USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=29 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 47 ASN : amide:sc= -1.37 X(o=-1.5,f=-1.2!) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0526 (180deg=-0.472) 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) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -100:sc= 0.557 (180deg=-1.63) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -53:sc= 0.0648 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 25 SER OG : rot 65:sc= 0.462 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.0454 (180deg=-0.558) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= 0.0164 (180deg=0) USER MOD Single : A 37 SER OG : rot 21:sc= 0.0788 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0507 K(o=-0.051,f=-1.6!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.23) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.582 K(o=-0.58,f=-8.4!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.162 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00571 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= -0.0151 X(o=-0.015,f=-0.021) 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 43:sc= 0.0248 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.218 K(o=-0.22,f=-2) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 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 4.255 -3.954 -9.982 1.00 20.33 N ATOM 2 CA MET A 1 4.621 -3.290 -11.227 1.00 72.22 C ATOM 3 C MET A 1 3.415 -3.163 -12.151 1.00 73.35 C ATOM 4 O MET A 1 3.172 -2.103 -12.728 1.00 2.01 O ATOM 5 CB MET A 1 5.739 -4.061 -11.932 1.00 12.34 C ATOM 6 CG MET A 1 7.014 -4.166 -11.110 1.00 64.25 C ATOM 7 SD MET A 1 7.863 -2.585 -10.937 1.00 35.13 S ATOM 8 CE MET A 1 8.679 -2.810 -9.359 1.00 4.15 C ATOM 0 H1 MET A 1 4.972 -3.751 -9.256 1.00 20.33 H new ATOM 0 H2 MET A 1 3.329 -3.605 -9.662 1.00 20.33 H new ATOM 0 H3 MET A 1 4.203 -4.981 -10.139 1.00 20.33 H new ATOM 0 HA MET A 1 4.977 -2.289 -10.984 1.00 72.22 H new ATOM 0 HB2 MET A 1 5.385 -5.064 -12.168 1.00 12.34 H new ATOM 0 HB3 MET A 1 5.966 -3.572 -12.879 1.00 12.34 H new ATOM 0 HG2 MET A 1 6.772 -4.554 -10.120 1.00 64.25 H new ATOM 0 HG3 MET A 1 7.686 -4.885 -11.579 1.00 64.25 H new ATOM 0 HE1 MET A 1 9.247 -1.913 -9.112 1.00 4.15 H new ATOM 0 HE2 MET A 1 7.932 -2.991 -8.586 1.00 4.15 H new ATOM 0 HE3 MET A 1 9.355 -3.663 -9.417 1.00 4.15 H new ATOM 18 N GLN A 2 2.663 -4.251 -12.289 1.00 32.41 N ATOM 19 CA GLN A 2 1.482 -4.260 -13.145 1.00 4.31 C ATOM 20 C GLN A 2 0.461 -3.229 -12.675 1.00 12.12 C ATOM 21 O GLN A 2 0.504 -2.777 -11.531 1.00 64.43 O ATOM 22 CB GLN A 2 0.849 -5.652 -13.161 1.00 12.15 C ATOM 23 CG GLN A 2 1.660 -6.681 -13.931 1.00 2.32 C ATOM 24 CD GLN A 2 0.873 -7.942 -14.227 1.00 62.11 C ATOM 25 OE1 GLN A 2 0.306 -8.095 -15.309 1.00 72.41 O ATOM 26 NE2 GLN A 2 0.834 -8.856 -13.264 1.00 44.24 N ATOM 0 H GLN A 2 2.850 -5.137 -11.819 1.00 32.41 H new ATOM 0 HA GLN A 2 1.795 -3.999 -14.156 1.00 4.31 H new ATOM 0 HB2 GLN A 2 0.722 -5.996 -12.135 1.00 12.15 H new ATOM 0 HB3 GLN A 2 -0.146 -5.584 -13.600 1.00 12.15 H new ATOM 0 HG2 GLN A 2 2.001 -6.242 -14.868 1.00 2.32 H new ATOM 0 HG3 GLN A 2 2.550 -6.939 -13.358 1.00 2.32 H new ATOM 0 HE21 GLN A 2 1.318 -8.689 -12.382 1.00 44.24 H new ATOM 0 HE22 GLN A 2 0.320 -9.725 -13.406 1.00 44.24 H new ATOM 35 N GLU A 3 -0.455 -2.862 -13.566 1.00 5.21 N ATOM 36 CA GLU A 3 -1.486 -1.883 -13.242 1.00 43.40 C ATOM 37 C GLU A 3 -2.865 -2.388 -13.654 1.00 24.23 C ATOM 38 O GLU A 3 -3.041 -2.916 -14.752 1.00 34.12 O ATOM 39 CB GLU A 3 -1.191 -0.551 -13.935 1.00 4.35 C ATOM 40 CG GLU A 3 0.000 0.190 -13.349 1.00 31.01 C ATOM 41 CD GLU A 3 -0.277 0.736 -11.961 1.00 24.30 C ATOM 42 OE1 GLU A 3 -1.464 0.820 -11.582 1.00 62.02 O ATOM 43 OE2 GLU A 3 0.694 1.076 -11.254 1.00 33.10 O ATOM 0 H GLU A 3 -0.504 -3.228 -14.517 1.00 5.21 H new ATOM 0 HA GLU A 3 -1.481 -1.732 -12.162 1.00 43.40 H new ATOM 0 HB2 GLU A 3 -1.009 -0.735 -14.994 1.00 4.35 H new ATOM 0 HB3 GLU A 3 -2.073 0.086 -13.869 1.00 4.35 H new ATOM 0 HG2 GLU A 3 0.856 -0.483 -13.306 1.00 31.01 H new ATOM 0 HG3 GLU A 3 0.273 1.012 -14.011 1.00 31.01 H new ATOM 50 N GLN A 4 -3.838 -2.226 -12.764 1.00 55.52 N ATOM 51 CA GLN A 4 -5.201 -2.666 -13.034 1.00 61.34 C ATOM 52 C GLN A 4 -6.025 -1.541 -13.653 1.00 2.12 C ATOM 53 O GLN A 4 -6.450 -0.616 -12.961 1.00 32.14 O ATOM 54 CB GLN A 4 -5.867 -3.153 -11.746 1.00 71.13 C ATOM 55 CG GLN A 4 -5.266 -4.437 -11.198 1.00 70.52 C ATOM 56 CD GLN A 4 -6.239 -5.213 -10.332 1.00 11.14 C ATOM 57 OE1 GLN A 4 -6.863 -4.658 -9.427 1.00 73.15 O ATOM 58 NE2 GLN A 4 -6.372 -6.506 -10.604 1.00 35.33 N ATOM 0 H GLN A 4 -3.708 -1.793 -11.850 1.00 55.52 H new ATOM 0 HA GLN A 4 -5.155 -3.491 -13.745 1.00 61.34 H new ATOM 0 HB2 GLN A 4 -5.788 -2.373 -10.989 1.00 71.13 H new ATOM 0 HB3 GLN A 4 -6.929 -3.310 -11.933 1.00 71.13 H new ATOM 0 HG2 GLN A 4 -4.943 -5.066 -12.028 1.00 70.52 H new ATOM 0 HG3 GLN A 4 -4.377 -4.198 -10.614 1.00 70.52 H new ATOM 0 HE21 GLN A 4 -5.835 -6.925 -11.363 1.00 35.33 H new ATOM 0 HE22 GLN A 4 -7.011 -7.080 -10.054 1.00 35.33 H new ATOM 67 N VAL A 5 -6.247 -1.627 -14.961 1.00 31.24 N ATOM 68 CA VAL A 5 -7.021 -0.617 -15.673 1.00 3.52 C ATOM 69 C VAL A 5 -8.413 -1.133 -16.015 1.00 33.30 C ATOM 70 O VAL A 5 -8.896 -0.953 -17.133 1.00 51.25 O ATOM 71 CB VAL A 5 -6.314 -0.180 -16.970 1.00 2.41 C ATOM 72 CG1 VAL A 5 -5.044 0.595 -16.650 1.00 44.11 C ATOM 73 CG2 VAL A 5 -6.006 -1.388 -17.841 1.00 35.40 C ATOM 0 H VAL A 5 -5.902 -2.386 -15.549 1.00 31.24 H new ATOM 0 HA VAL A 5 -7.108 0.243 -15.008 1.00 3.52 H new ATOM 0 HB VAL A 5 -6.983 0.478 -17.525 1.00 2.41 H new ATOM 0 HG11 VAL A 5 -4.558 0.896 -17.578 1.00 44.11 H new ATOM 0 HG12 VAL A 5 -5.296 1.482 -16.068 1.00 44.11 H new ATOM 0 HG13 VAL A 5 -4.368 -0.037 -16.074 1.00 44.11 H new ATOM 0 HG21 VAL A 5 -5.507 -1.061 -18.753 1.00 35.40 H new ATOM 0 HG22 VAL A 5 -5.356 -2.073 -17.297 1.00 35.40 H new ATOM 0 HG23 VAL A 5 -6.935 -1.897 -18.098 1.00 35.40 H new ATOM 83 N SER A 6 -9.057 -1.775 -15.045 1.00 52.23 N ATOM 84 CA SER A 6 -10.395 -2.319 -15.245 1.00 12.43 C ATOM 85 C SER A 6 -11.406 -1.620 -14.341 1.00 40.15 C ATOM 86 O SER A 6 -11.055 -1.102 -13.282 1.00 23.51 O ATOM 87 CB SER A 6 -10.401 -3.824 -14.968 1.00 32.22 C ATOM 88 OG SER A 6 -11.708 -4.280 -14.664 1.00 33.24 O ATOM 0 H SER A 6 -8.673 -1.931 -14.113 1.00 52.23 H new ATOM 0 HA SER A 6 -10.681 -2.146 -16.282 1.00 12.43 H new ATOM 0 HB2 SER A 6 -10.019 -4.359 -15.837 1.00 32.22 H new ATOM 0 HB3 SER A 6 -9.732 -4.047 -14.137 1.00 32.22 H new ATOM 0 HG SER A 6 -11.686 -5.245 -14.492 1.00 33.24 H new ATOM 94 N ASN A 7 -12.664 -1.609 -14.770 1.00 60.23 N ATOM 95 CA ASN A 7 -13.728 -0.973 -14.003 1.00 1.43 C ATOM 96 C ASN A 7 -14.271 -1.920 -12.937 1.00 50.03 C ATOM 97 O ASN A 7 -14.048 -1.722 -11.743 1.00 31.41 O ATOM 98 CB ASN A 7 -14.860 -0.528 -14.931 1.00 22.55 C ATOM 99 CG ASN A 7 -14.445 0.605 -15.848 1.00 41.25 C ATOM 100 OD1 ASN A 7 -13.849 1.588 -15.408 1.00 13.42 O ATOM 101 ND2 ASN A 7 -14.758 0.473 -17.131 1.00 63.43 N ATOM 0 H ASN A 7 -12.971 -2.034 -15.645 1.00 60.23 H new ATOM 0 HA ASN A 7 -13.310 -0.097 -13.507 1.00 1.43 H new ATOM 0 HB2 ASN A 7 -15.188 -1.376 -15.532 1.00 22.55 H new ATOM 0 HB3 ASN A 7 -15.714 -0.212 -14.332 1.00 22.55 H new ATOM 0 HD21 ASN A 7 -14.504 1.204 -17.796 1.00 63.43 H new ATOM 0 HD22 ASN A 7 -15.253 -0.359 -17.452 1.00 63.43 H new ATOM 108 N VAL A 8 -14.984 -2.951 -13.378 1.00 24.31 N ATOM 109 CA VAL A 8 -15.558 -3.932 -12.463 1.00 52.54 C ATOM 110 C VAL A 8 -14.972 -5.319 -12.707 1.00 71.31 C ATOM 111 O VAL A 8 -14.148 -5.508 -13.601 1.00 43.15 O ATOM 112 CB VAL A 8 -17.090 -4.001 -12.603 1.00 62.21 C ATOM 113 CG1 VAL A 8 -17.710 -2.631 -12.370 1.00 24.23 C ATOM 114 CG2 VAL A 8 -17.475 -4.544 -13.971 1.00 72.12 C ATOM 0 H VAL A 8 -15.178 -3.129 -14.363 1.00 24.31 H new ATOM 0 HA VAL A 8 -15.308 -3.608 -11.453 1.00 52.54 H new ATOM 0 HB VAL A 8 -17.477 -4.682 -11.845 1.00 62.21 H new ATOM 0 HG11 VAL A 8 -18.793 -2.699 -12.473 1.00 24.23 H new ATOM 0 HG12 VAL A 8 -17.462 -2.285 -11.366 1.00 24.23 H new ATOM 0 HG13 VAL A 8 -17.320 -1.925 -13.103 1.00 24.23 H new ATOM 0 HG21 VAL A 8 -18.561 -4.586 -14.053 1.00 72.12 H new ATOM 0 HG22 VAL A 8 -17.077 -3.890 -14.747 1.00 72.12 H new ATOM 0 HG23 VAL A 8 -17.063 -5.545 -14.094 1.00 72.12 H new ATOM 124 N ARG A 9 -15.405 -6.286 -11.905 1.00 62.51 N ATOM 125 CA ARG A 9 -14.924 -7.657 -12.032 1.00 72.35 C ATOM 126 C ARG A 9 -16.074 -8.651 -11.902 1.00 53.10 C ATOM 127 O ARG A 9 -17.032 -8.415 -11.166 1.00 11.53 O ATOM 128 CB ARG A 9 -13.862 -7.948 -10.971 1.00 54.12 C ATOM 129 CG ARG A 9 -12.647 -7.038 -11.060 1.00 13.32 C ATOM 130 CD ARG A 9 -11.729 -7.216 -9.861 1.00 35.10 C ATOM 131 NE ARG A 9 -11.253 -8.591 -9.735 1.00 75.14 N ATOM 132 CZ ARG A 9 -10.578 -9.042 -8.685 1.00 21.35 C ATOM 133 NH1 ARG A 9 -10.301 -8.231 -7.673 1.00 31.01 N ATOM 134 NH2 ARG A 9 -10.178 -10.306 -8.643 1.00 64.53 N ATOM 0 H ARG A 9 -16.088 -6.146 -11.160 1.00 62.51 H new ATOM 0 HA ARG A 9 -14.480 -7.769 -13.021 1.00 72.35 H new ATOM 0 HB2 ARG A 9 -14.310 -7.846 -9.983 1.00 54.12 H new ATOM 0 HB3 ARG A 9 -13.537 -8.984 -11.068 1.00 54.12 H new ATOM 0 HG2 ARG A 9 -12.097 -7.253 -11.976 1.00 13.32 H new ATOM 0 HG3 ARG A 9 -12.972 -5.999 -11.120 1.00 13.32 H new ATOM 0 HD2 ARG A 9 -10.876 -6.544 -9.955 1.00 35.10 H new ATOM 0 HD3 ARG A 9 -12.260 -6.932 -8.953 1.00 35.10 H new ATOM 0 HE ARG A 9 -11.450 -9.241 -10.496 1.00 75.14 H new ATOM 0 HH11 ARG A 9 -10.607 -7.258 -7.700 1.00 31.01 H new ATOM 0 HH12 ARG A 9 -9.782 -8.580 -6.867 1.00 31.01 H new ATOM 0 HH21 ARG A 9 -10.389 -10.934 -9.419 1.00 64.53 H new ATOM 0 HH22 ARG A 9 -9.659 -10.650 -7.835 1.00 64.53 H new ATOM 148 N ALA A 10 -15.973 -9.763 -12.622 1.00 42.35 N ATOM 149 CA ALA A 10 -17.003 -10.794 -12.586 1.00 31.11 C ATOM 150 C ALA A 10 -16.575 -11.967 -11.712 1.00 32.04 C ATOM 151 O ALA A 10 -15.482 -12.509 -11.874 1.00 42.35 O ATOM 152 CB ALA A 10 -17.321 -11.271 -13.995 1.00 21.23 C ATOM 0 H ALA A 10 -15.188 -9.973 -13.238 1.00 42.35 H new ATOM 0 HA ALA A 10 -17.902 -10.360 -12.150 1.00 31.11 H new ATOM 0 HB1 ALA A 10 -18.092 -12.041 -13.953 1.00 21.23 H new ATOM 0 HB2 ALA A 10 -17.679 -10.432 -14.591 1.00 21.23 H new ATOM 0 HB3 ALA A 10 -16.421 -11.683 -14.451 1.00 21.23 H new ATOM 158 N ARG A 11 -17.443 -12.354 -10.783 1.00 61.11 N ATOM 159 CA ARG A 11 -17.154 -13.462 -9.881 1.00 24.23 C ATOM 160 C ARG A 11 -17.944 -14.706 -10.277 1.00 21.23 C ATOM 161 O ARG A 11 -19.141 -14.805 -10.008 1.00 74.33 O ATOM 162 CB ARG A 11 -17.484 -13.074 -8.439 1.00 1.13 C ATOM 163 CG ARG A 11 -16.855 -13.990 -7.402 1.00 13.52 C ATOM 164 CD ARG A 11 -17.604 -13.934 -6.080 1.00 71.15 C ATOM 165 NE ARG A 11 -17.450 -12.641 -5.418 1.00 24.44 N ATOM 166 CZ ARG A 11 -18.073 -12.314 -4.290 1.00 44.45 C ATOM 167 NH1 ARG A 11 -18.887 -13.181 -3.704 1.00 15.23 N ATOM 168 NH2 ARG A 11 -17.881 -11.119 -3.748 1.00 41.34 N ATOM 0 H ARG A 11 -18.352 -11.916 -10.635 1.00 61.11 H new ATOM 0 HA ARG A 11 -16.090 -13.689 -9.955 1.00 24.23 H new ATOM 0 HB2 ARG A 11 -17.148 -12.053 -8.261 1.00 1.13 H new ATOM 0 HB3 ARG A 11 -18.566 -13.081 -8.309 1.00 1.13 H new ATOM 0 HG2 ARG A 11 -16.850 -15.014 -7.775 1.00 13.52 H new ATOM 0 HG3 ARG A 11 -15.815 -13.703 -7.245 1.00 13.52 H new ATOM 0 HD2 ARG A 11 -18.662 -14.128 -6.254 1.00 71.15 H new ATOM 0 HD3 ARG A 11 -17.239 -14.723 -5.423 1.00 71.15 H new ATOM 0 HE ARG A 11 -16.831 -11.952 -5.844 1.00 24.44 H new ATOM 0 HH11 ARG A 11 -19.036 -14.101 -4.119 1.00 15.23 H new ATOM 0 HH12 ARG A 11 -19.364 -12.928 -2.839 1.00 15.23 H new ATOM 0 HH21 ARG A 11 -17.255 -10.450 -4.197 1.00 41.34 H new ATOM 0 HH22 ARG A 11 -18.359 -10.869 -2.883 1.00 41.34 H new ATOM 182 N ILE A 12 -17.265 -15.653 -10.917 1.00 72.10 N ATOM 183 CA ILE A 12 -17.904 -16.890 -11.350 1.00 32.52 C ATOM 184 C ILE A 12 -17.484 -18.062 -10.470 1.00 3.42 C ATOM 185 O ILE A 12 -16.307 -18.422 -10.417 1.00 30.42 O ATOM 186 CB ILE A 12 -17.565 -17.216 -12.816 1.00 21.11 C ATOM 187 CG1 ILE A 12 -17.949 -16.045 -13.723 1.00 64.45 C ATOM 188 CG2 ILE A 12 -18.276 -18.488 -13.254 1.00 31.14 C ATOM 189 CD1 ILE A 12 -17.363 -16.141 -15.114 1.00 62.21 C ATOM 0 H ILE A 12 -16.273 -15.587 -11.147 1.00 72.10 H new ATOM 0 HA ILE A 12 -18.980 -16.738 -11.260 1.00 32.52 H new ATOM 0 HB ILE A 12 -16.490 -17.378 -12.898 1.00 21.11 H new ATOM 0 HG12 ILE A 12 -19.035 -15.995 -13.798 1.00 64.45 H new ATOM 0 HG13 ILE A 12 -17.618 -15.115 -13.261 1.00 64.45 H new ATOM 0 HG21 ILE A 12 -18.026 -18.705 -14.293 1.00 31.14 H new ATOM 0 HG22 ILE A 12 -17.958 -19.318 -12.623 1.00 31.14 H new ATOM 0 HG23 ILE A 12 -19.354 -18.353 -13.160 1.00 31.14 H new ATOM 0 HD11 ILE A 12 -17.677 -15.278 -15.701 1.00 62.21 H new ATOM 0 HD12 ILE A 12 -16.275 -16.160 -15.050 1.00 62.21 H new ATOM 0 HD13 ILE A 12 -17.714 -17.054 -15.595 1.00 62.21 H new ATOM 201 N TYR A 13 -18.452 -18.655 -9.782 1.00 22.24 N ATOM 202 CA TYR A 13 -18.183 -19.787 -8.902 1.00 43.22 C ATOM 203 C TYR A 13 -19.255 -20.862 -9.054 1.00 45.33 C ATOM 204 O TYR A 13 -20.407 -20.567 -9.372 1.00 61.15 O ATOM 205 CB TYR A 13 -18.112 -19.325 -7.447 1.00 15.24 C ATOM 206 CG TYR A 13 -19.346 -18.581 -6.987 1.00 43.31 C ATOM 207 CD1 TYR A 13 -19.541 -17.246 -7.319 1.00 2.13 C ATOM 208 CD2 TYR A 13 -20.317 -19.214 -6.220 1.00 52.52 C ATOM 209 CE1 TYR A 13 -20.666 -16.562 -6.901 1.00 63.03 C ATOM 210 CE2 TYR A 13 -21.446 -18.538 -5.798 1.00 24.12 C ATOM 211 CZ TYR A 13 -21.616 -17.213 -6.142 1.00 1.25 C ATOM 212 OH TYR A 13 -22.739 -16.537 -5.722 1.00 2.13 O ATOM 0 H TYR A 13 -19.431 -18.371 -9.816 1.00 22.24 H new ATOM 0 HA TYR A 13 -17.222 -20.214 -9.187 1.00 43.22 H new ATOM 0 HB2 TYR A 13 -17.961 -20.193 -6.806 1.00 15.24 H new ATOM 0 HB3 TYR A 13 -17.242 -18.681 -7.321 1.00 15.24 H new ATOM 0 HD1 TYR A 13 -18.800 -16.734 -7.915 1.00 2.13 H new ATOM 0 HD2 TYR A 13 -20.187 -20.251 -5.949 1.00 52.52 H new ATOM 0 HE1 TYR A 13 -20.801 -15.524 -7.167 1.00 63.03 H new ATOM 0 HE2 TYR A 13 -22.191 -19.044 -5.202 1.00 24.12 H new ATOM 0 HH TYR A 13 -23.307 -17.140 -5.199 1.00 2.13 H new ATOM 222 N LYS A 14 -18.867 -22.112 -8.826 1.00 13.24 N ATOM 223 CA LYS A 14 -19.792 -23.233 -8.934 1.00 25.54 C ATOM 224 C LYS A 14 -20.003 -23.898 -7.578 1.00 5.24 C ATOM 225 O LYS A 14 -19.287 -24.825 -7.196 1.00 10.30 O ATOM 226 CB LYS A 14 -19.267 -24.259 -9.941 1.00 13.12 C ATOM 227 CG LYS A 14 -20.080 -25.542 -9.983 1.00 74.43 C ATOM 228 CD LYS A 14 -21.529 -25.271 -10.350 1.00 72.35 C ATOM 229 CE LYS A 14 -22.329 -26.562 -10.456 1.00 0.44 C ATOM 230 NZ LYS A 14 -23.763 -26.355 -10.114 1.00 62.42 N ATOM 0 H LYS A 14 -17.916 -22.374 -8.565 1.00 13.24 H new ATOM 0 HA LYS A 14 -20.750 -22.848 -9.283 1.00 25.54 H new ATOM 0 HB2 LYS A 14 -19.261 -23.810 -10.934 1.00 13.12 H new ATOM 0 HB3 LYS A 14 -18.233 -24.502 -9.694 1.00 13.12 H new ATOM 0 HG2 LYS A 14 -19.642 -26.228 -10.708 1.00 74.43 H new ATOM 0 HG3 LYS A 14 -20.036 -26.034 -9.011 1.00 74.43 H new ATOM 0 HD2 LYS A 14 -21.980 -24.623 -9.599 1.00 72.35 H new ATOM 0 HD3 LYS A 14 -21.571 -24.737 -11.299 1.00 72.35 H new ATOM 0 HE2 LYS A 14 -22.250 -26.956 -11.469 1.00 0.44 H new ATOM 0 HE3 LYS A 14 -21.901 -27.310 -9.789 1.00 0.44 H new ATOM 0 HZ1 LYS A 14 -23.935 -26.667 -9.137 1.00 62.42 H new ATOM 0 HZ2 LYS A 14 -23.999 -25.346 -10.202 1.00 62.42 H new ATOM 0 HZ3 LYS A 14 -24.358 -26.907 -10.764 1.00 62.42 H new ATOM 244 N PRO A 15 -21.009 -23.419 -6.832 1.00 34.20 N ATOM 245 CA PRO A 15 -21.338 -23.955 -5.508 1.00 14.15 C ATOM 246 C PRO A 15 -21.931 -25.357 -5.579 1.00 63.45 C ATOM 247 O PRO A 15 -22.786 -25.636 -6.419 1.00 64.02 O ATOM 248 CB PRO A 15 -22.373 -22.963 -4.970 1.00 63.52 C ATOM 249 CG PRO A 15 -22.992 -22.366 -6.187 1.00 61.34 C ATOM 250 CD PRO A 15 -21.903 -22.317 -7.223 1.00 72.35 C ATOM 0 HA PRO A 15 -20.454 -24.053 -4.878 1.00 14.15 H new ATOM 0 HB2 PRO A 15 -23.118 -23.464 -4.352 1.00 63.52 H new ATOM 0 HB3 PRO A 15 -21.905 -22.200 -4.349 1.00 63.52 H new ATOM 0 HG2 PRO A 15 -23.833 -22.968 -6.533 1.00 61.34 H new ATOM 0 HG3 PRO A 15 -23.378 -21.368 -5.979 1.00 61.34 H new ATOM 0 HD2 PRO A 15 -22.299 -22.458 -8.229 1.00 72.35 H new ATOM 0 HD3 PRO A 15 -21.385 -21.358 -7.216 1.00 72.35 H new ATOM 258 N ALA A 16 -21.472 -26.235 -4.695 1.00 24.35 N ATOM 259 CA ALA A 16 -21.959 -27.609 -4.658 1.00 14.40 C ATOM 260 C ALA A 16 -23.380 -27.672 -4.108 1.00 30.12 C ATOM 261 O ALA A 16 -23.731 -26.944 -3.178 1.00 64.24 O ATOM 262 CB ALA A 16 -21.030 -28.477 -3.823 1.00 11.55 C ATOM 0 H ALA A 16 -20.763 -26.020 -3.994 1.00 24.35 H new ATOM 0 HA ALA A 16 -21.974 -27.990 -5.679 1.00 14.40 H new ATOM 0 HB1 ALA A 16 -21.406 -29.500 -3.805 1.00 11.55 H new ATOM 0 HB2 ALA A 16 -20.031 -28.466 -4.260 1.00 11.55 H new ATOM 0 HB3 ALA A 16 -20.986 -28.088 -2.806 1.00 11.55 H new ATOM 268 N LYS A 17 -24.196 -28.546 -4.689 1.00 24.45 N ATOM 269 CA LYS A 17 -25.580 -28.705 -4.256 1.00 65.13 C ATOM 270 C LYS A 17 -26.015 -30.164 -4.358 1.00 35.32 C ATOM 271 O LYS A 17 -25.676 -30.858 -5.315 1.00 63.05 O ATOM 272 CB LYS A 17 -26.504 -27.826 -5.101 1.00 44.35 C ATOM 273 CG LYS A 17 -26.544 -26.376 -4.650 1.00 22.45 C ATOM 274 CD LYS A 17 -27.357 -26.212 -3.377 1.00 12.23 C ATOM 275 CE LYS A 17 -26.945 -24.965 -2.610 1.00 32.31 C ATOM 276 NZ LYS A 17 -27.568 -23.735 -3.174 1.00 32.53 N ATOM 0 H LYS A 17 -23.923 -29.155 -5.461 1.00 24.45 H new ATOM 0 HA LYS A 17 -25.648 -28.395 -3.213 1.00 65.13 H new ATOM 0 HB2 LYS A 17 -26.179 -27.866 -6.141 1.00 44.35 H new ATOM 0 HB3 LYS A 17 -27.513 -28.236 -5.067 1.00 44.35 H new ATOM 0 HG2 LYS A 17 -25.528 -26.017 -4.483 1.00 22.45 H new ATOM 0 HG3 LYS A 17 -26.974 -25.760 -5.440 1.00 22.45 H new ATOM 0 HD2 LYS A 17 -28.417 -26.154 -3.626 1.00 12.23 H new ATOM 0 HD3 LYS A 17 -27.226 -27.090 -2.744 1.00 12.23 H new ATOM 0 HE2 LYS A 17 -27.232 -25.071 -1.564 1.00 32.31 H new ATOM 0 HE3 LYS A 17 -25.860 -24.866 -2.634 1.00 32.31 H new ATOM 0 HZ1 LYS A 17 -27.262 -22.907 -2.624 1.00 32.53 H new ATOM 0 HZ2 LYS A 17 -27.274 -23.620 -4.165 1.00 32.53 H new ATOM 0 HZ3 LYS A 17 -28.604 -23.818 -3.128 1.00 32.53 H new ATOM 290 N SER A 18 -26.772 -30.621 -3.365 1.00 42.40 N ATOM 291 CA SER A 18 -27.253 -31.997 -3.341 1.00 31.00 C ATOM 292 C SER A 18 -28.774 -32.043 -3.458 1.00 31.11 C ATOM 293 O SER A 18 -29.423 -32.945 -2.927 1.00 51.33 O ATOM 294 CB SER A 18 -26.808 -32.692 -2.053 1.00 23.52 C ATOM 295 OG SER A 18 -26.839 -34.103 -2.198 1.00 35.31 O ATOM 0 H SER A 18 -27.065 -30.058 -2.567 1.00 42.40 H new ATOM 0 HA SER A 18 -26.824 -32.521 -4.195 1.00 31.00 H new ATOM 0 HB2 SER A 18 -25.799 -32.372 -1.793 1.00 23.52 H new ATOM 0 HB3 SER A 18 -27.459 -32.393 -1.231 1.00 23.52 H new ATOM 0 HG SER A 18 -27.725 -34.380 -2.511 1.00 35.31 H new ATOM 301 N THR A 19 -29.337 -31.063 -4.158 1.00 45.14 N ATOM 302 CA THR A 19 -30.781 -30.989 -4.345 1.00 43.24 C ATOM 303 C THR A 19 -31.161 -31.253 -5.797 1.00 63.34 C ATOM 304 O THR A 19 -31.523 -30.334 -6.531 1.00 4.30 O ATOM 305 CB THR A 19 -31.332 -29.614 -3.924 1.00 0.40 C ATOM 306 OG1 THR A 19 -30.664 -29.159 -2.742 1.00 5.40 O ATOM 307 CG2 THR A 19 -32.830 -29.686 -3.669 1.00 2.20 C ATOM 0 H THR A 19 -28.815 -30.309 -4.605 1.00 45.14 H new ATOM 0 HA THR A 19 -31.222 -31.758 -3.711 1.00 43.24 H new ATOM 0 HB THR A 19 -31.151 -28.911 -4.737 1.00 0.40 H new ATOM 0 HG1 THR A 19 -31.019 -28.283 -2.482 1.00 5.40 H new ATOM 0 HG21 THR A 19 -33.196 -28.703 -3.373 1.00 2.20 H new ATOM 0 HG22 THR A 19 -33.339 -30.004 -4.579 1.00 2.20 H new ATOM 0 HG23 THR A 19 -33.029 -30.403 -2.872 1.00 2.20 H new ATOM 315 N MET A 20 -31.077 -32.515 -6.206 1.00 23.22 N ATOM 316 CA MET A 20 -31.416 -32.899 -7.572 1.00 22.13 C ATOM 317 C MET A 20 -32.908 -32.722 -7.833 1.00 14.42 C ATOM 318 O MET A 20 -33.715 -33.576 -7.470 1.00 72.21 O ATOM 319 CB MET A 20 -31.010 -34.352 -7.830 1.00 72.11 C ATOM 320 CG MET A 20 -31.015 -34.731 -9.302 1.00 3.21 C ATOM 321 SD MET A 20 -30.202 -36.310 -9.615 1.00 2.12 S ATOM 322 CE MET A 20 -30.143 -36.311 -11.405 1.00 41.02 C ATOM 0 H MET A 20 -30.778 -33.288 -5.612 1.00 23.22 H new ATOM 0 HA MET A 20 -30.867 -32.248 -8.253 1.00 22.13 H new ATOM 0 HB2 MET A 20 -30.013 -34.520 -7.423 1.00 72.11 H new ATOM 0 HB3 MET A 20 -31.690 -35.012 -7.291 1.00 72.11 H new ATOM 0 HG2 MET A 20 -32.044 -34.780 -9.657 1.00 3.21 H new ATOM 0 HG3 MET A 20 -30.517 -33.950 -9.876 1.00 3.21 H new ATOM 0 HE1 MET A 20 -29.666 -37.227 -11.753 1.00 41.02 H new ATOM 0 HE2 MET A 20 -31.156 -36.256 -11.802 1.00 41.02 H new ATOM 0 HE3 MET A 20 -29.571 -35.450 -11.751 1.00 41.02 H new ATOM 332 N GLN A 21 -33.265 -31.608 -8.463 1.00 42.20 N ATOM 333 CA GLN A 21 -34.661 -31.319 -8.771 1.00 2.40 C ATOM 334 C GLN A 21 -35.224 -32.340 -9.753 1.00 24.21 C ATOM 335 O GLN A 21 -34.477 -32.993 -10.483 1.00 13.11 O ATOM 336 CB GLN A 21 -34.796 -29.909 -9.350 1.00 31.13 C ATOM 337 CG GLN A 21 -34.910 -28.825 -8.290 1.00 2.22 C ATOM 338 CD GLN A 21 -35.711 -27.628 -8.763 1.00 62.13 C ATOM 339 OE1 GLN A 21 -36.665 -27.769 -9.528 1.00 44.34 O ATOM 340 NE2 GLN A 21 -35.327 -26.441 -8.309 1.00 4.11 N ATOM 0 H GLN A 21 -32.608 -30.891 -8.770 1.00 42.20 H new ATOM 0 HA GLN A 21 -35.232 -31.380 -7.844 1.00 2.40 H new ATOM 0 HB2 GLN A 21 -33.932 -29.700 -9.980 1.00 31.13 H new ATOM 0 HB3 GLN A 21 -35.676 -29.872 -9.992 1.00 31.13 H new ATOM 0 HG2 GLN A 21 -35.379 -29.242 -7.399 1.00 2.22 H new ATOM 0 HG3 GLN A 21 -33.911 -28.498 -8.001 1.00 2.22 H new ATOM 0 HE21 GLN A 21 -34.530 -26.370 -7.676 1.00 4.11 H new ATOM 0 HE22 GLN A 21 -35.829 -25.600 -8.593 1.00 4.11 H new ATOM 349 N SER A 22 -36.546 -32.476 -9.766 1.00 15.22 N ATOM 350 CA SER A 22 -37.210 -33.421 -10.656 1.00 21.42 C ATOM 351 C SER A 22 -37.820 -32.702 -11.856 1.00 4.44 C ATOM 352 O SER A 22 -37.716 -31.483 -11.981 1.00 72.32 O ATOM 353 CB SER A 22 -38.296 -34.188 -9.900 1.00 73.41 C ATOM 354 OG SER A 22 -37.736 -34.986 -8.872 1.00 22.44 O ATOM 0 H SER A 22 -37.179 -31.943 -9.170 1.00 15.22 H new ATOM 0 HA SER A 22 -36.463 -34.126 -11.020 1.00 21.42 H new ATOM 0 HB2 SER A 22 -39.010 -33.485 -9.471 1.00 73.41 H new ATOM 0 HB3 SER A 22 -38.849 -34.820 -10.595 1.00 73.41 H new ATOM 0 HG SER A 22 -38.451 -35.464 -8.403 1.00 22.44 H new ATOM 360 N GLY A 23 -38.457 -33.469 -12.735 1.00 42.55 N ATOM 361 CA GLY A 23 -39.073 -32.889 -13.914 1.00 63.35 C ATOM 362 C GLY A 23 -38.060 -32.527 -14.982 1.00 2.45 C ATOM 363 O GLY A 23 -37.867 -33.271 -15.943 1.00 23.30 O ATOM 0 H GLY A 23 -38.558 -34.481 -12.652 1.00 42.55 H new ATOM 0 HA2 GLY A 23 -39.794 -33.594 -14.327 1.00 63.35 H new ATOM 0 HA3 GLY A 23 -39.628 -31.996 -13.627 1.00 63.35 H new ATOM 367 N HIS A 24 -37.410 -31.380 -14.813 1.00 4.31 N ATOM 368 CA HIS A 24 -36.410 -30.920 -15.770 1.00 71.12 C ATOM 369 C HIS A 24 -35.018 -31.404 -15.377 1.00 51.23 C ATOM 370 O HIS A 24 -34.732 -31.613 -14.199 1.00 31.44 O ATOM 371 CB HIS A 24 -36.426 -29.393 -15.862 1.00 4.33 C ATOM 372 CG HIS A 24 -37.649 -28.846 -16.528 1.00 75.31 C ATOM 373 ND1 HIS A 24 -37.610 -27.825 -17.454 1.00 43.52 N ATOM 374 CD2 HIS A 24 -38.955 -29.183 -16.398 1.00 24.12 C ATOM 375 CE1 HIS A 24 -38.837 -27.557 -17.865 1.00 3.02 C ATOM 376 NE2 HIS A 24 -39.671 -28.368 -17.239 1.00 53.14 N ATOM 0 H HIS A 24 -37.558 -30.752 -14.023 1.00 4.31 H new ATOM 0 HA HIS A 24 -36.658 -31.338 -16.746 1.00 71.12 H new ATOM 0 HB2 HIS A 24 -36.352 -28.976 -14.858 1.00 4.33 H new ATOM 0 HB3 HIS A 24 -35.544 -29.061 -16.411 1.00 4.33 H new ATOM 0 HD2 HIS A 24 -39.358 -29.950 -15.753 1.00 24.12 H new ATOM 0 HE1 HIS A 24 -39.111 -26.804 -18.589 1.00 3.02 H new ATOM 0 HE2 HIS A 24 -40.684 -28.386 -17.361 1.00 53.14 H new ATOM 384 N SER A 25 -34.155 -31.580 -16.373 1.00 44.51 N ATOM 385 CA SER A 25 -32.793 -32.044 -16.131 1.00 74.11 C ATOM 386 C SER A 25 -31.779 -30.961 -16.490 1.00 32.05 C ATOM 387 O SER A 25 -30.745 -31.239 -17.096 1.00 42.12 O ATOM 388 CB SER A 25 -32.513 -33.310 -16.942 1.00 5.32 C ATOM 389 OG SER A 25 -32.327 -33.007 -18.314 1.00 20.23 O ATOM 0 H SER A 25 -34.374 -31.409 -17.354 1.00 44.51 H new ATOM 0 HA SER A 25 -32.695 -32.272 -15.070 1.00 74.11 H new ATOM 0 HB2 SER A 25 -31.624 -33.806 -16.552 1.00 5.32 H new ATOM 0 HB3 SER A 25 -33.342 -34.008 -16.830 1.00 5.32 H new ATOM 0 HG SER A 25 -31.525 -32.454 -18.421 1.00 20.23 H new ATOM 395 N LYS A 26 -32.084 -29.725 -16.109 1.00 4.32 N ATOM 396 CA LYS A 26 -31.200 -28.600 -16.387 1.00 52.31 C ATOM 397 C LYS A 26 -31.624 -27.366 -15.595 1.00 63.32 C ATOM 398 O LYS A 26 -32.814 -27.070 -15.478 1.00 34.15 O ATOM 399 CB LYS A 26 -31.200 -28.282 -17.884 1.00 31.41 C ATOM 400 CG LYS A 26 -32.591 -28.206 -18.489 1.00 10.13 C ATOM 401 CD LYS A 26 -32.618 -27.309 -19.715 1.00 54.10 C ATOM 402 CE LYS A 26 -31.936 -27.968 -20.904 1.00 4.55 C ATOM 403 NZ LYS A 26 -30.474 -27.684 -20.932 1.00 4.02 N ATOM 0 H LYS A 26 -32.937 -29.477 -15.607 1.00 4.32 H new ATOM 0 HA LYS A 26 -30.192 -28.879 -16.081 1.00 52.31 H new ATOM 0 HB2 LYS A 26 -30.690 -27.332 -18.045 1.00 31.41 H new ATOM 0 HB3 LYS A 26 -30.626 -29.045 -18.409 1.00 31.41 H new ATOM 0 HG2 LYS A 26 -32.925 -29.207 -18.762 1.00 10.13 H new ATOM 0 HG3 LYS A 26 -33.292 -27.828 -17.745 1.00 10.13 H new ATOM 0 HD2 LYS A 26 -33.651 -27.073 -19.972 1.00 54.10 H new ATOM 0 HD3 LYS A 26 -32.123 -26.365 -19.487 1.00 54.10 H new ATOM 0 HE2 LYS A 26 -32.096 -29.045 -20.863 1.00 4.55 H new ATOM 0 HE3 LYS A 26 -32.393 -27.613 -21.828 1.00 4.55 H new ATOM 0 HZ1 LYS A 26 -30.130 -27.728 -21.913 1.00 4.02 H new ATOM 0 HZ2 LYS A 26 -30.297 -26.735 -20.546 1.00 4.02 H new ATOM 0 HZ3 LYS A 26 -29.972 -28.390 -20.357 1.00 4.02 H new ATOM 417 N LEU A 27 -30.644 -26.651 -15.054 1.00 74.35 N ATOM 418 CA LEU A 27 -30.916 -25.448 -14.275 1.00 72.52 C ATOM 419 C LEU A 27 -29.632 -24.667 -14.012 1.00 61.45 C ATOM 420 O LEU A 27 -28.542 -25.103 -14.381 1.00 51.31 O ATOM 421 CB LEU A 27 -31.582 -25.815 -12.948 1.00 63.30 C ATOM 422 CG LEU A 27 -31.118 -27.122 -12.303 1.00 65.23 C ATOM 423 CD1 LEU A 27 -29.603 -27.144 -12.172 1.00 11.12 C ATOM 424 CD2 LEU A 27 -31.776 -27.310 -10.944 1.00 64.05 C ATOM 0 H LEU A 27 -29.655 -26.883 -15.140 1.00 74.35 H new ATOM 0 HA LEU A 27 -31.592 -24.817 -14.852 1.00 72.52 H new ATOM 0 HB2 LEU A 27 -31.410 -25.003 -12.241 1.00 63.30 H new ATOM 0 HB3 LEU A 27 -32.658 -25.875 -13.109 1.00 63.30 H new ATOM 0 HG LEU A 27 -31.418 -27.949 -12.947 1.00 65.23 H new ATOM 0 HD11 LEU A 27 -29.291 -28.081 -11.711 1.00 11.12 H new ATOM 0 HD12 LEU A 27 -29.151 -27.058 -13.160 1.00 11.12 H new ATOM 0 HD13 LEU A 27 -29.279 -26.309 -11.551 1.00 11.12 H new ATOM 0 HD21 LEU A 27 -31.434 -28.245 -10.500 1.00 64.05 H new ATOM 0 HD22 LEU A 27 -31.507 -26.479 -10.292 1.00 64.05 H new ATOM 0 HD23 LEU A 27 -32.859 -27.341 -11.065 1.00 64.05 H new ATOM 436 N LYS A 28 -29.770 -23.510 -13.373 1.00 43.30 N ATOM 437 CA LYS A 28 -28.621 -22.669 -13.057 1.00 72.44 C ATOM 438 C LYS A 28 -27.544 -23.469 -12.330 1.00 74.11 C ATOM 439 O LYS A 28 -27.775 -23.987 -11.237 1.00 41.12 O ATOM 440 CB LYS A 28 -29.055 -21.479 -12.199 1.00 14.32 C ATOM 441 CG LYS A 28 -29.968 -21.861 -11.046 1.00 53.33 C ATOM 442 CD LYS A 28 -29.801 -20.916 -9.868 1.00 31.25 C ATOM 443 CE LYS A 28 -31.094 -20.779 -9.078 1.00 21.13 C ATOM 444 NZ LYS A 28 -31.153 -21.739 -7.941 1.00 35.32 N ATOM 0 H LYS A 28 -30.666 -23.133 -13.064 1.00 43.30 H new ATOM 0 HA LYS A 28 -28.204 -22.300 -13.994 1.00 72.44 H new ATOM 0 HB2 LYS A 28 -28.168 -20.986 -11.801 1.00 14.32 H new ATOM 0 HB3 LYS A 28 -29.566 -20.753 -12.831 1.00 14.32 H new ATOM 0 HG2 LYS A 28 -31.005 -21.847 -11.381 1.00 53.33 H new ATOM 0 HG3 LYS A 28 -29.749 -22.881 -10.730 1.00 53.33 H new ATOM 0 HD2 LYS A 28 -29.011 -21.284 -9.214 1.00 31.25 H new ATOM 0 HD3 LYS A 28 -29.487 -19.936 -10.227 1.00 31.25 H new ATOM 0 HE2 LYS A 28 -31.182 -19.761 -8.699 1.00 21.13 H new ATOM 0 HE3 LYS A 28 -31.944 -20.947 -9.740 1.00 21.13 H new ATOM 0 HZ1 LYS A 28 -32.049 -21.614 -7.428 1.00 35.32 H new ATOM 0 HZ2 LYS A 28 -31.095 -22.712 -8.305 1.00 35.32 H new ATOM 0 HZ3 LYS A 28 -30.357 -21.562 -7.296 1.00 35.32 H new ATOM 458 N ALA A 29 -26.369 -23.562 -12.942 1.00 2.42 N ATOM 459 CA ALA A 29 -25.256 -24.295 -12.350 1.00 60.14 C ATOM 460 C ALA A 29 -24.179 -23.342 -11.843 1.00 41.11 C ATOM 461 O ALA A 29 -23.745 -23.435 -10.695 1.00 74.22 O ATOM 462 CB ALA A 29 -24.669 -25.269 -13.360 1.00 62.31 C ATOM 0 H ALA A 29 -26.162 -23.139 -13.847 1.00 2.42 H new ATOM 0 HA ALA A 29 -25.636 -24.858 -11.498 1.00 60.14 H new ATOM 0 HB1 ALA A 29 -23.839 -25.809 -12.905 1.00 62.31 H new ATOM 0 HB2 ALA A 29 -25.437 -25.978 -13.671 1.00 62.31 H new ATOM 0 HB3 ALA A 29 -24.310 -24.719 -14.230 1.00 62.31 H new ATOM 468 N TRP A 30 -23.751 -22.428 -12.706 1.00 53.23 N ATOM 469 CA TRP A 30 -22.723 -21.458 -12.345 1.00 43.35 C ATOM 470 C TRP A 30 -23.344 -20.215 -11.719 1.00 50.51 C ATOM 471 O TRP A 30 -24.491 -19.872 -12.002 1.00 15.35 O ATOM 472 CB TRP A 30 -21.905 -21.069 -13.578 1.00 4.04 C ATOM 473 CG TRP A 30 -20.936 -22.130 -14.007 1.00 75.05 C ATOM 474 CD1 TRP A 30 -21.124 -23.061 -14.989 1.00 4.41 C ATOM 475 CD2 TRP A 30 -19.632 -22.367 -13.468 1.00 5.15 C ATOM 476 NE1 TRP A 30 -20.013 -23.864 -15.092 1.00 2.22 N ATOM 477 CE2 TRP A 30 -19.083 -23.459 -14.170 1.00 72.23 C ATOM 478 CE3 TRP A 30 -18.873 -21.765 -12.461 1.00 43.41 C ATOM 479 CZ2 TRP A 30 -17.813 -23.958 -13.896 1.00 33.13 C ATOM 480 CZ3 TRP A 30 -17.612 -22.261 -12.190 1.00 32.30 C ATOM 481 CH2 TRP A 30 -17.092 -23.348 -12.905 1.00 32.11 C ATOM 0 H TRP A 30 -24.099 -22.338 -13.660 1.00 53.23 H new ATOM 0 HA TRP A 30 -22.063 -21.921 -11.611 1.00 43.35 H new ATOM 0 HB2 TRP A 30 -22.584 -20.853 -14.402 1.00 4.04 H new ATOM 0 HB3 TRP A 30 -21.357 -20.151 -13.367 1.00 4.04 H new ATOM 0 HD1 TRP A 30 -22.014 -23.153 -15.595 1.00 4.41 H new ATOM 0 HE1 TRP A 30 -19.899 -24.636 -15.748 1.00 2.22 H new ATOM 0 HE3 TRP A 30 -19.265 -20.927 -11.904 1.00 43.41 H new ATOM 0 HZ2 TRP A 30 -17.411 -24.796 -14.445 1.00 33.13 H new ATOM 0 HZ3 TRP A 30 -17.017 -21.803 -11.414 1.00 32.30 H new ATOM 0 HH2 TRP A 30 -16.103 -23.712 -12.670 1.00 32.11 H new ATOM 492 N LYS A 31 -22.578 -19.542 -10.865 1.00 61.23 N ATOM 493 CA LYS A 31 -23.052 -18.335 -10.199 1.00 14.01 C ATOM 494 C LYS A 31 -22.162 -17.143 -10.536 1.00 53.41 C ATOM 495 O LYS A 31 -20.975 -17.127 -10.206 1.00 24.53 O ATOM 496 CB LYS A 31 -23.089 -18.545 -8.684 1.00 5.12 C ATOM 497 CG LYS A 31 -23.824 -19.806 -8.263 1.00 65.35 C ATOM 498 CD LYS A 31 -25.255 -19.814 -8.772 1.00 11.14 C ATOM 499 CE LYS A 31 -26.100 -20.849 -8.043 1.00 72.45 C ATOM 500 NZ LYS A 31 -26.019 -22.187 -8.693 1.00 2.35 N ATOM 0 H LYS A 31 -21.626 -19.813 -10.618 1.00 61.23 H new ATOM 0 HA LYS A 31 -24.061 -18.125 -10.555 1.00 14.01 H new ATOM 0 HB2 LYS A 31 -22.067 -18.587 -8.306 1.00 5.12 H new ATOM 0 HB3 LYS A 31 -23.566 -17.683 -8.218 1.00 5.12 H new ATOM 0 HG2 LYS A 31 -23.296 -20.680 -8.645 1.00 65.35 H new ATOM 0 HG3 LYS A 31 -23.823 -19.883 -7.176 1.00 65.35 H new ATOM 0 HD2 LYS A 31 -25.695 -18.825 -8.640 1.00 11.14 H new ATOM 0 HD3 LYS A 31 -25.261 -20.026 -9.841 1.00 11.14 H new ATOM 0 HE2 LYS A 31 -25.766 -20.927 -7.008 1.00 72.45 H new ATOM 0 HE3 LYS A 31 -27.139 -20.519 -8.019 1.00 72.45 H new ATOM 0 HZ1 LYS A 31 -25.989 -22.927 -7.962 1.00 2.35 H new ATOM 0 HZ2 LYS A 31 -26.853 -22.330 -9.297 1.00 2.35 H new ATOM 0 HZ3 LYS A 31 -25.158 -22.239 -9.274 1.00 2.35 H new ATOM 514 N LEU A 32 -22.742 -16.144 -11.193 1.00 23.11 N ATOM 515 CA LEU A 32 -22.001 -14.946 -11.573 1.00 12.24 C ATOM 516 C LEU A 32 -22.336 -13.782 -10.645 1.00 43.12 C ATOM 517 O LEU A 32 -23.506 -13.499 -10.386 1.00 43.43 O ATOM 518 CB LEU A 32 -22.315 -14.566 -13.020 1.00 62.23 C ATOM 519 CG LEU A 32 -21.560 -13.358 -13.576 1.00 1.22 C ATOM 520 CD1 LEU A 32 -22.236 -12.064 -13.151 1.00 13.02 C ATOM 521 CD2 LEU A 32 -20.109 -13.380 -13.119 1.00 21.24 C ATOM 0 H LEU A 32 -23.723 -16.140 -11.473 1.00 23.11 H new ATOM 0 HA LEU A 32 -20.937 -15.163 -11.484 1.00 12.24 H new ATOM 0 HB2 LEU A 32 -22.102 -15.426 -13.655 1.00 62.23 H new ATOM 0 HB3 LEU A 32 -23.384 -14.369 -13.099 1.00 62.23 H new ATOM 0 HG LEU A 32 -21.578 -13.412 -14.665 1.00 1.22 H new ATOM 0 HD11 LEU A 32 -21.685 -11.215 -13.556 1.00 13.02 H new ATOM 0 HD12 LEU A 32 -23.258 -12.046 -13.529 1.00 13.02 H new ATOM 0 HD13 LEU A 32 -22.250 -12.001 -12.063 1.00 13.02 H new ATOM 0 HD21 LEU A 32 -19.587 -12.513 -13.524 1.00 21.24 H new ATOM 0 HD22 LEU A 32 -20.070 -13.351 -12.030 1.00 21.24 H new ATOM 0 HD23 LEU A 32 -19.629 -14.292 -13.475 1.00 21.24 H new ATOM 533 N GLU A 33 -21.302 -13.110 -10.149 1.00 65.23 N ATOM 534 CA GLU A 33 -21.487 -11.977 -9.252 1.00 55.31 C ATOM 535 C GLU A 33 -20.516 -10.849 -9.591 1.00 24.45 C ATOM 536 O GLU A 33 -19.328 -10.924 -9.278 1.00 12.12 O ATOM 537 CB GLU A 33 -21.293 -12.411 -7.797 1.00 21.40 C ATOM 538 CG GLU A 33 -22.576 -12.862 -7.120 1.00 35.31 C ATOM 539 CD GLU A 33 -23.368 -11.705 -6.541 1.00 2.12 C ATOM 540 OE1 GLU A 33 -23.466 -10.658 -7.216 1.00 13.43 O ATOM 541 OE2 GLU A 33 -23.887 -11.846 -5.415 1.00 55.31 O ATOM 0 H GLU A 33 -20.328 -13.331 -10.354 1.00 65.23 H new ATOM 0 HA GLU A 33 -22.505 -11.608 -9.381 1.00 55.31 H new ATOM 0 HB2 GLU A 33 -20.569 -13.225 -7.763 1.00 21.40 H new ATOM 0 HB3 GLU A 33 -20.867 -11.581 -7.233 1.00 21.40 H new ATOM 0 HG2 GLU A 33 -23.195 -13.396 -7.841 1.00 35.31 H new ATOM 0 HG3 GLU A 33 -22.334 -13.566 -6.324 1.00 35.31 H new ATOM 548 N PHE A 34 -21.031 -9.806 -10.234 1.00 4.21 N ATOM 549 CA PHE A 34 -20.210 -8.664 -10.618 1.00 42.33 C ATOM 550 C PHE A 34 -20.096 -7.666 -9.470 1.00 30.14 C ATOM 551 O PHE A 34 -21.074 -7.387 -8.777 1.00 23.32 O ATOM 552 CB PHE A 34 -20.800 -7.976 -11.851 1.00 73.11 C ATOM 553 CG PHE A 34 -22.181 -7.428 -11.628 1.00 5.25 C ATOM 554 CD1 PHE A 34 -22.359 -6.171 -11.074 1.00 34.31 C ATOM 555 CD2 PHE A 34 -23.299 -8.170 -11.972 1.00 62.10 C ATOM 556 CE1 PHE A 34 -23.629 -5.664 -10.867 1.00 14.41 C ATOM 557 CE2 PHE A 34 -24.571 -7.668 -11.769 1.00 1.44 C ATOM 558 CZ PHE A 34 -24.736 -6.414 -11.215 1.00 1.35 C ATOM 0 H PHE A 34 -22.013 -9.728 -10.500 1.00 4.21 H new ATOM 0 HA PHE A 34 -19.212 -9.030 -10.858 1.00 42.33 H new ATOM 0 HB2 PHE A 34 -20.140 -7.163 -12.155 1.00 73.11 H new ATOM 0 HB3 PHE A 34 -20.829 -8.688 -12.676 1.00 73.11 H new ATOM 0 HD1 PHE A 34 -21.497 -5.581 -10.801 1.00 34.31 H new ATOM 0 HD2 PHE A 34 -23.176 -9.152 -12.404 1.00 62.10 H new ATOM 0 HE1 PHE A 34 -23.755 -4.683 -10.434 1.00 14.41 H new ATOM 0 HE2 PHE A 34 -25.434 -8.256 -12.043 1.00 1.44 H new ATOM 0 HZ PHE A 34 -25.729 -6.020 -11.054 1.00 1.35 H new ATOM 568 N GLU A 35 -18.895 -7.131 -9.276 1.00 53.20 N ATOM 569 CA GLU A 35 -18.653 -6.164 -8.211 1.00 25.53 C ATOM 570 C GLU A 35 -19.284 -4.816 -8.545 1.00 71.34 C ATOM 571 O GLU A 35 -19.581 -4.511 -9.701 1.00 24.31 O ATOM 572 CB GLU A 35 -17.151 -5.993 -7.979 1.00 43.32 C ATOM 573 CG GLU A 35 -16.579 -6.955 -6.950 1.00 72.02 C ATOM 574 CD GLU A 35 -15.109 -6.709 -6.674 1.00 52.21 C ATOM 575 OE1 GLU A 35 -14.791 -5.707 -5.999 1.00 75.32 O ATOM 576 OE2 GLU A 35 -14.275 -7.517 -7.134 1.00 1.41 O ATOM 0 H GLU A 35 -18.075 -7.350 -9.842 1.00 53.20 H new ATOM 0 HA GLU A 35 -19.113 -6.544 -7.299 1.00 25.53 H new ATOM 0 HB2 GLU A 35 -16.628 -6.133 -8.925 1.00 43.32 H new ATOM 0 HB3 GLU A 35 -16.956 -4.971 -7.655 1.00 43.32 H new ATOM 0 HG2 GLU A 35 -17.140 -6.862 -6.020 1.00 72.02 H new ATOM 0 HG3 GLU A 35 -16.712 -7.978 -7.301 1.00 72.02 H new ATOM 583 N PRO A 36 -19.495 -3.988 -7.512 1.00 2.41 N ATOM 584 CA PRO A 36 -20.092 -2.660 -7.671 1.00 13.43 C ATOM 585 C PRO A 36 -19.161 -1.686 -8.386 1.00 5.41 C ATOM 586 O PRO A 36 -17.939 -1.805 -8.299 1.00 1.15 O ATOM 587 CB PRO A 36 -20.335 -2.206 -6.229 1.00 53.33 C ATOM 588 CG PRO A 36 -19.336 -2.959 -5.421 1.00 32.55 C ATOM 589 CD PRO A 36 -19.165 -4.286 -6.107 1.00 43.12 C ATOM 0 HA PRO A 36 -20.994 -2.690 -8.282 1.00 13.43 H new ATOM 0 HB2 PRO A 36 -20.198 -1.130 -6.125 1.00 53.33 H new ATOM 0 HB3 PRO A 36 -21.353 -2.430 -5.910 1.00 53.33 H new ATOM 0 HG2 PRO A 36 -18.389 -2.421 -5.370 1.00 32.55 H new ATOM 0 HG3 PRO A 36 -19.683 -3.091 -4.396 1.00 32.55 H new ATOM 0 HD2 PRO A 36 -18.148 -4.663 -6.004 1.00 43.12 H new ATOM 0 HD3 PRO A 36 -19.829 -5.043 -5.690 1.00 43.12 H new ATOM 597 N SER A 37 -19.746 -0.725 -9.092 1.00 74.14 N ATOM 598 CA SER A 37 -18.969 0.267 -9.826 1.00 0.55 C ATOM 599 C SER A 37 -18.901 1.582 -9.056 1.00 32.12 C ATOM 600 O SER A 37 -19.424 1.692 -7.946 1.00 14.13 O ATOM 601 CB SER A 37 -19.579 0.503 -11.209 1.00 2.41 C ATOM 602 OG SER A 37 -18.631 1.078 -12.091 1.00 50.34 O ATOM 0 H SER A 37 -20.757 -0.612 -9.172 1.00 74.14 H new ATOM 0 HA SER A 37 -17.956 -0.117 -9.945 1.00 0.55 H new ATOM 0 HB2 SER A 37 -19.936 -0.442 -11.619 1.00 2.41 H new ATOM 0 HB3 SER A 37 -20.445 1.160 -11.121 1.00 2.41 H new ATOM 0 HG SER A 37 -17.726 0.902 -11.759 1.00 50.34 H new ATOM 608 N CYS A 38 -18.253 2.576 -9.652 1.00 14.33 N ATOM 609 CA CYS A 38 -18.115 3.885 -9.023 1.00 71.21 C ATOM 610 C CYS A 38 -19.208 4.836 -9.500 1.00 74.12 C ATOM 611 O CYS A 38 -19.947 5.406 -8.696 1.00 41.02 O ATOM 612 CB CYS A 38 -16.739 4.478 -9.327 1.00 2.03 C ATOM 613 SG CYS A 38 -16.489 6.142 -8.666 1.00 54.14 S ATOM 0 H CYS A 38 -17.815 2.501 -10.570 1.00 14.33 H new ATOM 0 HA CYS A 38 -18.217 3.755 -7.946 1.00 71.21 H new ATOM 0 HB2 CYS A 38 -15.973 3.818 -8.920 1.00 2.03 H new ATOM 0 HB3 CYS A 38 -16.597 4.503 -10.407 1.00 2.03 H new ATOM 0 HG CYS A 38 -15.296 6.556 -8.973 1.00 54.14 H new ATOM 619 N THR A 39 -19.306 5.005 -10.815 1.00 24.40 N ATOM 620 CA THR A 39 -20.306 5.888 -11.401 1.00 31.02 C ATOM 621 C THR A 39 -21.718 5.405 -11.087 1.00 63.44 C ATOM 622 O THR A 39 -21.926 4.234 -10.769 1.00 44.44 O ATOM 623 CB THR A 39 -20.139 5.993 -12.928 1.00 40.21 C ATOM 624 OG1 THR A 39 -20.244 4.694 -13.522 1.00 43.15 O ATOM 625 CG2 THR A 39 -18.796 6.613 -13.284 1.00 61.53 C ATOM 0 H THR A 39 -18.704 4.541 -11.495 1.00 24.40 H new ATOM 0 HA THR A 39 -20.155 6.873 -10.959 1.00 31.02 H new ATOM 0 HB THR A 39 -20.931 6.634 -13.315 1.00 40.21 H new ATOM 0 HG1 THR A 39 -20.138 4.769 -14.493 1.00 43.15 H new ATOM 0 HG21 THR A 39 -18.701 6.677 -14.368 1.00 61.53 H new ATOM 0 HG22 THR A 39 -18.731 7.613 -12.854 1.00 61.53 H new ATOM 0 HG23 THR A 39 -17.992 5.994 -12.885 1.00 61.53 H new ATOM 633 N GLN A 40 -22.683 6.312 -11.180 1.00 72.12 N ATOM 634 CA GLN A 40 -24.076 5.977 -10.906 1.00 60.24 C ATOM 635 C GLN A 40 -24.751 5.399 -12.146 1.00 42.31 C ATOM 636 O GLN A 40 -24.372 5.713 -13.275 1.00 61.12 O ATOM 637 CB GLN A 40 -24.836 7.214 -10.428 1.00 74.11 C ATOM 638 CG GLN A 40 -26.106 6.889 -9.656 1.00 44.55 C ATOM 639 CD GLN A 40 -25.831 6.507 -8.216 1.00 11.22 C ATOM 640 OE1 GLN A 40 -24.747 6.763 -7.690 1.00 33.10 O ATOM 641 NE2 GLN A 40 -26.813 5.891 -7.568 1.00 54.13 N ATOM 0 H GLN A 40 -22.527 7.285 -11.443 1.00 72.12 H new ATOM 0 HA GLN A 40 -24.093 5.222 -10.120 1.00 60.24 H new ATOM 0 HB2 GLN A 40 -24.179 7.811 -9.796 1.00 74.11 H new ATOM 0 HB3 GLN A 40 -25.093 7.828 -11.291 1.00 74.11 H new ATOM 0 HG2 GLN A 40 -26.771 7.752 -9.678 1.00 44.55 H new ATOM 0 HG3 GLN A 40 -26.629 6.071 -10.152 1.00 44.55 H new ATOM 0 HE21 GLN A 40 -27.695 5.699 -8.043 1.00 54.13 H new ATOM 0 HE22 GLN A 40 -26.685 5.610 -6.596 1.00 54.13 H new ATOM 650 N TYR A 41 -25.751 4.552 -11.929 1.00 53.22 N ATOM 651 CA TYR A 41 -26.477 3.928 -13.029 1.00 13.52 C ATOM 652 C TYR A 41 -27.639 4.806 -13.482 1.00 75.22 C ATOM 653 O TYR A 41 -28.046 5.731 -12.779 1.00 41.44 O ATOM 654 CB TYR A 41 -26.996 2.552 -12.609 1.00 44.40 C ATOM 655 CG TYR A 41 -27.329 1.649 -13.775 1.00 34.11 C ATOM 656 CD1 TYR A 41 -26.403 1.410 -14.781 1.00 44.03 C ATOM 657 CD2 TYR A 41 -28.573 1.037 -13.870 1.00 64.34 C ATOM 658 CE1 TYR A 41 -26.703 0.587 -15.849 1.00 61.11 C ATOM 659 CE2 TYR A 41 -28.883 0.211 -14.934 1.00 43.32 C ATOM 660 CZ TYR A 41 -27.944 -0.012 -15.921 1.00 54.23 C ATOM 661 OH TYR A 41 -28.249 -0.832 -16.983 1.00 22.44 O ATOM 0 H TYR A 41 -26.077 4.282 -11.001 1.00 53.22 H new ATOM 0 HA TYR A 41 -25.788 3.809 -13.865 1.00 13.52 H new ATOM 0 HB2 TYR A 41 -26.246 2.065 -11.986 1.00 44.40 H new ATOM 0 HB3 TYR A 41 -27.887 2.681 -11.994 1.00 44.40 H new ATOM 0 HD1 TYR A 41 -25.430 1.876 -14.728 1.00 44.03 H new ATOM 0 HD2 TYR A 41 -29.310 1.210 -13.100 1.00 64.34 H new ATOM 0 HE1 TYR A 41 -25.970 0.413 -16.623 1.00 61.11 H new ATOM 0 HE2 TYR A 41 -29.854 -0.257 -14.993 1.00 43.32 H new ATOM 0 HH TYR A 41 -29.162 -1.174 -16.881 1.00 22.44 H new ATOM 671 N THR A 42 -28.171 4.508 -14.664 1.00 11.31 N ATOM 672 CA THR A 42 -29.286 5.268 -15.214 1.00 33.22 C ATOM 673 C THR A 42 -30.481 5.256 -14.266 1.00 4.12 C ATOM 674 O THR A 42 -30.682 4.298 -13.521 1.00 20.41 O ATOM 675 CB THR A 42 -29.725 4.713 -16.581 1.00 71.41 C ATOM 676 OG1 THR A 42 -28.577 4.316 -17.340 1.00 12.12 O ATOM 677 CG2 THR A 42 -30.518 5.754 -17.359 1.00 21.25 C ATOM 0 H THR A 42 -27.847 3.745 -15.258 1.00 11.31 H new ATOM 0 HA THR A 42 -28.937 6.293 -15.342 1.00 33.22 H new ATOM 0 HB THR A 42 -30.364 3.847 -16.408 1.00 71.41 H new ATOM 0 HG1 THR A 42 -28.865 3.962 -18.208 1.00 12.12 H new ATOM 0 HG21 THR A 42 -30.817 5.339 -18.321 1.00 21.25 H new ATOM 0 HG22 THR A 42 -31.406 6.033 -16.792 1.00 21.25 H new ATOM 0 HG23 THR A 42 -29.899 6.636 -17.521 1.00 21.25 H new ATOM 685 N GLU A 43 -31.269 6.326 -14.300 1.00 62.03 N ATOM 686 CA GLU A 43 -32.444 6.436 -13.443 1.00 2.20 C ATOM 687 C GLU A 43 -33.487 5.386 -13.813 1.00 14.15 C ATOM 688 O GLU A 43 -33.479 4.825 -14.908 1.00 42.34 O ATOM 689 CB GLU A 43 -33.052 7.836 -13.551 1.00 42.13 C ATOM 690 CG GLU A 43 -32.482 8.827 -12.550 1.00 64.42 C ATOM 691 CD GLU A 43 -31.140 9.387 -12.982 1.00 31.42 C ATOM 692 OE1 GLU A 43 -30.191 8.592 -13.144 1.00 0.42 O ATOM 693 OE2 GLU A 43 -31.041 10.619 -13.158 1.00 45.33 O ATOM 0 H GLU A 43 -31.115 7.128 -14.911 1.00 62.03 H new ATOM 0 HA GLU A 43 -32.129 6.263 -12.414 1.00 2.20 H new ATOM 0 HB2 GLU A 43 -32.889 8.217 -14.559 1.00 42.13 H new ATOM 0 HB3 GLU A 43 -34.130 7.767 -13.407 1.00 42.13 H new ATOM 0 HG2 GLU A 43 -33.187 9.647 -12.415 1.00 64.42 H new ATOM 0 HG3 GLU A 43 -32.373 8.338 -11.582 1.00 64.42 H new ATOM 700 N PRO A 44 -34.408 5.113 -12.877 1.00 32.42 N ATOM 701 CA PRO A 44 -35.476 4.129 -13.080 1.00 2.52 C ATOM 702 C PRO A 44 -36.509 4.597 -14.100 1.00 2.25 C ATOM 703 O PRO A 44 -36.752 5.796 -14.246 1.00 44.03 O ATOM 704 CB PRO A 44 -36.111 4.004 -11.693 1.00 31.11 C ATOM 705 CG PRO A 44 -35.816 5.301 -11.022 1.00 52.23 C ATOM 706 CD PRO A 44 -34.479 5.744 -11.548 1.00 41.41 C ATOM 0 HA PRO A 44 -35.094 3.188 -13.475 1.00 2.52 H new ATOM 0 HB2 PRO A 44 -37.185 3.830 -11.764 1.00 31.11 H new ATOM 0 HB3 PRO A 44 -35.688 3.166 -11.138 1.00 31.11 H new ATOM 0 HG2 PRO A 44 -36.587 6.039 -11.244 1.00 52.23 H new ATOM 0 HG3 PRO A 44 -35.790 5.183 -9.939 1.00 52.23 H new ATOM 0 HD2 PRO A 44 -34.413 6.830 -11.615 1.00 41.41 H new ATOM 0 HD3 PRO A 44 -33.664 5.415 -10.903 1.00 41.41 H new ATOM 714 N LEU A 45 -37.114 3.645 -14.800 1.00 51.41 N ATOM 715 CA LEU A 45 -38.122 3.960 -15.807 1.00 14.14 C ATOM 716 C LEU A 45 -39.416 3.197 -15.539 1.00 61.04 C ATOM 717 O LEU A 45 -39.426 2.215 -14.797 1.00 43.22 O ATOM 718 CB LEU A 45 -37.599 3.625 -17.204 1.00 25.14 C ATOM 719 CG LEU A 45 -37.398 2.140 -17.508 1.00 32.34 C ATOM 720 CD1 LEU A 45 -37.548 1.874 -18.998 1.00 1.35 C ATOM 721 CD2 LEU A 45 -36.036 1.674 -17.015 1.00 5.05 C ATOM 0 H LEU A 45 -36.925 2.649 -14.690 1.00 51.41 H new ATOM 0 HA LEU A 45 -38.333 5.028 -15.752 1.00 14.14 H new ATOM 0 HB2 LEU A 45 -38.293 4.035 -17.938 1.00 25.14 H new ATOM 0 HB3 LEU A 45 -36.647 4.136 -17.346 1.00 25.14 H new ATOM 0 HG LEU A 45 -38.166 1.574 -16.981 1.00 32.34 H new ATOM 0 HD11 LEU A 45 -37.402 0.812 -19.195 1.00 1.35 H new ATOM 0 HD12 LEU A 45 -38.546 2.169 -19.321 1.00 1.35 H new ATOM 0 HD13 LEU A 45 -36.804 2.451 -19.547 1.00 1.35 H new ATOM 0 HD21 LEU A 45 -35.911 0.615 -17.240 1.00 5.05 H new ATOM 0 HD22 LEU A 45 -35.253 2.246 -17.513 1.00 5.05 H new ATOM 0 HD23 LEU A 45 -35.967 1.827 -15.938 1.00 5.05 H new ATOM 733 N MET A 46 -40.504 3.654 -16.150 1.00 22.31 N ATOM 734 CA MET A 46 -41.802 3.011 -15.981 1.00 14.03 C ATOM 735 C MET A 46 -41.836 1.660 -16.686 1.00 22.44 C ATOM 736 O MET A 46 -40.888 1.285 -17.375 1.00 42.21 O ATOM 737 CB MET A 46 -42.915 3.911 -16.522 1.00 45.31 C ATOM 738 CG MET A 46 -42.801 4.187 -18.013 1.00 22.13 C ATOM 739 SD MET A 46 -43.853 5.550 -18.548 1.00 51.12 S ATOM 740 CE MET A 46 -45.170 4.658 -19.372 1.00 24.11 C ATOM 0 H MET A 46 -40.513 4.467 -16.766 1.00 22.31 H new ATOM 0 HA MET A 46 -41.963 2.848 -14.915 1.00 14.03 H new ATOM 0 HB2 MET A 46 -43.879 3.445 -16.320 1.00 45.31 H new ATOM 0 HB3 MET A 46 -42.900 4.858 -15.983 1.00 45.31 H new ATOM 0 HG2 MET A 46 -41.764 4.416 -18.258 1.00 22.13 H new ATOM 0 HG3 MET A 46 -43.069 3.287 -18.567 1.00 22.13 H new ATOM 0 HE1 MET A 46 -45.903 5.366 -19.759 1.00 24.11 H new ATOM 0 HE2 MET A 46 -44.756 4.078 -20.196 1.00 24.11 H new ATOM 0 HE3 MET A 46 -45.654 3.987 -18.663 1.00 24.11 H new ATOM 750 N ASN A 47 -42.933 0.932 -16.509 1.00 34.44 N ATOM 751 CA ASN A 47 -43.090 -0.379 -17.128 1.00 73.44 C ATOM 752 C ASN A 47 -44.555 -0.805 -17.139 1.00 12.11 C ATOM 753 O ASN A 47 -45.372 -0.271 -16.389 1.00 35.12 O ATOM 754 CB ASN A 47 -42.250 -1.420 -16.386 1.00 61.41 C ATOM 755 CG ASN A 47 -41.897 -2.608 -17.261 1.00 11.03 C ATOM 756 OD1 ASN A 47 -42.023 -2.552 -18.484 1.00 21.21 O ATOM 757 ND2 ASN A 47 -41.451 -3.691 -16.635 1.00 24.31 N ATOM 0 H ASN A 47 -43.727 1.228 -15.941 1.00 34.44 H new ATOM 0 HA ASN A 47 -42.743 -0.310 -18.159 1.00 73.44 H new ATOM 0 HB2 ASN A 47 -41.334 -0.953 -16.025 1.00 61.41 H new ATOM 0 HB3 ASN A 47 -42.798 -1.767 -15.510 1.00 61.41 H new ATOM 0 HD21 ASN A 47 -41.197 -4.521 -17.170 1.00 24.31 H new ATOM 0 HD22 ASN A 47 -41.363 -3.693 -15.619 1.00 24.31 H new ATOM 764 N TRP A 48 -44.880 -1.768 -17.993 1.00 45.14 N ATOM 765 CA TRP A 48 -46.246 -2.266 -18.101 1.00 62.43 C ATOM 766 C TRP A 48 -46.305 -3.762 -17.812 1.00 21.25 C ATOM 767 O TRP A 48 -47.201 -4.462 -18.285 1.00 54.12 O ATOM 768 CB TRP A 48 -46.806 -1.982 -19.495 1.00 73.15 C ATOM 769 CG TRP A 48 -45.939 -2.504 -20.601 1.00 41.34 C ATOM 770 CD1 TRP A 48 -45.885 -3.787 -21.064 1.00 61.11 C ATOM 771 CD2 TRP A 48 -45.002 -1.754 -21.382 1.00 2.32 C ATOM 772 NE1 TRP A 48 -44.970 -3.881 -22.085 1.00 34.11 N ATOM 773 CE2 TRP A 48 -44.415 -2.648 -22.299 1.00 73.01 C ATOM 774 CE3 TRP A 48 -44.601 -0.415 -21.395 1.00 71.14 C ATOM 775 CZ2 TRP A 48 -43.450 -2.244 -23.219 1.00 14.12 C ATOM 776 CZ3 TRP A 48 -43.643 -0.016 -22.308 1.00 30.24 C ATOM 777 CH2 TRP A 48 -43.077 -0.928 -23.210 1.00 55.50 C ATOM 0 H TRP A 48 -44.216 -2.220 -18.621 1.00 45.14 H new ATOM 0 HA TRP A 48 -46.854 -1.747 -17.360 1.00 62.43 H new ATOM 0 HB2 TRP A 48 -47.797 -2.428 -19.578 1.00 73.15 H new ATOM 0 HB3 TRP A 48 -46.930 -0.906 -19.617 1.00 73.15 H new ATOM 0 HD1 TRP A 48 -46.475 -4.608 -20.684 1.00 61.11 H new ATOM 0 HE1 TRP A 48 -44.741 -4.731 -22.600 1.00 34.11 H new ATOM 0 HE3 TRP A 48 -45.032 0.295 -20.704 1.00 71.14 H new ATOM 0 HZ2 TRP A 48 -43.012 -2.945 -23.914 1.00 14.12 H new ATOM 0 HZ3 TRP A 48 -43.325 1.016 -22.327 1.00 30.24 H new ATOM 0 HH2 TRP A 48 -42.331 -0.585 -23.912 1.00 55.50 H new ATOM 788 N THR A 49 -45.345 -4.248 -17.030 1.00 60.32 N ATOM 789 CA THR A 49 -45.288 -5.661 -16.679 1.00 11.11 C ATOM 790 C THR A 49 -46.475 -6.060 -15.810 1.00 12.34 C ATOM 791 O THR A 49 -47.284 -5.218 -15.423 1.00 72.03 O ATOM 792 CB THR A 49 -43.983 -6.002 -15.935 1.00 33.14 C ATOM 793 OG1 THR A 49 -43.551 -4.876 -15.162 1.00 31.33 O ATOM 794 CG2 THR A 49 -42.889 -6.401 -16.914 1.00 15.14 C ATOM 0 H THR A 49 -44.597 -3.683 -16.628 1.00 60.32 H new ATOM 0 HA THR A 49 -45.322 -6.221 -17.614 1.00 11.11 H new ATOM 0 HB THR A 49 -44.179 -6.844 -15.272 1.00 33.14 H new ATOM 0 HG1 THR A 49 -42.722 -5.101 -14.691 1.00 31.33 H new ATOM 0 HG21 THR A 49 -41.978 -6.637 -16.365 1.00 15.14 H new ATOM 0 HG22 THR A 49 -43.209 -7.276 -17.480 1.00 15.14 H new ATOM 0 HG23 THR A 49 -42.696 -5.576 -17.600 1.00 15.14 H new ATOM 802 N GLY A 50 -46.573 -7.350 -15.506 1.00 4.04 N ATOM 803 CA GLY A 50 -47.663 -7.838 -14.683 1.00 35.53 C ATOM 804 C GLY A 50 -47.648 -7.246 -13.288 1.00 12.40 C ATOM 805 O GLY A 50 -48.104 -6.121 -13.078 1.00 22.43 O ATOM 0 H GLY A 50 -45.916 -8.066 -15.815 1.00 4.04 H new ATOM 0 HA2 GLY A 50 -48.612 -7.601 -15.164 1.00 35.53 H new ATOM 0 HA3 GLY A 50 -47.603 -8.924 -14.614 1.00 35.53 H new ATOM 809 N SER A 51 -47.124 -8.004 -12.330 1.00 41.13 N ATOM 810 CA SER A 51 -47.056 -7.550 -10.947 1.00 2.31 C ATOM 811 C SER A 51 -45.679 -7.830 -10.350 1.00 63.40 C ATOM 812 O SER A 51 -45.543 -8.630 -9.423 1.00 52.24 O ATOM 813 CB SER A 51 -48.137 -8.235 -10.108 1.00 42.22 C ATOM 814 OG SER A 51 -49.323 -8.421 -10.860 1.00 44.12 O ATOM 0 H SER A 51 -46.740 -8.936 -12.487 1.00 41.13 H new ATOM 0 HA SER A 51 -47.226 -6.473 -10.936 1.00 2.31 H new ATOM 0 HB2 SER A 51 -47.771 -9.199 -9.755 1.00 42.22 H new ATOM 0 HB3 SER A 51 -48.353 -7.633 -9.225 1.00 42.22 H new ATOM 0 HG SER A 51 -49.998 -8.862 -10.303 1.00 44.12 H new ATOM 820 N HIS A 52 -44.661 -7.166 -10.888 1.00 13.13 N ATOM 821 CA HIS A 52 -43.295 -7.342 -10.409 1.00 5.14 C ATOM 822 C HIS A 52 -43.007 -6.414 -9.232 1.00 22.41 C ATOM 823 O HIS A 52 -42.977 -5.193 -9.385 1.00 32.21 O ATOM 824 CB HIS A 52 -42.298 -7.077 -11.538 1.00 53.43 C ATOM 825 CG HIS A 52 -42.290 -8.141 -12.592 1.00 31.32 C ATOM 826 ND1 HIS A 52 -42.551 -9.468 -12.323 1.00 72.45 N ATOM 827 CD2 HIS A 52 -42.051 -8.068 -13.922 1.00 50.33 C ATOM 828 CE1 HIS A 52 -42.472 -10.166 -13.443 1.00 55.11 C ATOM 829 NE2 HIS A 52 -42.171 -9.339 -14.428 1.00 4.51 N ATOM 0 H HIS A 52 -44.756 -6.501 -11.656 1.00 13.13 H new ATOM 0 HA HIS A 52 -43.185 -8.373 -10.071 1.00 5.14 H new ATOM 0 HB2 HIS A 52 -42.533 -6.119 -12.002 1.00 53.43 H new ATOM 0 HB3 HIS A 52 -41.297 -6.989 -11.115 1.00 53.43 H new ATOM 0 HD2 HIS A 52 -41.811 -7.176 -14.481 1.00 50.33 H new ATOM 0 HE1 HIS A 52 -42.627 -11.231 -13.537 1.00 55.11 H new ATOM 0 HE2 HIS A 52 -42.048 -9.602 -15.406 1.00 4.51 H new ATOM 837 N ASP A 53 -42.798 -7.002 -8.059 1.00 60.01 N ATOM 838 CA ASP A 53 -42.513 -6.228 -6.856 1.00 62.23 C ATOM 839 C ASP A 53 -41.202 -5.461 -7.002 1.00 24.15 C ATOM 840 O ASP A 53 -40.273 -5.917 -7.670 1.00 63.40 O ATOM 841 CB ASP A 53 -42.448 -7.148 -5.636 1.00 53.04 C ATOM 842 CG ASP A 53 -41.470 -8.291 -5.825 1.00 1.03 C ATOM 843 OD1 ASP A 53 -40.252 -8.026 -5.893 1.00 12.41 O ATOM 844 OD2 ASP A 53 -41.924 -9.452 -5.903 1.00 52.23 O ATOM 0 H ASP A 53 -42.821 -8.012 -7.916 1.00 60.01 H new ATOM 0 HA ASP A 53 -43.320 -5.509 -6.716 1.00 62.23 H new ATOM 0 HB2 ASP A 53 -42.158 -6.566 -4.761 1.00 53.04 H new ATOM 0 HB3 ASP A 53 -43.440 -7.552 -5.436 1.00 53.04 H new ATOM 849 N THR A 54 -41.134 -4.292 -6.373 1.00 44.12 N ATOM 850 CA THR A 54 -39.939 -3.461 -6.433 1.00 45.45 C ATOM 851 C THR A 54 -38.749 -4.158 -5.783 1.00 22.43 C ATOM 852 O THR A 54 -38.612 -4.162 -4.558 1.00 64.25 O ATOM 853 CB THR A 54 -40.163 -2.102 -5.743 1.00 72.43 C ATOM 854 OG1 THR A 54 -41.537 -1.714 -5.861 1.00 0.30 O ATOM 855 CG2 THR A 54 -39.274 -1.030 -6.355 1.00 23.32 C ATOM 0 H THR A 54 -41.893 -3.900 -5.816 1.00 44.12 H new ATOM 0 HA THR A 54 -39.725 -3.293 -7.489 1.00 45.45 H new ATOM 0 HB THR A 54 -39.904 -2.207 -4.689 1.00 72.43 H new ATOM 0 HG1 THR A 54 -41.672 -0.850 -5.419 1.00 0.30 H new ATOM 0 HG21 THR A 54 -39.450 -0.080 -5.851 1.00 23.32 H new ATOM 0 HG22 THR A 54 -38.228 -1.314 -6.238 1.00 23.32 H new ATOM 0 HG23 THR A 54 -39.505 -0.927 -7.415 1.00 23.32 H new ATOM 863 N LYS A 55 -37.891 -4.747 -6.608 1.00 22.52 N ATOM 864 CA LYS A 55 -36.711 -5.448 -6.113 1.00 32.15 C ATOM 865 C LYS A 55 -35.690 -5.651 -7.228 1.00 74.41 C ATOM 866 O LYS A 55 -35.993 -6.262 -8.253 1.00 12.21 O ATOM 867 CB LYS A 55 -37.108 -6.801 -5.518 1.00 34.15 C ATOM 868 CG LYS A 55 -35.937 -7.579 -4.942 1.00 0.23 C ATOM 869 CD LYS A 55 -36.219 -9.072 -4.916 1.00 1.41 C ATOM 870 CE LYS A 55 -37.341 -9.410 -3.947 1.00 21.14 C ATOM 871 NZ LYS A 55 -37.727 -10.846 -4.024 1.00 12.13 N ATOM 0 H LYS A 55 -37.990 -4.753 -7.623 1.00 22.52 H new ATOM 0 HA LYS A 55 -36.256 -4.835 -5.335 1.00 32.15 H new ATOM 0 HB2 LYS A 55 -37.848 -6.641 -4.734 1.00 34.15 H new ATOM 0 HB3 LYS A 55 -37.588 -7.402 -6.291 1.00 34.15 H new ATOM 0 HG2 LYS A 55 -35.044 -7.387 -5.536 1.00 0.23 H new ATOM 0 HG3 LYS A 55 -35.729 -7.229 -3.931 1.00 0.23 H new ATOM 0 HD2 LYS A 55 -36.487 -9.410 -5.917 1.00 1.41 H new ATOM 0 HD3 LYS A 55 -35.315 -9.609 -4.629 1.00 1.41 H new ATOM 0 HE2 LYS A 55 -37.027 -9.172 -2.931 1.00 21.14 H new ATOM 0 HE3 LYS A 55 -38.209 -8.788 -4.166 1.00 21.14 H new ATOM 0 HZ1 LYS A 55 -38.494 -11.036 -3.348 1.00 12.13 H new ATOM 0 HZ2 LYS A 55 -38.051 -11.067 -4.987 1.00 12.13 H new ATOM 0 HZ3 LYS A 55 -36.905 -11.439 -3.790 1.00 12.13 H new ATOM 885 N GLN A 56 -34.484 -5.134 -7.021 1.00 23.34 N ATOM 886 CA GLN A 56 -33.420 -5.260 -8.010 1.00 21.11 C ATOM 887 C GLN A 56 -32.508 -6.438 -7.681 1.00 14.33 C ATOM 888 O GLN A 56 -32.052 -6.584 -6.547 1.00 13.13 O ATOM 889 CB GLN A 56 -32.602 -3.970 -8.077 1.00 3.10 C ATOM 890 CG GLN A 56 -33.451 -2.718 -8.236 1.00 23.40 C ATOM 891 CD GLN A 56 -32.627 -1.492 -8.575 1.00 21.23 C ATOM 892 OE1 GLN A 56 -32.027 -1.411 -9.646 1.00 52.52 O ATOM 893 NE2 GLN A 56 -32.593 -0.531 -7.660 1.00 74.02 N ATOM 0 H GLN A 56 -34.219 -4.624 -6.178 1.00 23.34 H new ATOM 0 HA GLN A 56 -33.881 -5.441 -8.981 1.00 21.11 H new ATOM 0 HB2 GLN A 56 -32.005 -3.881 -7.170 1.00 3.10 H new ATOM 0 HB3 GLN A 56 -31.905 -4.035 -8.912 1.00 3.10 H new ATOM 0 HG2 GLN A 56 -34.190 -2.882 -9.020 1.00 23.40 H new ATOM 0 HG3 GLN A 56 -34.001 -2.537 -7.312 1.00 23.40 H new ATOM 0 HE21 GLN A 56 -33.106 -0.641 -6.785 1.00 74.02 H new ATOM 0 HE22 GLN A 56 -32.054 0.318 -7.831 1.00 74.02 H new ATOM 902 N GLN A 57 -32.245 -7.274 -8.680 1.00 73.41 N ATOM 903 CA GLN A 57 -31.389 -8.439 -8.495 1.00 25.22 C ATOM 904 C GLN A 57 -29.925 -8.080 -8.726 1.00 21.24 C ATOM 905 O GLN A 57 -29.574 -7.482 -9.743 1.00 63.42 O ATOM 906 CB GLN A 57 -31.806 -9.563 -9.446 1.00 74.01 C ATOM 907 CG GLN A 57 -30.823 -10.720 -9.491 1.00 44.30 C ATOM 908 CD GLN A 57 -30.832 -11.544 -8.218 1.00 75.01 C ATOM 909 OE1 GLN A 57 -29.783 -11.818 -7.634 1.00 14.03 O ATOM 910 NE2 GLN A 57 -32.020 -11.944 -7.782 1.00 14.12 N ATOM 0 H GLN A 57 -32.612 -7.166 -9.625 1.00 73.41 H new ATOM 0 HA GLN A 57 -31.503 -8.782 -7.467 1.00 25.22 H new ATOM 0 HB2 GLN A 57 -32.783 -9.939 -9.143 1.00 74.01 H new ATOM 0 HB3 GLN A 57 -31.919 -9.154 -10.450 1.00 74.01 H new ATOM 0 HG2 GLN A 57 -31.064 -11.363 -10.337 1.00 44.30 H new ATOM 0 HG3 GLN A 57 -29.819 -10.332 -9.661 1.00 44.30 H new ATOM 0 HE21 GLN A 57 -32.863 -11.694 -8.298 1.00 14.12 H new ATOM 0 HE22 GLN A 57 -32.090 -12.502 -6.931 1.00 14.12 H new ATOM 919 N VAL A 58 -29.073 -8.448 -7.774 1.00 5.24 N ATOM 920 CA VAL A 58 -27.646 -8.166 -7.874 1.00 41.40 C ATOM 921 C VAL A 58 -26.865 -9.414 -8.267 1.00 45.03 C ATOM 922 O VAL A 58 -25.848 -9.331 -8.958 1.00 14.42 O ATOM 923 CB VAL A 58 -27.087 -7.621 -6.546 1.00 34.23 C ATOM 924 CG1 VAL A 58 -27.627 -6.226 -6.272 1.00 13.53 C ATOM 925 CG2 VAL A 58 -27.423 -8.564 -5.400 1.00 64.50 C ATOM 0 H VAL A 58 -29.347 -8.942 -6.925 1.00 5.24 H new ATOM 0 HA VAL A 58 -27.527 -7.408 -8.648 1.00 41.40 H new ATOM 0 HB VAL A 58 -26.002 -7.556 -6.628 1.00 34.23 H new ATOM 0 HG11 VAL A 58 -27.221 -5.857 -5.330 1.00 13.53 H new ATOM 0 HG12 VAL A 58 -27.333 -5.557 -7.080 1.00 13.53 H new ATOM 0 HG13 VAL A 58 -28.715 -6.263 -6.209 1.00 13.53 H new ATOM 0 HG21 VAL A 58 -27.021 -8.164 -4.469 1.00 64.50 H new ATOM 0 HG22 VAL A 58 -28.505 -8.662 -5.315 1.00 64.50 H new ATOM 0 HG23 VAL A 58 -26.984 -9.543 -5.594 1.00 64.50 H new ATOM 935 N CYS A 59 -27.345 -10.570 -7.824 1.00 52.11 N ATOM 936 CA CYS A 59 -26.691 -11.838 -8.130 1.00 11.34 C ATOM 937 C CYS A 59 -27.150 -12.374 -9.481 1.00 61.32 C ATOM 938 O CYS A 59 -28.295 -12.166 -9.888 1.00 24.11 O ATOM 939 CB CYS A 59 -26.984 -12.864 -7.034 1.00 15.50 C ATOM 940 SG CYS A 59 -25.772 -14.202 -6.933 1.00 53.34 S ATOM 0 H CYS A 59 -28.185 -10.656 -7.252 1.00 52.11 H new ATOM 0 HA CYS A 59 -25.616 -11.663 -8.176 1.00 11.34 H new ATOM 0 HB2 CYS A 59 -27.025 -12.352 -6.073 1.00 15.50 H new ATOM 0 HB3 CYS A 59 -27.970 -13.294 -7.208 1.00 15.50 H new ATOM 0 HG CYS A 59 -26.104 -15.017 -5.976 1.00 53.34 H new ATOM 946 N LEU A 60 -26.252 -13.064 -10.175 1.00 5.41 N ATOM 947 CA LEU A 60 -26.564 -13.631 -11.483 1.00 54.30 C ATOM 948 C LEU A 60 -26.246 -15.121 -11.520 1.00 61.41 C ATOM 949 O LEU A 60 -25.426 -15.611 -10.744 1.00 25.42 O ATOM 950 CB LEU A 60 -25.779 -12.902 -12.575 1.00 24.33 C ATOM 951 CG LEU A 60 -26.603 -12.040 -13.532 1.00 53.32 C ATOM 952 CD1 LEU A 60 -25.694 -11.152 -14.368 1.00 21.52 C ATOM 953 CD2 LEU A 60 -27.468 -12.914 -14.427 1.00 72.32 C ATOM 0 H LEU A 60 -25.301 -13.245 -9.854 1.00 5.41 H new ATOM 0 HA LEU A 60 -27.631 -13.503 -11.663 1.00 54.30 H new ATOM 0 HB2 LEU A 60 -25.034 -12.267 -12.096 1.00 24.33 H new ATOM 0 HB3 LEU A 60 -25.237 -13.644 -13.161 1.00 24.33 H new ATOM 0 HG LEU A 60 -27.258 -11.400 -12.941 1.00 53.32 H new ATOM 0 HD11 LEU A 60 -26.298 -10.546 -15.043 1.00 21.52 H new ATOM 0 HD12 LEU A 60 -25.119 -10.500 -13.711 1.00 21.52 H new ATOM 0 HD13 LEU A 60 -25.013 -11.773 -14.950 1.00 21.52 H new ATOM 0 HD21 LEU A 60 -28.047 -12.283 -15.101 1.00 72.32 H new ATOM 0 HD22 LEU A 60 -26.832 -13.580 -15.010 1.00 72.32 H new ATOM 0 HD23 LEU A 60 -28.146 -13.506 -13.812 1.00 72.32 H new ATOM 965 N SER A 61 -26.900 -15.838 -12.429 1.00 53.13 N ATOM 966 CA SER A 61 -26.688 -17.274 -12.568 1.00 60.52 C ATOM 967 C SER A 61 -26.633 -17.676 -14.039 1.00 73.31 C ATOM 968 O SER A 61 -27.382 -17.153 -14.865 1.00 65.05 O ATOM 969 CB SER A 61 -27.802 -18.045 -11.858 1.00 21.42 C ATOM 970 OG SER A 61 -28.836 -17.173 -11.433 1.00 44.31 O ATOM 0 H SER A 61 -27.581 -15.448 -13.080 1.00 53.13 H new ATOM 0 HA SER A 61 -25.732 -17.522 -12.106 1.00 60.52 H new ATOM 0 HB2 SER A 61 -28.212 -18.799 -12.530 1.00 21.42 H new ATOM 0 HB3 SER A 61 -27.391 -18.574 -10.998 1.00 21.42 H new ATOM 0 HG SER A 61 -29.536 -17.691 -10.984 1.00 44.31 H new ATOM 976 N PHE A 62 -25.741 -18.608 -14.358 1.00 73.41 N ATOM 977 CA PHE A 62 -25.588 -19.080 -15.729 1.00 44.21 C ATOM 978 C PHE A 62 -25.567 -20.605 -15.779 1.00 73.42 C ATOM 979 O PHE A 62 -25.033 -21.262 -14.885 1.00 51.15 O ATOM 980 CB PHE A 62 -24.301 -18.522 -16.341 1.00 52.11 C ATOM 981 CG PHE A 62 -24.367 -17.051 -16.636 1.00 2.30 C ATOM 982 CD1 PHE A 62 -24.904 -16.593 -17.829 1.00 3.11 C ATOM 983 CD2 PHE A 62 -23.891 -16.125 -15.721 1.00 75.34 C ATOM 984 CE1 PHE A 62 -24.966 -15.240 -18.103 1.00 62.15 C ATOM 985 CE2 PHE A 62 -23.952 -14.770 -15.990 1.00 30.24 C ATOM 986 CZ PHE A 62 -24.489 -14.327 -17.184 1.00 21.23 C ATOM 0 H PHE A 62 -25.114 -19.051 -13.686 1.00 73.41 H new ATOM 0 HA PHE A 62 -26.442 -18.726 -16.307 1.00 44.21 H new ATOM 0 HB2 PHE A 62 -23.472 -18.711 -15.659 1.00 52.11 H new ATOM 0 HB3 PHE A 62 -24.084 -19.060 -17.264 1.00 52.11 H new ATOM 0 HD1 PHE A 62 -25.278 -17.302 -18.553 1.00 3.11 H new ATOM 0 HD2 PHE A 62 -23.468 -16.466 -14.788 1.00 75.34 H new ATOM 0 HE1 PHE A 62 -25.388 -14.897 -19.036 1.00 62.15 H new ATOM 0 HE2 PHE A 62 -23.580 -14.058 -15.268 1.00 30.24 H new ATOM 0 HZ PHE A 62 -24.535 -13.269 -17.397 1.00 21.23 H new ATOM 996 N THR A 63 -26.157 -21.163 -16.833 1.00 24.05 N ATOM 997 CA THR A 63 -26.209 -22.610 -17.001 1.00 61.42 C ATOM 998 C THR A 63 -24.835 -23.175 -17.342 1.00 11.15 C ATOM 999 O THR A 63 -24.381 -24.145 -16.734 1.00 33.12 O ATOM 1000 CB THR A 63 -27.205 -23.011 -18.106 1.00 20.14 C ATOM 1001 OG1 THR A 63 -28.328 -22.124 -18.098 1.00 75.02 O ATOM 1002 CG2 THR A 63 -27.682 -24.443 -17.911 1.00 44.51 C ATOM 0 H THR A 63 -26.605 -20.635 -17.582 1.00 24.05 H new ATOM 0 HA THR A 63 -26.543 -23.026 -16.051 1.00 61.42 H new ATOM 0 HB THR A 63 -26.695 -22.942 -19.067 1.00 20.14 H new ATOM 0 HG1 THR A 63 -28.956 -22.384 -18.804 1.00 75.02 H new ATOM 0 HG21 THR A 63 -28.384 -24.704 -18.703 1.00 44.51 H new ATOM 0 HG22 THR A 63 -26.828 -25.119 -17.947 1.00 44.51 H new ATOM 0 HG23 THR A 63 -28.176 -24.533 -16.944 1.00 44.51 H new ATOM 1010 N THR A 64 -24.173 -22.561 -18.319 1.00 14.32 N ATOM 1011 CA THR A 64 -22.850 -23.002 -18.740 1.00 64.43 C ATOM 1012 C THR A 64 -21.808 -21.915 -18.508 1.00 40.03 C ATOM 1013 O THR A 64 -22.134 -20.814 -18.066 1.00 12.03 O ATOM 1014 CB THR A 64 -22.838 -23.400 -20.229 1.00 34.20 C ATOM 1015 OG1 THR A 64 -23.892 -22.723 -20.924 1.00 41.11 O ATOM 1016 CG2 THR A 64 -23.003 -24.903 -20.389 1.00 21.30 C ATOM 0 H THR A 64 -24.533 -21.757 -18.833 1.00 14.32 H new ATOM 0 HA THR A 64 -22.601 -23.874 -18.136 1.00 64.43 H new ATOM 0 HB THR A 64 -21.877 -23.109 -20.653 1.00 34.20 H new ATOM 0 HG1 THR A 64 -23.877 -22.979 -21.870 1.00 41.11 H new ATOM 0 HG21 THR A 64 -22.991 -25.160 -21.448 1.00 21.30 H new ATOM 0 HG22 THR A 64 -22.185 -25.415 -19.883 1.00 21.30 H new ATOM 0 HG23 THR A 64 -23.951 -25.214 -19.951 1.00 21.30 H new ATOM 1024 N ARG A 65 -20.552 -22.230 -18.811 1.00 61.42 N ATOM 1025 CA ARG A 65 -19.462 -21.280 -18.635 1.00 12.21 C ATOM 1026 C ARG A 65 -19.456 -20.245 -19.756 1.00 22.32 C ATOM 1027 O ARG A 65 -19.364 -19.044 -19.505 1.00 54.11 O ATOM 1028 CB ARG A 65 -18.120 -22.012 -18.595 1.00 24.22 C ATOM 1029 CG ARG A 65 -18.178 -23.351 -17.878 1.00 44.52 C ATOM 1030 CD ARG A 65 -18.192 -24.510 -18.864 1.00 11.03 C ATOM 1031 NE ARG A 65 -18.989 -25.633 -18.376 1.00 1.40 N ATOM 1032 CZ ARG A 65 -18.547 -26.515 -17.487 1.00 61.44 C ATOM 1033 NH1 ARG A 65 -17.322 -26.407 -16.991 1.00 54.40 N ATOM 1034 NH2 ARG A 65 -19.331 -27.510 -17.092 1.00 24.21 N ATOM 0 H ARG A 65 -20.265 -23.137 -19.180 1.00 61.42 H new ATOM 0 HA ARG A 65 -19.614 -20.763 -17.688 1.00 12.21 H new ATOM 0 HB2 ARG A 65 -17.772 -22.171 -19.616 1.00 24.22 H new ATOM 0 HB3 ARG A 65 -17.384 -21.377 -18.102 1.00 24.22 H new ATOM 0 HG2 ARG A 65 -17.319 -23.447 -17.214 1.00 44.52 H new ATOM 0 HG3 ARG A 65 -19.070 -23.392 -17.253 1.00 44.52 H new ATOM 0 HD2 ARG A 65 -18.592 -24.169 -19.819 1.00 11.03 H new ATOM 0 HD3 ARG A 65 -17.170 -24.843 -19.047 1.00 11.03 H new ATOM 0 HE ARG A 65 -19.936 -25.746 -18.738 1.00 1.40 H new ATOM 0 HH11 ARG A 65 -16.715 -25.644 -17.292 1.00 54.40 H new ATOM 0 HH12 ARG A 65 -16.986 -27.087 -16.308 1.00 54.40 H new ATOM 0 HH21 ARG A 65 -20.274 -27.598 -17.471 1.00 24.21 H new ATOM 0 HH22 ARG A 65 -18.991 -28.187 -16.409 1.00 24.21 H new ATOM 1048 N GLU A 66 -19.554 -20.721 -20.994 1.00 13.03 N ATOM 1049 CA GLU A 66 -19.559 -19.836 -22.153 1.00 42.25 C ATOM 1050 C GLU A 66 -20.573 -18.710 -21.975 1.00 20.51 C ATOM 1051 O GLU A 66 -20.391 -17.608 -22.492 1.00 11.22 O ATOM 1052 CB GLU A 66 -19.876 -20.627 -23.425 1.00 5.43 C ATOM 1053 CG GLU A 66 -19.309 -20.000 -24.687 1.00 60.44 C ATOM 1054 CD GLU A 66 -17.795 -20.067 -24.745 1.00 33.22 C ATOM 1055 OE1 GLU A 66 -17.255 -21.188 -24.856 1.00 55.15 O ATOM 1056 OE2 GLU A 66 -17.152 -19.000 -24.677 1.00 52.44 O ATOM 0 H GLU A 66 -19.631 -21.713 -21.219 1.00 13.03 H new ATOM 0 HA GLU A 66 -18.566 -19.395 -22.245 1.00 42.25 H new ATOM 0 HB2 GLU A 66 -19.481 -21.638 -23.322 1.00 5.43 H new ATOM 0 HB3 GLU A 66 -20.957 -20.716 -23.528 1.00 5.43 H new ATOM 0 HG2 GLU A 66 -19.725 -20.507 -25.558 1.00 60.44 H new ATOM 0 HG3 GLU A 66 -19.625 -18.958 -24.744 1.00 60.44 H new ATOM 1063 N LEU A 67 -21.643 -18.997 -21.240 1.00 62.25 N ATOM 1064 CA LEU A 67 -22.688 -18.010 -20.994 1.00 33.13 C ATOM 1065 C LEU A 67 -22.269 -17.036 -19.898 1.00 74.03 C ATOM 1066 O LEU A 67 -22.556 -15.841 -19.973 1.00 42.04 O ATOM 1067 CB LEU A 67 -23.992 -18.707 -20.601 1.00 41.12 C ATOM 1068 CG LEU A 67 -25.266 -18.161 -21.248 1.00 44.23 C ATOM 1069 CD1 LEU A 67 -25.180 -18.262 -22.763 1.00 63.22 C ATOM 1070 CD2 LEU A 67 -26.488 -18.906 -20.731 1.00 2.21 C ATOM 0 H LEU A 67 -21.809 -19.904 -20.805 1.00 62.25 H new ATOM 0 HA LEU A 67 -22.846 -17.447 -21.914 1.00 33.13 H new ATOM 0 HB2 LEU A 67 -23.905 -19.764 -20.852 1.00 41.12 H new ATOM 0 HB3 LEU A 67 -24.102 -18.644 -19.518 1.00 41.12 H new ATOM 0 HG LEU A 67 -25.366 -17.109 -20.979 1.00 44.23 H new ATOM 0 HD11 LEU A 67 -26.095 -17.869 -23.206 1.00 63.22 H new ATOM 0 HD12 LEU A 67 -24.327 -17.684 -23.118 1.00 63.22 H new ATOM 0 HD13 LEU A 67 -25.056 -19.306 -23.052 1.00 63.22 H new ATOM 0 HD21 LEU A 67 -27.385 -18.504 -21.202 1.00 2.21 H new ATOM 0 HD22 LEU A 67 -26.396 -19.966 -20.970 1.00 2.21 H new ATOM 0 HD23 LEU A 67 -26.559 -18.782 -19.650 1.00 2.21 H new ATOM 1082 N ALA A 68 -21.587 -17.554 -18.882 1.00 14.42 N ATOM 1083 CA ALA A 68 -21.125 -16.728 -17.772 1.00 44.22 C ATOM 1084 C ALA A 68 -19.975 -15.824 -18.203 1.00 24.40 C ATOM 1085 O ALA A 68 -20.105 -14.600 -18.209 1.00 71.22 O ATOM 1086 CB ALA A 68 -20.699 -17.605 -16.604 1.00 34.42 C ATOM 0 H ALA A 68 -21.342 -18.541 -18.804 1.00 14.42 H new ATOM 0 HA ALA A 68 -21.952 -16.094 -17.454 1.00 44.22 H new ATOM 0 HB1 ALA A 68 -20.356 -16.976 -15.783 1.00 34.42 H new ATOM 0 HB2 ALA A 68 -21.546 -18.206 -16.272 1.00 34.42 H new ATOM 0 HB3 ALA A 68 -19.889 -18.263 -16.919 1.00 34.42 H new ATOM 1092 N ILE A 69 -18.850 -16.434 -18.562 1.00 64.21 N ATOM 1093 CA ILE A 69 -17.678 -15.684 -18.994 1.00 54.00 C ATOM 1094 C ILE A 69 -18.039 -14.682 -20.086 1.00 21.31 C ATOM 1095 O ILE A 69 -17.434 -13.615 -20.188 1.00 32.23 O ATOM 1096 CB ILE A 69 -16.572 -16.618 -19.516 1.00 45.23 C ATOM 1097 CG1 ILE A 69 -16.079 -17.536 -18.396 1.00 1.23 C ATOM 1098 CG2 ILE A 69 -15.420 -15.807 -20.089 1.00 43.32 C ATOM 1099 CD1 ILE A 69 -16.688 -18.920 -18.436 1.00 41.10 C ATOM 0 H ILE A 69 -18.726 -17.446 -18.562 1.00 64.21 H new ATOM 0 HA ILE A 69 -17.307 -15.149 -18.120 1.00 54.00 H new ATOM 0 HB ILE A 69 -16.986 -17.237 -20.312 1.00 45.23 H new ATOM 0 HG12 ILE A 69 -14.994 -17.623 -18.460 1.00 1.23 H new ATOM 0 HG13 ILE A 69 -16.306 -17.076 -17.434 1.00 1.23 H new ATOM 0 HG21 ILE A 69 -14.646 -16.482 -20.454 1.00 43.32 H new ATOM 0 HG22 ILE A 69 -15.782 -15.192 -20.912 1.00 43.32 H new ATOM 0 HG23 ILE A 69 -15.005 -15.165 -19.312 1.00 43.32 H new ATOM 0 HD11 ILE A 69 -16.293 -19.515 -17.613 1.00 41.10 H new ATOM 0 HD12 ILE A 69 -17.771 -18.844 -18.341 1.00 41.10 H new ATOM 0 HD13 ILE A 69 -16.440 -19.400 -19.383 1.00 41.10 H new ATOM 1111 N ALA A 70 -19.031 -15.033 -20.898 1.00 15.41 N ATOM 1112 CA ALA A 70 -19.476 -14.162 -21.980 1.00 51.31 C ATOM 1113 C ALA A 70 -19.759 -12.753 -21.470 1.00 44.01 C ATOM 1114 O ALA A 70 -19.321 -11.768 -22.064 1.00 74.13 O ATOM 1115 CB ALA A 70 -20.713 -14.743 -22.649 1.00 0.22 C ATOM 0 H ALA A 70 -19.541 -15.913 -20.827 1.00 15.41 H new ATOM 0 HA ALA A 70 -18.674 -14.098 -22.716 1.00 51.31 H new ATOM 0 HB1 ALA A 70 -21.035 -14.083 -23.455 1.00 0.22 H new ATOM 0 HB2 ALA A 70 -20.478 -15.726 -23.057 1.00 0.22 H new ATOM 0 HB3 ALA A 70 -21.514 -14.837 -21.915 1.00 0.22 H new ATOM 1121 N TYR A 71 -20.494 -12.665 -20.367 1.00 64.32 N ATOM 1122 CA TYR A 71 -20.839 -11.376 -19.779 1.00 73.11 C ATOM 1123 C TYR A 71 -19.593 -10.520 -19.576 1.00 1.23 C ATOM 1124 O TYR A 71 -19.550 -9.359 -19.982 1.00 63.33 O ATOM 1125 CB TYR A 71 -21.558 -11.577 -18.444 1.00 72.35 C ATOM 1126 CG TYR A 71 -22.038 -10.288 -17.816 1.00 21.45 C ATOM 1127 CD1 TYR A 71 -23.160 -9.631 -18.303 1.00 54.12 C ATOM 1128 CD2 TYR A 71 -21.370 -9.730 -16.733 1.00 51.43 C ATOM 1129 CE1 TYR A 71 -23.602 -8.453 -17.732 1.00 74.00 C ATOM 1130 CE2 TYR A 71 -21.805 -8.552 -16.155 1.00 24.42 C ATOM 1131 CZ TYR A 71 -22.921 -7.917 -16.658 1.00 21.44 C ATOM 1132 OH TYR A 71 -23.358 -6.746 -16.086 1.00 14.53 O ATOM 0 H TYR A 71 -20.862 -13.471 -19.862 1.00 64.32 H new ATOM 0 HA TYR A 71 -21.506 -10.857 -20.468 1.00 73.11 H new ATOM 0 HB2 TYR A 71 -22.412 -12.237 -18.596 1.00 72.35 H new ATOM 0 HB3 TYR A 71 -20.885 -12.081 -17.750 1.00 72.35 H new ATOM 0 HD1 TYR A 71 -23.696 -10.048 -19.143 1.00 54.12 H new ATOM 0 HD2 TYR A 71 -20.496 -10.225 -16.336 1.00 51.43 H new ATOM 0 HE1 TYR A 71 -24.476 -7.954 -18.124 1.00 74.00 H new ATOM 0 HE2 TYR A 71 -21.274 -8.131 -15.314 1.00 24.42 H new ATOM 0 HH TYR A 71 -22.768 -6.506 -15.341 1.00 14.53 H new ATOM 1142 N ALA A 72 -18.581 -11.102 -18.941 1.00 45.34 N ATOM 1143 CA ALA A 72 -17.332 -10.395 -18.684 1.00 50.44 C ATOM 1144 C ALA A 72 -16.632 -10.025 -19.988 1.00 61.15 C ATOM 1145 O ALA A 72 -16.326 -8.858 -20.231 1.00 22.21 O ATOM 1146 CB ALA A 72 -16.416 -11.242 -17.813 1.00 53.22 C ATOM 0 H ALA A 72 -18.602 -12.061 -18.595 1.00 45.34 H new ATOM 0 HA ALA A 72 -17.568 -9.472 -18.154 1.00 50.44 H new ATOM 0 HB1 ALA A 72 -15.487 -10.702 -17.629 1.00 53.22 H new ATOM 0 HB2 ALA A 72 -16.908 -11.451 -16.863 1.00 53.22 H new ATOM 0 HB3 ALA A 72 -16.195 -12.180 -18.322 1.00 53.22 H new ATOM 1152 N VAL A 73 -16.381 -11.028 -20.824 1.00 51.24 N ATOM 1153 CA VAL A 73 -15.717 -10.808 -22.104 1.00 75.31 C ATOM 1154 C VAL A 73 -16.404 -9.700 -22.896 1.00 32.34 C ATOM 1155 O VAL A 73 -15.763 -8.984 -23.664 1.00 74.31 O ATOM 1156 CB VAL A 73 -15.696 -12.092 -22.953 1.00 42.24 C ATOM 1157 CG1 VAL A 73 -15.034 -11.832 -24.298 1.00 24.23 C ATOM 1158 CG2 VAL A 73 -14.986 -13.212 -22.208 1.00 10.44 C ATOM 0 H VAL A 73 -16.627 -12.000 -20.638 1.00 51.24 H new ATOM 0 HA VAL A 73 -14.692 -10.511 -21.882 1.00 75.31 H new ATOM 0 HB VAL A 73 -16.725 -12.403 -23.135 1.00 42.24 H new ATOM 0 HG11 VAL A 73 -15.028 -12.751 -24.884 1.00 24.23 H new ATOM 0 HG12 VAL A 73 -15.590 -11.063 -24.834 1.00 24.23 H new ATOM 0 HG13 VAL A 73 -14.009 -11.496 -24.140 1.00 24.23 H new ATOM 0 HG21 VAL A 73 -14.981 -14.112 -22.823 1.00 10.44 H new ATOM 0 HG22 VAL A 73 -13.960 -12.913 -21.993 1.00 10.44 H new ATOM 0 HG23 VAL A 73 -15.508 -13.415 -21.273 1.00 10.44 H new ATOM 1168 N ALA A 74 -17.712 -9.564 -22.702 1.00 62.44 N ATOM 1169 CA ALA A 74 -18.486 -8.543 -23.395 1.00 41.44 C ATOM 1170 C ALA A 74 -17.854 -7.165 -23.223 1.00 52.11 C ATOM 1171 O ALA A 74 -17.881 -6.341 -24.137 1.00 55.40 O ATOM 1172 CB ALA A 74 -19.921 -8.534 -22.892 1.00 53.01 C ATOM 0 H ALA A 74 -18.258 -10.149 -22.070 1.00 62.44 H new ATOM 0 HA ALA A 74 -18.488 -8.784 -24.458 1.00 41.44 H new ATOM 0 HB1 ALA A 74 -20.487 -7.766 -23.419 1.00 53.01 H new ATOM 0 HB2 ALA A 74 -20.376 -9.508 -23.073 1.00 53.01 H new ATOM 0 HB3 ALA A 74 -19.930 -8.322 -21.823 1.00 53.01 H new ATOM 1178 N HIS A 75 -17.287 -6.922 -22.047 1.00 3.43 N ATOM 1179 CA HIS A 75 -16.648 -5.644 -21.754 1.00 64.03 C ATOM 1180 C HIS A 75 -15.218 -5.850 -21.264 1.00 21.43 C ATOM 1181 O HIS A 75 -14.674 -5.018 -20.537 1.00 73.24 O ATOM 1182 CB HIS A 75 -17.453 -4.875 -20.706 1.00 71.34 C ATOM 1183 CG HIS A 75 -17.236 -3.394 -20.753 1.00 1.24 C ATOM 1184 ND1 HIS A 75 -16.703 -2.679 -19.701 1.00 14.43 N ATOM 1185 CD2 HIS A 75 -17.482 -2.493 -21.732 1.00 45.41 C ATOM 1186 CE1 HIS A 75 -16.632 -1.402 -20.032 1.00 12.14 C ATOM 1187 NE2 HIS A 75 -17.097 -1.262 -21.259 1.00 21.43 N ATOM 0 H HIS A 75 -17.257 -7.594 -21.280 1.00 3.43 H new ATOM 0 HA HIS A 75 -16.617 -5.063 -22.676 1.00 64.03 H new ATOM 0 HB2 HIS A 75 -18.513 -5.083 -20.849 1.00 71.34 H new ATOM 0 HB3 HIS A 75 -17.187 -5.242 -19.715 1.00 71.34 H new ATOM 0 HD2 HIS A 75 -17.903 -2.703 -22.704 1.00 45.41 H new ATOM 0 HE1 HIS A 75 -16.257 -0.607 -19.405 1.00 12.14 H new ATOM 0 HE2 HIS A 75 -17.160 -0.383 -21.773 1.00 21.43 H new ATOM 1195 N LYS A 76 -14.616 -6.964 -21.664 1.00 4.22 N ATOM 1196 CA LYS A 76 -13.249 -7.280 -21.266 1.00 25.13 C ATOM 1197 C LYS A 76 -13.091 -7.201 -19.751 1.00 14.15 C ATOM 1198 O LYS A 76 -12.125 -6.627 -19.248 1.00 50.32 O ATOM 1199 CB LYS A 76 -12.265 -6.324 -21.943 1.00 44.42 C ATOM 1200 CG LYS A 76 -10.845 -6.861 -22.010 1.00 61.14 C ATOM 1201 CD LYS A 76 -10.603 -7.640 -23.292 1.00 61.51 C ATOM 1202 CE LYS A 76 -10.925 -9.116 -23.116 1.00 72.44 C ATOM 1203 NZ LYS A 76 -10.260 -9.956 -24.150 1.00 70.50 N ATOM 0 H LYS A 76 -15.053 -7.664 -22.264 1.00 4.22 H new ATOM 0 HA LYS A 76 -13.031 -8.300 -21.583 1.00 25.13 H new ATOM 0 HB2 LYS A 76 -12.613 -6.113 -22.954 1.00 44.42 H new ATOM 0 HB3 LYS A 76 -12.262 -5.377 -21.403 1.00 44.42 H new ATOM 0 HG2 LYS A 76 -10.139 -6.033 -21.947 1.00 61.14 H new ATOM 0 HG3 LYS A 76 -10.658 -7.505 -21.151 1.00 61.14 H new ATOM 0 HD2 LYS A 76 -11.216 -7.226 -24.092 1.00 61.51 H new ATOM 0 HD3 LYS A 76 -9.563 -7.527 -23.597 1.00 61.51 H new ATOM 0 HE2 LYS A 76 -10.608 -9.441 -22.125 1.00 72.44 H new ATOM 0 HE3 LYS A 76 -12.004 -9.261 -23.169 1.00 72.44 H new ATOM 0 HZ1 LYS A 76 -10.504 -10.955 -23.996 1.00 70.50 H new ATOM 0 HZ2 LYS A 76 -10.581 -9.663 -25.095 1.00 70.50 H new ATOM 0 HZ3 LYS A 76 -9.229 -9.838 -24.083 1.00 70.50 H new ATOM 1217 N ILE A 77 -14.045 -7.780 -19.030 1.00 13.21 N ATOM 1218 CA ILE A 77 -14.010 -7.776 -17.573 1.00 2.24 C ATOM 1219 C ILE A 77 -13.290 -9.009 -17.037 1.00 32.21 C ATOM 1220 O ILE A 77 -13.431 -10.106 -17.578 1.00 44.10 O ATOM 1221 CB ILE A 77 -15.427 -7.722 -16.975 1.00 21.40 C ATOM 1222 CG1 ILE A 77 -16.164 -6.474 -17.466 1.00 22.41 C ATOM 1223 CG2 ILE A 77 -15.363 -7.742 -15.455 1.00 63.32 C ATOM 1224 CD1 ILE A 77 -17.666 -6.558 -17.308 1.00 15.14 C ATOM 0 H ILE A 77 -14.852 -8.258 -19.431 1.00 13.21 H new ATOM 0 HA ILE A 77 -13.465 -6.881 -17.273 1.00 2.24 H new ATOM 0 HB ILE A 77 -15.979 -8.602 -17.307 1.00 21.40 H new ATOM 0 HG12 ILE A 77 -15.797 -5.606 -16.918 1.00 22.41 H new ATOM 0 HG13 ILE A 77 -15.926 -6.311 -18.517 1.00 22.41 H new ATOM 0 HG21 ILE A 77 -16.373 -7.703 -15.048 1.00 63.32 H new ATOM 0 HG22 ILE A 77 -14.873 -8.657 -15.123 1.00 63.32 H new ATOM 0 HG23 ILE A 77 -14.797 -6.880 -15.103 1.00 63.32 H new ATOM 0 HD11 ILE A 77 -18.123 -5.639 -17.676 1.00 15.14 H new ATOM 0 HD12 ILE A 77 -18.045 -7.406 -17.879 1.00 15.14 H new ATOM 0 HD13 ILE A 77 -17.914 -6.690 -16.255 1.00 15.14 H new ATOM 1236 N ASP A 78 -12.522 -8.822 -15.970 1.00 22.31 N ATOM 1237 CA ASP A 78 -11.783 -9.921 -15.358 1.00 14.23 C ATOM 1238 C ASP A 78 -12.729 -10.879 -14.639 1.00 51.50 C ATOM 1239 O ASP A 78 -13.268 -10.556 -13.581 1.00 30.41 O ATOM 1240 CB ASP A 78 -10.743 -9.379 -14.376 1.00 10.04 C ATOM 1241 CG ASP A 78 -9.671 -10.400 -14.046 1.00 34.33 C ATOM 1242 OD1 ASP A 78 -9.482 -11.339 -14.846 1.00 23.13 O ATOM 1243 OD2 ASP A 78 -9.023 -10.259 -12.988 1.00 2.12 O ATOM 0 H ASP A 78 -12.394 -7.920 -15.511 1.00 22.31 H new ATOM 0 HA ASP A 78 -11.273 -10.469 -16.150 1.00 14.23 H new ATOM 0 HB2 ASP A 78 -10.276 -8.490 -14.800 1.00 10.04 H new ATOM 0 HB3 ASP A 78 -11.241 -9.070 -13.457 1.00 10.04 H new ATOM 1248 N TYR A 79 -12.925 -12.056 -15.223 1.00 11.44 N ATOM 1249 CA TYR A 79 -13.807 -13.059 -14.640 1.00 21.11 C ATOM 1250 C TYR A 79 -13.005 -14.144 -13.928 1.00 60.22 C ATOM 1251 O TYR A 79 -12.063 -14.706 -14.488 1.00 44.10 O ATOM 1252 CB TYR A 79 -14.686 -13.687 -15.723 1.00 60.02 C ATOM 1253 CG TYR A 79 -13.900 -14.378 -16.814 1.00 52.44 C ATOM 1254 CD1 TYR A 79 -13.463 -13.678 -17.933 1.00 43.12 C ATOM 1255 CD2 TYR A 79 -13.594 -15.731 -16.729 1.00 13.33 C ATOM 1256 CE1 TYR A 79 -12.745 -14.305 -18.933 1.00 52.10 C ATOM 1257 CE2 TYR A 79 -12.875 -16.366 -17.723 1.00 55.02 C ATOM 1258 CZ TYR A 79 -12.454 -15.649 -18.823 1.00 41.34 C ATOM 1259 OH TYR A 79 -11.739 -16.278 -19.816 1.00 60.42 O ATOM 0 H TYR A 79 -12.485 -12.338 -16.099 1.00 11.44 H new ATOM 0 HA TYR A 79 -14.443 -12.563 -13.907 1.00 21.11 H new ATOM 0 HB2 TYR A 79 -15.360 -14.408 -15.260 1.00 60.02 H new ATOM 0 HB3 TYR A 79 -15.308 -12.911 -16.170 1.00 60.02 H new ATOM 0 HD1 TYR A 79 -13.689 -12.626 -18.022 1.00 43.12 H new ATOM 0 HD2 TYR A 79 -13.924 -16.296 -15.870 1.00 13.33 H new ATOM 0 HE1 TYR A 79 -12.413 -13.746 -19.796 1.00 52.10 H new ATOM 0 HE2 TYR A 79 -12.644 -17.418 -17.639 1.00 55.02 H new ATOM 0 HH TYR A 79 -11.619 -17.223 -19.584 1.00 60.42 H new ATOM 1269 N THR A 80 -13.385 -14.435 -12.688 1.00 23.21 N ATOM 1270 CA THR A 80 -12.702 -15.452 -11.898 1.00 33.31 C ATOM 1271 C THR A 80 -13.542 -16.718 -11.789 1.00 25.55 C ATOM 1272 O THR A 80 -14.741 -16.660 -11.516 1.00 22.24 O ATOM 1273 CB THR A 80 -12.380 -14.940 -10.481 1.00 33.12 C ATOM 1274 OG1 THR A 80 -11.717 -15.962 -9.730 1.00 24.23 O ATOM 1275 CG2 THR A 80 -13.648 -14.513 -9.758 1.00 70.22 C ATOM 0 H THR A 80 -14.162 -13.981 -12.209 1.00 23.21 H new ATOM 0 HA THR A 80 -11.770 -15.681 -12.414 1.00 33.31 H new ATOM 0 HB THR A 80 -11.725 -14.074 -10.572 1.00 33.12 H new ATOM 0 HG1 THR A 80 -11.514 -15.628 -8.831 1.00 24.23 H new ATOM 0 HG21 THR A 80 -13.395 -14.155 -8.760 1.00 70.22 H new ATOM 0 HG22 THR A 80 -14.134 -13.714 -10.317 1.00 70.22 H new ATOM 0 HG23 THR A 80 -14.325 -15.363 -9.678 1.00 70.22 H new ATOM 1283 N VAL A 81 -12.905 -17.866 -12.003 1.00 33.24 N ATOM 1284 CA VAL A 81 -13.594 -19.149 -11.926 1.00 10.04 C ATOM 1285 C VAL A 81 -13.222 -19.897 -10.651 1.00 50.00 C ATOM 1286 O VAL A 81 -12.089 -20.354 -10.493 1.00 43.23 O ATOM 1287 CB VAL A 81 -13.266 -20.036 -13.142 1.00 73.03 C ATOM 1288 CG1 VAL A 81 -13.964 -19.512 -14.388 1.00 74.22 C ATOM 1289 CG2 VAL A 81 -11.762 -20.111 -13.356 1.00 62.00 C ATOM 0 H VAL A 81 -11.913 -17.933 -12.231 1.00 33.24 H new ATOM 0 HA VAL A 81 -14.663 -18.934 -11.919 1.00 10.04 H new ATOM 0 HB VAL A 81 -13.633 -21.043 -12.945 1.00 73.03 H new ATOM 0 HG11 VAL A 81 -13.721 -20.151 -15.237 1.00 74.22 H new ATOM 0 HG12 VAL A 81 -15.042 -19.514 -14.229 1.00 74.22 H new ATOM 0 HG13 VAL A 81 -13.630 -18.495 -14.592 1.00 74.22 H new ATOM 0 HG21 VAL A 81 -11.548 -20.742 -14.219 1.00 62.00 H new ATOM 0 HG22 VAL A 81 -11.369 -19.110 -13.532 1.00 62.00 H new ATOM 0 HG23 VAL A 81 -11.289 -20.536 -12.470 1.00 62.00 H new ATOM 1299 N LEU A 82 -14.183 -20.019 -9.742 1.00 21.14 N ATOM 1300 CA LEU A 82 -13.958 -20.714 -8.478 1.00 41.04 C ATOM 1301 C LEU A 82 -14.707 -22.042 -8.446 1.00 30.22 C ATOM 1302 O LEU A 82 -15.936 -22.073 -8.508 1.00 61.41 O ATOM 1303 CB LEU A 82 -14.400 -19.836 -7.306 1.00 61.54 C ATOM 1304 CG LEU A 82 -13.893 -18.394 -7.318 1.00 74.52 C ATOM 1305 CD1 LEU A 82 -14.643 -17.556 -6.295 1.00 1.31 C ATOM 1306 CD2 LEU A 82 -12.396 -18.353 -7.051 1.00 11.30 C ATOM 0 H LEU A 82 -15.125 -19.646 -9.856 1.00 21.14 H new ATOM 0 HA LEU A 82 -12.891 -20.919 -8.388 1.00 41.04 H new ATOM 0 HB2 LEU A 82 -15.490 -19.816 -7.284 1.00 61.54 H new ATOM 0 HB3 LEU A 82 -14.071 -20.308 -6.380 1.00 61.54 H new ATOM 0 HG LEU A 82 -14.077 -17.972 -8.306 1.00 74.52 H new ATOM 0 HD11 LEU A 82 -14.268 -16.533 -6.318 1.00 1.31 H new ATOM 0 HD12 LEU A 82 -15.707 -17.558 -6.532 1.00 1.31 H new ATOM 0 HD13 LEU A 82 -14.492 -17.975 -5.300 1.00 1.31 H new ATOM 0 HD21 LEU A 82 -12.052 -17.319 -7.063 1.00 11.30 H new ATOM 0 HD22 LEU A 82 -12.188 -18.793 -6.076 1.00 11.30 H new ATOM 0 HD23 LEU A 82 -11.873 -18.918 -7.823 1.00 11.30 H new ATOM 1318 N GLN A 83 -13.959 -23.136 -8.346 1.00 10.31 N ATOM 1319 CA GLN A 83 -14.554 -24.466 -8.303 1.00 43.50 C ATOM 1320 C GLN A 83 -14.218 -25.170 -6.993 1.00 22.42 C ATOM 1321 O GLN A 83 -13.091 -25.092 -6.505 1.00 3.21 O ATOM 1322 CB GLN A 83 -14.063 -25.305 -9.486 1.00 34.13 C ATOM 1323 CG GLN A 83 -14.156 -24.585 -10.821 1.00 53.43 C ATOM 1324 CD GLN A 83 -13.744 -25.462 -11.987 1.00 71.11 C ATOM 1325 OE1 GLN A 83 -14.582 -26.099 -12.626 1.00 42.23 O ATOM 1326 NE2 GLN A 83 -12.447 -25.501 -12.270 1.00 11.04 N ATOM 0 H GLN A 83 -12.940 -23.127 -8.293 1.00 10.31 H new ATOM 0 HA GLN A 83 -15.636 -24.355 -8.368 1.00 43.50 H new ATOM 0 HB2 GLN A 83 -13.027 -25.595 -9.310 1.00 34.13 H new ATOM 0 HB3 GLN A 83 -14.647 -26.224 -9.537 1.00 34.13 H new ATOM 0 HG2 GLN A 83 -15.179 -24.241 -10.974 1.00 53.43 H new ATOM 0 HG3 GLN A 83 -13.522 -23.699 -10.796 1.00 53.43 H new ATOM 0 HE21 GLN A 83 -11.787 -24.957 -11.714 1.00 11.04 H new ATOM 0 HE22 GLN A 83 -12.111 -26.075 -13.043 1.00 11.04 H new ATOM 1335 N ASP A 84 -15.205 -25.856 -6.426 1.00 73.40 N ATOM 1336 CA ASP A 84 -15.015 -26.575 -5.172 1.00 70.12 C ATOM 1337 C ASP A 84 -15.709 -27.933 -5.213 1.00 0.21 C ATOM 1338 O ASP A 84 -16.888 -28.028 -5.551 1.00 51.31 O ATOM 1339 CB ASP A 84 -15.550 -25.749 -4.001 1.00 21.21 C ATOM 1340 CG ASP A 84 -15.743 -26.581 -2.747 1.00 35.20 C ATOM 1341 OD1 ASP A 84 -14.770 -26.733 -1.981 1.00 42.44 O ATOM 1342 OD2 ASP A 84 -16.869 -27.080 -2.533 1.00 53.20 O ATOM 0 H ASP A 84 -16.145 -25.929 -6.815 1.00 73.40 H new ATOM 0 HA ASP A 84 -13.946 -26.738 -5.033 1.00 70.12 H new ATOM 0 HB2 ASP A 84 -14.859 -24.933 -3.790 1.00 21.21 H new ATOM 0 HB3 ASP A 84 -16.501 -25.296 -4.283 1.00 21.21 H new ATOM 1347 N ASN A 85 -14.969 -28.982 -4.867 1.00 54.45 N ATOM 1348 CA ASN A 85 -15.513 -30.335 -4.866 1.00 52.44 C ATOM 1349 C ASN A 85 -16.120 -30.677 -6.223 1.00 24.20 C ATOM 1350 O ASN A 85 -17.338 -30.738 -6.389 1.00 25.24 O ATOM 1351 CB ASN A 85 -16.570 -30.481 -3.771 1.00 12.32 C ATOM 1352 CG ASN A 85 -16.828 -31.929 -3.405 1.00 61.11 C ATOM 1353 OD1 ASN A 85 -17.937 -32.436 -3.574 1.00 71.00 O ATOM 1354 ND2 ASN A 85 -15.801 -32.604 -2.902 1.00 0.01 N ATOM 0 H ASN A 85 -13.991 -28.921 -4.584 1.00 54.45 H new ATOM 0 HA ASN A 85 -14.696 -31.029 -4.667 1.00 52.44 H new ATOM 0 HB2 ASN A 85 -16.247 -29.937 -2.883 1.00 12.32 H new ATOM 0 HB3 ASN A 85 -17.501 -30.022 -4.105 1.00 12.32 H new ATOM 0 HD21 ASN A 85 -15.914 -33.583 -2.639 1.00 0.01 H new ATOM 0 HD22 ASN A 85 -14.899 -32.144 -2.779 1.00 0.01 H new ATOM 1361 N PRO A 86 -15.251 -30.907 -7.219 1.00 2.41 N ATOM 1362 CA PRO A 86 -15.678 -31.249 -8.579 1.00 3.02 C ATOM 1363 C PRO A 86 -16.291 -32.643 -8.661 1.00 53.33 C ATOM 1364 O PRO A 86 -15.726 -33.610 -8.149 1.00 73.22 O ATOM 1365 CB PRO A 86 -14.378 -31.188 -9.385 1.00 24.10 C ATOM 1366 CG PRO A 86 -13.301 -31.446 -8.388 1.00 32.21 C ATOM 1367 CD PRO A 86 -13.785 -30.851 -7.094 1.00 43.25 C ATOM 0 HA PRO A 86 -16.454 -30.576 -8.944 1.00 3.02 H new ATOM 0 HB2 PRO A 86 -14.369 -31.935 -10.179 1.00 24.10 H new ATOM 0 HB3 PRO A 86 -14.252 -30.215 -9.861 1.00 24.10 H new ATOM 0 HG2 PRO A 86 -13.116 -32.515 -8.281 1.00 32.21 H new ATOM 0 HG3 PRO A 86 -12.362 -30.989 -8.701 1.00 32.21 H new ATOM 0 HD2 PRO A 86 -13.433 -31.420 -6.234 1.00 43.25 H new ATOM 0 HD3 PRO A 86 -13.432 -29.828 -6.965 1.00 43.25 H new ATOM 1375 N ARG A 87 -17.449 -32.739 -9.307 1.00 43.35 N ATOM 1376 CA ARG A 87 -18.137 -34.015 -9.455 1.00 70.30 C ATOM 1377 C ARG A 87 -18.592 -34.224 -10.896 1.00 43.52 C ATOM 1378 O ARG A 87 -19.116 -33.309 -11.533 1.00 73.21 O ATOM 1379 CB ARG A 87 -19.342 -34.079 -8.515 1.00 72.32 C ATOM 1380 CG ARG A 87 -20.009 -35.445 -8.471 1.00 63.01 C ATOM 1381 CD ARG A 87 -20.857 -35.612 -7.221 1.00 12.34 C ATOM 1382 NE ARG A 87 -21.941 -36.571 -7.418 1.00 51.52 N ATOM 1383 CZ ARG A 87 -22.589 -37.162 -6.420 1.00 73.12 C ATOM 1384 NH1 ARG A 87 -22.267 -36.893 -5.164 1.00 12.44 N ATOM 1385 NH2 ARG A 87 -23.565 -38.024 -6.681 1.00 0.51 N ATOM 0 H ARG A 87 -17.930 -31.948 -9.736 1.00 43.35 H new ATOM 0 HA ARG A 87 -17.437 -34.809 -9.195 1.00 70.30 H new ATOM 0 HB2 ARG A 87 -19.022 -33.808 -7.509 1.00 72.32 H new ATOM 0 HB3 ARG A 87 -20.076 -33.336 -8.827 1.00 72.32 H new ATOM 0 HG2 ARG A 87 -20.633 -35.575 -9.355 1.00 63.01 H new ATOM 0 HG3 ARG A 87 -19.247 -36.224 -8.502 1.00 63.01 H new ATOM 0 HD2 ARG A 87 -20.226 -35.943 -6.396 1.00 12.34 H new ATOM 0 HD3 ARG A 87 -21.275 -34.647 -6.935 1.00 12.34 H new ATOM 0 HE ARG A 87 -22.215 -36.799 -8.374 1.00 51.52 H new ATOM 0 HH11 ARG A 87 -21.519 -36.230 -4.960 1.00 12.44 H new ATOM 0 HH12 ARG A 87 -22.767 -37.349 -4.401 1.00 12.44 H new ATOM 0 HH21 ARG A 87 -23.817 -38.232 -7.647 1.00 0.51 H new ATOM 0 HH22 ARG A 87 -24.063 -38.478 -5.915 1.00 0.51 H new ATOM 1399 N THR A 88 -18.386 -35.434 -11.407 1.00 51.43 N ATOM 1400 CA THR A 88 -18.772 -35.763 -12.774 1.00 13.33 C ATOM 1401 C THR A 88 -18.912 -37.270 -12.958 1.00 1.14 C ATOM 1402 O THR A 88 -18.075 -38.042 -12.488 1.00 2.21 O ATOM 1403 CB THR A 88 -17.748 -35.226 -13.791 1.00 10.32 C ATOM 1404 OG1 THR A 88 -18.203 -35.480 -15.125 1.00 71.32 O ATOM 1405 CG2 THR A 88 -16.387 -35.871 -13.583 1.00 25.35 C ATOM 0 H THR A 88 -17.954 -36.203 -10.894 1.00 51.43 H new ATOM 0 HA THR A 88 -19.736 -35.287 -12.954 1.00 13.33 H new ATOM 0 HB THR A 88 -17.649 -34.151 -13.639 1.00 10.32 H new ATOM 0 HG1 THR A 88 -17.547 -35.134 -15.766 1.00 71.32 H new ATOM 0 HG21 THR A 88 -15.681 -35.475 -14.313 1.00 25.35 H new ATOM 0 HG22 THR A 88 -16.030 -35.651 -12.577 1.00 25.35 H new ATOM 0 HG23 THR A 88 -16.473 -36.950 -13.709 1.00 25.35 H new ATOM 1413 N ILE A 89 -19.972 -37.681 -13.643 1.00 61.52 N ATOM 1414 CA ILE A 89 -20.219 -39.096 -13.891 1.00 41.12 C ATOM 1415 C ILE A 89 -20.915 -39.307 -15.232 1.00 0.13 C ATOM 1416 O ILE A 89 -21.409 -38.359 -15.843 1.00 35.53 O ATOM 1417 CB ILE A 89 -21.078 -39.722 -12.776 1.00 14.21 C ATOM 1418 CG1 ILE A 89 -22.348 -38.898 -12.558 1.00 60.35 C ATOM 1419 CG2 ILE A 89 -20.278 -39.822 -11.485 1.00 43.23 C ATOM 1420 CD1 ILE A 89 -23.342 -39.554 -11.625 1.00 44.33 C ATOM 0 H ILE A 89 -20.674 -37.055 -14.037 1.00 61.52 H new ATOM 0 HA ILE A 89 -19.246 -39.587 -13.908 1.00 41.12 H new ATOM 0 HB ILE A 89 -21.367 -40.728 -13.081 1.00 14.21 H new ATOM 0 HG12 ILE A 89 -22.074 -37.923 -12.156 1.00 60.35 H new ATOM 0 HG13 ILE A 89 -22.827 -38.723 -13.521 1.00 60.35 H new ATOM 0 HG21 ILE A 89 -20.898 -40.266 -10.706 1.00 43.23 H new ATOM 0 HG22 ILE A 89 -19.399 -40.446 -11.649 1.00 43.23 H new ATOM 0 HG23 ILE A 89 -19.963 -38.826 -11.174 1.00 43.23 H new ATOM 0 HD11 ILE A 89 -24.217 -38.913 -11.517 1.00 44.33 H new ATOM 0 HD12 ILE A 89 -23.645 -40.517 -12.035 1.00 44.33 H new ATOM 0 HD13 ILE A 89 -22.880 -39.705 -10.649 1.00 44.33 H new ATOM 1432 N VAL A 90 -20.953 -40.557 -15.683 1.00 43.40 N ATOM 1433 CA VAL A 90 -21.591 -40.893 -16.949 1.00 62.43 C ATOM 1434 C VAL A 90 -22.571 -42.049 -16.782 1.00 32.15 C ATOM 1435 O VAL A 90 -22.325 -43.172 -17.223 1.00 31.55 O ATOM 1436 CB VAL A 90 -20.550 -41.269 -18.021 1.00 11.33 C ATOM 1437 CG1 VAL A 90 -21.217 -41.441 -19.377 1.00 34.23 C ATOM 1438 CG2 VAL A 90 -19.452 -40.217 -18.087 1.00 22.52 C ATOM 0 H VAL A 90 -20.549 -41.353 -15.190 1.00 43.40 H new ATOM 0 HA VAL A 90 -22.133 -40.005 -17.274 1.00 62.43 H new ATOM 0 HB VAL A 90 -20.096 -42.220 -17.744 1.00 11.33 H new ATOM 0 HG11 VAL A 90 -20.466 -41.706 -20.121 1.00 34.23 H new ATOM 0 HG12 VAL A 90 -21.964 -42.233 -19.317 1.00 34.23 H new ATOM 0 HG13 VAL A 90 -21.700 -40.508 -19.666 1.00 34.23 H new ATOM 0 HG21 VAL A 90 -18.725 -40.497 -18.849 1.00 22.52 H new ATOM 0 HG22 VAL A 90 -19.889 -39.251 -18.340 1.00 22.52 H new ATOM 0 HG23 VAL A 90 -18.955 -40.148 -17.119 1.00 22.52 H new ATOM 1448 N PRO A 91 -23.709 -41.770 -16.129 1.00 2.11 N ATOM 1449 CA PRO A 91 -24.750 -42.774 -15.887 1.00 65.14 C ATOM 1450 C PRO A 91 -25.470 -43.182 -17.168 1.00 52.44 C ATOM 1451 O PRO A 91 -25.674 -42.363 -18.065 1.00 50.05 O ATOM 1452 CB PRO A 91 -25.714 -42.063 -14.935 1.00 23.23 C ATOM 1453 CG PRO A 91 -25.517 -40.612 -15.209 1.00 51.32 C ATOM 1454 CD PRO A 91 -24.067 -40.453 -15.575 1.00 52.12 C ATOM 0 HA PRO A 91 -24.338 -43.700 -15.485 1.00 65.14 H new ATOM 0 HB2 PRO A 91 -26.745 -42.364 -15.119 1.00 23.23 H new ATOM 0 HB3 PRO A 91 -25.492 -42.303 -13.895 1.00 23.23 H new ATOM 0 HG2 PRO A 91 -26.163 -40.277 -16.020 1.00 51.32 H new ATOM 0 HG3 PRO A 91 -25.767 -40.012 -14.334 1.00 51.32 H new ATOM 0 HD2 PRO A 91 -23.922 -39.657 -16.305 1.00 52.12 H new ATOM 0 HD3 PRO A 91 -23.458 -40.204 -14.706 1.00 52.12 H new ATOM 1462 N LYS A 92 -25.853 -44.451 -17.248 1.00 24.21 N ATOM 1463 CA LYS A 92 -26.552 -44.968 -18.418 1.00 44.12 C ATOM 1464 C LYS A 92 -28.062 -44.839 -18.251 1.00 73.02 C ATOM 1465 O LYS A 92 -28.715 -45.731 -17.711 1.00 14.23 O ATOM 1466 CB LYS A 92 -26.178 -46.433 -18.655 1.00 70.43 C ATOM 1467 CG LYS A 92 -26.303 -46.866 -20.106 1.00 52.13 C ATOM 1468 CD LYS A 92 -27.757 -47.032 -20.515 1.00 35.42 C ATOM 1469 CE LYS A 92 -27.903 -48.007 -21.673 1.00 50.42 C ATOM 1470 NZ LYS A 92 -27.984 -49.418 -21.204 1.00 33.04 N ATOM 0 H LYS A 92 -25.691 -45.142 -16.515 1.00 24.21 H new ATOM 0 HA LYS A 92 -26.248 -44.377 -19.282 1.00 44.12 H new ATOM 0 HB2 LYS A 92 -25.153 -46.596 -18.323 1.00 70.43 H new ATOM 0 HB3 LYS A 92 -26.817 -47.066 -18.039 1.00 70.43 H new ATOM 0 HG2 LYS A 92 -25.825 -46.127 -20.750 1.00 52.13 H new ATOM 0 HG3 LYS A 92 -25.773 -47.807 -20.253 1.00 52.13 H new ATOM 0 HD2 LYS A 92 -28.337 -47.388 -19.663 1.00 35.42 H new ATOM 0 HD3 LYS A 92 -28.169 -46.064 -20.799 1.00 35.42 H new ATOM 0 HE2 LYS A 92 -28.799 -47.762 -22.243 1.00 50.42 H new ATOM 0 HE3 LYS A 92 -27.055 -47.897 -22.349 1.00 50.42 H new ATOM 0 HZ1 LYS A 92 -28.083 -50.051 -22.023 1.00 33.04 H new ATOM 0 HZ2 LYS A 92 -27.118 -49.660 -20.682 1.00 33.04 H new ATOM 0 HZ3 LYS A 92 -28.808 -49.529 -20.579 1.00 33.04 H new ATOM 1484 N SER A 93 -28.611 -43.722 -18.719 1.00 31.01 N ATOM 1485 CA SER A 93 -30.045 -43.475 -18.619 1.00 64.10 C ATOM 1486 C SER A 93 -30.838 -44.599 -19.280 1.00 62.01 C ATOM 1487 O SER A 93 -30.675 -44.872 -20.469 1.00 24.21 O ATOM 1488 CB SER A 93 -30.400 -42.135 -19.269 1.00 24.42 C ATOM 1489 OG SER A 93 -29.668 -41.940 -20.466 1.00 23.02 O ATOM 0 H SER A 93 -28.085 -42.974 -19.171 1.00 31.01 H new ATOM 0 HA SER A 93 -30.309 -43.440 -17.562 1.00 64.10 H new ATOM 0 HB2 SER A 93 -31.468 -42.103 -19.483 1.00 24.42 H new ATOM 0 HB3 SER A 93 -30.189 -41.323 -18.574 1.00 24.42 H new ATOM 0 HG SER A 93 -29.650 -42.775 -20.978 1.00 23.02 H new ATOM 1495 N TYR A 94 -31.695 -45.247 -18.499 1.00 51.05 N ATOM 1496 CA TYR A 94 -32.511 -46.343 -19.007 1.00 22.44 C ATOM 1497 C TYR A 94 -33.751 -46.546 -18.140 1.00 4.03 C ATOM 1498 O TYR A 94 -33.651 -46.940 -16.978 1.00 53.21 O ATOM 1499 CB TYR A 94 -31.694 -47.636 -19.057 1.00 50.42 C ATOM 1500 CG TYR A 94 -32.386 -48.761 -19.792 1.00 42.41 C ATOM 1501 CD1 TYR A 94 -32.754 -48.623 -21.125 1.00 32.11 C ATOM 1502 CD2 TYR A 94 -32.670 -49.962 -19.155 1.00 32.14 C ATOM 1503 CE1 TYR A 94 -33.388 -49.649 -21.800 1.00 45.45 C ATOM 1504 CE2 TYR A 94 -33.301 -50.994 -19.824 1.00 14.45 C ATOM 1505 CZ TYR A 94 -33.658 -50.832 -21.145 1.00 43.53 C ATOM 1506 OH TYR A 94 -34.287 -51.857 -21.814 1.00 74.33 O ATOM 0 H TYR A 94 -31.842 -45.033 -17.513 1.00 51.05 H new ATOM 0 HA TYR A 94 -32.832 -46.085 -20.016 1.00 22.44 H new ATOM 0 HB2 TYR A 94 -30.737 -47.433 -19.538 1.00 50.42 H new ATOM 0 HB3 TYR A 94 -31.476 -47.958 -18.039 1.00 50.42 H new ATOM 0 HD1 TYR A 94 -32.541 -47.699 -21.642 1.00 32.11 H new ATOM 0 HD2 TYR A 94 -32.393 -50.092 -18.119 1.00 32.14 H new ATOM 0 HE1 TYR A 94 -33.670 -49.525 -22.835 1.00 45.45 H new ATOM 0 HE2 TYR A 94 -33.513 -51.922 -19.314 1.00 14.45 H new ATOM 0 HH TYR A 94 -34.402 -52.620 -21.210 1.00 74.33 H new ATOM 1516 N ALA A 95 -34.918 -46.275 -18.715 1.00 13.54 N ATOM 1517 CA ALA A 95 -36.177 -46.429 -17.997 1.00 22.20 C ATOM 1518 C ALA A 95 -36.318 -47.839 -17.434 1.00 74.11 C ATOM 1519 O ALA A 95 -35.666 -48.773 -17.901 1.00 54.01 O ATOM 1520 CB ALA A 95 -37.349 -46.104 -18.912 1.00 4.04 C ATOM 0 H ALA A 95 -35.018 -45.948 -19.676 1.00 13.54 H new ATOM 0 HA ALA A 95 -36.178 -45.730 -17.161 1.00 22.20 H new ATOM 0 HB1 ALA A 95 -38.283 -46.223 -18.363 1.00 4.04 H new ATOM 0 HB2 ALA A 95 -37.263 -45.076 -19.262 1.00 4.04 H new ATOM 0 HB3 ALA A 95 -37.342 -46.780 -19.767 1.00 4.04 H new ATOM 1526 N ASP A 96 -37.173 -47.986 -16.428 1.00 31.10 N ATOM 1527 CA ASP A 96 -37.401 -49.282 -15.801 1.00 4.53 C ATOM 1528 C ASP A 96 -38.888 -49.613 -15.758 1.00 35.31 C ATOM 1529 O ASP A 96 -39.681 -48.879 -15.168 1.00 20.04 O ATOM 1530 CB ASP A 96 -36.822 -49.296 -14.385 1.00 1.11 C ATOM 1531 CG ASP A 96 -37.453 -48.247 -13.491 1.00 51.54 C ATOM 1532 OD1 ASP A 96 -37.139 -47.051 -13.669 1.00 21.11 O ATOM 1533 OD2 ASP A 96 -38.258 -48.620 -12.614 1.00 33.04 O ATOM 0 H ASP A 96 -37.720 -47.223 -16.029 1.00 31.10 H new ATOM 0 HA ASP A 96 -36.897 -50.040 -16.400 1.00 4.53 H new ATOM 0 HB2 ASP A 96 -36.971 -50.282 -13.944 1.00 1.11 H new ATOM 0 HB3 ASP A 96 -35.746 -49.128 -14.434 1.00 1.11 H new ATOM 1538 N ASN A 97 -39.263 -50.721 -16.390 1.00 42.12 N ATOM 1539 CA ASN A 97 -40.656 -51.147 -16.426 1.00 35.22 C ATOM 1540 C ASN A 97 -41.525 -50.109 -17.130 1.00 12.44 C ATOM 1541 O ASN A 97 -42.703 -49.947 -16.808 1.00 4.43 O ATOM 1542 CB ASN A 97 -41.176 -51.385 -15.007 1.00 3.54 C ATOM 1543 CG ASN A 97 -42.400 -52.280 -14.981 1.00 14.32 C ATOM 1544 OD1 ASN A 97 -43.047 -52.494 -16.006 1.00 52.21 O ATOM 1545 ND2 ASN A 97 -42.723 -52.806 -13.805 1.00 50.13 N ATOM 0 H ASN A 97 -38.620 -51.340 -16.884 1.00 42.12 H new ATOM 0 HA ASN A 97 -40.709 -52.080 -16.987 1.00 35.22 H new ATOM 0 HB2 ASN A 97 -40.387 -51.836 -14.405 1.00 3.54 H new ATOM 0 HB3 ASN A 97 -41.420 -50.427 -14.547 1.00 3.54 H new ATOM 0 HD21 ASN A 97 -43.537 -53.415 -13.725 1.00 50.13 H new ATOM 0 HD22 ASN A 97 -42.157 -52.601 -12.982 1.00 50.13 H new ATOM 1552 N PHE A 98 -40.936 -49.407 -18.092 1.00 41.21 N ATOM 1553 CA PHE A 98 -41.655 -48.383 -18.842 1.00 74.11 C ATOM 1554 C PHE A 98 -42.006 -48.880 -20.241 1.00 50.41 C ATOM 1555 O PHE A 98 -41.128 -49.070 -21.084 1.00 73.45 O ATOM 1556 CB PHE A 98 -40.816 -47.107 -18.937 1.00 35.55 C ATOM 1557 CG PHE A 98 -41.557 -45.946 -19.538 1.00 43.12 C ATOM 1558 CD1 PHE A 98 -42.643 -45.388 -18.885 1.00 73.33 C ATOM 1559 CD2 PHE A 98 -41.166 -45.415 -20.757 1.00 62.31 C ATOM 1560 CE1 PHE A 98 -43.327 -44.320 -19.436 1.00 62.14 C ATOM 1561 CE2 PHE A 98 -41.845 -44.347 -21.312 1.00 21.43 C ATOM 1562 CZ PHE A 98 -42.928 -43.799 -20.652 1.00 5.13 C ATOM 0 H PHE A 98 -39.962 -49.528 -18.371 1.00 41.21 H new ATOM 0 HA PHE A 98 -42.581 -48.162 -18.311 1.00 74.11 H new ATOM 0 HB2 PHE A 98 -40.473 -46.832 -17.940 1.00 35.55 H new ATOM 0 HB3 PHE A 98 -39.927 -47.310 -19.535 1.00 35.55 H new ATOM 0 HD1 PHE A 98 -42.959 -45.791 -17.934 1.00 73.33 H new ATOM 0 HD2 PHE A 98 -40.322 -45.840 -21.279 1.00 62.31 H new ATOM 0 HE1 PHE A 98 -44.172 -43.893 -18.916 1.00 62.14 H new ATOM 0 HE2 PHE A 98 -41.529 -43.941 -22.262 1.00 21.43 H new ATOM 0 HZ PHE A 98 -43.461 -42.966 -21.085 1.00 5.13 H new ATOM 1572 N THR A 99 -43.297 -49.090 -20.482 1.00 14.54 N ATOM 1573 CA THR A 99 -43.765 -49.565 -21.777 1.00 71.34 C ATOM 1574 C THR A 99 -44.969 -48.762 -22.256 1.00 24.04 C ATOM 1575 O THR A 99 -45.881 -48.470 -21.482 1.00 43.40 O ATOM 1576 CB THR A 99 -44.146 -51.057 -21.724 1.00 14.11 C ATOM 1577 OG1 THR A 99 -45.082 -51.285 -20.664 1.00 24.21 O ATOM 1578 CG2 THR A 99 -42.913 -51.923 -21.513 1.00 72.21 C ATOM 0 H THR A 99 -44.037 -48.938 -19.796 1.00 14.54 H new ATOM 0 HA THR A 99 -42.941 -49.432 -22.478 1.00 71.34 H new ATOM 0 HB THR A 99 -44.602 -51.328 -22.676 1.00 14.11 H new ATOM 0 HG1 THR A 99 -45.321 -52.235 -20.637 1.00 24.21 H new ATOM 0 HG21 THR A 99 -43.207 -52.972 -21.479 1.00 72.21 H new ATOM 0 HG22 THR A 99 -42.215 -51.768 -22.335 1.00 72.21 H new ATOM 0 HG23 THR A 99 -42.433 -51.650 -20.573 1.00 72.21 H new ATOM 1586 N LYS A 100 -44.967 -48.408 -23.536 1.00 62.24 N ATOM 1587 CA LYS A 100 -46.060 -47.640 -24.120 1.00 52.15 C ATOM 1588 C LYS A 100 -46.394 -48.146 -25.520 1.00 11.23 C ATOM 1589 O LYS A 100 -46.085 -47.508 -26.527 1.00 1.22 O ATOM 1590 CB LYS A 100 -45.693 -46.155 -24.177 1.00 73.22 C ATOM 1591 CG LYS A 100 -46.897 -45.229 -24.120 1.00 41.33 C ATOM 1592 CD LYS A 100 -47.564 -45.099 -25.479 1.00 12.31 C ATOM 1593 CE LYS A 100 -46.678 -44.356 -26.467 1.00 12.04 C ATOM 1594 NZ LYS A 100 -47.467 -43.757 -27.578 1.00 25.10 N ATOM 0 H LYS A 100 -44.220 -48.641 -24.190 1.00 62.24 H new ATOM 0 HA LYS A 100 -46.939 -47.767 -23.488 1.00 52.15 H new ATOM 0 HB2 LYS A 100 -45.026 -45.922 -23.347 1.00 73.22 H new ATOM 0 HB3 LYS A 100 -45.139 -45.961 -25.095 1.00 73.22 H new ATOM 0 HG2 LYS A 100 -47.617 -45.610 -23.395 1.00 41.33 H new ATOM 0 HG3 LYS A 100 -46.584 -44.245 -23.771 1.00 41.33 H new ATOM 0 HD2 LYS A 100 -47.793 -46.091 -25.869 1.00 12.31 H new ATOM 0 HD3 LYS A 100 -48.512 -44.572 -25.371 1.00 12.31 H new ATOM 0 HE2 LYS A 100 -46.132 -43.570 -25.945 1.00 12.04 H new ATOM 0 HE3 LYS A 100 -45.937 -45.042 -26.877 1.00 12.04 H new ATOM 0 HZ1 LYS A 100 -46.827 -43.260 -28.230 1.00 25.10 H new ATOM 0 HZ2 LYS A 100 -47.969 -44.509 -28.092 1.00 25.10 H new ATOM 0 HZ3 LYS A 100 -48.157 -43.083 -27.190 1.00 25.10 H new ATOM 1608 N PRO A 101 -47.041 -49.318 -25.587 1.00 62.34 N ATOM 1609 CA PRO A 101 -47.433 -49.935 -26.859 1.00 14.33 C ATOM 1610 C PRO A 101 -48.551 -49.165 -27.555 1.00 12.14 C ATOM 1611 O PRO A 101 -49.118 -48.230 -26.992 1.00 13.25 O ATOM 1612 CB PRO A 101 -47.919 -51.325 -26.444 1.00 22.42 C ATOM 1613 CG PRO A 101 -48.352 -51.168 -25.027 1.00 43.14 C ATOM 1614 CD PRO A 101 -47.442 -50.133 -24.428 1.00 44.41 C ATOM 0 HA PRO A 101 -46.611 -49.953 -27.575 1.00 14.33 H new ATOM 0 HB2 PRO A 101 -48.742 -51.661 -27.074 1.00 22.42 H new ATOM 0 HB3 PRO A 101 -47.125 -52.066 -26.535 1.00 22.42 H new ATOM 0 HG2 PRO A 101 -49.394 -50.852 -24.970 1.00 43.14 H new ATOM 0 HG3 PRO A 101 -48.276 -52.113 -24.489 1.00 43.14 H new ATOM 0 HD2 PRO A 101 -47.955 -49.535 -23.675 1.00 44.41 H new ATOM 0 HD3 PRO A 101 -46.580 -50.589 -23.941 1.00 44.41 H new ATOM 1622 N ARG A 102 -48.863 -49.567 -28.783 1.00 42.53 N ATOM 1623 CA ARG A 102 -49.912 -48.914 -29.556 1.00 63.24 C ATOM 1624 C ARG A 102 -51.190 -49.747 -29.548 1.00 72.34 C ATOM 1625 O ARG A 102 -51.283 -50.767 -30.231 1.00 22.33 O ATOM 1626 CB ARG A 102 -49.448 -48.688 -30.997 1.00 15.54 C ATOM 1627 CG ARG A 102 -50.303 -47.691 -31.762 1.00 44.42 C ATOM 1628 CD ARG A 102 -50.011 -46.262 -31.334 1.00 54.50 C ATOM 1629 NE ARG A 102 -51.091 -45.348 -31.702 1.00 25.31 N ATOM 1630 CZ ARG A 102 -50.999 -44.027 -31.609 1.00 44.14 C ATOM 1631 NH1 ARG A 102 -49.884 -43.466 -31.163 1.00 62.12 N ATOM 1632 NH2 ARG A 102 -52.024 -43.263 -31.964 1.00 33.22 N ATOM 0 H ARG A 102 -48.404 -50.341 -29.263 1.00 42.53 H new ATOM 0 HA ARG A 102 -50.123 -47.950 -29.094 1.00 63.24 H new ATOM 0 HB2 ARG A 102 -48.416 -48.337 -30.987 1.00 15.54 H new ATOM 0 HB3 ARG A 102 -49.455 -49.641 -31.526 1.00 15.54 H new ATOM 0 HG2 ARG A 102 -50.118 -47.797 -32.831 1.00 44.42 H new ATOM 0 HG3 ARG A 102 -51.357 -47.913 -31.597 1.00 44.42 H new ATOM 0 HD2 ARG A 102 -49.861 -46.230 -30.255 1.00 54.50 H new ATOM 0 HD3 ARG A 102 -49.081 -45.928 -31.795 1.00 54.50 H new ATOM 0 HE ARG A 102 -51.963 -45.747 -32.049 1.00 25.31 H new ATOM 0 HH11 ARG A 102 -49.093 -44.050 -30.890 1.00 62.12 H new ATOM 0 HH12 ARG A 102 -49.817 -42.451 -31.093 1.00 62.12 H new ATOM 0 HH21 ARG A 102 -52.884 -43.691 -32.309 1.00 33.22 H new ATOM 0 HH22 ARG A 102 -51.952 -42.248 -31.892 1.00 33.22 H new ATOM 1646 N ASP A 103 -52.173 -49.305 -28.773 1.00 15.43 N ATOM 1647 CA ASP A 103 -53.447 -50.008 -28.675 1.00 52.24 C ATOM 1648 C ASP A 103 -54.606 -49.022 -28.572 1.00 52.34 C ATOM 1649 O ASP A 103 -54.486 -47.970 -27.943 1.00 64.22 O ATOM 1650 CB ASP A 103 -53.447 -50.943 -27.465 1.00 11.11 C ATOM 1651 CG ASP A 103 -53.698 -50.205 -26.164 1.00 45.22 C ATOM 1652 OD1 ASP A 103 -52.810 -49.438 -25.737 1.00 30.13 O ATOM 1653 OD2 ASP A 103 -54.781 -50.395 -25.573 1.00 32.43 O ATOM 0 H ASP A 103 -52.112 -48.462 -28.202 1.00 15.43 H new ATOM 0 HA ASP A 103 -53.577 -50.600 -29.581 1.00 52.24 H new ATOM 0 HB2 ASP A 103 -54.213 -51.707 -27.600 1.00 11.11 H new ATOM 0 HB3 ASP A 103 -52.488 -51.459 -27.408 1.00 11.11 H new ATOM 1658 N MET A 104 -55.729 -49.368 -29.195 1.00 4.52 N ATOM 1659 CA MET A 104 -56.909 -48.512 -29.172 1.00 63.51 C ATOM 1660 C MET A 104 -57.784 -48.825 -27.962 1.00 45.14 C ATOM 1661 O MET A 104 -57.753 -49.936 -27.431 1.00 43.12 O ATOM 1662 CB MET A 104 -57.717 -48.688 -30.460 1.00 23.15 C ATOM 1663 CG MET A 104 -56.938 -48.341 -31.718 1.00 34.31 C ATOM 1664 SD MET A 104 -57.790 -48.847 -33.224 1.00 70.45 S ATOM 1665 CE MET A 104 -56.465 -49.672 -34.102 1.00 61.43 C ATOM 0 H MET A 104 -55.846 -50.234 -29.721 1.00 4.52 H new ATOM 0 HA MET A 104 -56.576 -47.477 -29.099 1.00 63.51 H new ATOM 0 HB2 MET A 104 -58.058 -49.721 -30.527 1.00 23.15 H new ATOM 0 HB3 MET A 104 -58.607 -48.061 -30.409 1.00 23.15 H new ATOM 0 HG2 MET A 104 -56.764 -47.265 -31.748 1.00 34.31 H new ATOM 0 HG3 MET A 104 -55.960 -48.821 -31.679 1.00 34.31 H new ATOM 0 HE1 MET A 104 -56.837 -50.042 -35.057 1.00 61.43 H new ATOM 0 HE2 MET A 104 -55.651 -48.968 -34.277 1.00 61.43 H new ATOM 0 HE3 MET A 104 -56.099 -50.508 -33.506 1.00 61.43 H new TER 1675 MET A 104