USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=6 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= -0.126 K(o=-0.13,f=-1.9!) USER MOD Single : A 52 GLN : amide:sc=-0.000398 X(o=-0.0004,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.0062) 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 :FLIP amide:sc= -0.509 F(o=-1.3,f=-0.51) USER MOD Single : A 77 ASN : amide:sc= -1.02 K(o=-1,f=-3.9!) USER MOD Single : A 80 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 81 GLN : amide:sc= -0.0055 X(o=-0.0055,f=-0.13) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -93:sc= 1.24 USER MOD Single : A 93 SER OG : rot -109:sc= -1.89 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+ 140:sc= -0.256 (180deg=-1.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 3.163 0.395 -1.806 1.00 32.42 N ATOM 2 CA GLY A 46 4.556 0.539 -2.184 1.00 64.21 C ATOM 3 C GLY A 46 4.844 1.875 -2.839 1.00 41.20 C ATOM 4 O GLY A 46 5.798 2.561 -2.472 1.00 41.34 O ATOM 0 HA2 GLY A 46 5.183 0.429 -1.299 1.00 64.21 H new ATOM 0 HA3 GLY A 46 4.828 -0.264 -2.869 1.00 64.21 H new ATOM 8 N SER A 47 4.018 2.245 -3.812 1.00 41.53 N ATOM 9 CA SER A 47 4.192 3.506 -4.524 1.00 52.30 C ATOM 10 C SER A 47 3.262 4.579 -3.964 1.00 71.44 C ATOM 11 O SER A 47 2.212 4.273 -3.401 1.00 72.45 O ATOM 12 CB SER A 47 3.926 3.314 -6.018 1.00 72.22 C ATOM 13 OG SER A 47 2.570 2.976 -6.256 1.00 0.45 O ATOM 0 H SER A 47 3.222 1.690 -4.126 1.00 41.53 H new ATOM 0 HA SER A 47 5.222 3.834 -4.385 1.00 52.30 H new ATOM 0 HB2 SER A 47 4.176 4.229 -6.555 1.00 72.22 H new ATOM 0 HB3 SER A 47 4.574 2.529 -6.408 1.00 72.22 H new ATOM 0 HG SER A 47 2.426 2.860 -7.218 1.00 0.45 H new ATOM 19 N ASN A 48 3.657 5.838 -4.124 1.00 21.51 N ATOM 20 CA ASN A 48 2.860 6.957 -3.634 1.00 62.45 C ATOM 21 C ASN A 48 2.339 7.801 -4.793 1.00 44.52 C ATOM 22 O ASN A 48 2.855 7.753 -5.910 1.00 73.23 O ATOM 23 CB ASN A 48 3.691 7.826 -2.688 1.00 33.31 C ATOM 24 CG ASN A 48 3.610 7.354 -1.249 1.00 72.40 C ATOM 25 OD1 ASN A 48 2.957 6.354 -0.948 1.00 10.34 O ATOM 26 ND2 ASN A 48 4.275 8.073 -0.352 1.00 74.13 N ATOM 0 H ASN A 48 4.524 6.109 -4.589 1.00 21.51 H new ATOM 0 HA ASN A 48 2.007 6.553 -3.089 1.00 62.45 H new ATOM 0 HB2 ASN A 48 4.732 7.819 -3.012 1.00 33.31 H new ATOM 0 HB3 ASN A 48 3.346 8.858 -2.749 1.00 33.31 H new ATOM 0 HD21 ASN A 48 4.258 7.804 0.632 1.00 74.13 H new ATOM 0 HD22 ASN A 48 4.803 8.894 -0.647 1.00 74.13 H new ATOM 33 N PRO A 49 1.293 8.596 -4.523 1.00 21.13 N ATOM 34 CA PRO A 49 0.680 9.468 -5.529 1.00 61.21 C ATOM 35 C PRO A 49 1.587 10.630 -5.919 1.00 11.11 C ATOM 36 O PRO A 49 2.763 10.661 -5.556 1.00 12.24 O ATOM 37 CB PRO A 49 -0.580 9.984 -4.831 1.00 15.02 C ATOM 38 CG PRO A 49 -0.269 9.900 -3.376 1.00 51.24 C ATOM 39 CD PRO A 49 0.628 8.705 -3.213 1.00 62.33 C ATOM 0 HA PRO A 49 0.481 8.938 -6.461 1.00 61.21 H new ATOM 0 HB2 PRO A 49 -0.806 11.008 -5.129 1.00 15.02 H new ATOM 0 HB3 PRO A 49 -1.450 9.378 -5.085 1.00 15.02 H new ATOM 0 HG2 PRO A 49 0.224 10.808 -3.029 1.00 51.24 H new ATOM 0 HG3 PRO A 49 -1.180 9.787 -2.788 1.00 51.24 H new ATOM 0 HD2 PRO A 49 1.348 8.850 -2.408 1.00 62.33 H new ATOM 0 HD3 PRO A 49 0.060 7.806 -2.975 1.00 62.33 H new ATOM 47 N ASP A 50 1.033 11.584 -6.659 1.00 61.25 N ATOM 48 CA ASP A 50 1.792 12.750 -7.097 1.00 61.53 C ATOM 49 C ASP A 50 1.032 14.037 -6.796 1.00 52.43 C ATOM 50 O ASP A 50 -0.180 14.035 -6.579 1.00 51.41 O ATOM 51 CB ASP A 50 2.091 12.657 -8.594 1.00 40.25 C ATOM 52 CG ASP A 50 1.008 11.920 -9.357 1.00 33.12 C ATOM 53 OD1 ASP A 50 0.945 10.678 -9.245 1.00 35.01 O ATOM 54 OD2 ASP A 50 0.223 12.585 -10.066 1.00 24.20 O ATOM 0 H ASP A 50 0.061 11.573 -6.968 1.00 61.25 H new ATOM 0 HA ASP A 50 2.733 12.768 -6.547 1.00 61.53 H new ATOM 0 HB2 ASP A 50 2.200 13.662 -9.003 1.00 40.25 H new ATOM 0 HB3 ASP A 50 3.044 12.149 -8.740 1.00 40.25 H new ATOM 59 N PRO A 51 1.759 15.164 -6.781 1.00 52.45 N ATOM 60 CA PRO A 51 1.174 16.480 -6.508 1.00 13.34 C ATOM 61 C PRO A 51 0.272 16.961 -7.639 1.00 71.34 C ATOM 62 O PRO A 51 -0.357 18.014 -7.539 1.00 23.11 O ATOM 63 CB PRO A 51 2.397 17.391 -6.375 1.00 15.54 C ATOM 64 CG PRO A 51 3.460 16.717 -7.171 1.00 31.03 C ATOM 65 CD PRO A 51 3.208 15.241 -7.032 1.00 10.14 C ATOM 0 HA PRO A 51 0.537 16.467 -5.624 1.00 13.34 H new ATOM 0 HB2 PRO A 51 2.190 18.390 -6.758 1.00 15.54 H new ATOM 0 HB3 PRO A 51 2.695 17.504 -5.333 1.00 15.54 H new ATOM 0 HG2 PRO A 51 3.418 17.023 -8.216 1.00 31.03 H new ATOM 0 HG3 PRO A 51 4.451 16.980 -6.801 1.00 31.03 H new ATOM 0 HD2 PRO A 51 3.489 14.699 -7.935 1.00 10.14 H new ATOM 0 HD3 PRO A 51 3.781 14.811 -6.211 1.00 10.14 H new ATOM 73 N GLN A 52 0.214 16.182 -8.715 1.00 34.33 N ATOM 74 CA GLN A 52 -0.612 16.529 -9.865 1.00 42.23 C ATOM 75 C GLN A 52 -2.007 15.928 -9.736 1.00 33.32 C ATOM 76 O GLN A 52 -2.994 16.531 -10.154 1.00 53.44 O ATOM 77 CB GLN A 52 0.048 16.044 -11.158 1.00 15.53 C ATOM 78 CG GLN A 52 1.526 16.386 -11.252 1.00 31.25 C ATOM 79 CD GLN A 52 2.155 15.905 -12.544 1.00 70.23 C ATOM 80 OE1 GLN A 52 2.093 14.720 -12.875 1.00 42.32 O ATOM 81 NE2 GLN A 52 2.765 16.824 -13.284 1.00 21.43 N ATOM 0 H GLN A 52 0.729 15.307 -8.814 1.00 34.33 H new ATOM 0 HA GLN A 52 -0.707 17.614 -9.898 1.00 42.23 H new ATOM 0 HB2 GLN A 52 -0.072 14.963 -11.234 1.00 15.53 H new ATOM 0 HB3 GLN A 52 -0.473 16.483 -12.009 1.00 15.53 H new ATOM 0 HG2 GLN A 52 1.651 17.466 -11.171 1.00 31.25 H new ATOM 0 HG3 GLN A 52 2.053 15.940 -10.408 1.00 31.25 H new ATOM 0 HE21 GLN A 52 2.792 17.795 -12.971 1.00 21.43 H new ATOM 0 HE22 GLN A 52 3.206 16.559 -14.165 1.00 21.43 H new ATOM 90 N GLU A 53 -2.080 14.735 -9.154 1.00 34.33 N ATOM 91 CA GLU A 53 -3.356 14.052 -8.971 1.00 23.32 C ATOM 92 C GLU A 53 -3.978 14.413 -7.625 1.00 54.03 C ATOM 93 O GLU A 53 -5.190 14.607 -7.521 1.00 44.11 O ATOM 94 CB GLU A 53 -3.166 12.536 -9.067 1.00 54.41 C ATOM 95 CG GLU A 53 -2.145 11.987 -8.085 1.00 73.02 C ATOM 96 CD GLU A 53 -1.962 10.487 -8.212 1.00 51.12 C ATOM 97 OE1 GLU A 53 -1.570 10.028 -9.306 1.00 10.52 O ATOM 98 OE2 GLU A 53 -2.211 9.772 -7.219 1.00 43.21 O ATOM 0 H GLU A 53 -1.272 14.222 -8.802 1.00 34.33 H new ATOM 0 HA GLU A 53 -4.031 14.378 -9.763 1.00 23.32 H new ATOM 0 HB2 GLU A 53 -4.124 12.047 -8.893 1.00 54.41 H new ATOM 0 HB3 GLU A 53 -2.857 12.281 -10.080 1.00 54.41 H new ATOM 0 HG2 GLU A 53 -1.187 12.481 -8.248 1.00 73.02 H new ATOM 0 HG3 GLU A 53 -2.458 12.226 -7.069 1.00 73.02 H new ATOM 105 N VAL A 54 -3.141 14.501 -6.597 1.00 2.12 N ATOM 106 CA VAL A 54 -3.607 14.839 -5.258 1.00 15.44 C ATOM 107 C VAL A 54 -4.098 16.281 -5.195 1.00 14.34 C ATOM 108 O VAL A 54 -5.206 16.550 -4.730 1.00 62.10 O ATOM 109 CB VAL A 54 -2.497 14.641 -4.209 1.00 63.53 C ATOM 110 CG1 VAL A 54 -3.022 14.932 -2.812 1.00 55.31 C ATOM 111 CG2 VAL A 54 -1.933 13.230 -4.292 1.00 0.10 C ATOM 0 H VAL A 54 -2.136 14.343 -6.666 1.00 2.12 H new ATOM 0 HA VAL A 54 -4.434 14.165 -5.032 1.00 15.44 H new ATOM 0 HB VAL A 54 -1.692 15.344 -4.421 1.00 63.53 H new ATOM 0 HG11 VAL A 54 -2.223 14.786 -2.085 1.00 55.31 H new ATOM 0 HG12 VAL A 54 -3.374 15.962 -2.763 1.00 55.31 H new ATOM 0 HG13 VAL A 54 -3.846 14.256 -2.585 1.00 55.31 H new ATOM 0 HG21 VAL A 54 -1.150 13.107 -3.544 1.00 0.10 H new ATOM 0 HG22 VAL A 54 -2.729 12.509 -4.106 1.00 0.10 H new ATOM 0 HG23 VAL A 54 -1.516 13.063 -5.285 1.00 0.10 H new ATOM 121 N GLN A 55 -3.267 17.205 -5.666 1.00 23.14 N ATOM 122 CA GLN A 55 -3.617 18.620 -5.662 1.00 42.44 C ATOM 123 C GLN A 55 -4.975 18.847 -6.319 1.00 23.22 C ATOM 124 O GLN A 55 -5.852 19.494 -5.746 1.00 64.30 O ATOM 125 CB GLN A 55 -2.544 19.434 -6.388 1.00 51.33 C ATOM 126 CG GLN A 55 -2.888 20.909 -6.525 1.00 71.35 C ATOM 127 CD GLN A 55 -1.725 21.734 -7.039 1.00 60.14 C ATOM 128 OE1 GLN A 55 -1.865 22.497 -7.996 1.00 1.25 O ATOM 129 NE2 GLN A 55 -0.568 21.585 -6.406 1.00 5.22 N ATOM 0 H GLN A 55 -2.347 16.999 -6.055 1.00 23.14 H new ATOM 0 HA GLN A 55 -3.676 18.951 -4.625 1.00 42.44 H new ATOM 0 HB2 GLN A 55 -1.601 19.338 -5.850 1.00 51.33 H new ATOM 0 HB3 GLN A 55 -2.389 19.012 -7.381 1.00 51.33 H new ATOM 0 HG2 GLN A 55 -3.734 21.019 -7.203 1.00 71.35 H new ATOM 0 HG3 GLN A 55 -3.203 21.296 -5.556 1.00 71.35 H new ATOM 0 HE21 GLN A 55 -0.497 20.942 -5.618 1.00 5.22 H new ATOM 0 HE22 GLN A 55 0.250 22.114 -6.708 1.00 5.22 H new ATOM 138 N ARG A 56 -5.141 18.310 -7.523 1.00 40.33 N ATOM 139 CA ARG A 56 -6.392 18.455 -8.258 1.00 43.42 C ATOM 140 C ARG A 56 -7.550 17.829 -7.488 1.00 75.44 C ATOM 141 O ARG A 56 -8.716 18.115 -7.760 1.00 71.53 O ATOM 142 CB ARG A 56 -6.274 17.809 -9.640 1.00 32.03 C ATOM 143 CG ARG A 56 -5.273 18.499 -10.552 1.00 14.20 C ATOM 144 CD ARG A 56 -5.838 19.791 -11.123 1.00 33.44 C ATOM 145 NE ARG A 56 -6.803 19.541 -12.190 1.00 54.30 N ATOM 146 CZ ARG A 56 -7.155 20.452 -13.091 1.00 3.33 C ATOM 147 NH1 ARG A 56 -6.622 21.666 -13.053 1.00 55.12 N ATOM 148 NH2 ARG A 56 -8.040 20.150 -14.032 1.00 22.32 N ATOM 0 H ARG A 56 -4.425 17.771 -8.010 1.00 40.33 H new ATOM 0 HA ARG A 56 -6.593 19.520 -8.379 1.00 43.42 H new ATOM 0 HB2 ARG A 56 -5.984 16.765 -9.520 1.00 32.03 H new ATOM 0 HB3 ARG A 56 -7.253 17.815 -10.119 1.00 32.03 H new ATOM 0 HG2 ARG A 56 -4.360 18.714 -9.996 1.00 14.20 H new ATOM 0 HG3 ARG A 56 -4.999 17.829 -11.367 1.00 14.20 H new ATOM 0 HD2 ARG A 56 -6.317 20.360 -10.327 1.00 33.44 H new ATOM 0 HD3 ARG A 56 -5.023 20.404 -11.507 1.00 33.44 H new ATOM 0 HE ARG A 56 -7.230 18.617 -12.247 1.00 54.30 H new ATOM 0 HH11 ARG A 56 -5.941 21.902 -12.331 1.00 55.12 H new ATOM 0 HH12 ARG A 56 -6.893 22.364 -13.745 1.00 55.12 H new ATOM 0 HH21 ARG A 56 -8.451 19.217 -14.065 1.00 22.32 H new ATOM 0 HH22 ARG A 56 -8.309 20.851 -14.723 1.00 22.32 H new ATOM 162 N ALA A 57 -7.221 16.972 -6.527 1.00 1.20 N ATOM 163 CA ALA A 57 -8.233 16.306 -5.717 1.00 55.21 C ATOM 164 C ALA A 57 -8.647 17.173 -4.533 1.00 11.50 C ATOM 165 O ALA A 57 -9.778 17.087 -4.052 1.00 41.53 O ATOM 166 CB ALA A 57 -7.719 14.959 -5.233 1.00 34.43 C ATOM 0 H ALA A 57 -6.261 16.723 -6.290 1.00 1.20 H new ATOM 0 HA ALA A 57 -9.113 16.144 -6.340 1.00 55.21 H new ATOM 0 HB1 ALA A 57 -8.485 14.473 -4.629 1.00 34.43 H new ATOM 0 HB2 ALA A 57 -7.480 14.331 -6.091 1.00 34.43 H new ATOM 0 HB3 ALA A 57 -6.822 15.107 -4.631 1.00 34.43 H new ATOM 172 N LEU A 58 -7.725 18.008 -4.066 1.00 61.03 N ATOM 173 CA LEU A 58 -7.994 18.891 -2.937 1.00 3.31 C ATOM 174 C LEU A 58 -9.204 19.777 -3.214 1.00 41.25 C ATOM 175 O LEU A 58 -9.874 20.237 -2.290 1.00 44.53 O ATOM 176 CB LEU A 58 -6.769 19.759 -2.640 1.00 54.12 C ATOM 177 CG LEU A 58 -5.983 19.402 -1.378 1.00 71.54 C ATOM 178 CD1 LEU A 58 -4.555 19.914 -1.476 1.00 43.15 C ATOM 179 CD2 LEU A 58 -6.671 19.966 -0.144 1.00 23.23 C ATOM 0 H LEU A 58 -6.785 18.092 -4.452 1.00 61.03 H new ATOM 0 HA LEU A 58 -8.213 18.271 -2.067 1.00 3.31 H new ATOM 0 HB2 LEU A 58 -6.093 19.702 -3.493 1.00 54.12 H new ATOM 0 HB3 LEU A 58 -7.094 20.796 -2.560 1.00 54.12 H new ATOM 0 HG LEU A 58 -5.952 18.316 -1.287 1.00 71.54 H new ATOM 0 HD11 LEU A 58 -4.011 19.651 -0.569 1.00 43.15 H new ATOM 0 HD12 LEU A 58 -4.064 19.461 -2.338 1.00 43.15 H new ATOM 0 HD13 LEU A 58 -4.564 20.998 -1.592 1.00 43.15 H new ATOM 0 HD21 LEU A 58 -6.098 19.702 0.745 1.00 23.23 H new ATOM 0 HD22 LEU A 58 -6.734 21.051 -0.226 1.00 23.23 H new ATOM 0 HD23 LEU A 58 -7.675 19.549 -0.065 1.00 23.23 H new ATOM 191 N ALA A 59 -9.479 20.010 -4.494 1.00 14.14 N ATOM 192 CA ALA A 59 -10.611 20.837 -4.893 1.00 34.10 C ATOM 193 C ALA A 59 -11.883 20.005 -5.015 1.00 32.50 C ATOM 194 O ALA A 59 -12.991 20.542 -5.010 1.00 21.24 O ATOM 195 CB ALA A 59 -10.312 21.542 -6.207 1.00 41.44 C ATOM 0 H ALA A 59 -8.933 19.638 -5.271 1.00 14.14 H new ATOM 0 HA ALA A 59 -10.772 21.587 -4.119 1.00 34.10 H new ATOM 0 HB1 ALA A 59 -11.166 22.156 -6.493 1.00 41.44 H new ATOM 0 HB2 ALA A 59 -9.433 22.176 -6.088 1.00 41.44 H new ATOM 0 HB3 ALA A 59 -10.122 20.800 -6.983 1.00 41.44 H new ATOM 201 N ARG A 60 -11.717 18.691 -5.126 1.00 23.34 N ATOM 202 CA ARG A 60 -12.852 17.784 -5.251 1.00 2.50 C ATOM 203 C ARG A 60 -13.397 17.403 -3.878 1.00 21.41 C ATOM 204 O ARG A 60 -14.474 16.816 -3.768 1.00 62.31 O ATOM 205 CB ARG A 60 -12.444 16.525 -6.018 1.00 11.21 C ATOM 206 CG ARG A 60 -11.570 16.806 -7.229 1.00 51.13 C ATOM 207 CD ARG A 60 -11.110 15.519 -7.895 1.00 72.50 C ATOM 208 NE ARG A 60 -10.269 15.775 -9.061 1.00 3.43 N ATOM 209 CZ ARG A 60 -9.583 14.831 -9.695 1.00 33.42 C ATOM 210 NH1 ARG A 60 -9.640 13.573 -9.278 1.00 40.12 N ATOM 211 NH2 ARG A 60 -8.840 15.143 -10.748 1.00 65.34 N ATOM 0 H ARG A 60 -10.807 18.230 -5.132 1.00 23.34 H new ATOM 0 HA ARG A 60 -13.638 18.299 -5.804 1.00 2.50 H new ATOM 0 HB2 ARG A 60 -11.911 15.856 -5.343 1.00 11.21 H new ATOM 0 HB3 ARG A 60 -13.343 16.001 -6.343 1.00 11.21 H new ATOM 0 HG2 ARG A 60 -12.125 17.410 -7.947 1.00 51.13 H new ATOM 0 HG3 ARG A 60 -10.701 17.390 -6.925 1.00 51.13 H new ATOM 0 HD2 ARG A 60 -10.557 14.916 -7.175 1.00 72.50 H new ATOM 0 HD3 ARG A 60 -11.980 14.936 -8.197 1.00 72.50 H new ATOM 0 HE ARG A 60 -10.205 16.732 -9.408 1.00 3.43 H new ATOM 0 HH11 ARG A 60 -10.211 13.329 -8.469 1.00 40.12 H new ATOM 0 HH12 ARG A 60 -9.112 12.849 -9.766 1.00 40.12 H new ATOM 0 HH21 ARG A 60 -8.795 16.109 -11.072 1.00 65.34 H new ATOM 0 HH22 ARG A 60 -8.314 14.417 -11.234 1.00 65.34 H new ATOM 225 N ILE A 61 -12.646 17.739 -2.835 1.00 31.04 N ATOM 226 CA ILE A 61 -13.054 17.432 -1.469 1.00 74.24 C ATOM 227 C ILE A 61 -14.441 17.992 -1.171 1.00 3.50 C ATOM 228 O ILE A 61 -15.189 17.433 -0.369 1.00 75.40 O ATOM 229 CB ILE A 61 -12.054 17.994 -0.443 1.00 24.25 C ATOM 230 CG1 ILE A 61 -12.150 19.520 -0.386 1.00 71.22 C ATOM 231 CG2 ILE A 61 -10.638 17.560 -0.791 1.00 24.35 C ATOM 232 CD1 ILE A 61 -11.186 20.150 0.594 1.00 13.53 C ATOM 0 H ILE A 61 -11.752 18.224 -2.909 1.00 31.04 H new ATOM 0 HA ILE A 61 -13.077 16.346 -1.383 1.00 74.24 H new ATOM 0 HB ILE A 61 -12.304 17.596 0.541 1.00 24.25 H new ATOM 0 HG12 ILE A 61 -11.961 19.925 -1.380 1.00 71.22 H new ATOM 0 HG13 ILE A 61 -13.167 19.802 -0.115 1.00 71.22 H new ATOM 0 HG21 ILE A 61 -9.942 17.965 -0.056 1.00 24.35 H new ATOM 0 HG22 ILE A 61 -10.579 16.472 -0.785 1.00 24.35 H new ATOM 0 HG23 ILE A 61 -10.377 17.932 -1.782 1.00 24.35 H new ATOM 0 HD11 ILE A 61 -11.310 21.233 0.581 1.00 13.53 H new ATOM 0 HD12 ILE A 61 -11.388 19.773 1.597 1.00 13.53 H new ATOM 0 HD13 ILE A 61 -10.164 19.898 0.312 1.00 13.53 H new ATOM 244 N LEU A 62 -14.777 19.100 -1.822 1.00 55.23 N ATOM 245 CA LEU A 62 -16.076 19.737 -1.629 1.00 23.23 C ATOM 246 C LEU A 62 -17.108 19.176 -2.602 1.00 3.11 C ATOM 247 O LEU A 62 -18.312 19.355 -2.418 1.00 11.30 O ATOM 248 CB LEU A 62 -15.956 21.251 -1.811 1.00 64.22 C ATOM 249 CG LEU A 62 -15.182 21.999 -0.725 1.00 20.43 C ATOM 250 CD1 LEU A 62 -15.153 23.490 -1.021 1.00 25.11 C ATOM 251 CD2 LEU A 62 -15.795 21.737 0.643 1.00 35.40 C ATOM 0 H LEU A 62 -14.169 19.576 -2.488 1.00 55.23 H new ATOM 0 HA LEU A 62 -16.409 19.525 -0.613 1.00 23.23 H new ATOM 0 HB2 LEU A 62 -15.475 21.444 -2.770 1.00 64.22 H new ATOM 0 HB3 LEU A 62 -16.960 21.671 -1.867 1.00 64.22 H new ATOM 0 HG LEU A 62 -14.156 21.631 -0.718 1.00 20.43 H new ATOM 0 HD11 LEU A 62 -14.598 24.006 -0.237 1.00 25.11 H new ATOM 0 HD12 LEU A 62 -14.668 23.661 -1.982 1.00 25.11 H new ATOM 0 HD13 LEU A 62 -16.173 23.874 -1.056 1.00 25.11 H new ATOM 0 HD21 LEU A 62 -15.231 22.277 1.404 1.00 35.40 H new ATOM 0 HD22 LEU A 62 -16.831 22.077 0.649 1.00 35.40 H new ATOM 0 HD23 LEU A 62 -15.763 20.669 0.858 1.00 35.40 H new ATOM 263 N CYS A 63 -16.628 18.495 -3.637 1.00 32.40 N ATOM 264 CA CYS A 63 -17.508 17.905 -4.639 1.00 11.31 C ATOM 265 C CYS A 63 -17.871 16.471 -4.267 1.00 74.55 C ATOM 266 O CYS A 63 -19.034 16.160 -4.011 1.00 13.52 O ATOM 267 CB CYS A 63 -16.840 17.934 -6.015 1.00 22.11 C ATOM 268 SG CYS A 63 -17.975 18.325 -7.385 1.00 11.01 S ATOM 0 H CYS A 63 -15.634 18.338 -3.804 1.00 32.40 H new ATOM 0 HA CYS A 63 -18.424 18.495 -4.675 1.00 11.31 H new ATOM 0 HB2 CYS A 63 -16.037 18.671 -6.001 1.00 22.11 H new ATOM 0 HB3 CYS A 63 -16.380 16.964 -6.204 1.00 22.11 H new ATOM 273 N ALA A 64 -16.868 15.600 -4.241 1.00 63.20 N ATOM 274 CA ALA A 64 -17.080 14.199 -3.899 1.00 14.01 C ATOM 275 C ALA A 64 -17.849 14.064 -2.589 1.00 1.43 C ATOM 276 O ALA A 64 -18.851 13.351 -2.515 1.00 3.40 O ATOM 277 CB ALA A 64 -15.748 13.469 -3.809 1.00 53.50 C ATOM 0 H ALA A 64 -15.900 15.840 -4.453 1.00 63.20 H new ATOM 0 HA ALA A 64 -17.677 13.745 -4.689 1.00 14.01 H new ATOM 0 HB1 ALA A 64 -15.922 12.424 -3.553 1.00 53.50 H new ATOM 0 HB2 ALA A 64 -15.236 13.527 -4.769 1.00 53.50 H new ATOM 0 HB3 ALA A 64 -15.130 13.933 -3.040 1.00 53.50 H new ATOM 283 N LEU A 65 -17.374 14.753 -1.556 1.00 60.45 N ATOM 284 CA LEU A 65 -18.016 14.709 -0.247 1.00 55.45 C ATOM 285 C LEU A 65 -17.922 13.313 0.360 1.00 44.41 C ATOM 286 O LEU A 65 -18.704 12.953 1.239 1.00 44.24 O ATOM 287 CB LEU A 65 -19.483 15.129 -0.363 1.00 41.12 C ATOM 288 CG LEU A 65 -19.863 16.437 0.331 1.00 15.21 C ATOM 289 CD1 LEU A 65 -19.156 17.614 -0.322 1.00 63.14 C ATOM 290 CD2 LEU A 65 -21.372 16.637 0.303 1.00 62.04 C ATOM 0 H LEU A 65 -16.547 15.348 -1.600 1.00 60.45 H new ATOM 0 HA LEU A 65 -17.495 15.406 0.409 1.00 55.45 H new ATOM 0 HB2 LEU A 65 -19.733 15.216 -1.420 1.00 41.12 H new ATOM 0 HB3 LEU A 65 -20.102 14.331 0.046 1.00 41.12 H new ATOM 0 HG LEU A 65 -19.543 16.379 1.371 1.00 15.21 H new ATOM 0 HD11 LEU A 65 -19.439 18.536 0.186 1.00 63.14 H new ATOM 0 HD12 LEU A 65 -18.077 17.476 -0.249 1.00 63.14 H new ATOM 0 HD13 LEU A 65 -19.444 17.675 -1.372 1.00 63.14 H new ATOM 0 HD21 LEU A 65 -21.624 17.573 0.801 1.00 62.04 H new ATOM 0 HD22 LEU A 65 -21.715 16.673 -0.731 1.00 62.04 H new ATOM 0 HD23 LEU A 65 -21.858 15.809 0.818 1.00 62.04 H new ATOM 302 N GLY A 66 -16.956 12.532 -0.114 1.00 21.32 N ATOM 303 CA GLY A 66 -16.775 11.185 0.395 1.00 20.15 C ATOM 304 C GLY A 66 -15.649 10.448 -0.302 1.00 21.31 C ATOM 305 O GLY A 66 -14.842 9.780 0.344 1.00 11.44 O ATOM 0 H GLY A 66 -16.296 12.808 -0.841 1.00 21.32 H new ATOM 0 HA2 GLY A 66 -16.569 11.229 1.464 1.00 20.15 H new ATOM 0 HA3 GLY A 66 -17.702 10.626 0.272 1.00 20.15 H new ATOM 309 N GLU A 67 -15.595 10.567 -1.625 1.00 14.21 N ATOM 310 CA GLU A 67 -14.561 9.904 -2.410 1.00 21.12 C ATOM 311 C GLU A 67 -13.197 10.542 -2.162 1.00 50.12 C ATOM 312 O GLU A 67 -12.163 9.877 -2.244 1.00 75.04 O ATOM 313 CB GLU A 67 -14.902 9.966 -3.900 1.00 70.32 C ATOM 314 CG GLU A 67 -15.509 8.682 -4.439 1.00 75.52 C ATOM 315 CD GLU A 67 -15.931 8.800 -5.891 1.00 13.21 C ATOM 316 OE1 GLU A 67 -16.602 9.796 -6.234 1.00 10.54 O ATOM 317 OE2 GLU A 67 -15.591 7.898 -6.684 1.00 33.52 O ATOM 0 H GLU A 67 -16.255 11.116 -2.175 1.00 14.21 H new ATOM 0 HA GLU A 67 -14.517 8.860 -2.098 1.00 21.12 H new ATOM 0 HB2 GLU A 67 -15.598 10.787 -4.071 1.00 70.32 H new ATOM 0 HB3 GLU A 67 -13.996 10.194 -4.462 1.00 70.32 H new ATOM 0 HG2 GLU A 67 -14.785 7.873 -4.340 1.00 75.52 H new ATOM 0 HG3 GLU A 67 -16.374 8.412 -3.834 1.00 75.52 H new ATOM 324 N LEU A 68 -13.202 11.835 -1.859 1.00 50.53 N ATOM 325 CA LEU A 68 -11.966 12.565 -1.600 1.00 2.31 C ATOM 326 C LEU A 68 -11.574 12.468 -0.129 1.00 33.21 C ATOM 327 O LEU A 68 -10.406 12.628 0.225 1.00 51.42 O ATOM 328 CB LEU A 68 -12.123 14.033 -2.001 1.00 71.03 C ATOM 329 CG LEU A 68 -11.036 14.599 -2.916 1.00 20.13 C ATOM 330 CD1 LEU A 68 -9.699 14.641 -2.192 1.00 41.34 C ATOM 331 CD2 LEU A 68 -10.929 13.775 -4.190 1.00 60.34 C ATOM 0 H LEU A 68 -14.048 12.400 -1.787 1.00 50.53 H new ATOM 0 HA LEU A 68 -11.175 12.114 -2.199 1.00 2.31 H new ATOM 0 HB2 LEU A 68 -13.086 14.152 -2.497 1.00 71.03 H new ATOM 0 HB3 LEU A 68 -12.156 14.635 -1.093 1.00 71.03 H new ATOM 0 HG LEU A 68 -11.311 15.618 -3.189 1.00 20.13 H new ATOM 0 HD11 LEU A 68 -8.937 15.046 -2.858 1.00 41.34 H new ATOM 0 HD12 LEU A 68 -9.783 15.274 -1.309 1.00 41.34 H new ATOM 0 HD13 LEU A 68 -9.417 13.632 -1.890 1.00 41.34 H new ATOM 0 HD21 LEU A 68 -10.151 14.192 -4.829 1.00 60.34 H new ATOM 0 HD22 LEU A 68 -10.677 12.745 -3.937 1.00 60.34 H new ATOM 0 HD23 LEU A 68 -11.882 13.796 -4.718 1.00 60.34 H new ATOM 343 N ASP A 69 -12.558 12.202 0.723 1.00 31.32 N ATOM 344 CA ASP A 69 -12.316 12.079 2.156 1.00 12.11 C ATOM 345 C ASP A 69 -11.320 10.961 2.445 1.00 22.33 C ATOM 346 O ASP A 69 -10.717 10.914 3.518 1.00 63.54 O ATOM 347 CB ASP A 69 -13.629 11.814 2.896 1.00 65.34 C ATOM 348 CG ASP A 69 -14.366 13.092 3.243 1.00 73.24 C ATOM 349 OD1 ASP A 69 -13.839 13.879 4.056 1.00 22.41 O ATOM 350 OD2 ASP A 69 -15.472 13.305 2.701 1.00 24.03 O ATOM 0 H ASP A 69 -13.531 12.067 0.446 1.00 31.32 H new ATOM 0 HA ASP A 69 -11.892 13.019 2.510 1.00 12.11 H new ATOM 0 HB2 ASP A 69 -14.270 11.185 2.279 1.00 65.34 H new ATOM 0 HB3 ASP A 69 -13.422 11.258 3.810 1.00 65.34 H new ATOM 355 N LYS A 70 -11.152 10.061 1.482 1.00 35.22 N ATOM 356 CA LYS A 70 -10.230 8.942 1.632 1.00 65.02 C ATOM 357 C LYS A 70 -8.810 9.353 1.253 1.00 12.14 C ATOM 358 O LYS A 70 -7.873 8.562 1.367 1.00 4.43 O ATOM 359 CB LYS A 70 -10.679 7.764 0.765 1.00 61.14 C ATOM 360 CG LYS A 70 -11.064 6.532 1.565 1.00 62.43 C ATOM 361 CD LYS A 70 -11.481 5.386 0.658 1.00 35.01 C ATOM 362 CE LYS A 70 -12.525 4.501 1.323 1.00 63.02 C ATOM 363 NZ LYS A 70 -11.978 3.802 2.519 1.00 73.34 N ATOM 0 H LYS A 70 -11.643 10.085 0.588 1.00 35.22 H new ATOM 0 HA LYS A 70 -10.235 8.637 2.679 1.00 65.02 H new ATOM 0 HB2 LYS A 70 -11.530 8.074 0.159 1.00 61.14 H new ATOM 0 HB3 LYS A 70 -9.875 7.503 0.077 1.00 61.14 H new ATOM 0 HG2 LYS A 70 -10.222 6.220 2.183 1.00 62.43 H new ATOM 0 HG3 LYS A 70 -11.882 6.778 2.242 1.00 62.43 H new ATOM 0 HD2 LYS A 70 -11.881 5.785 -0.274 1.00 35.01 H new ATOM 0 HD3 LYS A 70 -10.607 4.788 0.400 1.00 35.01 H new ATOM 0 HE2 LYS A 70 -13.382 5.108 1.617 1.00 63.02 H new ATOM 0 HE3 LYS A 70 -12.887 3.764 0.606 1.00 63.02 H new ATOM 0 HZ1 LYS A 70 -12.719 3.209 2.944 1.00 73.34 H new ATOM 0 HZ2 LYS A 70 -11.176 3.203 2.235 1.00 73.34 H new ATOM 0 HZ3 LYS A 70 -11.656 4.505 3.215 1.00 73.34 H new ATOM 377 N LEU A 71 -8.659 10.594 0.804 1.00 4.14 N ATOM 378 CA LEU A 71 -7.353 11.111 0.411 1.00 44.14 C ATOM 379 C LEU A 71 -6.970 12.324 1.253 1.00 55.11 C ATOM 380 O LEU A 71 -5.925 12.337 1.903 1.00 13.22 O ATOM 381 CB LEU A 71 -7.357 11.487 -1.072 1.00 63.53 C ATOM 382 CG LEU A 71 -6.154 12.293 -1.564 1.00 12.01 C ATOM 383 CD1 LEU A 71 -5.830 11.942 -3.008 1.00 13.23 C ATOM 384 CD2 LEU A 71 -6.419 13.785 -1.422 1.00 64.10 C ATOM 0 H LEU A 71 -9.424 11.261 0.703 1.00 4.14 H new ATOM 0 HA LEU A 71 -6.614 10.327 0.580 1.00 44.14 H new ATOM 0 HB2 LEU A 71 -7.419 10.570 -1.658 1.00 63.53 H new ATOM 0 HB3 LEU A 71 -8.261 12.059 -1.279 1.00 63.53 H new ATOM 0 HG LEU A 71 -5.292 12.037 -0.948 1.00 12.01 H new ATOM 0 HD11 LEU A 71 -4.971 12.525 -3.340 1.00 13.23 H new ATOM 0 HD12 LEU A 71 -5.597 10.880 -3.081 1.00 13.23 H new ATOM 0 HD13 LEU A 71 -6.689 12.169 -3.639 1.00 13.23 H new ATOM 0 HD21 LEU A 71 -5.553 14.344 -1.777 1.00 64.10 H new ATOM 0 HD22 LEU A 71 -7.293 14.057 -2.013 1.00 64.10 H new ATOM 0 HD23 LEU A 71 -6.601 14.024 -0.374 1.00 64.10 H new ATOM 396 N VAL A 72 -7.826 13.342 1.238 1.00 63.40 N ATOM 397 CA VAL A 72 -7.580 14.558 2.003 1.00 42.21 C ATOM 398 C VAL A 72 -7.447 14.254 3.491 1.00 45.31 C ATOM 399 O VAL A 72 -6.902 15.053 4.253 1.00 1.30 O ATOM 400 CB VAL A 72 -8.708 15.587 1.799 1.00 21.13 C ATOM 401 CG1 VAL A 72 -10.014 15.070 2.383 1.00 1.01 C ATOM 402 CG2 VAL A 72 -8.329 16.923 2.420 1.00 24.11 C ATOM 0 H VAL A 72 -8.695 13.348 0.704 1.00 63.40 H new ATOM 0 HA VAL A 72 -6.644 14.979 1.636 1.00 42.21 H new ATOM 0 HB VAL A 72 -8.850 15.737 0.729 1.00 21.13 H new ATOM 0 HG11 VAL A 72 -10.799 15.810 2.230 1.00 1.01 H new ATOM 0 HG12 VAL A 72 -10.291 14.139 1.888 1.00 1.01 H new ATOM 0 HG13 VAL A 72 -9.889 14.890 3.451 1.00 1.01 H new ATOM 0 HG21 VAL A 72 -9.137 17.638 2.266 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -8.158 16.792 3.489 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -7.419 17.297 1.951 1.00 24.11 H new ATOM 412 N LYS A 73 -7.947 13.093 3.899 1.00 12.21 N ATOM 413 CA LYS A 73 -7.883 12.681 5.296 1.00 33.31 C ATOM 414 C LYS A 73 -6.709 11.736 5.531 1.00 32.23 C ATOM 415 O LYS A 73 -5.866 11.981 6.395 1.00 74.23 O ATOM 416 CB LYS A 73 -9.190 12.000 5.708 1.00 33.44 C ATOM 417 CG LYS A 73 -9.352 11.853 7.212 1.00 52.44 C ATOM 418 CD LYS A 73 -10.766 11.440 7.583 1.00 75.05 C ATOM 419 CE LYS A 73 -10.770 10.394 8.687 1.00 42.11 C ATOM 420 NZ LYS A 73 -12.143 9.891 8.970 1.00 4.13 N ATOM 0 H LYS A 73 -8.401 12.420 3.282 1.00 12.21 H new ATOM 0 HA LYS A 73 -7.737 13.573 5.906 1.00 33.31 H new ATOM 0 HB2 LYS A 73 -10.029 12.575 5.315 1.00 33.44 H new ATOM 0 HB3 LYS A 73 -9.236 11.013 5.248 1.00 33.44 H new ATOM 0 HG2 LYS A 73 -8.646 11.111 7.584 1.00 52.44 H new ATOM 0 HG3 LYS A 73 -9.108 12.797 7.699 1.00 52.44 H new ATOM 0 HD2 LYS A 73 -11.328 12.315 7.908 1.00 75.05 H new ATOM 0 HD3 LYS A 73 -11.273 11.044 6.703 1.00 75.05 H new ATOM 0 HE2 LYS A 73 -10.130 9.560 8.399 1.00 42.11 H new ATOM 0 HE3 LYS A 73 -10.346 10.823 9.595 1.00 42.11 H new ATOM 0 HZ1 LYS A 73 -12.103 9.180 9.728 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 -12.748 10.682 9.269 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 -12.538 9.459 8.111 1.00 4.13 H new ATOM 434 N ASP A 74 -6.660 10.657 4.758 1.00 43.24 N ATOM 435 CA ASP A 74 -5.587 9.677 4.880 1.00 31.22 C ATOM 436 C ASP A 74 -4.248 10.283 4.472 1.00 61.43 C ATOM 437 O ASP A 74 -3.319 10.356 5.275 1.00 22.42 O ATOM 438 CB ASP A 74 -5.889 8.449 4.020 1.00 21.30 C ATOM 439 CG ASP A 74 -5.161 7.210 4.504 1.00 72.11 C ATOM 440 OD1 ASP A 74 -4.089 7.357 5.127 1.00 51.52 O ATOM 441 OD2 ASP A 74 -5.663 6.093 4.259 1.00 72.30 O ATOM 0 H ASP A 74 -7.351 10.439 4.040 1.00 43.24 H new ATOM 0 HA ASP A 74 -5.524 9.372 5.925 1.00 31.22 H new ATOM 0 HB2 ASP A 74 -6.963 8.261 4.024 1.00 21.30 H new ATOM 0 HB3 ASP A 74 -5.605 8.653 2.988 1.00 21.30 H new ATOM 446 N GLN A 75 -4.157 10.714 3.218 1.00 53.21 N ATOM 447 CA GLN A 75 -2.931 11.312 2.703 1.00 70.21 C ATOM 448 C GLN A 75 -2.434 12.418 3.628 1.00 31.43 C ATOM 449 O GLN A 75 -1.296 12.385 4.094 1.00 4.33 O ATOM 450 CB GLN A 75 -3.162 11.871 1.298 1.00 12.52 C ATOM 451 CG GLN A 75 -1.914 11.873 0.431 1.00 4.40 C ATOM 452 CD GLN A 75 -1.665 10.536 -0.237 1.00 72.43 C ATOM 453 OE1 GLN A 75 -2.684 10.011 -0.908 1.00 61.45 O flip ATOM 454 NE2 GLN A 75 -0.570 9.980 -0.151 1.00 63.53 N flip ATOM 0 H GLN A 75 -4.917 10.660 2.540 1.00 53.21 H new ATOM 0 HA GLN A 75 -2.169 10.534 2.656 1.00 70.21 H new ATOM 0 HB2 GLN A 75 -3.936 11.283 0.805 1.00 12.52 H new ATOM 0 HB3 GLN A 75 -3.539 12.890 1.379 1.00 12.52 H new ATOM 0 HG2 GLN A 75 -2.008 12.645 -0.333 1.00 4.40 H new ATOM 0 HG3 GLN A 75 -1.051 12.135 1.043 1.00 4.40 H new ATOM 0 HE21 GLN A 75 0.185 10.420 0.375 1.00 63.53 H new ATOM 0 HE22 GLN A 75 -0.418 9.080 -0.606 1.00 63.53 H new ATOM 463 N ALA A 76 -3.295 13.395 3.890 1.00 55.33 N ATOM 464 CA ALA A 76 -2.944 14.510 4.761 1.00 54.14 C ATOM 465 C ALA A 76 -2.507 14.016 6.135 1.00 11.25 C ATOM 466 O ALA A 76 -1.785 14.707 6.853 1.00 41.14 O ATOM 467 CB ALA A 76 -4.119 15.468 4.891 1.00 51.31 C ATOM 0 H ALA A 76 -4.241 13.437 3.511 1.00 55.33 H new ATOM 0 HA ALA A 76 -2.105 15.041 4.311 1.00 54.14 H new ATOM 0 HB1 ALA A 76 -3.843 16.296 5.544 1.00 51.31 H new ATOM 0 HB2 ALA A 76 -4.384 15.855 3.907 1.00 51.31 H new ATOM 0 HB3 ALA A 76 -4.973 14.940 5.315 1.00 51.31 H new ATOM 473 N ASN A 77 -2.950 12.816 6.497 1.00 55.43 N ATOM 474 CA ASN A 77 -2.605 12.231 7.787 1.00 74.30 C ATOM 475 C ASN A 77 -1.613 11.084 7.616 1.00 12.42 C ATOM 476 O ASN A 77 -1.447 10.256 8.511 1.00 63.35 O ATOM 477 CB ASN A 77 -3.865 11.729 8.496 1.00 60.53 C ATOM 478 CG ASN A 77 -4.824 12.853 8.836 1.00 21.13 C ATOM 479 OD1 ASN A 77 -4.578 14.014 8.509 1.00 22.05 O ATOM 480 ND2 ASN A 77 -5.924 12.512 9.497 1.00 73.00 N ATOM 0 H ASN A 77 -3.549 12.230 5.915 1.00 55.43 H new ATOM 0 HA ASN A 77 -2.137 13.005 8.396 1.00 74.30 H new ATOM 0 HB2 ASN A 77 -4.371 11.003 7.860 1.00 60.53 H new ATOM 0 HB3 ASN A 77 -3.581 11.208 9.411 1.00 60.53 H new ATOM 0 HD21 ASN A 77 -6.606 13.225 9.754 1.00 73.00 H new ATOM 0 HD22 ASN A 77 -6.087 11.537 9.748 1.00 73.00 H new ATOM 487 N ALA A 78 -0.956 11.045 6.461 1.00 34.35 N ATOM 488 CA ALA A 78 0.021 10.002 6.174 1.00 1.42 C ATOM 489 C ALA A 78 1.323 10.600 5.652 1.00 63.11 C ATOM 490 O ALA A 78 2.252 9.875 5.297 1.00 10.13 O ATOM 491 CB ALA A 78 -0.546 9.009 5.171 1.00 41.23 C ATOM 0 H ALA A 78 -1.083 11.723 5.710 1.00 34.35 H new ATOM 0 HA ALA A 78 0.240 9.477 7.104 1.00 1.42 H new ATOM 0 HB1 ALA A 78 0.194 8.236 4.966 1.00 41.23 H new ATOM 0 HB2 ALA A 78 -1.445 8.550 5.582 1.00 41.23 H new ATOM 0 HB3 ALA A 78 -0.794 9.528 4.245 1.00 41.23 H new ATOM 497 N GLY A 79 1.384 11.927 5.607 1.00 51.43 N ATOM 498 CA GLY A 79 2.577 12.600 5.125 1.00 34.43 C ATOM 499 C GLY A 79 2.405 13.153 3.725 1.00 52.22 C ATOM 500 O GLY A 79 2.757 12.498 2.745 1.00 73.44 O ATOM 0 H GLY A 79 0.629 12.549 5.896 1.00 51.43 H new ATOM 0 HA2 GLY A 79 2.831 13.413 5.805 1.00 34.43 H new ATOM 0 HA3 GLY A 79 3.414 11.902 5.136 1.00 34.43 H new ATOM 504 N GLN A 80 1.861 14.362 3.631 1.00 40.34 N ATOM 505 CA GLN A 80 1.641 15.002 2.339 1.00 42.11 C ATOM 506 C GLN A 80 2.960 15.471 1.732 1.00 14.14 C ATOM 507 O GLN A 80 3.278 16.660 1.760 1.00 34.43 O ATOM 508 CB GLN A 80 0.685 16.187 2.489 1.00 61.31 C ATOM 509 CG GLN A 80 1.095 17.165 3.578 1.00 40.34 C ATOM 510 CD GLN A 80 0.382 16.910 4.891 1.00 73.23 C ATOM 511 OE1 GLN A 80 1.005 16.547 5.889 1.00 60.24 O ATOM 512 NE2 GLN A 80 -0.933 17.099 4.897 1.00 23.22 N ATOM 0 H GLN A 80 1.565 14.918 4.433 1.00 40.34 H new ATOM 0 HA GLN A 80 1.195 14.267 1.669 1.00 42.11 H new ATOM 0 HB2 GLN A 80 0.626 16.718 1.539 1.00 61.31 H new ATOM 0 HB3 GLN A 80 -0.315 15.811 2.707 1.00 61.31 H new ATOM 0 HG2 GLN A 80 2.172 17.098 3.735 1.00 40.34 H new ATOM 0 HG3 GLN A 80 0.884 18.182 3.246 1.00 40.34 H new ATOM 0 HE21 GLN A 80 -1.409 17.400 4.047 1.00 23.22 H new ATOM 0 HE22 GLN A 80 -1.467 16.943 5.752 1.00 23.22 H new ATOM 521 N GLN A 81 3.722 14.530 1.186 1.00 72.44 N ATOM 522 CA GLN A 81 5.006 14.847 0.573 1.00 4.54 C ATOM 523 C GLN A 81 4.826 15.272 -0.880 1.00 44.22 C ATOM 524 O GLN A 81 5.722 15.870 -1.477 1.00 35.50 O ATOM 525 CB GLN A 81 5.945 13.642 0.653 1.00 41.35 C ATOM 526 CG GLN A 81 7.254 13.840 -0.095 1.00 53.25 C ATOM 527 CD GLN A 81 8.056 15.014 0.432 1.00 33.40 C ATOM 528 OE1 GLN A 81 8.198 15.189 1.642 1.00 23.15 O ATOM 529 NE2 GLN A 81 8.585 15.825 -0.476 1.00 0.10 N ATOM 0 H GLN A 81 3.473 13.541 1.155 1.00 72.44 H new ATOM 0 HA GLN A 81 5.447 15.679 1.123 1.00 4.54 H new ATOM 0 HB2 GLN A 81 6.163 13.430 1.700 1.00 41.35 H new ATOM 0 HB3 GLN A 81 5.435 12.767 0.250 1.00 41.35 H new ATOM 0 HG2 GLN A 81 7.853 12.932 -0.018 1.00 53.25 H new ATOM 0 HG3 GLN A 81 7.043 13.995 -1.153 1.00 53.25 H new ATOM 0 HE21 GLN A 81 8.442 15.641 -1.469 1.00 0.10 H new ATOM 0 HE22 GLN A 81 9.135 16.632 -0.181 1.00 0.10 H new ATOM 538 N GLU A 82 3.664 14.959 -1.444 1.00 14.35 N ATOM 539 CA GLU A 82 3.368 15.308 -2.828 1.00 51.11 C ATOM 540 C GLU A 82 3.164 16.813 -2.978 1.00 62.15 C ATOM 541 O GLU A 82 4.035 17.521 -3.485 1.00 74.14 O ATOM 542 CB GLU A 82 2.121 14.563 -3.310 1.00 64.00 C ATOM 543 CG GLU A 82 2.266 13.051 -3.279 1.00 20.34 C ATOM 544 CD GLU A 82 3.639 12.587 -3.724 1.00 61.44 C ATOM 545 OE1 GLU A 82 4.126 13.086 -4.761 1.00 32.24 O ATOM 546 OE2 GLU A 82 4.226 11.725 -3.038 1.00 25.30 O ATOM 0 H GLU A 82 2.912 14.464 -0.964 1.00 14.35 H new ATOM 0 HA GLU A 82 4.219 15.011 -3.440 1.00 51.11 H new ATOM 0 HB2 GLU A 82 1.273 14.851 -2.689 1.00 64.00 H new ATOM 0 HB3 GLU A 82 1.891 14.877 -4.328 1.00 64.00 H new ATOM 0 HG2 GLU A 82 2.076 12.692 -2.267 1.00 20.34 H new ATOM 0 HG3 GLU A 82 1.509 12.604 -3.923 1.00 20.34 H new ATOM 553 N PHE A 83 2.008 17.295 -2.535 1.00 30.32 N ATOM 554 CA PHE A 83 1.688 18.715 -2.621 1.00 21.11 C ATOM 555 C PHE A 83 2.012 19.426 -1.310 1.00 73.31 C ATOM 556 O PHE A 83 1.819 18.874 -0.227 1.00 22.54 O ATOM 557 CB PHE A 83 0.210 18.906 -2.967 1.00 11.35 C ATOM 558 CG PHE A 83 -0.717 18.604 -1.824 1.00 1.42 C ATOM 559 CD1 PHE A 83 -1.024 19.579 -0.888 1.00 34.52 C ATOM 560 CD2 PHE A 83 -1.280 17.346 -1.685 1.00 52.04 C ATOM 561 CE1 PHE A 83 -1.877 19.304 0.165 1.00 52.12 C ATOM 562 CE2 PHE A 83 -2.134 17.066 -0.635 1.00 60.12 C ATOM 563 CZ PHE A 83 -2.432 18.046 0.292 1.00 61.33 C ATOM 0 H PHE A 83 1.277 16.723 -2.113 1.00 30.32 H new ATOM 0 HA PHE A 83 2.298 19.153 -3.411 1.00 21.11 H new ATOM 0 HB2 PHE A 83 0.051 19.934 -3.291 1.00 11.35 H new ATOM 0 HB3 PHE A 83 -0.044 18.263 -3.810 1.00 11.35 H new ATOM 0 HD1 PHE A 83 -0.592 20.564 -0.982 1.00 34.52 H new ATOM 0 HD2 PHE A 83 -1.049 16.575 -2.405 1.00 52.04 H new ATOM 0 HE1 PHE A 83 -2.109 20.072 0.888 1.00 52.12 H new ATOM 0 HE2 PHE A 83 -2.568 16.082 -0.539 1.00 60.12 H new ATOM 0 HZ PHE A 83 -3.098 17.829 1.114 1.00 61.33 H new ATOM 573 N LYS A 84 2.505 20.655 -1.417 1.00 23.32 N ATOM 574 CA LYS A 84 2.856 21.444 -0.242 1.00 31.43 C ATOM 575 C LYS A 84 2.020 22.717 -0.172 1.00 54.42 C ATOM 576 O LYS A 84 1.974 23.387 0.861 1.00 61.22 O ATOM 577 CB LYS A 84 4.344 21.799 -0.266 1.00 63.20 C ATOM 578 CG LYS A 84 5.231 20.671 -0.766 1.00 54.20 C ATOM 579 CD LYS A 84 5.428 20.742 -2.271 1.00 11.50 C ATOM 580 CE LYS A 84 6.657 21.562 -2.634 1.00 31.22 C ATOM 581 NZ LYS A 84 7.898 20.739 -2.614 1.00 72.22 N ATOM 0 H LYS A 84 2.671 21.127 -2.306 1.00 23.32 H new ATOM 0 HA LYS A 84 2.647 20.844 0.643 1.00 31.43 H new ATOM 0 HB2 LYS A 84 4.490 22.673 -0.900 1.00 63.20 H new ATOM 0 HB3 LYS A 84 4.658 22.079 0.739 1.00 63.20 H new ATOM 0 HG2 LYS A 84 6.200 20.721 -0.269 1.00 54.20 H new ATOM 0 HG3 LYS A 84 4.786 19.712 -0.501 1.00 54.20 H new ATOM 0 HD2 LYS A 84 5.530 19.734 -2.674 1.00 11.50 H new ATOM 0 HD3 LYS A 84 4.545 21.183 -2.734 1.00 11.50 H new ATOM 0 HE2 LYS A 84 6.525 21.996 -3.625 1.00 31.22 H new ATOM 0 HE3 LYS A 84 6.760 22.392 -1.934 1.00 31.22 H new ATOM 0 HZ1 LYS A 84 8.713 21.334 -2.867 1.00 72.22 H new ATOM 0 HZ2 LYS A 84 8.038 20.346 -1.662 1.00 72.22 H new ATOM 0 HZ3 LYS A 84 7.810 19.962 -3.300 1.00 72.22 H new ATOM 595 N LEU A 85 1.358 23.046 -1.276 1.00 42.23 N ATOM 596 CA LEU A 85 0.521 24.240 -1.340 1.00 64.51 C ATOM 597 C LEU A 85 -0.734 24.070 -0.491 1.00 12.23 C ATOM 598 O LEU A 85 -1.177 22.957 -0.209 1.00 75.43 O ATOM 599 CB LEU A 85 0.134 24.538 -2.790 1.00 30.25 C ATOM 600 CG LEU A 85 -1.176 23.917 -3.275 1.00 52.05 C ATOM 601 CD1 LEU A 85 -1.473 24.347 -4.704 1.00 13.24 C ATOM 602 CD2 LEU A 85 -1.117 22.400 -3.175 1.00 30.21 C ATOM 0 H LEU A 85 1.384 22.503 -2.139 1.00 42.23 H new ATOM 0 HA LEU A 85 1.094 25.078 -0.944 1.00 64.51 H new ATOM 0 HB2 LEU A 85 0.068 25.619 -2.913 1.00 30.25 H new ATOM 0 HB3 LEU A 85 0.939 24.192 -3.438 1.00 30.25 H new ATOM 0 HG LEU A 85 -1.983 24.272 -2.634 1.00 52.05 H new ATOM 0 HD11 LEU A 85 -2.409 23.896 -5.033 1.00 13.24 H new ATOM 0 HD12 LEU A 85 -1.559 25.433 -4.747 1.00 13.24 H new ATOM 0 HD13 LEU A 85 -0.664 24.021 -5.358 1.00 13.24 H new ATOM 0 HD21 LEU A 85 -2.058 21.975 -3.524 1.00 30.21 H new ATOM 0 HD22 LEU A 85 -0.299 22.026 -3.791 1.00 30.21 H new ATOM 0 HD23 LEU A 85 -0.951 22.110 -2.137 1.00 30.21 H new ATOM 614 N PRO A 86 -1.323 25.201 -0.073 1.00 75.54 N ATOM 615 CA PRO A 86 -2.538 25.204 0.747 1.00 20.45 C ATOM 616 C PRO A 86 -3.764 24.736 -0.029 1.00 62.53 C ATOM 617 O PRO A 86 -3.659 24.317 -1.182 1.00 63.53 O ATOM 618 CB PRO A 86 -2.690 26.672 1.151 1.00 5.32 C ATOM 619 CG PRO A 86 -1.990 27.434 0.079 1.00 5.02 C ATOM 620 CD PRO A 86 -0.850 26.563 -0.371 1.00 62.42 C ATOM 0 HA PRO A 86 -2.460 24.520 1.592 1.00 20.45 H new ATOM 0 HB2 PRO A 86 -3.740 26.957 1.219 1.00 5.32 H new ATOM 0 HB3 PRO A 86 -2.244 26.862 2.127 1.00 5.32 H new ATOM 0 HG2 PRO A 86 -2.665 27.652 -0.749 1.00 5.02 H new ATOM 0 HG3 PRO A 86 -1.626 28.390 0.454 1.00 5.02 H new ATOM 0 HD2 PRO A 86 -0.640 26.692 -1.433 1.00 62.42 H new ATOM 0 HD3 PRO A 86 0.070 26.795 0.166 1.00 62.42 H new ATOM 628 N LYS A 87 -4.927 24.810 0.609 1.00 62.40 N ATOM 629 CA LYS A 87 -6.174 24.395 -0.022 1.00 53.31 C ATOM 630 C LYS A 87 -6.836 25.567 -0.740 1.00 52.11 C ATOM 631 O LYS A 87 -7.997 25.485 -1.142 1.00 10.41 O ATOM 632 CB LYS A 87 -7.131 23.818 1.023 1.00 32.42 C ATOM 633 CG LYS A 87 -7.416 24.764 2.176 1.00 4.15 C ATOM 634 CD LYS A 87 -6.752 24.294 3.460 1.00 2.41 C ATOM 635 CE LYS A 87 -7.584 23.232 4.161 1.00 30.15 C ATOM 636 NZ LYS A 87 -8.607 23.833 5.061 1.00 10.22 N ATOM 0 H LYS A 87 -5.032 25.154 1.564 1.00 62.40 H new ATOM 0 HA LYS A 87 -5.941 23.625 -0.757 1.00 53.31 H new ATOM 0 HB2 LYS A 87 -8.071 23.557 0.537 1.00 32.42 H new ATOM 0 HB3 LYS A 87 -6.709 22.894 1.418 1.00 32.42 H new ATOM 0 HG2 LYS A 87 -7.059 25.763 1.925 1.00 4.15 H new ATOM 0 HG3 LYS A 87 -8.493 24.839 2.328 1.00 4.15 H new ATOM 0 HD2 LYS A 87 -5.764 23.893 3.234 1.00 2.41 H new ATOM 0 HD3 LYS A 87 -6.607 25.143 4.128 1.00 2.41 H new ATOM 0 HE2 LYS A 87 -8.077 22.607 3.416 1.00 30.15 H new ATOM 0 HE3 LYS A 87 -6.929 22.581 4.740 1.00 30.15 H new ATOM 0 HZ1 LYS A 87 -9.153 23.076 5.520 1.00 10.22 H new ATOM 0 HZ2 LYS A 87 -8.135 24.409 5.787 1.00 10.22 H new ATOM 0 HZ3 LYS A 87 -9.248 24.434 4.505 1.00 10.22 H new ATOM 650 N ASP A 88 -6.091 26.655 -0.899 1.00 65.11 N ATOM 651 CA ASP A 88 -6.604 27.843 -1.571 1.00 75.44 C ATOM 652 C ASP A 88 -7.196 27.484 -2.931 1.00 14.21 C ATOM 653 O ASP A 88 -8.124 28.139 -3.408 1.00 21.52 O ATOM 654 CB ASP A 88 -5.493 28.879 -1.742 1.00 41.15 C ATOM 655 CG ASP A 88 -4.829 29.239 -0.428 1.00 34.13 C ATOM 656 OD1 ASP A 88 -5.419 28.946 0.633 1.00 1.44 O ATOM 657 OD2 ASP A 88 -3.721 29.814 -0.460 1.00 21.32 O ATOM 0 H ASP A 88 -5.129 26.739 -0.571 1.00 65.11 H new ATOM 0 HA ASP A 88 -7.393 28.268 -0.951 1.00 75.44 H new ATOM 0 HB2 ASP A 88 -4.742 28.492 -2.431 1.00 41.15 H new ATOM 0 HB3 ASP A 88 -5.907 29.780 -2.195 1.00 41.15 H new ATOM 662 N PHE A 89 -6.653 26.442 -3.551 1.00 34.43 N ATOM 663 CA PHE A 89 -7.126 25.997 -4.857 1.00 12.24 C ATOM 664 C PHE A 89 -8.246 24.971 -4.709 1.00 65.33 C ATOM 665 O PHE A 89 -8.227 23.918 -5.349 1.00 14.33 O ATOM 666 CB PHE A 89 -5.972 25.398 -5.664 1.00 15.24 C ATOM 667 CG PHE A 89 -6.309 25.166 -7.109 1.00 1.21 C ATOM 668 CD1 PHE A 89 -6.968 26.138 -7.845 1.00 71.40 C ATOM 669 CD2 PHE A 89 -5.966 23.977 -7.732 1.00 4.14 C ATOM 670 CE1 PHE A 89 -7.279 25.926 -9.175 1.00 15.12 C ATOM 671 CE2 PHE A 89 -6.274 23.760 -9.061 1.00 40.14 C ATOM 672 CZ PHE A 89 -6.931 24.737 -9.784 1.00 61.51 C ATOM 0 H PHE A 89 -5.885 25.890 -3.170 1.00 34.43 H new ATOM 0 HA PHE A 89 -7.520 26.864 -5.388 1.00 12.24 H new ATOM 0 HB2 PHE A 89 -5.112 26.064 -5.602 1.00 15.24 H new ATOM 0 HB3 PHE A 89 -5.676 24.452 -5.212 1.00 15.24 H new ATOM 0 HD1 PHE A 89 -7.241 27.071 -7.374 1.00 71.40 H new ATOM 0 HD2 PHE A 89 -5.451 23.210 -7.172 1.00 4.14 H new ATOM 0 HE1 PHE A 89 -7.794 26.690 -9.738 1.00 15.12 H new ATOM 0 HE2 PHE A 89 -6.002 22.828 -9.534 1.00 40.14 H new ATOM 0 HZ PHE A 89 -7.172 24.571 -10.824 1.00 61.51 H new ATOM 682 N THR A 90 -9.220 25.284 -3.861 1.00 51.00 N ATOM 683 CA THR A 90 -10.347 24.390 -3.627 1.00 61.23 C ATOM 684 C THR A 90 -11.630 25.175 -3.382 1.00 73.13 C ATOM 685 O THR A 90 -12.623 24.627 -2.905 1.00 11.21 O ATOM 686 CB THR A 90 -10.088 23.463 -2.425 1.00 32.42 C ATOM 687 OG1 THR A 90 -10.241 24.192 -1.202 1.00 60.10 O ATOM 688 CG2 THR A 90 -8.691 22.865 -2.493 1.00 71.53 C ATOM 0 H THR A 90 -9.251 26.151 -3.324 1.00 51.00 H new ATOM 0 HA THR A 90 -10.462 23.784 -4.526 1.00 61.23 H new ATOM 0 HB THR A 90 -10.815 22.652 -2.458 1.00 32.42 H new ATOM 0 HG1 THR A 90 -9.371 24.546 -0.921 1.00 60.10 H new ATOM 0 HG21 THR A 90 -8.532 22.214 -1.633 1.00 71.53 H new ATOM 0 HG22 THR A 90 -8.587 22.286 -3.411 1.00 71.53 H new ATOM 0 HG23 THR A 90 -7.952 23.666 -2.484 1.00 71.53 H new ATOM 696 N GLY A 91 -11.603 26.463 -3.713 1.00 74.40 N ATOM 697 CA GLY A 91 -12.772 27.302 -3.522 1.00 4.12 C ATOM 698 C GLY A 91 -13.388 27.745 -4.834 1.00 11.22 C ATOM 699 O GLY A 91 -14.525 28.216 -4.865 1.00 73.13 O ATOM 0 H GLY A 91 -10.793 26.940 -4.110 1.00 74.40 H new ATOM 0 HA2 GLY A 91 -13.516 26.757 -2.941 1.00 4.12 H new ATOM 0 HA3 GLY A 91 -12.494 28.180 -2.940 1.00 4.12 H new ATOM 703 N ARG A 92 -12.636 27.596 -5.919 1.00 50.44 N ATOM 704 CA ARG A 92 -13.114 27.988 -7.240 1.00 35.42 C ATOM 705 C ARG A 92 -13.353 26.762 -8.117 1.00 23.11 C ATOM 706 O ARG A 92 -12.433 25.988 -8.383 1.00 10.15 O ATOM 707 CB ARG A 92 -12.109 28.923 -7.914 1.00 24.42 C ATOM 708 CG ARG A 92 -12.754 30.104 -8.620 1.00 65.10 C ATOM 709 CD ARG A 92 -11.879 30.622 -9.751 1.00 2.22 C ATOM 710 NE ARG A 92 -12.671 31.170 -10.849 1.00 21.32 N ATOM 711 CZ ARG A 92 -12.141 31.665 -11.961 1.00 50.44 C ATOM 712 NH1 ARG A 92 -10.825 31.682 -12.123 1.00 31.32 N ATOM 713 NH2 ARG A 92 -12.928 32.146 -12.916 1.00 20.42 N ATOM 0 H ARG A 92 -11.693 27.207 -5.910 1.00 50.44 H new ATOM 0 HA ARG A 92 -14.060 28.514 -7.115 1.00 35.42 H new ATOM 0 HB2 ARG A 92 -11.412 29.296 -7.163 1.00 24.42 H new ATOM 0 HB3 ARG A 92 -11.524 28.354 -8.637 1.00 24.42 H new ATOM 0 HG2 ARG A 92 -13.725 29.806 -9.016 1.00 65.10 H new ATOM 0 HG3 ARG A 92 -12.934 30.904 -7.902 1.00 65.10 H new ATOM 0 HD2 ARG A 92 -11.209 31.392 -9.368 1.00 2.22 H new ATOM 0 HD3 ARG A 92 -11.253 29.812 -10.125 1.00 2.22 H new ATOM 0 HE ARG A 92 -13.687 31.173 -10.756 1.00 21.32 H new ATOM 0 HH11 ARG A 92 -10.216 31.314 -11.392 1.00 31.32 H new ATOM 0 HH12 ARG A 92 -10.421 32.063 -12.979 1.00 31.32 H new ATOM 0 HH21 ARG A 92 -13.941 32.135 -12.796 1.00 20.42 H new ATOM 0 HH22 ARG A 92 -12.520 32.526 -13.770 1.00 20.42 H new ATOM 727 N SER A 93 -14.593 26.592 -8.563 1.00 72.01 N ATOM 728 CA SER A 93 -14.954 25.458 -9.406 1.00 44.35 C ATOM 729 C SER A 93 -16.423 25.528 -9.812 1.00 2.22 C ATOM 730 O SER A 93 -17.233 26.174 -9.147 1.00 21.14 O ATOM 731 CB SER A 93 -14.676 24.143 -8.676 1.00 14.25 C ATOM 732 OG SER A 93 -15.138 24.197 -7.337 1.00 25.04 O ATOM 0 H SER A 93 -15.365 27.225 -8.355 1.00 72.01 H new ATOM 0 HA SER A 93 -14.344 25.500 -10.308 1.00 44.35 H new ATOM 0 HB2 SER A 93 -15.165 23.322 -9.200 1.00 14.25 H new ATOM 0 HB3 SER A 93 -13.606 23.936 -8.687 1.00 14.25 H new ATOM 0 HG SER A 93 -14.371 24.232 -6.728 1.00 25.04 H new ATOM 738 N LYS A 94 -16.760 24.858 -10.909 1.00 3.42 N ATOM 739 CA LYS A 94 -18.131 24.842 -11.405 1.00 22.43 C ATOM 740 C LYS A 94 -18.977 23.834 -10.632 1.00 45.32 C ATOM 741 O LYS A 94 -20.177 23.703 -10.872 1.00 71.22 O ATOM 742 CB LYS A 94 -18.151 24.503 -12.897 1.00 30.51 C ATOM 743 CG LYS A 94 -17.454 23.196 -13.233 1.00 62.32 C ATOM 744 CD LYS A 94 -16.550 23.342 -14.446 1.00 73.31 C ATOM 745 CE LYS A 94 -17.355 23.577 -15.715 1.00 63.13 C ATOM 746 NZ LYS A 94 -16.500 24.069 -16.831 1.00 25.50 N ATOM 0 H LYS A 94 -16.102 24.319 -11.472 1.00 3.42 H new ATOM 0 HA LYS A 94 -18.556 25.835 -11.259 1.00 22.43 H new ATOM 0 HB2 LYS A 94 -19.186 24.451 -13.235 1.00 30.51 H new ATOM 0 HB3 LYS A 94 -17.675 25.312 -13.451 1.00 30.51 H new ATOM 0 HG2 LYS A 94 -16.865 22.866 -12.377 1.00 62.32 H new ATOM 0 HG3 LYS A 94 -18.199 22.424 -13.424 1.00 62.32 H new ATOM 0 HD2 LYS A 94 -15.862 24.173 -14.291 1.00 73.31 H new ATOM 0 HD3 LYS A 94 -15.943 22.443 -14.560 1.00 73.31 H new ATOM 0 HE2 LYS A 94 -17.842 22.649 -16.013 1.00 63.13 H new ATOM 0 HE3 LYS A 94 -18.144 24.302 -15.515 1.00 63.13 H new ATOM 0 HZ1 LYS A 94 -17.086 24.217 -17.678 1.00 25.50 H new ATOM 0 HZ2 LYS A 94 -16.054 24.968 -16.557 1.00 25.50 H new ATOM 0 HZ3 LYS A 94 -15.762 23.366 -17.039 1.00 25.50 H new ATOM 760 N CYS A 95 -18.343 23.126 -9.703 1.00 53.11 N ATOM 761 CA CYS A 95 -19.037 22.131 -8.894 1.00 51.32 C ATOM 762 C CYS A 95 -20.077 22.792 -7.993 1.00 64.11 C ATOM 763 O CYS A 95 -19.776 23.183 -6.865 1.00 53.31 O ATOM 764 CB CYS A 95 -18.036 21.345 -8.045 1.00 41.43 C ATOM 765 SG CYS A 95 -18.802 20.122 -6.934 1.00 52.01 S ATOM 0 H CYS A 95 -17.350 23.223 -9.492 1.00 53.11 H new ATOM 0 HA CYS A 95 -19.549 21.444 -9.568 1.00 51.32 H new ATOM 0 HB2 CYS A 95 -17.339 20.832 -8.707 1.00 41.43 H new ATOM 0 HB3 CYS A 95 -17.452 22.046 -7.449 1.00 41.43 H new ATOM 770 N ARG A 96 -21.300 22.912 -8.499 1.00 65.12 N ATOM 771 CA ARG A 96 -22.383 23.526 -7.741 1.00 72.42 C ATOM 772 C ARG A 96 -22.510 22.888 -6.361 1.00 1.24 C ATOM 773 O ARG A 96 -22.982 23.520 -5.415 1.00 64.32 O ATOM 774 CB ARG A 96 -23.705 23.391 -8.500 1.00 2.01 C ATOM 775 CG ARG A 96 -24.060 21.956 -8.855 1.00 0.41 C ATOM 776 CD ARG A 96 -25.530 21.666 -8.597 1.00 13.41 C ATOM 777 NE ARG A 96 -26.331 21.771 -9.814 1.00 4.40 N ATOM 778 CZ ARG A 96 -27.654 21.659 -9.835 1.00 70.43 C ATOM 779 NH1 ARG A 96 -28.322 21.439 -8.711 1.00 71.24 N ATOM 780 NH2 ARG A 96 -28.312 21.766 -10.983 1.00 1.14 N ATOM 0 H ARG A 96 -21.565 22.592 -9.430 1.00 65.12 H new ATOM 0 HA ARG A 96 -22.150 24.583 -7.614 1.00 72.42 H new ATOM 0 HB2 ARG A 96 -24.506 23.816 -7.895 1.00 2.01 H new ATOM 0 HB3 ARG A 96 -23.650 23.980 -9.416 1.00 2.01 H new ATOM 0 HG2 ARG A 96 -23.830 21.772 -9.905 1.00 0.41 H new ATOM 0 HG3 ARG A 96 -23.445 21.272 -8.270 1.00 0.41 H new ATOM 0 HD2 ARG A 96 -25.634 20.664 -8.180 1.00 13.41 H new ATOM 0 HD3 ARG A 96 -25.911 22.363 -7.851 1.00 13.41 H new ATOM 0 HE ARG A 96 -25.848 21.940 -10.696 1.00 4.40 H new ATOM 0 HH11 ARG A 96 -27.820 21.355 -7.827 1.00 71.24 H new ATOM 0 HH12 ARG A 96 -29.338 21.353 -8.730 1.00 71.24 H new ATOM 0 HH21 ARG A 96 -27.801 21.934 -11.850 1.00 1.14 H new ATOM 0 HH22 ARG A 96 -29.328 21.680 -10.998 1.00 1.14 H new ATOM 794 N SER A 97 -22.086 21.633 -6.253 1.00 2.02 N ATOM 795 CA SER A 97 -22.156 20.908 -4.989 1.00 43.43 C ATOM 796 C SER A 97 -20.810 20.937 -4.272 1.00 24.43 C ATOM 797 O SER A 97 -20.138 19.911 -4.145 1.00 55.54 O ATOM 798 CB SER A 97 -22.588 19.461 -5.230 1.00 63.25 C ATOM 799 OG SER A 97 -22.938 18.824 -4.014 1.00 73.21 O ATOM 0 H SER A 97 -21.690 21.097 -7.025 1.00 2.02 H new ATOM 0 HA SER A 97 -22.896 21.399 -4.357 1.00 43.43 H new ATOM 0 HB2 SER A 97 -23.438 19.441 -5.912 1.00 63.25 H new ATOM 0 HB3 SER A 97 -21.779 18.912 -5.712 1.00 63.25 H new ATOM 0 HG SER A 97 -23.212 17.901 -4.195 1.00 73.21 H new ATOM 805 N LEU A 98 -20.421 22.117 -3.803 1.00 42.34 N ATOM 806 CA LEU A 98 -19.154 22.281 -3.098 1.00 15.32 C ATOM 807 C LEU A 98 -19.370 22.293 -1.588 1.00 30.52 C ATOM 808 O LEU A 98 -19.040 21.330 -0.896 1.00 42.22 O ATOM 809 CB LEU A 98 -18.468 23.576 -3.536 1.00 63.11 C ATOM 810 CG LEU A 98 -17.656 23.500 -4.830 1.00 4.35 C ATOM 811 CD1 LEU A 98 -17.747 24.811 -5.595 1.00 13.33 C ATOM 812 CD2 LEU A 98 -16.204 23.157 -4.529 1.00 31.34 C ATOM 0 H LEU A 98 -20.965 22.975 -3.898 1.00 42.34 H new ATOM 0 HA LEU A 98 -18.514 21.435 -3.349 1.00 15.32 H new ATOM 0 HB2 LEU A 98 -19.231 24.346 -3.654 1.00 63.11 H new ATOM 0 HB3 LEU A 98 -17.806 23.903 -2.734 1.00 63.11 H new ATOM 0 HG LEU A 98 -18.074 22.709 -5.453 1.00 4.35 H new ATOM 0 HD11 LEU A 98 -17.163 24.738 -6.513 1.00 13.33 H new ATOM 0 HD12 LEU A 98 -18.788 25.016 -5.843 1.00 13.33 H new ATOM 0 HD13 LEU A 98 -17.355 25.620 -4.979 1.00 13.33 H new ATOM 0 HD21 LEU A 98 -15.641 23.107 -5.461 1.00 31.34 H new ATOM 0 HD22 LEU A 98 -15.774 23.925 -3.886 1.00 31.34 H new ATOM 0 HD23 LEU A 98 -16.155 22.192 -4.024 1.00 31.34 H new ATOM 824 N GLY A 99 -19.929 23.388 -1.083 1.00 3.41 N ATOM 825 CA GLY A 99 -20.181 23.504 0.342 1.00 61.44 C ATOM 826 C GLY A 99 -21.574 23.043 0.723 1.00 62.22 C ATOM 827 O GLY A 99 -21.733 22.131 1.534 1.00 23.33 O ATOM 0 H GLY A 99 -20.212 24.197 -1.635 1.00 3.41 H new ATOM 0 HA2 GLY A 99 -19.444 22.914 0.887 1.00 61.44 H new ATOM 0 HA3 GLY A 99 -20.048 24.542 0.648 1.00 61.44 H new ATOM 831 N ARG A 100 -22.586 23.675 0.138 1.00 45.53 N ATOM 832 CA ARG A 100 -23.972 23.327 0.423 1.00 31.11 C ATOM 833 C ARG A 100 -24.267 23.446 1.916 1.00 44.35 C ATOM 834 O ARG A 100 -24.792 22.518 2.531 1.00 63.34 O ATOM 835 CB ARG A 100 -24.271 21.905 -0.055 1.00 35.24 C ATOM 836 CG ARG A 100 -25.753 21.568 -0.072 1.00 74.44 C ATOM 837 CD ARG A 100 -25.993 20.096 0.225 1.00 35.23 C ATOM 838 NE ARG A 100 -25.767 19.256 -0.948 1.00 24.02 N ATOM 839 CZ ARG A 100 -25.670 17.932 -0.896 1.00 55.14 C ATOM 840 NH1 ARG A 100 -25.781 17.301 0.264 1.00 33.41 N ATOM 841 NH2 ARG A 100 -25.464 17.237 -2.008 1.00 5.14 N ATOM 0 H ARG A 100 -22.472 24.431 -0.537 1.00 45.53 H new ATOM 0 HA ARG A 100 -24.614 24.026 -0.113 1.00 31.11 H new ATOM 0 HB2 ARG A 100 -23.866 21.775 -1.059 1.00 35.24 H new ATOM 0 HB3 ARG A 100 -23.753 21.197 0.592 1.00 35.24 H new ATOM 0 HG2 ARG A 100 -26.275 22.179 0.665 1.00 74.44 H new ATOM 0 HG3 ARG A 100 -26.173 21.817 -1.047 1.00 74.44 H new ATOM 0 HD2 ARG A 100 -25.333 19.777 1.032 1.00 35.23 H new ATOM 0 HD3 ARG A 100 -27.016 19.959 0.577 1.00 35.23 H new ATOM 0 HE ARG A 100 -25.679 19.711 -1.857 1.00 24.02 H new ATOM 0 HH11 ARG A 100 -25.941 17.832 1.120 1.00 33.41 H new ATOM 0 HH12 ARG A 100 -25.706 16.284 0.301 1.00 33.41 H new ATOM 0 HH21 ARG A 100 -25.380 17.719 -2.903 1.00 5.14 H new ATOM 0 HH22 ARG A 100 -25.390 16.221 -1.968 1.00 5.14 H new ATOM 855 N ILE A 101 -23.924 24.594 2.491 1.00 55.12 N ATOM 856 CA ILE A 101 -24.153 24.834 3.910 1.00 2.42 C ATOM 857 C ILE A 101 -24.906 26.142 4.132 1.00 23.33 C ATOM 858 O ILE A 101 -24.323 27.225 4.071 1.00 35.20 O ATOM 859 CB ILE A 101 -22.828 24.879 4.694 1.00 63.41 C ATOM 860 CG1 ILE A 101 -21.976 23.650 4.368 1.00 44.44 C ATOM 861 CG2 ILE A 101 -23.099 24.960 6.189 1.00 61.13 C ATOM 862 CD1 ILE A 101 -20.630 23.647 5.059 1.00 14.14 C ATOM 0 H ILE A 101 -23.487 25.372 1.996 1.00 55.12 H new ATOM 0 HA ILE A 101 -24.756 24.003 4.277 1.00 2.42 H new ATOM 0 HB ILE A 101 -22.277 25.771 4.396 1.00 63.41 H new ATOM 0 HG12 ILE A 101 -22.524 22.752 4.654 1.00 44.44 H new ATOM 0 HG13 ILE A 101 -21.822 23.600 3.290 1.00 44.44 H new ATOM 0 HG21 ILE A 101 -22.153 24.991 6.729 1.00 61.13 H new ATOM 0 HG22 ILE A 101 -23.671 25.862 6.407 1.00 61.13 H new ATOM 0 HG23 ILE A 101 -23.668 24.085 6.504 1.00 61.13 H new ATOM 0 HD11 ILE A 101 -20.081 22.747 4.782 1.00 14.14 H new ATOM 0 HD12 ILE A 101 -20.063 24.527 4.755 1.00 14.14 H new ATOM 0 HD13 ILE A 101 -20.775 23.665 6.139 1.00 14.14 H new ATOM 874 N LYS A 102 -26.204 26.033 4.393 1.00 51.35 N ATOM 875 CA LYS A 102 -27.038 27.206 4.628 1.00 73.24 C ATOM 876 C LYS A 102 -26.728 27.832 5.984 1.00 63.45 C ATOM 877 O LYS A 102 -26.559 27.127 6.979 1.00 10.22 O ATOM 878 CB LYS A 102 -28.519 26.826 4.556 1.00 12.34 C ATOM 879 CG LYS A 102 -29.437 28.006 4.286 1.00 71.24 C ATOM 880 CD LYS A 102 -30.897 27.634 4.487 1.00 4.45 C ATOM 881 CE LYS A 102 -31.472 26.947 3.259 1.00 40.34 C ATOM 882 NZ LYS A 102 -31.086 25.510 3.195 1.00 51.42 N ATOM 0 H LYS A 102 -26.702 25.144 4.447 1.00 51.35 H new ATOM 0 HA LYS A 102 -26.818 27.939 3.851 1.00 73.24 H new ATOM 0 HB2 LYS A 102 -28.657 26.082 3.771 1.00 12.34 H new ATOM 0 HB3 LYS A 102 -28.811 26.357 5.495 1.00 12.34 H new ATOM 0 HG2 LYS A 102 -29.176 28.831 4.949 1.00 71.24 H new ATOM 0 HG3 LYS A 102 -29.288 28.358 3.265 1.00 71.24 H new ATOM 0 HD2 LYS A 102 -30.990 26.975 5.350 1.00 4.45 H new ATOM 0 HD3 LYS A 102 -31.475 28.531 4.707 1.00 4.45 H new ATOM 0 HE2 LYS A 102 -32.559 27.031 3.272 1.00 40.34 H new ATOM 0 HE3 LYS A 102 -31.123 27.457 2.361 1.00 40.34 H new ATOM 0 HZ1 LYS A 102 -31.897 24.947 2.867 1.00 51.42 H new ATOM 0 HZ2 LYS A 102 -30.292 25.393 2.533 1.00 51.42 H new ATOM 0 HZ3 LYS A 102 -30.799 25.185 4.140 1.00 51.42 H new TER 896 LYS A 102