USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 455 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 Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.28) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -3.82 X(o=-3.8,f=-4.2!) USER MOD Single : A 77 ASN : amide:sc= -0.994 K(o=-0.99,f=-3.7!) USER MOD Single : A 80 GLN :FLIP amide:sc= 0.83 F(o=-0.46,f=0.83) USER MOD Single : A 81 GLN : amide:sc= -0.0648 K(o=-0.065,f=-0.93) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.115) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc=-0.00406 (180deg=-0.00532) USER MOD Single : A 90 THR OG1 : rot -76:sc= 0.899 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00893) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 1.725 -1.113 -0.672 1.00 31.13 N ATOM 2 CA GLY A 46 2.329 0.097 -0.145 1.00 65.42 C ATOM 3 C GLY A 46 2.542 1.151 -1.214 1.00 23.35 C ATOM 4 O GLY A 46 3.640 1.689 -1.354 1.00 3.22 O ATOM 0 HA2 GLY A 46 1.693 0.504 0.641 1.00 65.42 H new ATOM 0 HA3 GLY A 46 3.286 -0.149 0.315 1.00 65.42 H new ATOM 8 N SER A 47 1.490 1.445 -1.970 1.00 50.22 N ATOM 9 CA SER A 47 1.568 2.438 -3.035 1.00 62.15 C ATOM 10 C SER A 47 1.051 3.791 -2.556 1.00 73.23 C ATOM 11 O SER A 47 0.202 3.864 -1.669 1.00 33.10 O ATOM 12 CB SER A 47 0.766 1.975 -4.253 1.00 62.41 C ATOM 13 OG SER A 47 -0.625 2.137 -4.039 1.00 52.13 O ATOM 0 H SER A 47 0.573 1.010 -1.865 1.00 50.22 H new ATOM 0 HA SER A 47 2.615 2.548 -3.319 1.00 62.15 H new ATOM 0 HB2 SER A 47 1.071 2.545 -5.131 1.00 62.41 H new ATOM 0 HB3 SER A 47 0.986 0.928 -4.460 1.00 62.41 H new ATOM 0 HG SER A 47 -1.115 1.836 -4.832 1.00 52.13 H new ATOM 19 N ASN A 48 1.570 4.860 -3.151 1.00 13.10 N ATOM 20 CA ASN A 48 1.161 6.212 -2.785 1.00 64.43 C ATOM 21 C ASN A 48 0.578 6.948 -3.988 1.00 23.24 C ATOM 22 O ASN A 48 0.862 6.625 -5.142 1.00 13.54 O ATOM 23 CB ASN A 48 2.352 6.992 -2.223 1.00 75.14 C ATOM 24 CG ASN A 48 3.365 6.091 -1.544 1.00 72.11 C ATOM 25 OD1 ASN A 48 4.170 5.434 -2.205 1.00 54.40 O ATOM 26 ND2 ASN A 48 3.329 6.056 -0.217 1.00 61.31 N ATOM 0 H ASN A 48 2.274 4.817 -3.888 1.00 13.10 H new ATOM 0 HA ASN A 48 0.390 6.137 -2.019 1.00 64.43 H new ATOM 0 HB2 ASN A 48 2.839 7.538 -3.031 1.00 75.14 H new ATOM 0 HB3 ASN A 48 1.993 7.733 -1.509 1.00 75.14 H new ATOM 0 HD21 ASN A 48 3.986 5.468 0.296 1.00 61.31 H new ATOM 0 HD22 ASN A 48 2.644 6.617 0.290 1.00 61.31 H new ATOM 33 N PRO A 49 -0.256 7.962 -3.713 1.00 71.51 N ATOM 34 CA PRO A 49 -0.896 8.766 -4.759 1.00 22.44 C ATOM 35 C PRO A 49 0.099 9.655 -5.496 1.00 43.20 C ATOM 36 O PRO A 49 1.312 9.498 -5.353 1.00 31.04 O ATOM 37 CB PRO A 49 -1.903 9.618 -3.984 1.00 14.44 C ATOM 38 CG PRO A 49 -1.344 9.706 -2.605 1.00 55.25 C ATOM 39 CD PRO A 49 -0.639 8.401 -2.361 1.00 1.12 C ATOM 0 HA PRO A 49 -1.348 8.145 -5.532 1.00 22.44 H new ATOM 0 HB2 PRO A 49 -2.012 10.606 -4.431 1.00 14.44 H new ATOM 0 HB3 PRO A 49 -2.891 9.158 -3.982 1.00 14.44 H new ATOM 0 HG2 PRO A 49 -0.654 10.545 -2.516 1.00 55.25 H new ATOM 0 HG3 PRO A 49 -2.135 9.865 -1.872 1.00 55.25 H new ATOM 0 HD2 PRO A 49 0.232 8.529 -1.718 1.00 1.12 H new ATOM 0 HD3 PRO A 49 -1.292 7.677 -1.873 1.00 1.12 H new ATOM 47 N ASP A 50 -0.421 10.589 -6.284 1.00 42.35 N ATOM 48 CA ASP A 50 0.423 11.505 -7.043 1.00 55.54 C ATOM 49 C ASP A 50 0.016 12.954 -6.791 1.00 73.12 C ATOM 50 O ASP A 50 -1.084 13.242 -6.317 1.00 44.14 O ATOM 51 CB ASP A 50 0.337 11.192 -8.538 1.00 22.41 C ATOM 52 CG ASP A 50 1.484 10.321 -9.013 1.00 52.11 C ATOM 53 OD1 ASP A 50 1.884 9.406 -8.264 1.00 15.04 O ATOM 54 OD2 ASP A 50 1.982 10.556 -10.134 1.00 62.52 O ATOM 0 H ASP A 50 -1.422 10.732 -6.414 1.00 42.35 H new ATOM 0 HA ASP A 50 1.452 11.372 -6.710 1.00 55.54 H new ATOM 0 HB2 ASP A 50 -0.608 10.690 -8.748 1.00 22.41 H new ATOM 0 HB3 ASP A 50 0.335 12.125 -9.102 1.00 22.41 H new ATOM 59 N PRO A 51 0.922 13.888 -7.114 1.00 3.44 N ATOM 60 CA PRO A 51 0.681 15.322 -6.930 1.00 54.50 C ATOM 61 C PRO A 51 -0.365 15.863 -7.899 1.00 73.22 C ATOM 62 O PRO A 51 -0.798 17.009 -7.783 1.00 41.02 O ATOM 63 CB PRO A 51 2.047 15.952 -7.213 1.00 21.43 C ATOM 64 CG PRO A 51 2.736 14.977 -8.105 1.00 15.02 C ATOM 65 CD PRO A 51 2.253 13.617 -7.683 1.00 20.23 C ATOM 0 HA PRO A 51 0.291 15.545 -5.937 1.00 54.50 H new ATOM 0 HB2 PRO A 51 1.943 16.924 -7.695 1.00 21.43 H new ATOM 0 HB3 PRO A 51 2.608 16.111 -6.292 1.00 21.43 H new ATOM 0 HG2 PRO A 51 2.497 15.169 -9.151 1.00 15.02 H new ATOM 0 HG3 PRO A 51 3.819 15.055 -8.006 1.00 15.02 H new ATOM 0 HD2 PRO A 51 2.196 12.931 -8.528 1.00 20.23 H new ATOM 0 HD3 PRO A 51 2.919 13.164 -6.949 1.00 20.23 H new ATOM 73 N GLN A 52 -0.767 15.030 -8.854 1.00 32.22 N ATOM 74 CA GLN A 52 -1.763 15.425 -9.843 1.00 3.50 C ATOM 75 C GLN A 52 -3.155 14.959 -9.431 1.00 20.21 C ATOM 76 O GLN A 52 -4.122 15.716 -9.511 1.00 22.33 O ATOM 77 CB GLN A 52 -1.405 14.852 -11.215 1.00 60.11 C ATOM 78 CG GLN A 52 0.054 15.049 -11.596 1.00 15.24 C ATOM 79 CD GLN A 52 0.406 14.395 -12.917 1.00 54.01 C ATOM 80 OE1 GLN A 52 -0.330 13.543 -13.416 1.00 65.43 O ATOM 81 NE2 GLN A 52 1.535 14.792 -13.492 1.00 20.41 N ATOM 0 H GLN A 52 -0.418 14.078 -8.964 1.00 32.22 H new ATOM 0 HA GLN A 52 -1.768 16.513 -9.902 1.00 3.50 H new ATOM 0 HB2 GLN A 52 -1.634 13.786 -11.225 1.00 60.11 H new ATOM 0 HB3 GLN A 52 -2.035 15.320 -11.971 1.00 60.11 H new ATOM 0 HG2 GLN A 52 0.269 16.116 -11.655 1.00 15.24 H new ATOM 0 HG3 GLN A 52 0.689 14.638 -10.811 1.00 15.24 H new ATOM 0 HE21 GLN A 52 2.114 15.501 -13.043 1.00 20.41 H new ATOM 0 HE22 GLN A 52 1.823 14.388 -14.383 1.00 20.41 H new ATOM 90 N GLU A 53 -3.248 13.708 -8.991 1.00 34.12 N ATOM 91 CA GLU A 53 -4.523 13.141 -8.568 1.00 35.14 C ATOM 92 C GLU A 53 -5.020 13.812 -7.290 1.00 53.45 C ATOM 93 O GLU A 53 -6.198 14.152 -7.172 1.00 23.12 O ATOM 94 CB GLU A 53 -4.388 11.633 -8.345 1.00 3.35 C ATOM 95 CG GLU A 53 -5.619 10.997 -7.722 1.00 21.22 C ATOM 96 CD GLU A 53 -5.935 9.637 -8.313 1.00 62.32 C ATOM 97 OE1 GLU A 53 -6.255 9.573 -9.519 1.00 24.15 O ATOM 98 OE2 GLU A 53 -5.862 8.636 -7.570 1.00 23.22 O ATOM 0 H GLU A 53 -2.457 13.069 -8.918 1.00 34.12 H new ATOM 0 HA GLU A 53 -5.251 13.320 -9.359 1.00 35.14 H new ATOM 0 HB2 GLU A 53 -4.184 11.150 -9.301 1.00 3.35 H new ATOM 0 HB3 GLU A 53 -3.528 11.445 -7.703 1.00 3.35 H new ATOM 0 HG2 GLU A 53 -5.467 10.896 -6.647 1.00 21.22 H new ATOM 0 HG3 GLU A 53 -6.475 11.657 -7.862 1.00 21.22 H new ATOM 105 N VAL A 54 -4.114 14.000 -6.336 1.00 41.24 N ATOM 106 CA VAL A 54 -4.459 14.631 -5.068 1.00 4.10 C ATOM 107 C VAL A 54 -4.762 16.113 -5.256 1.00 3.31 C ATOM 108 O VAL A 54 -5.730 16.633 -4.703 1.00 12.14 O ATOM 109 CB VAL A 54 -3.324 14.477 -4.038 1.00 22.01 C ATOM 110 CG1 VAL A 54 -3.747 15.038 -2.689 1.00 33.42 C ATOM 111 CG2 VAL A 54 -2.913 13.018 -3.913 1.00 20.42 C ATOM 0 H VAL A 54 -3.135 13.724 -6.417 1.00 41.24 H new ATOM 0 HA VAL A 54 -5.350 14.126 -4.695 1.00 4.10 H new ATOM 0 HB VAL A 54 -2.461 15.045 -4.386 1.00 22.01 H new ATOM 0 HG11 VAL A 54 -2.932 14.920 -1.974 1.00 33.42 H new ATOM 0 HG12 VAL A 54 -3.987 16.096 -2.794 1.00 33.42 H new ATOM 0 HG13 VAL A 54 -4.625 14.500 -2.330 1.00 33.42 H new ATOM 0 HG21 VAL A 54 -2.110 12.928 -3.181 1.00 20.42 H new ATOM 0 HG22 VAL A 54 -3.768 12.426 -3.588 1.00 20.42 H new ATOM 0 HG23 VAL A 54 -2.565 12.654 -4.880 1.00 20.42 H new ATOM 121 N GLN A 55 -3.927 16.788 -6.040 1.00 72.54 N ATOM 122 CA GLN A 55 -4.106 18.211 -6.301 1.00 74.11 C ATOM 123 C GLN A 55 -5.529 18.504 -6.768 1.00 5.14 C ATOM 124 O GLN A 55 -6.080 19.566 -6.480 1.00 0.43 O ATOM 125 CB GLN A 55 -3.103 18.689 -7.353 1.00 34.44 C ATOM 126 CG GLN A 55 -3.389 20.088 -7.874 1.00 61.54 C ATOM 127 CD GLN A 55 -2.162 20.978 -7.860 1.00 62.40 C ATOM 128 OE1 GLN A 55 -1.594 21.184 -6.678 1.00 41.52 O flip ATOM 129 NE2 GLN A 55 -1.729 21.474 -8.900 1.00 2.03 N flip ATOM 0 H GLN A 55 -3.120 16.372 -6.505 1.00 72.54 H new ATOM 0 HA GLN A 55 -3.930 18.750 -5.370 1.00 74.11 H new ATOM 0 HB2 GLN A 55 -2.101 18.668 -6.924 1.00 34.44 H new ATOM 0 HB3 GLN A 55 -3.106 17.991 -8.190 1.00 34.44 H new ATOM 0 HG2 GLN A 55 -3.773 20.021 -8.892 1.00 61.54 H new ATOM 0 HG3 GLN A 55 -4.171 20.545 -7.268 1.00 61.54 H new ATOM 0 HE21 GLN A 55 -2.197 21.289 -9.787 1.00 2.03 H new ATOM 0 HE22 GLN A 55 -0.902 22.070 -8.875 1.00 2.03 H new ATOM 138 N ARG A 56 -6.117 17.556 -7.489 1.00 65.34 N ATOM 139 CA ARG A 56 -7.474 17.713 -7.997 1.00 50.22 C ATOM 140 C ARG A 56 -8.490 17.654 -6.860 1.00 71.33 C ATOM 141 O ARG A 56 -9.503 18.352 -6.883 1.00 31.12 O ATOM 142 CB ARG A 56 -7.784 16.628 -9.030 1.00 12.11 C ATOM 143 CG ARG A 56 -6.988 16.767 -10.317 1.00 40.02 C ATOM 144 CD ARG A 56 -7.619 17.784 -11.255 1.00 44.23 C ATOM 145 NE ARG A 56 -8.795 17.247 -11.934 1.00 41.11 N ATOM 146 CZ ARG A 56 -9.467 17.906 -12.871 1.00 73.02 C ATOM 147 NH1 ARG A 56 -9.081 19.120 -13.239 1.00 74.11 N ATOM 148 NH2 ARG A 56 -10.528 17.350 -13.443 1.00 11.31 N ATOM 0 H ARG A 56 -5.675 16.670 -7.735 1.00 65.34 H new ATOM 0 HA ARG A 56 -7.546 18.690 -8.475 1.00 50.22 H new ATOM 0 HB2 ARG A 56 -7.581 15.651 -8.591 1.00 12.11 H new ATOM 0 HB3 ARG A 56 -8.848 16.656 -9.266 1.00 12.11 H new ATOM 0 HG2 ARG A 56 -5.967 17.070 -10.084 1.00 40.02 H new ATOM 0 HG3 ARG A 56 -6.928 15.799 -10.815 1.00 40.02 H new ATOM 0 HD2 ARG A 56 -7.901 18.672 -10.690 1.00 44.23 H new ATOM 0 HD3 ARG A 56 -6.884 18.098 -11.996 1.00 44.23 H new ATOM 0 HE ARG A 56 -9.118 16.315 -11.674 1.00 41.11 H new ATOM 0 HH11 ARG A 56 -8.266 19.550 -12.802 1.00 74.11 H new ATOM 0 HH12 ARG A 56 -9.599 19.624 -13.959 1.00 74.11 H new ATOM 0 HH21 ARG A 56 -10.828 16.416 -13.163 1.00 11.31 H new ATOM 0 HH22 ARG A 56 -11.044 17.857 -14.163 1.00 11.31 H new ATOM 162 N ALA A 57 -8.211 16.815 -5.868 1.00 34.31 N ATOM 163 CA ALA A 57 -9.100 16.665 -4.722 1.00 3.10 C ATOM 164 C ALA A 57 -9.101 17.923 -3.860 1.00 40.34 C ATOM 165 O ALA A 57 -10.107 18.257 -3.232 1.00 43.25 O ATOM 166 CB ALA A 57 -8.693 15.456 -3.893 1.00 63.21 C ATOM 0 H ALA A 57 -7.377 16.229 -5.835 1.00 34.31 H new ATOM 0 HA ALA A 57 -10.112 16.511 -5.096 1.00 3.10 H new ATOM 0 HB1 ALA A 57 -9.365 15.356 -3.041 1.00 63.21 H new ATOM 0 HB2 ALA A 57 -8.750 14.558 -4.507 1.00 63.21 H new ATOM 0 HB3 ALA A 57 -7.672 15.587 -3.536 1.00 63.21 H new ATOM 172 N LEU A 58 -7.969 18.618 -3.834 1.00 22.51 N ATOM 173 CA LEU A 58 -7.839 19.840 -3.048 1.00 61.31 C ATOM 174 C LEU A 58 -8.980 20.806 -3.351 1.00 62.31 C ATOM 175 O LEU A 58 -9.674 21.265 -2.445 1.00 52.41 O ATOM 176 CB LEU A 58 -6.496 20.513 -3.334 1.00 44.23 C ATOM 177 CG LEU A 58 -5.408 20.319 -2.277 1.00 35.22 C ATOM 178 CD1 LEU A 58 -4.129 21.030 -2.689 1.00 71.25 C ATOM 179 CD2 LEU A 58 -5.886 20.821 -0.922 1.00 75.30 C ATOM 0 H LEU A 58 -7.128 18.356 -4.348 1.00 22.51 H new ATOM 0 HA LEU A 58 -7.886 19.571 -1.993 1.00 61.31 H new ATOM 0 HB2 LEU A 58 -6.120 20.138 -4.286 1.00 44.23 H new ATOM 0 HB3 LEU A 58 -6.667 21.582 -3.458 1.00 44.23 H new ATOM 0 HG LEU A 58 -5.196 19.253 -2.194 1.00 35.22 H new ATOM 0 HD11 LEU A 58 -3.367 20.880 -1.924 1.00 71.25 H new ATOM 0 HD12 LEU A 58 -3.776 20.624 -3.637 1.00 71.25 H new ATOM 0 HD13 LEU A 58 -4.325 22.096 -2.802 1.00 71.25 H new ATOM 0 HD21 LEU A 58 -5.099 20.675 -0.182 1.00 75.30 H new ATOM 0 HD22 LEU A 58 -6.127 21.882 -0.991 1.00 75.30 H new ATOM 0 HD23 LEU A 58 -6.775 20.266 -0.621 1.00 75.30 H new ATOM 191 N ALA A 59 -9.168 21.108 -4.632 1.00 34.54 N ATOM 192 CA ALA A 59 -10.228 22.015 -5.054 1.00 43.15 C ATOM 193 C ALA A 59 -11.594 21.345 -4.962 1.00 73.22 C ATOM 194 O ALA A 59 -12.628 21.999 -5.101 1.00 43.24 O ATOM 195 CB ALA A 59 -9.971 22.501 -6.473 1.00 41.41 C ATOM 0 H ALA A 59 -8.600 20.738 -5.394 1.00 34.54 H new ATOM 0 HA ALA A 59 -10.228 22.873 -4.381 1.00 43.15 H new ATOM 0 HB1 ALA A 59 -10.770 23.178 -6.776 1.00 41.41 H new ATOM 0 HB2 ALA A 59 -9.017 23.026 -6.510 1.00 41.41 H new ATOM 0 HB3 ALA A 59 -9.942 21.647 -7.150 1.00 41.41 H new ATOM 201 N ARG A 60 -11.592 20.037 -4.728 1.00 21.35 N ATOM 202 CA ARG A 60 -12.832 19.278 -4.619 1.00 20.22 C ATOM 203 C ARG A 60 -13.323 19.242 -3.174 1.00 43.14 C ATOM 204 O ARG A 60 -14.411 18.740 -2.891 1.00 3.05 O ATOM 205 CB ARG A 60 -12.629 17.852 -5.135 1.00 53.12 C ATOM 206 CG ARG A 60 -12.391 17.775 -6.634 1.00 41.43 C ATOM 207 CD ARG A 60 -13.677 17.474 -7.388 1.00 63.21 C ATOM 208 NE ARG A 60 -13.674 18.054 -8.728 1.00 73.14 N ATOM 209 CZ ARG A 60 -14.771 18.217 -9.460 1.00 43.44 C ATOM 210 NH1 ARG A 60 -15.951 17.847 -8.984 1.00 33.01 N ATOM 211 NH2 ARG A 60 -14.688 18.753 -10.672 1.00 24.14 N ATOM 0 H ARG A 60 -10.745 19.481 -4.610 1.00 21.35 H new ATOM 0 HA ARG A 60 -13.587 19.774 -5.229 1.00 20.22 H new ATOM 0 HB2 ARG A 60 -11.780 17.405 -4.617 1.00 53.12 H new ATOM 0 HB3 ARG A 60 -13.506 17.255 -4.884 1.00 53.12 H new ATOM 0 HG2 ARG A 60 -11.974 18.718 -6.986 1.00 41.43 H new ATOM 0 HG3 ARG A 60 -11.653 17.001 -6.847 1.00 41.43 H new ATOM 0 HD2 ARG A 60 -13.811 16.395 -7.460 1.00 63.21 H new ATOM 0 HD3 ARG A 60 -14.526 17.863 -6.826 1.00 63.21 H new ATOM 0 HE ARG A 60 -12.782 18.350 -9.124 1.00 73.14 H new ATOM 0 HH11 ARG A 60 -16.019 17.436 -8.053 1.00 33.01 H new ATOM 0 HH12 ARG A 60 -16.791 17.974 -9.548 1.00 33.01 H new ATOM 0 HH21 ARG A 60 -13.782 19.040 -11.042 1.00 24.14 H new ATOM 0 HH22 ARG A 60 -15.531 18.878 -11.233 1.00 24.14 H new ATOM 225 N ILE A 61 -12.513 19.777 -2.267 1.00 13.23 N ATOM 226 CA ILE A 61 -12.866 19.807 -0.853 1.00 24.14 C ATOM 227 C ILE A 61 -14.137 20.615 -0.620 1.00 13.42 C ATOM 228 O ILE A 61 -14.773 20.505 0.430 1.00 41.24 O ATOM 229 CB ILE A 61 -11.729 20.403 -0.002 1.00 23.14 C ATOM 230 CG1 ILE A 61 -10.437 19.609 -0.208 1.00 73.14 C ATOM 231 CG2 ILE A 61 -12.119 20.416 1.469 1.00 41.32 C ATOM 232 CD1 ILE A 61 -9.200 20.330 0.279 1.00 31.33 C ATOM 0 H ILE A 61 -11.609 20.195 -2.486 1.00 13.23 H new ATOM 0 HA ILE A 61 -13.035 18.774 -0.548 1.00 24.14 H new ATOM 0 HB ILE A 61 -11.557 21.431 -0.322 1.00 23.14 H new ATOM 0 HG12 ILE A 61 -10.520 18.655 0.312 1.00 73.14 H new ATOM 0 HG13 ILE A 61 -10.323 19.385 -1.269 1.00 73.14 H new ATOM 0 HG21 ILE A 61 -11.305 20.840 2.057 1.00 41.32 H new ATOM 0 HG22 ILE A 61 -13.016 21.020 1.602 1.00 41.32 H new ATOM 0 HG23 ILE A 61 -12.315 19.397 1.802 1.00 41.32 H new ATOM 0 HD11 ILE A 61 -8.323 19.708 0.101 1.00 31.33 H new ATOM 0 HD12 ILE A 61 -9.092 21.272 -0.259 1.00 31.33 H new ATOM 0 HD13 ILE A 61 -9.292 20.530 1.346 1.00 31.33 H new ATOM 244 N LEU A 62 -14.505 21.427 -1.605 1.00 65.13 N ATOM 245 CA LEU A 62 -15.703 22.254 -1.509 1.00 64.35 C ATOM 246 C LEU A 62 -16.907 21.538 -2.112 1.00 55.41 C ATOM 247 O LEU A 62 -18.050 21.794 -1.730 1.00 41.12 O ATOM 248 CB LEU A 62 -15.482 23.591 -2.219 1.00 25.21 C ATOM 249 CG LEU A 62 -14.698 24.644 -1.436 1.00 5.51 C ATOM 250 CD1 LEU A 62 -14.519 25.905 -2.268 1.00 64.44 C ATOM 251 CD2 LEU A 62 -15.398 24.965 -0.124 1.00 35.12 C ATOM 0 H LEU A 62 -13.991 21.530 -2.480 1.00 65.13 H new ATOM 0 HA LEU A 62 -15.904 22.439 -0.454 1.00 64.35 H new ATOM 0 HB2 LEU A 62 -14.959 23.400 -3.156 1.00 25.21 H new ATOM 0 HB3 LEU A 62 -16.455 24.008 -2.476 1.00 25.21 H new ATOM 0 HG LEU A 62 -13.712 24.239 -1.209 1.00 5.51 H new ATOM 0 HD11 LEU A 62 -13.959 26.643 -1.694 1.00 64.44 H new ATOM 0 HD12 LEU A 62 -13.973 25.664 -3.180 1.00 64.44 H new ATOM 0 HD13 LEU A 62 -15.496 26.312 -2.526 1.00 64.44 H new ATOM 0 HD21 LEU A 62 -14.825 25.716 0.420 1.00 35.12 H new ATOM 0 HD22 LEU A 62 -16.397 25.349 -0.329 1.00 35.12 H new ATOM 0 HD23 LEU A 62 -15.474 24.060 0.479 1.00 35.12 H new ATOM 263 N CYS A 63 -16.645 20.639 -3.055 1.00 2.34 N ATOM 264 CA CYS A 63 -17.706 19.885 -3.710 1.00 34.35 C ATOM 265 C CYS A 63 -17.977 18.576 -2.973 1.00 72.23 C ATOM 266 O CYS A 63 -19.109 18.295 -2.581 1.00 53.11 O ATOM 267 CB CYS A 63 -17.333 19.596 -5.165 1.00 5.22 C ATOM 268 SG CYS A 63 -16.715 21.048 -6.076 1.00 34.02 S ATOM 0 H CYS A 63 -15.705 20.415 -3.383 1.00 2.34 H new ATOM 0 HA CYS A 63 -18.613 20.489 -3.688 1.00 34.35 H new ATOM 0 HB2 CYS A 63 -16.572 18.816 -5.186 1.00 5.22 H new ATOM 0 HB3 CYS A 63 -18.208 19.201 -5.682 1.00 5.22 H new ATOM 273 N ALA A 64 -16.929 17.779 -2.790 1.00 15.05 N ATOM 274 CA ALA A 64 -17.053 16.501 -2.099 1.00 12.41 C ATOM 275 C ALA A 64 -17.830 16.655 -0.796 1.00 35.31 C ATOM 276 O ALA A 64 -18.976 16.215 -0.689 1.00 53.31 O ATOM 277 CB ALA A 64 -15.677 15.912 -1.828 1.00 43.33 C ATOM 0 H ALA A 64 -15.985 17.996 -3.110 1.00 15.05 H new ATOM 0 HA ALA A 64 -17.607 15.819 -2.744 1.00 12.41 H new ATOM 0 HB1 ALA A 64 -15.785 14.958 -1.312 1.00 43.33 H new ATOM 0 HB2 ALA A 64 -15.155 15.757 -2.772 1.00 43.33 H new ATOM 0 HB3 ALA A 64 -15.103 16.599 -1.205 1.00 43.33 H new ATOM 283 N LEU A 65 -17.201 17.280 0.193 1.00 61.41 N ATOM 284 CA LEU A 65 -17.834 17.490 1.490 1.00 3.54 C ATOM 285 C LEU A 65 -18.173 16.159 2.153 1.00 15.42 C ATOM 286 O LEU A 65 -19.330 15.742 2.173 1.00 34.43 O ATOM 287 CB LEU A 65 -19.101 18.332 1.331 1.00 51.00 C ATOM 288 CG LEU A 65 -18.948 19.831 1.588 1.00 1.53 C ATOM 289 CD1 LEU A 65 -17.787 20.395 0.784 1.00 51.33 C ATOM 290 CD2 LEU A 65 -20.238 20.565 1.252 1.00 33.22 C ATOM 0 H LEU A 65 -16.253 17.650 0.121 1.00 61.41 H new ATOM 0 HA LEU A 65 -17.129 18.023 2.128 1.00 3.54 H new ATOM 0 HB2 LEU A 65 -19.480 18.194 0.318 1.00 51.00 H new ATOM 0 HB3 LEU A 65 -19.859 17.943 2.011 1.00 51.00 H new ATOM 0 HG LEU A 65 -18.735 19.978 2.647 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -17.694 21.463 0.980 1.00 51.33 H new ATOM 0 HD12 LEU A 65 -16.865 19.891 1.074 1.00 51.33 H new ATOM 0 HD13 LEU A 65 -17.969 20.236 -0.279 1.00 51.33 H new ATOM 0 HD21 LEU A 65 -20.110 21.631 1.441 1.00 33.22 H new ATOM 0 HD22 LEU A 65 -20.482 20.410 0.201 1.00 33.22 H new ATOM 0 HD23 LEU A 65 -21.047 20.181 1.873 1.00 33.22 H new ATOM 302 N GLY A 66 -17.156 15.498 2.697 1.00 12.13 N ATOM 303 CA GLY A 66 -17.368 14.222 3.356 1.00 40.33 C ATOM 304 C GLY A 66 -16.707 13.074 2.620 1.00 20.51 C ATOM 305 O GLY A 66 -16.631 11.960 3.137 1.00 30.42 O ATOM 0 H GLY A 66 -16.189 15.823 2.693 1.00 12.13 H new ATOM 0 HA2 GLY A 66 -16.977 14.272 4.372 1.00 40.33 H new ATOM 0 HA3 GLY A 66 -18.438 14.031 3.436 1.00 40.33 H new ATOM 309 N GLU A 67 -16.229 13.345 1.410 1.00 72.45 N ATOM 310 CA GLU A 67 -15.574 12.323 0.601 1.00 1.03 C ATOM 311 C GLU A 67 -14.106 12.672 0.369 1.00 35.50 C ATOM 312 O GLU A 67 -13.264 11.787 0.209 1.00 53.13 O ATOM 313 CB GLU A 67 -16.291 12.166 -0.741 1.00 62.32 C ATOM 314 CG GLU A 67 -17.488 13.087 -0.903 1.00 72.24 C ATOM 315 CD GLU A 67 -18.094 13.017 -2.292 1.00 35.44 C ATOM 316 OE1 GLU A 67 -17.359 13.256 -3.272 1.00 50.42 O ATOM 317 OE2 GLU A 67 -19.303 12.722 -2.398 1.00 13.55 O ATOM 0 H GLU A 67 -16.283 14.263 0.968 1.00 72.45 H new ATOM 0 HA GLU A 67 -15.624 11.379 1.143 1.00 1.03 H new ATOM 0 HB2 GLU A 67 -15.583 12.360 -1.547 1.00 62.32 H new ATOM 0 HB3 GLU A 67 -16.621 11.133 -0.848 1.00 62.32 H new ATOM 0 HG2 GLU A 67 -18.247 12.824 -0.166 1.00 72.24 H new ATOM 0 HG3 GLU A 67 -17.183 14.113 -0.695 1.00 72.24 H new ATOM 324 N LEU A 68 -13.808 13.966 0.352 1.00 63.25 N ATOM 325 CA LEU A 68 -12.442 14.433 0.138 1.00 13.03 C ATOM 326 C LEU A 68 -11.543 14.038 1.305 1.00 30.41 C ATOM 327 O LEU A 68 -10.320 13.995 1.172 1.00 22.43 O ATOM 328 CB LEU A 68 -12.424 15.952 -0.042 1.00 74.13 C ATOM 329 CG LEU A 68 -11.582 16.480 -1.204 1.00 73.24 C ATOM 330 CD1 LEU A 68 -10.125 16.079 -1.033 1.00 12.44 C ATOM 331 CD2 LEU A 68 -12.125 15.969 -2.531 1.00 42.13 C ATOM 0 H LEU A 68 -14.493 14.710 0.484 1.00 63.25 H new ATOM 0 HA LEU A 68 -12.060 13.961 -0.767 1.00 13.03 H new ATOM 0 HB2 LEU A 68 -13.450 16.294 -0.178 1.00 74.13 H new ATOM 0 HB3 LEU A 68 -12.058 16.403 0.880 1.00 74.13 H new ATOM 0 HG LEU A 68 -11.640 17.568 -1.205 1.00 73.24 H new ATOM 0 HD11 LEU A 68 -9.541 16.464 -1.869 1.00 12.44 H new ATOM 0 HD12 LEU A 68 -9.741 16.494 -0.101 1.00 12.44 H new ATOM 0 HD13 LEU A 68 -10.048 14.992 -1.006 1.00 12.44 H new ATOM 0 HD21 LEU A 68 -11.514 16.355 -3.347 1.00 42.13 H new ATOM 0 HD22 LEU A 68 -12.097 14.879 -2.540 1.00 42.13 H new ATOM 0 HD23 LEU A 68 -13.154 16.307 -2.657 1.00 42.13 H new ATOM 343 N ASP A 69 -12.157 13.748 2.447 1.00 73.22 N ATOM 344 CA ASP A 69 -11.413 13.352 3.637 1.00 43.33 C ATOM 345 C ASP A 69 -10.588 12.097 3.369 1.00 1.23 C ATOM 346 O ASP A 69 -9.637 11.800 4.093 1.00 33.21 O ATOM 347 CB ASP A 69 -12.369 13.110 4.806 1.00 61.25 C ATOM 348 CG ASP A 69 -13.419 14.196 4.929 1.00 10.24 C ATOM 349 OD1 ASP A 69 -14.458 14.098 4.243 1.00 12.53 O ATOM 350 OD2 ASP A 69 -13.202 15.144 5.713 1.00 32.20 O ATOM 0 H ASP A 69 -13.169 13.780 2.574 1.00 73.22 H new ATOM 0 HA ASP A 69 -10.733 14.163 3.897 1.00 43.33 H new ATOM 0 HB2 ASP A 69 -12.861 12.146 4.676 1.00 61.25 H new ATOM 0 HB3 ASP A 69 -11.798 13.054 5.733 1.00 61.25 H new ATOM 355 N LYS A 70 -10.958 11.363 2.326 1.00 55.13 N ATOM 356 CA LYS A 70 -10.254 10.140 1.961 1.00 21.33 C ATOM 357 C LYS A 70 -9.099 10.439 1.011 1.00 53.34 C ATOM 358 O LYS A 70 -8.485 9.527 0.456 1.00 35.40 O ATOM 359 CB LYS A 70 -11.219 9.145 1.311 1.00 3.34 C ATOM 360 CG LYS A 70 -11.346 7.836 2.071 1.00 65.03 C ATOM 361 CD LYS A 70 -11.595 6.668 1.131 1.00 41.30 C ATOM 362 CE LYS A 70 -12.954 6.776 0.456 1.00 3.41 C ATOM 363 NZ LYS A 70 -13.465 5.447 0.023 1.00 71.34 N ATOM 0 H LYS A 70 -11.743 11.594 1.717 1.00 55.13 H new ATOM 0 HA LYS A 70 -9.847 9.700 2.872 1.00 21.33 H new ATOM 0 HB2 LYS A 70 -12.203 9.606 1.231 1.00 3.34 H new ATOM 0 HB3 LYS A 70 -10.882 8.935 0.296 1.00 3.34 H new ATOM 0 HG2 LYS A 70 -10.436 7.656 2.643 1.00 65.03 H new ATOM 0 HG3 LYS A 70 -12.164 7.908 2.788 1.00 65.03 H new ATOM 0 HD2 LYS A 70 -10.812 6.636 0.373 1.00 41.30 H new ATOM 0 HD3 LYS A 70 -11.537 5.733 1.688 1.00 41.30 H new ATOM 0 HE2 LYS A 70 -13.666 7.232 1.144 1.00 3.41 H new ATOM 0 HE3 LYS A 70 -12.879 7.435 -0.409 1.00 3.41 H new ATOM 0 HZ1 LYS A 70 -14.393 5.563 -0.432 1.00 71.34 H new ATOM 0 HZ2 LYS A 70 -12.798 5.022 -0.653 1.00 71.34 H new ATOM 0 HZ3 LYS A 70 -13.561 4.825 0.851 1.00 71.34 H new ATOM 377 N LEU A 71 -8.808 11.722 0.828 1.00 44.34 N ATOM 378 CA LEU A 71 -7.725 12.142 -0.055 1.00 42.33 C ATOM 379 C LEU A 71 -6.890 13.243 0.592 1.00 74.01 C ATOM 380 O LEU A 71 -5.662 13.169 0.621 1.00 1.43 O ATOM 381 CB LEU A 71 -8.289 12.632 -1.390 1.00 14.42 C ATOM 382 CG LEU A 71 -7.396 12.425 -2.613 1.00 71.13 C ATOM 383 CD1 LEU A 71 -5.929 12.475 -2.217 1.00 64.24 C ATOM 384 CD2 LEU A 71 -7.722 11.103 -3.294 1.00 12.43 C ATOM 0 H LEU A 71 -9.306 12.489 1.279 1.00 44.34 H new ATOM 0 HA LEU A 71 -7.081 11.281 -0.234 1.00 42.33 H new ATOM 0 HB2 LEU A 71 -9.238 12.126 -1.568 1.00 14.42 H new ATOM 0 HB3 LEU A 71 -8.507 13.696 -1.301 1.00 14.42 H new ATOM 0 HG LEU A 71 -7.588 13.232 -3.320 1.00 71.13 H new ATOM 0 HD11 LEU A 71 -5.308 12.326 -3.101 1.00 64.24 H new ATOM 0 HD12 LEU A 71 -5.704 13.446 -1.775 1.00 64.24 H new ATOM 0 HD13 LEU A 71 -5.721 11.689 -1.491 1.00 64.24 H new ATOM 0 HD21 LEU A 71 -7.077 10.972 -4.163 1.00 12.43 H new ATOM 0 HD22 LEU A 71 -7.559 10.283 -2.594 1.00 12.43 H new ATOM 0 HD23 LEU A 71 -8.764 11.106 -3.613 1.00 12.43 H new ATOM 396 N VAL A 72 -7.566 14.263 1.112 1.00 74.31 N ATOM 397 CA VAL A 72 -6.888 15.377 1.762 1.00 0.51 C ATOM 398 C VAL A 72 -6.483 15.019 3.187 1.00 33.45 C ATOM 399 O VAL A 72 -5.901 15.833 3.903 1.00 2.44 O ATOM 400 CB VAL A 72 -7.778 16.634 1.794 1.00 44.42 C ATOM 401 CG1 VAL A 72 -8.928 16.450 2.771 1.00 11.04 C ATOM 402 CG2 VAL A 72 -6.953 17.861 2.153 1.00 11.22 C ATOM 0 H VAL A 72 -8.583 14.340 1.095 1.00 74.31 H new ATOM 0 HA VAL A 72 -5.994 15.588 1.176 1.00 0.51 H new ATOM 0 HB VAL A 72 -8.199 16.785 0.800 1.00 44.42 H new ATOM 0 HG11 VAL A 72 -9.545 17.348 2.780 1.00 11.04 H new ATOM 0 HG12 VAL A 72 -9.533 15.597 2.464 1.00 11.04 H new ATOM 0 HG13 VAL A 72 -8.531 16.273 3.771 1.00 11.04 H new ATOM 0 HG21 VAL A 72 -7.597 18.740 2.171 1.00 11.22 H new ATOM 0 HG22 VAL A 72 -6.502 17.721 3.135 1.00 11.22 H new ATOM 0 HG23 VAL A 72 -6.168 18.002 1.410 1.00 11.22 H new ATOM 412 N LYS A 73 -6.795 13.793 3.594 1.00 34.23 N ATOM 413 CA LYS A 73 -6.463 13.323 4.934 1.00 13.11 C ATOM 414 C LYS A 73 -5.720 11.993 4.875 1.00 24.44 C ATOM 415 O LYS A 73 -4.807 11.746 5.664 1.00 64.33 O ATOM 416 CB LYS A 73 -7.734 13.173 5.774 1.00 61.43 C ATOM 417 CG LYS A 73 -7.545 13.542 7.235 1.00 63.22 C ATOM 418 CD LYS A 73 -8.497 14.648 7.658 1.00 23.23 C ATOM 419 CE LYS A 73 -9.768 14.084 8.275 1.00 63.34 C ATOM 420 NZ LYS A 73 -10.705 15.161 8.696 1.00 12.11 N ATOM 0 H LYS A 73 -7.278 13.106 3.014 1.00 34.23 H new ATOM 0 HA LYS A 73 -5.812 14.062 5.400 1.00 13.11 H new ATOM 0 HB2 LYS A 73 -8.517 13.800 5.348 1.00 61.43 H new ATOM 0 HB3 LYS A 73 -8.082 12.142 5.710 1.00 61.43 H new ATOM 0 HG2 LYS A 73 -7.708 12.662 7.858 1.00 63.22 H new ATOM 0 HG3 LYS A 73 -6.516 13.863 7.400 1.00 63.22 H new ATOM 0 HD2 LYS A 73 -8.001 15.301 8.376 1.00 23.23 H new ATOM 0 HD3 LYS A 73 -8.752 15.261 6.793 1.00 23.23 H new ATOM 0 HE2 LYS A 73 -10.263 13.433 7.555 1.00 63.34 H new ATOM 0 HE3 LYS A 73 -9.511 13.469 9.137 1.00 63.34 H new ATOM 0 HZ1 LYS A 73 -11.558 14.736 9.111 1.00 12.11 H new ATOM 0 HZ2 LYS A 73 -10.242 15.768 9.402 1.00 12.11 H new ATOM 0 HZ3 LYS A 73 -10.971 15.733 7.869 1.00 12.11 H new ATOM 434 N ASP A 74 -6.115 11.140 3.937 1.00 41.15 N ATOM 435 CA ASP A 74 -5.484 9.836 3.773 1.00 22.44 C ATOM 436 C ASP A 74 -4.109 9.974 3.126 1.00 34.01 C ATOM 437 O ASP A 74 -3.365 9.000 3.015 1.00 1.42 O ATOM 438 CB ASP A 74 -6.369 8.919 2.928 1.00 35.11 C ATOM 439 CG ASP A 74 -5.811 7.514 2.820 1.00 72.43 C ATOM 440 OD1 ASP A 74 -5.048 7.108 3.721 1.00 71.43 O ATOM 441 OD2 ASP A 74 -6.137 6.820 1.833 1.00 24.12 O ATOM 0 H ASP A 74 -6.870 11.328 3.278 1.00 41.15 H new ATOM 0 HA ASP A 74 -5.358 9.395 4.762 1.00 22.44 H new ATOM 0 HB2 ASP A 74 -7.367 8.878 3.365 1.00 35.11 H new ATOM 0 HB3 ASP A 74 -6.476 9.342 1.929 1.00 35.11 H new ATOM 446 N GLN A 75 -3.781 11.189 2.700 1.00 53.40 N ATOM 447 CA GLN A 75 -2.497 11.454 2.062 1.00 31.20 C ATOM 448 C GLN A 75 -1.802 12.646 2.711 1.00 11.11 C ATOM 449 O GLN A 75 -0.629 12.571 3.074 1.00 23.33 O ATOM 450 CB GLN A 75 -2.690 11.713 0.567 1.00 73.01 C ATOM 451 CG GLN A 75 -3.758 10.838 -0.069 1.00 54.12 C ATOM 452 CD GLN A 75 -3.507 9.359 0.148 1.00 64.04 C ATOM 453 OE1 GLN A 75 -2.360 8.914 0.201 1.00 4.14 O ATOM 454 NE2 GLN A 75 -4.580 8.588 0.274 1.00 71.44 N ATOM 0 H GLN A 75 -4.386 12.006 2.785 1.00 53.40 H new ATOM 0 HA GLN A 75 -1.867 10.574 2.193 1.00 31.20 H new ATOM 0 HB2 GLN A 75 -2.955 12.760 0.419 1.00 73.01 H new ATOM 0 HB3 GLN A 75 -1.743 11.548 0.053 1.00 73.01 H new ATOM 0 HG2 GLN A 75 -4.732 11.102 0.344 1.00 54.12 H new ATOM 0 HG3 GLN A 75 -3.800 11.042 -1.139 1.00 54.12 H new ATOM 0 HE21 GLN A 75 -5.512 8.999 0.224 1.00 71.44 H new ATOM 0 HE22 GLN A 75 -4.472 7.584 0.421 1.00 71.44 H new ATOM 463 N ALA A 76 -2.534 13.746 2.853 1.00 13.15 N ATOM 464 CA ALA A 76 -1.989 14.954 3.460 1.00 25.23 C ATOM 465 C ALA A 76 -1.445 14.669 4.857 1.00 55.55 C ATOM 466 O ALA A 76 -0.554 15.366 5.339 1.00 24.34 O ATOM 467 CB ALA A 76 -3.050 16.042 3.516 1.00 11.33 C ATOM 0 H ALA A 76 -3.506 13.825 2.556 1.00 13.15 H new ATOM 0 HA ALA A 76 -1.162 15.301 2.840 1.00 25.23 H new ATOM 0 HB1 ALA A 76 -2.629 16.938 3.972 1.00 11.33 H new ATOM 0 HB2 ALA A 76 -3.388 16.273 2.506 1.00 11.33 H new ATOM 0 HB3 ALA A 76 -3.895 15.696 4.111 1.00 11.33 H new ATOM 473 N ASN A 77 -1.990 13.642 5.500 1.00 11.24 N ATOM 474 CA ASN A 77 -1.561 13.267 6.843 1.00 65.13 C ATOM 475 C ASN A 77 -0.714 11.998 6.808 1.00 43.31 C ATOM 476 O ASN A 77 -0.519 11.342 7.830 1.00 22.24 O ATOM 477 CB ASN A 77 -2.775 13.058 7.750 1.00 41.24 C ATOM 478 CG ASN A 77 -3.665 14.284 7.815 1.00 53.01 C ATOM 479 OD1 ASN A 77 -4.143 14.773 6.791 1.00 12.01 O ATOM 480 ND2 ASN A 77 -3.892 14.787 9.023 1.00 71.21 N ATOM 0 H ASN A 77 -2.729 13.055 5.114 1.00 11.24 H new ATOM 0 HA ASN A 77 -0.953 14.079 7.243 1.00 65.13 H new ATOM 0 HB2 ASN A 77 -3.355 12.210 7.386 1.00 41.24 H new ATOM 0 HB3 ASN A 77 -2.436 12.805 8.754 1.00 41.24 H new ATOM 0 HD21 ASN A 77 -4.483 15.611 9.129 1.00 71.21 H new ATOM 0 HD22 ASN A 77 -3.475 14.349 9.844 1.00 71.21 H new ATOM 487 N ALA A 78 -0.213 11.660 5.624 1.00 4.24 N ATOM 488 CA ALA A 78 0.615 10.472 5.457 1.00 44.45 C ATOM 489 C ALA A 78 2.065 10.850 5.171 1.00 21.41 C ATOM 490 O ALA A 78 2.955 10.000 5.199 1.00 12.44 O ATOM 491 CB ALA A 78 0.065 9.599 4.339 1.00 43.25 C ATOM 0 H ALA A 78 -0.366 12.192 4.767 1.00 4.24 H new ATOM 0 HA ALA A 78 0.591 9.908 6.389 1.00 44.45 H new ATOM 0 HB1 ALA A 78 0.693 8.715 4.225 1.00 43.25 H new ATOM 0 HB2 ALA A 78 -0.952 9.292 4.584 1.00 43.25 H new ATOM 0 HB3 ALA A 78 0.060 10.163 3.406 1.00 43.25 H new ATOM 497 N GLY A 79 2.296 12.130 4.895 1.00 34.23 N ATOM 498 CA GLY A 79 3.639 12.596 4.608 1.00 43.43 C ATOM 499 C GLY A 79 3.672 13.612 3.483 1.00 61.33 C ATOM 500 O GLY A 79 4.706 14.227 3.224 1.00 10.25 O ATOM 0 H GLY A 79 1.576 12.852 4.865 1.00 34.23 H new ATOM 0 HA2 GLY A 79 4.066 13.040 5.507 1.00 43.43 H new ATOM 0 HA3 GLY A 79 4.267 11.745 4.344 1.00 43.43 H new ATOM 504 N GLN A 80 2.538 13.785 2.811 1.00 3.53 N ATOM 505 CA GLN A 80 2.443 14.732 1.706 1.00 70.30 C ATOM 506 C GLN A 80 3.593 14.538 0.723 1.00 11.20 C ATOM 507 O GLN A 80 4.151 15.507 0.208 1.00 34.03 O ATOM 508 CB GLN A 80 2.444 16.167 2.234 1.00 1.33 C ATOM 509 CG GLN A 80 1.802 16.312 3.605 1.00 61.33 C ATOM 510 CD GLN A 80 1.082 17.635 3.775 1.00 22.24 C ATOM 511 OE1 GLN A 80 1.724 18.717 3.352 1.00 63.13 O flip ATOM 512 NE2 GLN A 80 -0.039 17.684 4.283 1.00 41.34 N flip ATOM 0 H GLN A 80 1.673 13.283 3.012 1.00 3.53 H new ATOM 0 HA GLN A 80 1.506 14.547 1.182 1.00 70.30 H new ATOM 0 HB2 GLN A 80 3.472 16.526 2.284 1.00 1.33 H new ATOM 0 HB3 GLN A 80 1.917 16.806 1.526 1.00 1.33 H new ATOM 0 HG2 GLN A 80 1.096 15.496 3.760 1.00 61.33 H new ATOM 0 HG3 GLN A 80 2.570 16.219 4.373 1.00 61.33 H new ATOM 0 HE21 GLN A 80 -0.496 16.827 4.594 1.00 41.34 H new ATOM 0 HE22 GLN A 80 -0.511 18.582 4.392 1.00 41.34 H new ATOM 521 N GLN A 81 3.942 13.281 0.468 1.00 12.31 N ATOM 522 CA GLN A 81 5.026 12.962 -0.453 1.00 24.14 C ATOM 523 C GLN A 81 4.645 13.314 -1.887 1.00 34.24 C ATOM 524 O GLN A 81 5.493 13.333 -2.777 1.00 62.24 O ATOM 525 CB GLN A 81 5.384 11.478 -0.357 1.00 62.21 C ATOM 526 CG GLN A 81 5.954 11.075 0.994 1.00 74.14 C ATOM 527 CD GLN A 81 7.283 11.741 1.289 1.00 53.50 C ATOM 528 OE1 GLN A 81 8.015 12.125 0.376 1.00 74.31 O ATOM 529 NE2 GLN A 81 7.602 11.884 2.570 1.00 62.30 N ATOM 0 H GLN A 81 3.490 12.468 0.886 1.00 12.31 H new ATOM 0 HA GLN A 81 5.895 13.557 -0.172 1.00 24.14 H new ATOM 0 HB2 GLN A 81 4.492 10.884 -0.557 1.00 62.21 H new ATOM 0 HB3 GLN A 81 6.109 11.237 -1.134 1.00 62.21 H new ATOM 0 HG2 GLN A 81 5.241 11.334 1.777 1.00 74.14 H new ATOM 0 HG3 GLN A 81 6.080 9.993 1.023 1.00 74.14 H new ATOM 0 HE21 GLN A 81 6.966 11.551 3.294 1.00 62.30 H new ATOM 0 HE22 GLN A 81 8.483 12.327 2.830 1.00 62.30 H new ATOM 538 N GLU A 82 3.362 13.591 -2.101 1.00 43.34 N ATOM 539 CA GLU A 82 2.869 13.941 -3.428 1.00 40.22 C ATOM 540 C GLU A 82 2.923 15.450 -3.648 1.00 52.31 C ATOM 541 O GLU A 82 3.804 15.957 -4.343 1.00 23.34 O ATOM 542 CB GLU A 82 1.436 13.439 -3.613 1.00 34.34 C ATOM 543 CG GLU A 82 1.338 11.934 -3.803 1.00 13.44 C ATOM 544 CD GLU A 82 1.768 11.162 -2.571 1.00 61.51 C ATOM 545 OE1 GLU A 82 1.319 11.517 -1.461 1.00 74.13 O ATOM 546 OE2 GLU A 82 2.554 10.202 -2.717 1.00 2.35 O ATOM 0 H GLU A 82 2.647 13.580 -1.374 1.00 43.34 H new ATOM 0 HA GLU A 82 3.513 13.460 -4.165 1.00 40.22 H new ATOM 0 HB2 GLU A 82 0.844 13.726 -2.744 1.00 34.34 H new ATOM 0 HB3 GLU A 82 0.995 13.935 -4.477 1.00 34.34 H new ATOM 0 HG2 GLU A 82 0.311 11.669 -4.053 1.00 13.44 H new ATOM 0 HG3 GLU A 82 1.959 11.637 -4.648 1.00 13.44 H new ATOM 553 N PHE A 83 1.973 16.163 -3.052 1.00 1.42 N ATOM 554 CA PHE A 83 1.910 17.614 -3.183 1.00 44.41 C ATOM 555 C PHE A 83 2.497 18.298 -1.951 1.00 62.24 C ATOM 556 O PHE A 83 2.425 17.771 -0.841 1.00 23.20 O ATOM 557 CB PHE A 83 0.464 18.067 -3.391 1.00 34.14 C ATOM 558 CG PHE A 83 -0.376 17.979 -2.148 1.00 71.24 C ATOM 559 CD1 PHE A 83 -0.418 19.031 -1.248 1.00 41.34 C ATOM 560 CD2 PHE A 83 -1.123 16.843 -1.880 1.00 52.05 C ATOM 561 CE1 PHE A 83 -1.190 18.954 -0.104 1.00 61.34 C ATOM 562 CE2 PHE A 83 -1.897 16.760 -0.739 1.00 33.15 C ATOM 563 CZ PHE A 83 -1.930 17.816 0.151 1.00 23.12 C ATOM 0 H PHE A 83 1.236 15.760 -2.474 1.00 1.42 H new ATOM 0 HA PHE A 83 2.502 17.901 -4.053 1.00 44.41 H new ATOM 0 HB2 PHE A 83 0.462 19.096 -3.749 1.00 34.14 H new ATOM 0 HB3 PHE A 83 0.009 17.457 -4.171 1.00 34.14 H new ATOM 0 HD1 PHE A 83 0.160 19.923 -1.443 1.00 41.34 H new ATOM 0 HD2 PHE A 83 -1.100 16.013 -2.571 1.00 52.05 H new ATOM 0 HE1 PHE A 83 -1.215 19.782 0.589 1.00 61.34 H new ATOM 0 HE2 PHE A 83 -2.476 15.870 -0.543 1.00 33.15 H new ATOM 0 HZ PHE A 83 -2.533 17.752 1.044 1.00 23.12 H new ATOM 573 N LYS A 84 3.079 19.475 -2.156 1.00 72.30 N ATOM 574 CA LYS A 84 3.678 20.233 -1.064 1.00 62.31 C ATOM 575 C LYS A 84 3.221 21.688 -1.097 1.00 21.45 C ATOM 576 O LYS A 84 3.919 22.579 -0.612 1.00 43.32 O ATOM 577 CB LYS A 84 5.205 20.165 -1.147 1.00 32.34 C ATOM 578 CG LYS A 84 5.764 20.642 -2.476 1.00 0.14 C ATOM 579 CD LYS A 84 7.076 19.952 -2.809 1.00 72.40 C ATOM 580 CE LYS A 84 7.847 20.707 -3.881 1.00 75.31 C ATOM 581 NZ LYS A 84 7.015 20.955 -5.091 1.00 14.41 N ATOM 0 H LYS A 84 3.148 19.925 -3.069 1.00 72.30 H new ATOM 0 HA LYS A 84 3.351 19.789 -0.124 1.00 62.31 H new ATOM 0 HB2 LYS A 84 5.631 20.769 -0.346 1.00 32.34 H new ATOM 0 HB3 LYS A 84 5.524 19.137 -0.976 1.00 32.34 H new ATOM 0 HG2 LYS A 84 5.039 20.449 -3.267 1.00 0.14 H new ATOM 0 HG3 LYS A 84 5.918 21.721 -2.441 1.00 0.14 H new ATOM 0 HD2 LYS A 84 7.685 19.873 -1.909 1.00 72.40 H new ATOM 0 HD3 LYS A 84 6.878 18.936 -3.150 1.00 72.40 H new ATOM 0 HE2 LYS A 84 8.194 21.658 -3.477 1.00 75.31 H new ATOM 0 HE3 LYS A 84 8.733 20.137 -4.160 1.00 75.31 H new ATOM 0 HZ1 LYS A 84 7.617 21.317 -5.858 1.00 14.41 H new ATOM 0 HZ2 LYS A 84 6.567 20.066 -5.392 1.00 14.41 H new ATOM 0 HZ3 LYS A 84 6.279 21.656 -4.869 1.00 14.41 H new ATOM 595 N LEU A 85 2.045 21.921 -1.668 1.00 60.35 N ATOM 596 CA LEU A 85 1.494 23.268 -1.762 1.00 54.04 C ATOM 597 C LEU A 85 0.322 23.445 -0.802 1.00 3.35 C ATOM 598 O LEU A 85 -0.287 22.479 -0.342 1.00 52.31 O ATOM 599 CB LEU A 85 1.041 23.556 -3.195 1.00 0.31 C ATOM 600 CG LEU A 85 -0.456 23.410 -3.468 1.00 73.00 C ATOM 601 CD1 LEU A 85 -0.778 23.802 -4.902 1.00 32.51 C ATOM 602 CD2 LEU A 85 -0.913 21.986 -3.187 1.00 31.12 C ATOM 0 H LEU A 85 1.454 21.195 -2.073 1.00 60.35 H new ATOM 0 HA LEU A 85 2.277 23.974 -1.485 1.00 54.04 H new ATOM 0 HB2 LEU A 85 1.339 24.573 -3.452 1.00 0.31 H new ATOM 0 HB3 LEU A 85 1.579 22.887 -3.866 1.00 0.31 H new ATOM 0 HG LEU A 85 -0.995 24.082 -2.800 1.00 73.00 H new ATOM 0 HD11 LEU A 85 -1.848 23.692 -5.078 1.00 32.51 H new ATOM 0 HD12 LEU A 85 -0.488 24.839 -5.070 1.00 32.51 H new ATOM 0 HD13 LEU A 85 -0.229 23.156 -5.588 1.00 32.51 H new ATOM 0 HD21 LEU A 85 -1.981 21.901 -3.387 1.00 31.12 H new ATOM 0 HD22 LEU A 85 -0.367 21.295 -3.830 1.00 31.12 H new ATOM 0 HD23 LEU A 85 -0.718 21.741 -2.143 1.00 31.12 H new ATOM 614 N PRO A 86 -0.003 24.709 -0.491 1.00 43.01 N ATOM 615 CA PRO A 86 -1.105 25.043 0.416 1.00 70.13 C ATOM 616 C PRO A 86 -2.469 24.738 -0.193 1.00 53.15 C ATOM 617 O PRO A 86 -2.566 24.068 -1.222 1.00 12.02 O ATOM 618 CB PRO A 86 -0.941 26.549 0.634 1.00 52.24 C ATOM 619 CG PRO A 86 -0.227 27.032 -0.581 1.00 43.22 C ATOM 620 CD PRO A 86 0.681 25.909 -1.002 1.00 14.32 C ATOM 0 HA PRO A 86 -1.068 24.459 1.336 1.00 70.13 H new ATOM 0 HB2 PRO A 86 -1.907 27.040 0.747 1.00 52.24 H new ATOM 0 HB3 PRO A 86 -0.370 26.758 1.538 1.00 52.24 H new ATOM 0 HG2 PRO A 86 -0.932 27.282 -1.374 1.00 43.22 H new ATOM 0 HG3 PRO A 86 0.344 27.935 -0.365 1.00 43.22 H new ATOM 0 HD2 PRO A 86 0.801 25.873 -2.085 1.00 14.32 H new ATOM 0 HD3 PRO A 86 1.678 26.016 -0.575 1.00 14.32 H new ATOM 628 N LYS A 87 -3.522 25.235 0.447 1.00 33.50 N ATOM 629 CA LYS A 87 -4.882 25.017 -0.032 1.00 52.31 C ATOM 630 C LYS A 87 -5.314 26.139 -0.972 1.00 24.51 C ATOM 631 O LYS A 87 -6.502 26.311 -1.244 1.00 21.50 O ATOM 632 CB LYS A 87 -5.852 24.925 1.148 1.00 11.21 C ATOM 633 CG LYS A 87 -7.043 24.019 0.888 1.00 42.04 C ATOM 634 CD LYS A 87 -7.666 23.530 2.184 1.00 2.24 C ATOM 635 CE LYS A 87 -9.176 23.395 2.061 1.00 22.20 C ATOM 636 NZ LYS A 87 -9.771 22.723 3.249 1.00 14.33 N ATOM 0 H LYS A 87 -3.460 25.792 1.299 1.00 33.50 H new ATOM 0 HA LYS A 87 -4.900 24.077 -0.583 1.00 52.31 H new ATOM 0 HB2 LYS A 87 -5.313 24.561 2.023 1.00 11.21 H new ATOM 0 HB3 LYS A 87 -6.213 25.925 1.390 1.00 11.21 H new ATOM 0 HG2 LYS A 87 -7.790 24.557 0.305 1.00 42.04 H new ATOM 0 HG3 LYS A 87 -6.727 23.164 0.290 1.00 42.04 H new ATOM 0 HD2 LYS A 87 -7.235 22.567 2.455 1.00 2.24 H new ATOM 0 HD3 LYS A 87 -7.426 24.225 2.989 1.00 2.24 H new ATOM 0 HE2 LYS A 87 -9.621 24.383 1.942 1.00 22.20 H new ATOM 0 HE3 LYS A 87 -9.418 22.826 1.163 1.00 22.20 H new ATOM 0 HZ1 LYS A 87 -10.803 22.665 3.135 1.00 14.33 H new ATOM 0 HZ2 LYS A 87 -9.378 21.764 3.338 1.00 14.33 H new ATOM 0 HZ3 LYS A 87 -9.548 23.270 4.105 1.00 14.33 H new ATOM 650 N ASP A 88 -4.341 26.897 -1.466 1.00 13.23 N ATOM 651 CA ASP A 88 -4.621 28.000 -2.378 1.00 4.55 C ATOM 652 C ASP A 88 -5.355 27.506 -3.620 1.00 13.13 C ATOM 653 O ASP A 88 -6.034 28.276 -4.300 1.00 63.00 O ATOM 654 CB ASP A 88 -3.321 28.697 -2.782 1.00 44.32 C ATOM 655 CG ASP A 88 -2.407 27.796 -3.589 1.00 32.51 C ATOM 656 OD1 ASP A 88 -2.205 26.635 -3.176 1.00 63.31 O ATOM 657 OD2 ASP A 88 -1.894 28.251 -4.633 1.00 30.13 O ATOM 0 H ASP A 88 -3.352 26.768 -1.250 1.00 13.23 H new ATOM 0 HA ASP A 88 -5.262 28.714 -1.860 1.00 4.55 H new ATOM 0 HB2 ASP A 88 -3.556 29.587 -3.365 1.00 44.32 H new ATOM 0 HB3 ASP A 88 -2.798 29.031 -1.886 1.00 44.32 H new ATOM 662 N PHE A 89 -5.215 26.217 -3.910 1.00 44.03 N ATOM 663 CA PHE A 89 -5.863 25.620 -5.072 1.00 31.00 C ATOM 664 C PHE A 89 -7.249 25.094 -4.711 1.00 12.24 C ATOM 665 O PHE A 89 -7.618 23.977 -5.076 1.00 5.23 O ATOM 666 CB PHE A 89 -5.005 24.485 -5.634 1.00 72.41 C ATOM 667 CG PHE A 89 -5.051 24.384 -7.132 1.00 61.20 C ATOM 668 CD1 PHE A 89 -6.258 24.457 -7.808 1.00 33.11 C ATOM 669 CD2 PHE A 89 -3.887 24.217 -7.864 1.00 64.52 C ATOM 670 CE1 PHE A 89 -6.303 24.364 -9.186 1.00 71.31 C ATOM 671 CE2 PHE A 89 -3.925 24.123 -9.243 1.00 12.12 C ATOM 672 CZ PHE A 89 -5.135 24.198 -9.904 1.00 71.25 C ATOM 0 H PHE A 89 -4.659 25.566 -3.356 1.00 44.03 H new ATOM 0 HA PHE A 89 -5.974 26.393 -5.832 1.00 31.00 H new ATOM 0 HB2 PHE A 89 -3.972 24.631 -5.319 1.00 72.41 H new ATOM 0 HB3 PHE A 89 -5.339 23.541 -5.204 1.00 72.41 H new ATOM 0 HD1 PHE A 89 -7.174 24.588 -7.252 1.00 33.11 H new ATOM 0 HD2 PHE A 89 -2.938 24.160 -7.351 1.00 64.52 H new ATOM 0 HE1 PHE A 89 -7.251 24.421 -9.701 1.00 71.31 H new ATOM 0 HE2 PHE A 89 -3.010 23.991 -9.802 1.00 12.12 H new ATOM 0 HZ PHE A 89 -5.168 24.127 -10.981 1.00 71.25 H new ATOM 682 N THR A 90 -8.015 25.908 -3.990 1.00 22.44 N ATOM 683 CA THR A 90 -9.359 25.525 -3.577 1.00 12.44 C ATOM 684 C THR A 90 -10.291 26.732 -3.552 1.00 25.14 C ATOM 685 O THR A 90 -11.378 26.677 -2.979 1.00 2.33 O ATOM 686 CB THR A 90 -9.353 24.867 -2.184 1.00 72.11 C ATOM 687 OG1 THR A 90 -9.119 25.856 -1.175 1.00 73.04 O ATOM 688 CG2 THR A 90 -8.285 23.787 -2.101 1.00 4.44 C ATOM 0 H THR A 90 -7.727 26.836 -3.680 1.00 22.44 H new ATOM 0 HA THR A 90 -9.721 24.804 -4.310 1.00 12.44 H new ATOM 0 HB THR A 90 -10.327 24.406 -2.020 1.00 72.11 H new ATOM 0 HG1 THR A 90 -8.169 26.096 -1.166 1.00 73.04 H new ATOM 0 HG21 THR A 90 -8.299 23.337 -1.109 1.00 4.44 H new ATOM 0 HG22 THR A 90 -8.483 23.021 -2.850 1.00 4.44 H new ATOM 0 HG23 THR A 90 -7.306 24.229 -2.285 1.00 4.44 H new ATOM 696 N GLY A 91 -9.857 27.822 -4.178 1.00 21.21 N ATOM 697 CA GLY A 91 -10.665 29.027 -4.216 1.00 20.42 C ATOM 698 C GLY A 91 -10.708 29.653 -5.596 1.00 33.44 C ATOM 699 O GLY A 91 -11.010 30.838 -5.738 1.00 22.33 O ATOM 0 H GLY A 91 -8.960 27.892 -4.659 1.00 21.21 H new ATOM 0 HA2 GLY A 91 -11.680 28.791 -3.896 1.00 20.42 H new ATOM 0 HA3 GLY A 91 -10.267 29.750 -3.505 1.00 20.42 H new ATOM 703 N ARG A 92 -10.405 28.856 -6.615 1.00 22.40 N ATOM 704 CA ARG A 92 -10.408 29.340 -7.990 1.00 64.42 C ATOM 705 C ARG A 92 -11.629 28.824 -8.746 1.00 30.24 C ATOM 706 O ARG A 92 -12.098 29.455 -9.692 1.00 53.42 O ATOM 707 CB ARG A 92 -9.129 28.905 -8.709 1.00 31.20 C ATOM 708 CG ARG A 92 -8.595 29.942 -9.683 1.00 1.53 C ATOM 709 CD ARG A 92 -7.616 29.328 -10.670 1.00 62.54 C ATOM 710 NE ARG A 92 -6.237 29.409 -10.197 1.00 4.31 N ATOM 711 CZ ARG A 92 -5.487 30.501 -10.303 1.00 23.40 C ATOM 712 NH1 ARG A 92 -5.980 31.596 -10.863 1.00 15.54 N ATOM 713 NH2 ARG A 92 -4.240 30.497 -9.848 1.00 52.31 N ATOM 0 H ARG A 92 -10.154 27.872 -6.514 1.00 22.40 H new ATOM 0 HA ARG A 92 -10.451 30.429 -7.965 1.00 64.42 H new ATOM 0 HB2 ARG A 92 -8.361 28.687 -7.967 1.00 31.20 H new ATOM 0 HB3 ARG A 92 -9.323 27.978 -9.249 1.00 31.20 H new ATOM 0 HG2 ARG A 92 -9.425 30.394 -10.226 1.00 1.53 H new ATOM 0 HG3 ARG A 92 -8.102 30.742 -9.130 1.00 1.53 H new ATOM 0 HD2 ARG A 92 -7.880 28.284 -10.840 1.00 62.54 H new ATOM 0 HD3 ARG A 92 -7.701 29.839 -11.629 1.00 62.54 H new ATOM 0 HE ARG A 92 -5.827 28.583 -9.762 1.00 4.31 H new ATOM 0 HH11 ARG A 92 -6.938 31.602 -11.214 1.00 15.54 H new ATOM 0 HH12 ARG A 92 -5.402 32.433 -10.943 1.00 15.54 H new ATOM 0 HH21 ARG A 92 -3.857 29.656 -9.417 1.00 52.31 H new ATOM 0 HH22 ARG A 92 -3.665 31.335 -9.930 1.00 52.31 H new ATOM 727 N SER A 93 -12.138 27.672 -8.321 1.00 34.05 N ATOM 728 CA SER A 93 -13.302 27.069 -8.959 1.00 73.12 C ATOM 729 C SER A 93 -14.590 27.726 -8.472 1.00 74.42 C ATOM 730 O SER A 93 -14.621 28.348 -7.410 1.00 74.41 O ATOM 731 CB SER A 93 -13.344 25.566 -8.676 1.00 71.04 C ATOM 732 OG SER A 93 -14.005 24.869 -9.718 1.00 41.14 O ATOM 0 H SER A 93 -11.762 27.138 -7.538 1.00 34.05 H new ATOM 0 HA SER A 93 -13.218 27.227 -10.034 1.00 73.12 H new ATOM 0 HB2 SER A 93 -12.329 25.185 -8.566 1.00 71.04 H new ATOM 0 HB3 SER A 93 -13.856 25.385 -7.731 1.00 71.04 H new ATOM 0 HG SER A 93 -14.017 23.911 -9.514 1.00 41.14 H new ATOM 738 N LYS A 94 -15.653 27.583 -9.257 1.00 32.32 N ATOM 739 CA LYS A 94 -16.946 28.160 -8.908 1.00 22.35 C ATOM 740 C LYS A 94 -17.736 27.218 -8.004 1.00 5.33 C ATOM 741 O LYS A 94 -18.701 27.626 -7.358 1.00 12.34 O ATOM 742 CB LYS A 94 -17.751 28.463 -10.173 1.00 42.13 C ATOM 743 CG LYS A 94 -16.942 29.153 -11.258 1.00 65.40 C ATOM 744 CD LYS A 94 -17.759 30.215 -11.973 1.00 2.50 C ATOM 745 CE LYS A 94 -16.888 31.074 -12.878 1.00 23.44 C ATOM 746 NZ LYS A 94 -17.595 32.306 -13.322 1.00 54.14 N ATOM 0 H LYS A 94 -15.644 27.072 -10.140 1.00 32.32 H new ATOM 0 HA LYS A 94 -16.767 29.089 -8.368 1.00 22.35 H new ATOM 0 HB2 LYS A 94 -18.154 27.531 -10.569 1.00 42.13 H new ATOM 0 HB3 LYS A 94 -18.602 29.092 -9.910 1.00 42.13 H new ATOM 0 HG2 LYS A 94 -16.056 29.610 -10.817 1.00 65.40 H new ATOM 0 HG3 LYS A 94 -16.594 28.414 -11.979 1.00 65.40 H new ATOM 0 HD2 LYS A 94 -18.540 29.737 -12.565 1.00 2.50 H new ATOM 0 HD3 LYS A 94 -18.257 30.848 -11.239 1.00 2.50 H new ATOM 0 HE2 LYS A 94 -15.976 31.350 -12.349 1.00 23.44 H new ATOM 0 HE3 LYS A 94 -16.588 30.494 -13.750 1.00 23.44 H new ATOM 0 HZ1 LYS A 94 -16.968 32.864 -13.936 1.00 54.14 H new ATOM 0 HZ2 LYS A 94 -18.452 32.043 -13.849 1.00 54.14 H new ATOM 0 HZ3 LYS A 94 -17.859 32.873 -12.491 1.00 54.14 H new ATOM 760 N CYS A 95 -17.318 25.957 -7.961 1.00 53.55 N ATOM 761 CA CYS A 95 -17.985 24.958 -7.136 1.00 73.11 C ATOM 762 C CYS A 95 -17.707 25.201 -5.656 1.00 2.24 C ATOM 763 O CYS A 95 -16.845 24.554 -5.061 1.00 44.01 O ATOM 764 CB CYS A 95 -17.525 23.553 -7.529 1.00 34.54 C ATOM 765 SG CYS A 95 -18.267 22.222 -6.530 1.00 23.51 S ATOM 0 H CYS A 95 -16.520 25.603 -8.488 1.00 53.55 H new ATOM 0 HA CYS A 95 -19.059 25.042 -7.304 1.00 73.11 H new ATOM 0 HB2 CYS A 95 -17.767 23.383 -8.578 1.00 34.54 H new ATOM 0 HB3 CYS A 95 -16.440 23.499 -7.439 1.00 34.54 H new ATOM 770 N ARG A 96 -18.443 26.138 -5.067 1.00 1.21 N ATOM 771 CA ARG A 96 -18.275 26.468 -3.657 1.00 21.13 C ATOM 772 C ARG A 96 -19.338 25.778 -2.807 1.00 0.12 C ATOM 773 O ARG A 96 -19.022 24.962 -1.941 1.00 63.14 O ATOM 774 CB ARG A 96 -18.347 27.982 -3.453 1.00 13.30 C ATOM 775 CG ARG A 96 -17.749 28.449 -2.136 1.00 62.10 C ATOM 776 CD ARG A 96 -18.787 28.460 -1.025 1.00 71.21 C ATOM 777 NE ARG A 96 -18.208 28.835 0.262 1.00 41.31 N ATOM 778 CZ ARG A 96 -18.928 29.046 1.358 1.00 24.24 C ATOM 779 NH1 ARG A 96 -20.247 28.918 1.324 1.00 22.32 N ATOM 780 NH2 ARG A 96 -18.328 29.385 2.492 1.00 24.33 N ATOM 0 H ARG A 96 -19.162 26.682 -5.545 1.00 1.21 H new ATOM 0 HA ARG A 96 -17.294 26.112 -3.341 1.00 21.13 H new ATOM 0 HB2 ARG A 96 -17.827 28.476 -4.274 1.00 13.30 H new ATOM 0 HB3 ARG A 96 -19.389 28.297 -3.501 1.00 13.30 H new ATOM 0 HG2 ARG A 96 -16.924 27.794 -1.858 1.00 62.10 H new ATOM 0 HG3 ARG A 96 -17.335 29.450 -2.258 1.00 62.10 H new ATOM 0 HD2 ARG A 96 -19.584 29.158 -1.281 1.00 71.21 H new ATOM 0 HD3 ARG A 96 -19.242 27.473 -0.944 1.00 71.21 H new ATOM 0 HE ARG A 96 -17.195 28.941 0.323 1.00 41.31 H new ATOM 0 HH11 ARG A 96 -20.712 28.657 0.454 1.00 22.32 H new ATOM 0 HH12 ARG A 96 -20.797 29.081 2.167 1.00 22.32 H new ATOM 0 HH21 ARG A 96 -17.313 29.484 2.522 1.00 24.33 H new ATOM 0 HH22 ARG A 96 -18.882 29.547 3.333 1.00 24.33 H new ATOM 794 N SER A 97 -20.599 26.113 -3.060 1.00 33.33 N ATOM 795 CA SER A 97 -21.709 25.529 -2.315 1.00 41.01 C ATOM 796 C SER A 97 -22.864 25.177 -3.248 1.00 64.20 C ATOM 797 O SER A 97 -23.595 26.054 -3.709 1.00 1.32 O ATOM 798 CB SER A 97 -22.190 26.497 -1.233 1.00 10.51 C ATOM 799 OG SER A 97 -23.176 25.896 -0.412 1.00 30.11 O ATOM 0 H SER A 97 -20.878 26.785 -3.775 1.00 33.33 H new ATOM 0 HA SER A 97 -21.355 24.613 -1.842 1.00 41.01 H new ATOM 0 HB2 SER A 97 -21.345 26.812 -0.621 1.00 10.51 H new ATOM 0 HB3 SER A 97 -22.598 27.394 -1.699 1.00 10.51 H new ATOM 0 HG SER A 97 -23.466 26.535 0.272 1.00 30.11 H new ATOM 805 N LEU A 98 -23.021 23.887 -3.522 1.00 74.45 N ATOM 806 CA LEU A 98 -24.087 23.416 -4.401 1.00 20.04 C ATOM 807 C LEU A 98 -25.166 22.688 -3.606 1.00 30.24 C ATOM 808 O LEU A 98 -26.324 22.632 -4.018 1.00 1.03 O ATOM 809 CB LEU A 98 -23.517 22.489 -5.476 1.00 3.22 C ATOM 810 CG LEU A 98 -22.797 23.173 -6.639 1.00 14.32 C ATOM 811 CD1 LEU A 98 -21.745 22.250 -7.232 1.00 43.15 C ATOM 812 CD2 LEU A 98 -23.795 23.603 -7.705 1.00 31.53 C ATOM 0 H LEU A 98 -22.425 23.148 -3.149 1.00 74.45 H new ATOM 0 HA LEU A 98 -24.538 24.284 -4.881 1.00 20.04 H new ATOM 0 HB2 LEU A 98 -22.821 21.798 -5.000 1.00 3.22 H new ATOM 0 HB3 LEU A 98 -24.333 21.891 -5.881 1.00 3.22 H new ATOM 0 HG LEU A 98 -22.296 24.063 -6.259 1.00 14.32 H new ATOM 0 HD11 LEU A 98 -21.243 22.754 -8.058 1.00 43.15 H new ATOM 0 HD12 LEU A 98 -21.014 21.992 -6.466 1.00 43.15 H new ATOM 0 HD13 LEU A 98 -22.223 21.341 -7.598 1.00 43.15 H new ATOM 0 HD21 LEU A 98 -23.265 24.088 -8.525 1.00 31.53 H new ATOM 0 HD22 LEU A 98 -24.324 22.728 -8.082 1.00 31.53 H new ATOM 0 HD23 LEU A 98 -24.511 24.302 -7.272 1.00 31.53 H new ATOM 824 N GLY A 99 -24.778 22.132 -2.462 1.00 2.23 N ATOM 825 CA GLY A 99 -25.724 21.417 -1.626 1.00 31.22 C ATOM 826 C GLY A 99 -26.031 20.030 -2.154 1.00 74.32 C ATOM 827 O GLY A 99 -27.187 19.705 -2.430 1.00 25.03 O ATOM 0 H GLY A 99 -23.825 22.164 -2.100 1.00 2.23 H new ATOM 0 HA2 GLY A 99 -25.323 21.337 -0.615 1.00 31.22 H new ATOM 0 HA3 GLY A 99 -26.649 21.989 -1.558 1.00 31.22 H new ATOM 831 N ARG A 100 -24.995 19.210 -2.298 1.00 33.14 N ATOM 832 CA ARG A 100 -25.160 17.851 -2.800 1.00 10.04 C ATOM 833 C ARG A 100 -24.505 16.842 -1.861 1.00 73.41 C ATOM 834 O ARG A 100 -23.500 16.220 -2.206 1.00 71.23 O ATOM 835 CB ARG A 100 -24.558 17.726 -4.201 1.00 35.35 C ATOM 836 CG ARG A 100 -24.927 16.432 -4.908 1.00 60.11 C ATOM 837 CD ARG A 100 -26.368 16.454 -5.395 1.00 25.24 C ATOM 838 NE ARG A 100 -26.711 15.247 -6.142 1.00 34.03 N ATOM 839 CZ ARG A 100 -27.959 14.877 -6.406 1.00 74.02 C ATOM 840 NH1 ARG A 100 -28.977 15.617 -5.987 1.00 23.32 N ATOM 841 NH2 ARG A 100 -28.192 13.765 -7.092 1.00 1.10 N ATOM 0 H ARG A 100 -24.033 19.463 -2.074 1.00 33.14 H new ATOM 0 HA ARG A 100 -26.227 17.635 -2.850 1.00 10.04 H new ATOM 0 HB2 ARG A 100 -24.890 18.569 -4.807 1.00 35.35 H new ATOM 0 HB3 ARG A 100 -23.473 17.794 -4.128 1.00 35.35 H new ATOM 0 HG2 ARG A 100 -24.258 16.275 -5.754 1.00 60.11 H new ATOM 0 HG3 ARG A 100 -24.784 15.592 -4.229 1.00 60.11 H new ATOM 0 HD2 ARG A 100 -27.038 16.555 -4.541 1.00 25.24 H new ATOM 0 HD3 ARG A 100 -26.524 17.328 -6.027 1.00 25.24 H new ATOM 0 HE ARG A 100 -25.951 14.656 -6.479 1.00 34.03 H new ATOM 0 HH11 ARG A 100 -28.803 16.473 -5.460 1.00 23.32 H new ATOM 0 HH12 ARG A 100 -29.934 15.330 -6.191 1.00 23.32 H new ATOM 0 HH21 ARG A 100 -27.412 13.193 -7.417 1.00 1.10 H new ATOM 0 HH22 ARG A 100 -29.151 13.482 -7.294 1.00 1.10 H new ATOM 855 N ILE A 101 -25.081 16.685 -0.674 1.00 55.11 N ATOM 856 CA ILE A 101 -24.554 15.751 0.313 1.00 13.32 C ATOM 857 C ILE A 101 -25.267 14.405 0.232 1.00 3.54 C ATOM 858 O ILE A 101 -25.289 13.643 1.199 1.00 55.21 O ATOM 859 CB ILE A 101 -24.691 16.307 1.743 1.00 33.10 C ATOM 860 CG1 ILE A 101 -26.159 16.602 2.060 1.00 3.05 C ATOM 861 CG2 ILE A 101 -23.846 17.561 1.907 1.00 24.13 C ATOM 862 CD1 ILE A 101 -26.759 15.657 3.078 1.00 62.35 C ATOM 0 H ILE A 101 -25.913 17.193 -0.373 1.00 55.11 H new ATOM 0 HA ILE A 101 -23.497 15.614 0.085 1.00 13.32 H new ATOM 0 HB ILE A 101 -24.331 15.555 2.445 1.00 33.10 H new ATOM 0 HG12 ILE A 101 -26.244 17.624 2.430 1.00 3.05 H new ATOM 0 HG13 ILE A 101 -26.739 16.547 1.139 1.00 3.05 H new ATOM 0 HG21 ILE A 101 -23.953 17.942 2.923 1.00 24.13 H new ATOM 0 HG22 ILE A 101 -22.799 17.322 1.718 1.00 24.13 H new ATOM 0 HG23 ILE A 101 -24.179 18.319 1.198 1.00 24.13 H new ATOM 0 HD11 ILE A 101 -27.801 15.925 3.254 1.00 62.35 H new ATOM 0 HD12 ILE A 101 -26.706 14.635 2.702 1.00 62.35 H new ATOM 0 HD13 ILE A 101 -26.203 15.729 4.013 1.00 62.35 H new ATOM 874 N LYS A 102 -25.847 14.118 -0.928 1.00 44.10 N ATOM 875 CA LYS A 102 -26.558 12.863 -1.138 1.00 62.33 C ATOM 876 C LYS A 102 -26.064 12.162 -2.400 1.00 51.53 C ATOM 877 O LYS A 102 -25.710 12.812 -3.384 1.00 50.34 O ATOM 878 CB LYS A 102 -28.064 13.116 -1.239 1.00 4.41 C ATOM 879 CG LYS A 102 -28.897 11.847 -1.221 1.00 21.31 C ATOM 880 CD LYS A 102 -30.372 12.150 -1.016 1.00 44.40 C ATOM 881 CE LYS A 102 -31.228 10.907 -1.200 1.00 64.32 C ATOM 882 NZ LYS A 102 -30.951 9.883 -0.154 1.00 50.25 N ATOM 0 H LYS A 102 -25.839 14.738 -1.738 1.00 44.10 H new ATOM 0 HA LYS A 102 -26.361 12.216 -0.283 1.00 62.33 H new ATOM 0 HB2 LYS A 102 -28.373 13.755 -0.412 1.00 4.41 H new ATOM 0 HB3 LYS A 102 -28.271 13.663 -2.159 1.00 4.41 H new ATOM 0 HG2 LYS A 102 -28.762 11.309 -2.159 1.00 21.31 H new ATOM 0 HG3 LYS A 102 -28.545 11.191 -0.424 1.00 21.31 H new ATOM 0 HD2 LYS A 102 -30.526 12.554 -0.015 1.00 44.40 H new ATOM 0 HD3 LYS A 102 -30.688 12.918 -1.722 1.00 44.40 H new ATOM 0 HE2 LYS A 102 -32.282 11.184 -1.167 1.00 64.32 H new ATOM 0 HE3 LYS A 102 -31.041 10.480 -2.185 1.00 64.32 H new ATOM 0 HZ1 LYS A 102 -31.578 9.065 -0.294 1.00 50.25 H new ATOM 0 HZ2 LYS A 102 -29.960 9.575 -0.223 1.00 50.25 H new ATOM 0 HZ3 LYS A 102 -31.121 10.293 0.787 1.00 50.25 H new TER 896 LYS A 102