1274 OG1 THR A 80 -11.529 -15.810 -9.927 1.00 4.35 O ATOM 1275 CG2 THR A 80 -13.399 -14.286 -9.837 1.00 10.40 C ATOM 0 H THR A 80 -14.211 -13.908 -12.258 1.00 13.13 H new ATOM 0 HA THR A 80 -11.754 -15.496 -12.622 1.00 20.54 H new ATOM 0 HB THR A 80 -11.519 -13.929 -10.785 1.00 71.15 H new ATOM 0 HG1 THR A 80 -11.252 -15.478 -9.048 1.00 4.35 H new ATOM 0 HG21 THR A 80 -13.064 -13.932 -8.862 1.00 10.40 H new ATOM 0 HG22 THR A 80 -13.891 -13.472 -10.369 1.00 10.40 H new ATOM 0 HG23 THR A 80 -14.101 -15.109 -9.703 1.00 10.40 H new ATOM 1283 N VAL A 81 -12.905 -17.671 -12.295 1.00 2.15 N ATOM 1284 CA VAL A 81 -13.586 -18.957 -12.186 1.00 3.45 C ATOM 1285 C VAL A 81 -13.263 -19.637 -10.860 1.00 54.00 C ATOM 1286 O VAL A 81 -12.098 -19.888 -10.545 1.00 13.20 O ATOM 1287 CB VAL A 81 -13.198 -19.897 -13.342 1.00 1.13 C ATOM 1288 CG1 VAL A 81 -13.876 -21.249 -13.180 1.00 23.01 C ATOM 1289 CG2 VAL A 81 -13.552 -19.269 -14.680 1.00 72.34 C ATOM 0 H VAL A 81 -11.985 -17.717 -12.733 1.00 2.15 H new ATOM 0 HA VAL A 81 -14.656 -18.756 -12.237 1.00 3.45 H new ATOM 0 HB VAL A 81 -12.120 -20.053 -13.315 1.00 1.13 H new ATOM 0 HG11 VAL A 81 -13.590 -21.901 -14.006 1.00 23.01 H new ATOM 0 HG12 VAL A 81 -13.566 -21.701 -12.238 1.00 23.01 H new ATOM 0 HG13 VAL A 81 -14.958 -21.116 -13.180 1.00 23.01 H new ATOM 0 HG21 VAL A 81 -13.271 -19.947 -15.486 1.00 72.34 H new ATOM 0 HG22 VAL A 81 -14.625 -19.081 -14.721 1.00 72.34 H new ATOM 0 HG23 VAL A 81 -13.014 -18.328 -14.794 1.00 72.34 H new ATOM 1299 N LEU A 82 -14.301 -19.936 -10.087 1.00 62.31 N ATOM 1300 CA LEU A 82 -14.130 -20.590 -8.794 1.00 62.55 C ATOM 1301 C LEU A 82 -14.614 -22.036 -8.847 1.00 1.11 C ATOM 1302 O LEU A 82 -15.816 -22.298 -8.837 1.00 50.04 O ATOM 1303 CB LEU A 82 -14.889 -19.825 -7.709 1.00 21.32 C ATOM 1304 CG LEU A 82 -14.261 -18.507 -7.252 1.00 72.44 C ATOM 1305 CD1 LEU A 82 -15.291 -17.644 -6.540 1.00 33.44 C ATOM 1306 CD2 LEU A 82 -13.065 -18.770 -6.350 1.00 32.23 C ATOM 0 H LEU A 82 -15.270 -19.736 -10.333 1.00 62.31 H new ATOM 0 HA LEU A 82 -13.067 -20.591 -8.553 1.00 62.55 H new ATOM 0 HB2 LEU A 82 -15.895 -19.617 -8.075 1.00 21.32 H new ATOM 0 HB3 LEU A 82 -14.994 -20.475 -6.840 1.00 21.32 H new ATOM 0 HG LEU A 82 -13.913 -17.968 -8.133 1.00 72.44 H new ATOM 0 HD11 LEU A 82 -14.826 -16.711 -6.222 1.00 33.44 H new ATOM 0 HD12 LEU A 82 -16.115 -17.426 -7.219 1.00 33.44 H new ATOM 0 HD13 LEU A 82 -15.671 -18.176 -5.668 1.00 33.44 H new ATOM 0 HD21 LEU A 82 -12.631 -17.821 -6.035 1.00 32.23 H new ATOM 0 HD22 LEU A 82 -13.387 -19.331 -5.473 1.00 32.23 H new ATOM 0 HD23 LEU A 82 -12.318 -19.347 -6.895 1.00 32.23 H new ATOM 1318 N GLN A 83 -13.668 -22.969 -8.900 1.00 14.21 N ATOM 1319 CA GLN A 83 -14.000 -24.389 -8.952 1.00 40.54 C ATOM 1320 C GLN A 83 -13.484 -25.113 -7.714 1.00 14.12 C ATOM 1321 O GLN A 83 -12.276 -25.212 -7.499 1.00 31.33 O ATOM 1322 CB GLN A 83 -13.411 -25.025 -10.212 1.00 20.12 C ATOM 1323 CG GLN A 83 -13.380 -26.544 -10.169 1.00 43.42 C ATOM 1324 CD GLN A 83 -13.556 -27.171 -11.538 1.00 52.44 C ATOM 1325 OE1 GLN A 83 -14.619 -26.786 -12.234 1.00 52.50 O flip ATOM 1326 NE2 GLN A 83 -12.745 -27.993 -11.966 1.00 42.43 N flip ATOM 0 H GLN A 83 -12.668 -22.768 -8.908 1.00 14.21 H new ATOM 0 HA GLN A 83 -15.086 -24.483 -8.979 1.00 40.54 H new ATOM 0 HB2 GLN A 83 -13.994 -24.706 -11.076 1.00 20.12 H new ATOM 0 HB3 GLN A 83 -12.397 -24.653 -10.357 1.00 20.12 H new ATOM 0 HG2 GLN A 83 -12.432 -26.872 -9.743 1.00 43.42 H new ATOM 0 HG3 GLN A 83 -14.168 -26.901 -9.506 1.00 43.42 H new ATOM 0 HE21 GLN A 83 -11.942 -28.260 -11.397 1.00 42.43 H new ATOM 0 HE22 GLN A 83 -12.877 -28.406 -12.889 1.00 42.43 H new ATOM 1335 N ASP A 84 -14.407 -25.617 -6.903 1.00 1.24 N ATOM 1336 CA ASP A 84 -14.046 -26.335 -5.685 1.00 15.53 C ATOM 1337 C ASP A 84 -13.245 -27.591 -6.011 1.00 45.41 C ATOM 1338 O ASP A 84 -13.305 -28.105 -7.127 1.00 51.12 O ATOM 1339 CB ASP A 84 -15.301 -26.706 -4.895 1.00 33.34 C ATOM 1340 CG ASP A 84 -14.982 -27.190 -3.495 1.00 15.15 C ATOM 1341 OD1 ASP A 84 -14.812 -26.339 -2.597 1.00 33.02 O ATOM 1342 OD2 ASP A 84 -14.901 -28.420 -3.295 1.00 33.32 O ATOM 0 H ASP A 84 -15.411 -25.542 -7.066 1.00 1.24 H new ATOM 0 HA ASP A 84 -13.425 -25.678 -5.077 1.00 15.53 H new ATOM 0 HB2 ASP A 84 -15.959 -25.839 -4.835 1.00 33.34 H new ATOM 0 HB3 ASP A 84 -15.847 -27.484 -5.430 1.00 33.34 H new ATOM 1347 N ASN A 85 -12.493 -28.079 -5.030 1.00 20.14 N ATOM 1348 CA ASN A 85 -11.678 -29.274 -5.214 1.00 2.44 C ATOM 1349 C ASN A 85 -10.785 -29.140 -6.443 1.00 4.15 C ATOM 1350 O ASN A 85 -11.010 -29.770 -7.477 1.00 2.25 O ATOM 1351 CB ASN A 85 -12.571 -30.509 -5.350 1.00 31.31 C ATOM 1352 CG ASN A 85 -11.855 -31.786 -4.955 1.00 31.41 C ATOM 1353 OD1 ASN A 85 -11.681 -32.692 -5.770 1.00 70.33 O ATOM 1354 ND2 ASN A 85 -11.437 -31.865 -3.697 1.00 3.52 N ATOM 0 H ASN A 85 -12.431 -27.665 -4.100 1.00 20.14 H new ATOM 0 HA ASN A 85 -11.042 -29.389 -4.336 1.00 2.44 H new ATOM 0 HB2 ASN A 85 -13.456 -30.384 -4.727 1.00 31.31 H new ATOM 0 HB3 ASN A 85 -12.916 -30.593 -6.381 1.00 31.31 H new ATOM 0 HD21 ASN A 85 -10.950 -32.701 -3.373 1.00 3.52 H new ATOM 0 HD22 ASN A 85 -11.603 -31.090 -3.055 1.00 3.52 H new ATOM 1361 N PRO A 86 -9.745 -28.300 -6.330 1.00 14.51 N ATOM 1362 CA PRO A 86 -8.797 -28.063 -7.422 1.00 2.31 C ATOM 1363 C PRO A 86 -7.912 -29.275 -7.694 1.00 34.03 C ATOM 1364 O PRO A 86 -7.251 -29.788 -6.791 1.00 44.44 O ATOM 1365 CB PRO A 86 -7.955 -26.890 -6.913 1.00 21.34 C ATOM 1366 CG PRO A 86 -8.046 -26.974 -5.429 1.00 32.53 C ATOM 1367 CD PRO A 86 -9.418 -27.515 -5.128 1.00 4.04 C ATOM 0 HA PRO A 86 -9.304 -27.863 -8.366 1.00 2.31 H new ATOM 0 HB2 PRO A 86 -6.922 -26.968 -7.251 1.00 21.34 H new ATOM 0 HB3 PRO A 86 -8.339 -25.938 -7.280 1.00 21.34 H new ATOM 0 HG2 PRO A 86 -7.272 -27.628 -5.027 1.00 32.53 H new ATOM 0 HG3 PRO A 86 -7.904 -25.994 -4.973 1.00 32.53 H new ATOM 0 HD2 PRO A 86 -9.418 -28.134 -4.231 1.00 4.04 H new ATOM 0 HD3 PRO A 86 -10.139 -26.714 -4.962 1.00 4.04 H new ATOM 1375 N ARG A 87 -7.906 -29.729 -8.943 1.00 64.15 N ATOM 1376 CA ARG A 87 -7.103 -30.882 -9.333 1.00 12.12 C ATOM 1377 C ARG A 87 -5.823 -30.440 -10.036 1.00 2.22 C ATOM 1378 O ARG A 87 -5.853 -29.598 -10.933 1.00 43.54 O ATOM 1379 CB ARG A 87 -7.909 -31.804 -10.250 1.00 44.02 C ATOM 1380 CG ARG A 87 -7.294 -33.184 -10.418 1.00 22.31 C ATOM 1381 CD ARG A 87 -8.307 -34.183 -10.954 1.00 21.32 C ATOM 1382 NE ARG A 87 -7.696 -35.477 -11.246 1.00 62.53 N ATOM 1383 CZ ARG A 87 -8.335 -36.471 -11.855 1.00 64.15 C ATOM 1384 NH1 ARG A 87 -9.596 -36.318 -12.234 1.00 71.33 N ATOM 1385 NH2 ARG A 87 -7.711 -37.619 -12.086 1.00 53.22 N ATOM 0 H ARG A 87 -8.448 -29.316 -9.702 1.00 64.15 H new ATOM 0 HA ARG A 87 -6.831 -31.427 -8.429 1.00 12.12 H new ATOM 0 HB2 ARG A 87 -8.917 -31.911 -9.849 1.00 44.02 H new ATOM 0 HB3 ARG A 87 -8.004 -31.336 -11.230 1.00 44.02 H new ATOM 0 HG2 ARG A 87 -6.445 -33.125 -11.098 1.00 22.31 H new ATOM 0 HG3 ARG A 87 -6.910 -33.532 -9.459 1.00 22.31 H new ATOM 0 HD2 ARG A 87 -9.106 -34.316 -10.225 1.00 21.32 H new ATOM 0 HD3 ARG A 87 -8.764 -33.785 -11.860 1.00 21.32 H new ATOM 0 HE ARG A 87 -6.726 -35.626 -10.967 1.00 62.53 H new ATOM 0 HH11 ARG A 87 -10.078 -35.436 -12.059 1.00 71.33 H new ATOM 0 HH12 ARG A 87 -10.084 -37.082 -12.701 1.00 71.33 H new ATOM 0 HH21 ARG A 87 -6.740 -37.739 -11.796 1.00 53.22 H new ATOM 0 HH22 ARG A 87 -8.202 -38.381 -12.553 1.00 53.22 H new ATOM 1399 N THR A 88 -4.698 -31.014 -9.621 1.00 24.22 N ATOM 1400 CA THR A 88 -3.407 -30.678 -10.209 1.00 24.23 C ATOM 1401 C THR A 88 -2.503 -31.904 -10.286 1.00 2.02 C ATOM 1402 O THR A 88 -2.608 -32.816 -9.466 1.00 70.40 O ATOM 1403 CB THR A 88 -2.692 -29.577 -9.403 1.00 71.25 C ATOM 1404 OG1 THR A 88 -2.704 -29.904 -8.009 1.00 40.13 O ATOM 1405 CG2 THR A 88 -3.361 -28.228 -9.619 1.00 3.04 C ATOM 0 H THR A 88 -4.655 -31.714 -8.880 1.00 24.22 H new ATOM 0 HA THR A 88 -3.604 -30.311 -11.216 1.00 24.23 H new ATOM 0 HB THR A 88 -1.661 -29.513 -9.751 1.00 71.25 H new ATOM 0 HG1 THR A 88 -2.246 -29.200 -7.504 1.00 40.13 H new ATOM 0 HG21 THR A 88 -2.839 -27.466 -9.040 1.00 3.04 H new ATOM 0 HG22 THR A 88 -3.324 -27.969 -10.677 1.00 3.04 H new ATOM 0 HG23 THR A 88 -4.400 -28.281 -9.295 1.00 3.04 H new ATOM 1413 N ILE A 89 -1.616 -31.918 -11.275 1.00 53.42 N ATOM 1414 CA ILE A 89 -0.693 -33.030 -11.457 1.00 62.32 C ATOM 1415 C ILE A 89 0.726 -32.532 -11.711 1.00 31.31 C ATOM 1416 O ILE A 89 0.945 -31.637 -12.527 1.00 62.24 O ATOM 1417 CB ILE A 89 -1.124 -33.934 -12.628 1.00 74.11 C ATOM 1418 CG1 ILE A 89 -1.385 -33.093 -13.880 1.00 4.05 C ATOM 1419 CG2 ILE A 89 -2.363 -34.732 -12.251 1.00 75.32 C ATOM 1420 CD1 ILE A 89 -1.740 -33.918 -15.098 1.00 15.24 C ATOM 0 H ILE A 89 -1.517 -31.171 -11.963 1.00 53.42 H new ATOM 0 HA ILE A 89 -0.713 -33.610 -10.534 1.00 62.32 H new ATOM 0 HB ILE A 89 -0.317 -34.634 -12.845 1.00 74.11 H new ATOM 0 HG12 ILE A 89 -2.196 -32.394 -13.676 1.00 4.05 H new ATOM 0 HG13 ILE A 89 -0.499 -32.498 -14.100 1.00 4.05 H new ATOM 0 HG21 ILE A 89 -2.656 -35.366 -13.088 1.00 75.32 H new ATOM 0 HG22 ILE A 89 -2.145 -35.354 -11.383 1.00 75.32 H new ATOM 0 HG23 ILE A 89 -3.177 -34.048 -12.012 1.00 75.32 H new ATOM 0 HD11 ILE A 89 -1.912 -33.257 -15.948 1.00 15.24 H new ATOM 0 HD12 ILE A 89 -0.920 -34.599 -15.328 1.00 15.24 H new ATOM 0 HD13 ILE A 89 -2.644 -34.493 -14.897 1.00 15.24 H new ATOM 1432 N VAL A 90 1.688 -33.118 -11.005 1.00 22.42 N ATOM 1433 CA VAL A 90 3.087 -32.736 -11.156 1.00 30.02 C ATOM 1434 C VAL A 90 3.508 -32.756 -12.621 1.00 20.15 C ATOM 1435 O VAL A 90 2.919 -33.448 -13.452 1.00 5.53 O ATOM 1436 CB VAL A 90 4.013 -33.670 -10.354 1.00 65.32 C ATOM 1437 CG1 VAL A 90 3.966 -33.328 -8.873 1.00 41.42 C ATOM 1438 CG2 VAL A 90 3.632 -35.125 -10.585 1.00 74.03 C ATOM 0 H VAL A 90 1.524 -33.859 -10.323 1.00 22.42 H new ATOM 0 HA VAL A 90 3.182 -31.722 -10.768 1.00 30.02 H new ATOM 0 HB VAL A 90 5.035 -33.525 -10.703 1.00 65.32 H new ATOM 0 HG11 VAL A 90 4.627 -33.999 -8.324 1.00 41.42 H new ATOM 0 HG12 VAL A 90 4.291 -32.298 -8.727 1.00 41.42 H new ATOM 0 HG13 VAL A 90 2.946 -33.442 -8.505 1.00 41.42 H new ATOM 0 HG21 VAL A 90 4.296 -35.771 -10.011 1.00 74.03 H new ATOM 0 HG22 VAL A 90 2.603 -35.287 -10.265 1.00 74.03 H new ATOM 0 HG23 VAL A 90 3.723 -35.361 -11.645 1.00 74.03 H new ATOM 1448 N PRO A 91 4.552 -31.980 -12.947 1.00 22.13 N ATOM 1449 CA PRO A 91 5.076 -31.892 -14.313 1.00 1.21 C ATOM 1450 C PRO A 91 5.770 -33.177 -14.752 1.00 74.10 C ATOM 1451 O PRO A 91 6.665 -33.676 -14.070 1.00 42.34 O ATOM 1452 CB PRO A 91 6.083 -30.742 -14.232 1.00 45.43 C ATOM 1453 CG PRO A 91 6.505 -30.706 -12.804 1.00 54.42 C ATOM 1454 CD PRO A 91 5.301 -31.129 -12.007 1.00 62.01 C ATOM 0 HA PRO A 91 4.283 -31.733 -15.044 1.00 1.21 H new ATOM 0 HB2 PRO A 91 6.934 -30.914 -14.892 1.00 45.43 H new ATOM 0 HB3 PRO A 91 5.630 -29.798 -14.535 1.00 45.43 H new ATOM 0 HG2 PRO A 91 7.345 -31.378 -12.628 1.00 54.42 H new ATOM 0 HG3 PRO A 91 6.831 -29.706 -12.518 1.00 54.42 H new ATOM 0 HD2 PRO A 91 5.586 -31.677 -11.109 1.00 62.01 H new ATOM 0 HD3 PRO A 91 4.711 -30.271 -11.684 1.00 62.01 H new ATOM 1462 N LYS A 92 5.350 -33.708 -15.896 1.00 2.13 N ATOM 1463 CA LYS A 92 5.931 -34.935 -16.428 1.00 31.24 C ATOM 1464 C LYS A 92 7.049 -34.623 -17.418 1.00 54.14 C ATOM 1465 O LYS A 92 6.965 -33.657 -18.178 1.00 20.33 O ATOM 1466 CB LYS A 92 4.853 -35.781 -17.108 1.00 53.25 C ATOM 1467 CG LYS A 92 4.128 -36.721 -16.161 1.00 4.32 C ATOM 1468 CD LYS A 92 3.329 -37.768 -16.917 1.00 30.34 C ATOM 1469 CE LYS A 92 4.219 -38.896 -17.417 1.00 5.43 C ATOM 1470 NZ LYS A 92 4.785 -39.695 -16.294 1.00 31.11 N ATOM 0 H LYS A 92 4.610 -33.308 -16.472 1.00 2.13 H new ATOM 0 HA LYS A 92 6.354 -35.498 -15.596 1.00 31.24 H new ATOM 0 HB2 LYS A 92 4.125 -35.118 -17.576 1.00 53.25 H new ATOM 0 HB3 LYS A 92 5.312 -36.365 -17.906 1.00 53.25 H new ATOM 0 HG2 LYS A 92 4.852 -37.213 -15.511 1.00 4.32 H new ATOM 0 HG3 LYS A 92 3.461 -36.147 -15.518 1.00 4.32 H new ATOM 0 HD2 LYS A 92 2.555 -38.175 -16.267 1.00 30.34 H new ATOM 0 HD3 LYS A 92 2.823 -37.301 -17.762 1.00 30.34 H new ATOM 0 HE2 LYS A 92 3.644 -39.549 -18.073 1.00 5.43 H new ATOM 0 HE3 LYS A 92 5.032 -38.481 -18.013 1.00 5.43 H new ATOM 0 HZ1 LYS A 92 5.092 -40.623 -16.649 1.00 31.11 H new ATOM 0 HZ2 LYS A 92 5.600 -39.193 -15.887 1.00 31.11 H new ATOM 0 HZ3 LYS A 92 4.059 -39.827 -15.561 1.00 31.11 H new ATOM 1484 N SER A 93 8.091 -35.447 -17.407 1.00 0.03 N ATOM 1485 CA SER A 93 9.225 -35.256 -18.303 1.00 64.21 C ATOM 1486 C SER A 93 9.143 -36.207 -19.493 1.00 53.43 C ATOM 1487 O SER A 93 8.381 -37.174 -19.478 1.00 53.13 O ATOM 1488 CB SER A 93 10.540 -35.477 -17.551 1.00 73.00 C ATOM 1489 OG SER A 93 10.699 -34.526 -16.513 1.00 14.24 O ATOM 0 H SER A 93 8.174 -36.253 -16.788 1.00 0.03 H new ATOM 0 HA SER A 93 9.194 -34.232 -18.674 1.00 64.21 H new ATOM 0 HB2 SER A 93 10.559 -36.483 -17.133 1.00 73.00 H new ATOM 0 HB3 SER A 93 11.377 -35.405 -18.246 1.00 73.00 H new ATOM 0 HG SER A 93 11.545 -34.689 -16.047 1.00 14.24 H new ATOM 1495 N TYR A 94 9.932 -35.924 -20.524 1.00 41.20 N ATOM 1496 CA TYR A 94 9.947 -36.751 -21.725 1.00 12.02 C ATOM 1497 C TYR A 94 11.281 -36.627 -22.455 1.00 33.21 C ATOM 1498 O TYR A 94 11.655 -35.547 -22.909 1.00 51.13 O ATOM 1499 CB TYR A 94 8.803 -36.353 -22.658 1.00 40.22 C ATOM 1500 CG TYR A 94 7.469 -36.947 -22.269 1.00 53.05 C ATOM 1501 CD1 TYR A 94 7.279 -38.324 -22.250 1.00 14.10 C ATOM 1502 CD2 TYR A 94 6.397 -36.133 -21.922 1.00 3.21 C ATOM 1503 CE1 TYR A 94 6.061 -38.872 -21.896 1.00 1.44 C ATOM 1504 CE2 TYR A 94 5.177 -36.672 -21.565 1.00 71.30 C ATOM 1505 CZ TYR A 94 5.013 -38.042 -21.553 1.00 43.34 C ATOM 1506 OH TYR A 94 3.799 -38.583 -21.200 1.00 10.05 O ATOM 0 H TYR A 94 10.569 -35.128 -20.552 1.00 41.20 H new ATOM 0 HA TYR A 94 9.815 -37.790 -21.422 1.00 12.02 H new ATOM 0 HB2 TYR A 94 8.717 -35.266 -22.671 1.00 40.22 H new ATOM 0 HB3 TYR A 94 9.048 -36.665 -23.673 1.00 40.22 H new ATOM 0 HD1 TYR A 94 8.097 -38.977 -22.516 1.00 14.10 H new ATOM 0 HD2 TYR A 94 6.521 -35.060 -21.932 1.00 3.21 H new ATOM 0 HE1 TYR A 94 5.930 -39.944 -21.888 1.00 1.44 H new ATOM 0 HE2 TYR A 94 4.355 -36.025 -21.297 1.00 71.30 H new ATOM 0 HH TYR A 94 3.170 -37.863 -20.986 1.00 10.05 H new ATOM 1516 N ALA A 95 11.995 -37.743 -22.563 1.00 34.00 N ATOM 1517 CA ALA A 95 13.286 -37.762 -23.240 1.00 12.04 C ATOM 1518 C ALA A 95 13.124 -38.084 -24.721 1.00 33.32 C ATOM 1519 O ALA A 95 12.008 -38.271 -25.208 1.00 21.11 O ATOM 1520 CB ALA A 95 14.214 -38.769 -22.577 1.00 65.14 C ATOM 0 H ALA A 95 11.701 -38.646 -22.190 1.00 34.00 H new ATOM 0 HA ALA A 95 13.727 -36.769 -23.157 1.00 12.04 H new ATOM 0 HB1 ALA A 95 15.174 -38.773 -23.092 1.00 65.14 H new ATOM 0 HB2 ALA A 95 14.364 -38.494 -21.533 1.00 65.14 H new ATOM 0 HB3 ALA A 95 13.770 -39.763 -22.630 1.00 65.14 H new ATOM 1526 N ASP A 96 14.244 -38.145 -25.434 1.00 32.41 N ATOM 1527 CA ASP A 96 14.226 -38.446 -26.861 1.00 52.33 C ATOM 1528 C ASP A 96 15.437 -39.284 -27.255 1.00 32.24 C ATOM 1529 O ASP A 96 16.559 -39.009 -26.832 1.00 62.22 O ATOM 1530 CB ASP A 96 14.200 -37.151 -27.675 1.00 61.23 C ATOM 1531 CG ASP A 96 15.026 -36.050 -27.039 1.00 55.21 C ATOM 1532 OD1 ASP A 96 16.240 -36.260 -26.839 1.00 4.04 O ATOM 1533 OD2 ASP A 96 14.457 -34.979 -26.740 1.00 12.35 O ATOM 0 H ASP A 96 15.175 -37.990 -25.047 1.00 32.41 H new ATOM 0 HA ASP A 96 13.325 -39.020 -27.075 1.00 52.33 H new ATOM 0 HB2 ASP A 96 14.575 -37.349 -28.679 1.00 61.23 H new ATOM 0 HB3 ASP A 96 13.169 -36.813 -27.781 1.00 61.23 H new ATOM 1538 N ASN A 97 15.201 -40.310 -28.066 1.00 72.32 N ATOM 1539 CA ASN A 97 16.272 -41.191 -28.517 1.00 23.52 C ATOM 1540 C ASN A 97 16.459 -41.094 -30.028 1.00 11.20 C ATOM 1541 O ASN A 97 16.068 -41.994 -30.772 1.00 13.32 O ATOM 1542 CB ASN A 97 15.972 -42.638 -28.121 1.00 31.15 C ATOM 1543 CG ASN A 97 17.207 -43.517 -28.158 1.00 55.13 C ATOM 1544 OD1 ASN A 97 18.327 -43.041 -27.973 1.00 51.21 O ATOM 1545 ND2 ASN A 97 17.008 -44.807 -28.399 1.00 72.34 N ATOM 0 H ASN A 97 14.277 -40.552 -28.424 1.00 72.32 H new ATOM 0 HA ASN A 97 17.196 -40.873 -28.034 1.00 23.52 H new ATOM 0 HB2 ASN A 97 15.547 -42.656 -27.118 1.00 31.15 H new ATOM 0 HB3 ASN A 97 15.218 -43.047 -28.794 1.00 31.15 H new ATOM 0 HD21 ASN A 97 17.801 -45.447 -28.437 1.00 72.34 H new ATOM 0 HD22 ASN A 97 16.062 -45.158 -28.546 1.00 72.34 H new ATOM 1552 N PHE A 98 17.058 -39.995 -30.475 1.00 25.21 N ATOM 1553 CA PHE A 98 17.297 -39.780 -31.897 1.00 21.12 C ATOM 1554 C PHE A 98 18.775 -39.955 -32.234 1.00 51.21 C ATOM 1555 O PHE A 98 19.646 -39.384 -31.577 1.00 41.34 O ATOM 1556 CB PHE A 98 16.831 -38.381 -32.307 1.00 61.35 C ATOM 1557 CG PHE A 98 15.351 -38.286 -32.539 1.00 72.25 C ATOM 1558 CD1 PHE A 98 14.754 -38.977 -33.582 1.00 52.23 C ATOM 1559 CD2 PHE A 98 14.555 -37.507 -31.715 1.00 4.42 C ATOM 1560 CE1 PHE A 98 13.391 -38.891 -33.798 1.00 21.11 C ATOM 1561 CE2 PHE A 98 13.192 -37.418 -31.926 1.00 20.04 C ATOM 1562 CZ PHE A 98 12.610 -38.110 -32.969 1.00 60.21 C ATOM 0 H PHE A 98 17.387 -39.240 -29.873 1.00 25.21 H new ATOM 0 HA PHE A 98 16.726 -40.524 -32.452 1.00 21.12 H new ATOM 0 HB2 PHE A 98 17.115 -37.670 -31.531 1.00 61.35 H new ATOM 0 HB3 PHE A 98 17.353 -38.085 -33.217 1.00 61.35 H new ATOM 0 HD1 PHE A 98 15.360 -39.589 -34.233 1.00 52.23 H new ATOM 0 HD2 PHE A 98 15.005 -36.963 -30.898 1.00 4.42 H new ATOM 0 HE1 PHE A 98 12.938 -39.434 -34.614 1.00 21.11 H new ATOM 0 HE2 PHE A 98 12.583 -36.808 -31.276 1.00 20.04 H new ATOM 0 HZ PHE A 98 11.545 -38.041 -33.136 1.00 60.21 H new ATOM 1572 N THR A 99 19.051 -40.752 -33.263 1.00 15.53 N ATOM 1573 CA THR A 99 20.422 -41.005 -33.686 1.00 54.33 C ATOM 1574 C THR A 99 20.666 -40.484 -35.098 1.00 71.15 C ATOM 1575 O THR A 99 19.738 -40.373 -35.900 1.00 34.43 O ATOM 1576 CB THR A 99 20.755 -42.507 -33.641 1.00 65.44 C ATOM 1577 OG1 THR A 99 22.073 -42.733 -34.154 1.00 62.03 O ATOM 1578 CG2 THR A 99 19.747 -43.310 -34.450 1.00 20.11 C ATOM 0 H THR A 99 18.343 -41.233 -33.818 1.00 15.53 H new ATOM 0 HA THR A 99 21.071 -40.476 -32.989 1.00 54.33 H new ATOM 0 HB THR A 99 20.708 -42.835 -32.603 1.00 65.44 H new ATOM 0 HG1 THR A 99 22.277 -43.691 -34.120 1.00 62.03 H new ATOM 0 HG21 THR A 99 20.003 -44.368 -34.403 1.00 20.11 H new ATOM 0 HG22 THR A 99 18.749 -43.160 -34.039 1.00 20.11 H new ATOM 0 HG23 THR A 99 19.766 -42.978 -35.488 1.00 20.11 H new ATOM 1586 N LYS A 100 21.921 -40.166 -35.398 1.00 1.43 N ATOM 1587 CA LYS A 100 22.289 -39.657 -36.714 1.00 32.51 C ATOM 1588 C LYS A 100 22.012 -40.697 -37.795 1.00 32.34 C ATOM 1589 O LYS A 100 21.880 -41.891 -37.522 1.00 61.14 O ATOM 1590 CB LYS A 100 23.767 -39.264 -36.737 1.00 24.31 C ATOM 1591 CG LYS A 100 24.009 -37.792 -36.454 1.00 45.34 C ATOM 1592 CD LYS A 100 24.011 -37.503 -34.962 1.00 21.40 C ATOM 1593 CE LYS A 100 22.627 -37.112 -34.468 1.00 50.21 C ATOM 1594 NZ LYS A 100 22.432 -35.635 -34.476 1.00 63.11 N ATOM 0 H LYS A 100 22.701 -40.252 -34.747 1.00 1.43 H new ATOM 0 HA LYS A 100 21.682 -38.775 -36.918 1.00 32.51 H new ATOM 0 HB2 LYS A 100 24.304 -39.860 -36.000 1.00 24.31 H new ATOM 0 HB3 LYS A 100 24.185 -39.511 -37.713 1.00 24.31 H new ATOM 0 HG2 LYS A 100 24.963 -37.490 -36.885 1.00 45.34 H new ATOM 0 HG3 LYS A 100 23.237 -37.196 -36.940 1.00 45.34 H new ATOM 0 HD2 LYS A 100 24.356 -38.384 -34.420 1.00 21.40 H new ATOM 0 HD3 LYS A 100 24.716 -36.700 -34.747 1.00 21.40 H new ATOM 0 HE2 LYS A 100 21.871 -37.582 -35.097 1.00 50.21 H new ATOM 0 HE3 LYS A 100 22.481 -37.492 -33.457 1.00 50.21 H new ATOM 0 HZ1 LYS A 100 21.477 -35.409 -34.133 1.00 63.11 H new ATOM 0 HZ2 LYS A 100 23.137 -35.188 -33.856 1.00 63.11 H new ATOM 0 HZ3 LYS A 100 22.546 -35.275 -35.445 1.00 63.11 H new ATOM 1608 N PRO A 101 21.922 -40.237 -39.051 1.00 72.33 N ATOM 1609 CA PRO A 101 21.662 -41.112 -40.199 1.00 52.53 C ATOM 1610 C PRO A 101 22.844 -42.023 -40.513 1.00 12.11 C ATOM 1611 O PRO A 101 23.978 -41.739 -40.126 1.00 51.52 O ATOM 1612 CB PRO A 101 21.425 -40.129 -41.348 1.00 14.44 C ATOM 1613 CG PRO A 101 22.158 -38.895 -40.949 1.00 30.14 C ATOM 1614 CD PRO A 101 22.068 -38.827 -39.449 1.00 42.41 C ATOM 0 HA PRO A 101 20.825 -41.786 -40.016 1.00 52.53 H new ATOM 0 HB2 PRO A 101 21.801 -40.525 -42.291 1.00 14.44 H new ATOM 0 HB3 PRO A 101 20.362 -39.931 -41.486 1.00 14.44 H new ATOM 0 HG2 PRO A 101 23.197 -38.935 -41.276 1.00 30.14 H new ATOM 0 HG3 PRO A 101 21.713 -38.012 -41.407 1.00 30.14 H new ATOM 0 HD2 PRO A 101 22.960 -38.377 -39.013 1.00 42.41 H new ATOM 0 HD3 PRO A 101 21.217 -38.228 -39.124 1.00 42.41 H new ATOM 1622 N ARG A 102 22.572 -43.117 -41.215 1.00 60.43 N ATOM 1623 CA ARG A 102 23.613 -44.069 -41.581 1.00 21.42 C ATOM 1624 C ARG A 102 23.906 -44.008 -43.078 1.00 14.14 C ATOM 1625 O ARG A 102 23.051 -44.332 -43.901 1.00 34.11 O ATOM 1626 CB ARG A 102 23.196 -45.488 -41.190 1.00 22.01 C ATOM 1627 CG ARG A 102 24.348 -46.345 -40.689 1.00 34.50 C ATOM 1628 CD ARG A 102 25.450 -46.461 -41.730 1.00 51.04 C ATOM 1629 NE ARG A 102 26.325 -47.602 -41.476 1.00 51.43 N ATOM 1630 CZ ARG A 102 25.970 -48.863 -41.692 1.00 21.03 C ATOM 1631 NH1 ARG A 102 24.764 -49.145 -42.164 1.00 12.35 N ATOM 1632 NH2 ARG A 102 26.823 -49.847 -41.435 1.00 51.34 N ATOM 0 H ARG A 102 21.639 -43.367 -41.542 1.00 60.43 H new ATOM 0 HA ARG A 102 24.521 -43.801 -41.040 1.00 21.42 H new ATOM 0 HB2 ARG A 102 22.432 -45.432 -40.415 1.00 22.01 H new ATOM 0 HB3 ARG A 102 22.741 -45.975 -42.053 1.00 22.01 H new ATOM 0 HG2 ARG A 102 24.754 -45.912 -39.775 1.00 34.50 H new ATOM 0 HG3 ARG A 102 23.980 -47.339 -40.435 1.00 34.50 H new ATOM 0 HD2 ARG A 102 25.005 -46.559 -42.720 1.00 51.04 H new ATOM 0 HD3 ARG A 102 26.041 -45.545 -41.736 1.00 51.04 H new ATOM 0 HE ARG A 102 27.261 -47.420 -41.113 1.00 51.43 H new ATOM 0 HH11 ARG A 102 24.105 -48.392 -42.363 1.00 12.35 H new ATOM 0 HH12 ARG A 102 24.495 -50.115 -42.329 1.00 12.35 H new ATOM 0 HH21 ARG A 102 27.752 -49.635 -41.071 1.00 51.34 H new ATOM 0 HH22 ARG A 102 26.549 -50.815 -41.601 1.00 51.34 H new ATOM 1646 N ASP A 103 25.119 -43.590 -43.421 1.00 4.32 N ATOM 1647 CA ASP A 103 25.525 -43.486 -44.817 1.00 43.41 C ATOM 1648 C ASP A 103 26.600 -44.517 -45.149 1.00 2.11 C ATOM 1649 O ASP A 103 26.440 -45.320 -46.067 1.00 34.42 O ATOM 1650 CB ASP A 103 26.042 -42.077 -45.117 1.00 62.31 C ATOM 1651 CG ASP A 103 25.971 -41.737 -46.592 1.00 62.23 C ATOM 1652 OD1 ASP A 103 24.915 -41.990 -47.210 1.00 21.14 O ATOM 1653 OD2 ASP A 103 26.971 -41.215 -47.130 1.00 34.12 O ATOM 0 H ASP A 103 25.838 -43.318 -42.751 1.00 4.32 H new ATOM 0 HA ASP A 103 24.652 -43.684 -45.439 1.00 43.41 H new ATOM 0 HB2 ASP A 103 25.458 -41.351 -44.551 1.00 62.31 H new ATOM 0 HB3 ASP A 103 27.074 -41.992 -44.777 1.00 62.31 H new ATOM 1658 N MET A 104 27.695 -44.485 -44.397 1.00 32.35 N ATOM 1659 CA MET A 104 28.796 -45.417 -44.611 1.00 33.33 C ATOM 1660 C MET A 104 28.309 -46.861 -44.531 1.00 33.33 C ATOM 1661 O MET A 104 28.423 -47.619 -45.495 1.00 23.44 O ATOM 1662 CB MET A 104 29.899 -45.183 -43.578 1.00 43.31 C ATOM 1663 CG MET A 104 29.452 -45.418 -42.144 1.00 65.33 C ATOM 1664 SD MET A 104 30.412 -44.467 -40.952 1.00 52.20 S ATOM 1665 CE MET A 104 30.125 -45.410 -39.457 1.00 24.33 C ATOM 0 H MET A 104 27.844 -43.824 -43.634 1.00 32.35 H new ATOM 0 HA MET A 104 29.198 -45.241 -45.609 1.00 33.33 H new ATOM 0 HB2 MET A 104 30.739 -45.842 -43.800 1.00 43.31 H new ATOM 0 HB3 MET A 104 30.263 -44.160 -43.673 1.00 43.31 H new ATOM 0 HG2 MET A 104 28.399 -45.155 -42.048 1.00 65.33 H new ATOM 0 HG3 MET A 104 29.538 -46.479 -41.910 1.00 65.33 H new ATOM 0 HE1 MET A 104 30.656 -44.945 -38.626 1.00 24.33 H new ATOM 0 HE2 MET A 104 29.057 -45.431 -39.239 1.00 24.33 H new ATOM 0 HE3 MET A 104 30.487 -46.429 -39.594 1.00 24.33 H new TER 1675 MET A 104