USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 LYS NZ :NH3+ -159:sc= 1.08 (180deg=0.44) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.53 USER MOD Set 2.1: A 55 GLN : amide:sc= 0.375 K(o=0.62,f=-0.38) USER MOD Set 2.2: A 57 TYR OH : rot -45:sc= 0.249 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0563 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= 0.332 K(o=0.33,f=-3.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.684 K(o=0.68,f=0) USER MOD Single : A 39 THR OG1 : rot -44:sc= 0.513 USER MOD Single : A 40 CYS SG : rot 38:sc= -0.139 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0117) USER MOD Single : A 52 GLN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 63 SER OG : rot -160:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=-0.018) USER MOD Single : A 72 HIS : no HD1:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 163:sc= -0.0841 (180deg=-0.413) USER MOD Single : A 85 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 92 THR OG1 : rot 140:sc= 1.17 USER MOD Single : A 99 HIS : no HD1:sc= -0.344 K(o=-0.34,f=-1.4) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.12) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.422 K(o=0.42,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.896 -23.369 0.086 1.00 0.00 N ATOM 2 CA GLY A 1 2.073 -22.703 0.661 1.00 0.00 C ATOM 3 C GLY A 1 1.705 -21.297 1.111 1.00 0.00 C ATOM 4 O GLY A 1 0.580 -21.090 1.555 1.00 0.00 O ATOM 0 H1 GLY A 1 0.904 -24.375 0.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.031 -22.923 0.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.919 -23.281 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.450 -23.278 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.874 -22.660 -0.077 1.00 0.00 H new ATOM 8 N HIS A 2 2.621 -20.327 1.005 1.00 0.00 N ATOM 9 CA HIS A 2 2.431 -18.901 1.328 1.00 0.00 C ATOM 10 C HIS A 2 2.584 -18.633 2.840 1.00 0.00 C ATOM 11 O HIS A 2 2.692 -19.561 3.648 1.00 0.00 O ATOM 12 CB HIS A 2 1.125 -18.326 0.717 1.00 0.00 C ATOM 13 CG HIS A 2 0.957 -18.505 -0.777 1.00 0.00 C ATOM 14 ND1 HIS A 2 1.652 -19.328 -1.642 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.034 -17.835 -1.526 1.00 0.00 C ATOM 16 CE1 HIS A 2 1.105 -19.210 -2.861 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.094 -18.327 -2.832 1.00 0.00 N ATOM 0 H HIS A 2 3.566 -20.522 0.674 1.00 0.00 H new ATOM 0 HA HIS A 2 3.236 -18.346 0.846 1.00 0.00 H new ATOM 0 HB2 HIS A 2 0.277 -18.794 1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 2 1.080 -17.261 0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.628 -17.059 -1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.431 -19.748 -3.739 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.511 -18.067 -3.611 1.00 0.00 H new ATOM 25 N VAL A 3 2.638 -17.353 3.216 1.00 0.00 N ATOM 26 CA VAL A 3 2.875 -16.804 4.561 1.00 0.00 C ATOM 27 C VAL A 3 1.671 -15.928 4.899 1.00 0.00 C ATOM 28 O VAL A 3 1.307 -15.114 4.054 1.00 0.00 O ATOM 29 CB VAL A 3 4.180 -15.956 4.600 1.00 0.00 C ATOM 30 CG1 VAL A 3 5.357 -16.701 5.230 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.652 -15.435 3.240 1.00 0.00 C ATOM 0 H VAL A 3 2.506 -16.608 2.532 1.00 0.00 H new ATOM 0 HA VAL A 3 2.996 -17.611 5.284 1.00 0.00 H new ATOM 0 HB VAL A 3 3.885 -15.106 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.237 -16.058 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.108 -16.973 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.566 -17.604 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.567 -14.857 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.846 -16.277 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.880 -14.800 2.806 1.00 0.00 H new ATOM 41 N GLN A 4 1.027 -16.083 6.063 1.00 0.00 N ATOM 42 CA GLN A 4 -0.053 -15.186 6.459 1.00 0.00 C ATOM 43 C GLN A 4 0.528 -13.846 6.900 1.00 0.00 C ATOM 44 O GLN A 4 1.660 -13.793 7.387 1.00 0.00 O ATOM 45 CB GLN A 4 -0.952 -15.845 7.528 1.00 0.00 C ATOM 46 CG GLN A 4 -2.406 -15.423 7.294 1.00 0.00 C ATOM 47 CD GLN A 4 -3.414 -16.114 8.212 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.547 -17.338 8.221 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.159 -15.345 8.986 1.00 0.00 N ATOM 0 H GLN A 4 1.237 -16.817 6.739 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.702 -14.990 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.863 -16.930 7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.630 -15.546 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.486 -14.345 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.671 -15.633 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.037 -14.332 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.856 -15.764 9.602 1.00 0.00 H new ATOM 58 N LEU A 5 -0.240 -12.774 6.716 1.00 0.00 N ATOM 59 CA LEU A 5 0.056 -11.418 7.166 1.00 0.00 C ATOM 60 C LEU A 5 -1.254 -10.760 7.586 1.00 0.00 C ATOM 61 O LEU A 5 -2.336 -11.186 7.161 1.00 0.00 O ATOM 62 CB LEU A 5 0.714 -10.596 6.039 1.00 0.00 C ATOM 63 CG LEU A 5 2.128 -11.044 5.623 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.633 -10.133 4.499 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.122 -10.959 6.782 1.00 0.00 C ATOM 0 H LEU A 5 -1.131 -12.832 6.223 1.00 0.00 H new ATOM 0 HA LEU A 5 0.753 -11.456 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.068 -10.634 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.761 -9.554 6.355 1.00 0.00 H new ATOM 0 HG LEU A 5 2.060 -12.082 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.634 -10.445 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.960 -10.203 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.665 -9.102 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.105 -11.284 6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.182 -9.929 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.788 -11.603 7.596 1.00 0.00 H new ATOM 77 N SER A 6 -1.174 -9.725 8.416 1.00 0.00 N ATOM 78 CA SER A 6 -2.321 -9.053 8.995 1.00 0.00 C ATOM 79 C SER A 6 -2.014 -7.554 9.059 1.00 0.00 C ATOM 80 O SER A 6 -0.923 -7.167 9.481 1.00 0.00 O ATOM 81 CB SER A 6 -2.632 -9.659 10.380 1.00 0.00 C ATOM 82 OG SER A 6 -1.962 -10.891 10.632 1.00 0.00 O ATOM 0 H SER A 6 -0.283 -9.323 8.709 1.00 0.00 H new ATOM 0 HA SER A 6 -3.214 -9.192 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.354 -8.941 11.151 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.707 -9.817 10.464 1.00 0.00 H new ATOM 0 HG SER A 6 -2.202 -11.217 11.524 1.00 0.00 H new ATOM 88 N LEU A 7 -2.935 -6.697 8.613 1.00 0.00 N ATOM 89 CA LEU A 7 -2.748 -5.243 8.618 1.00 0.00 C ATOM 90 C LEU A 7 -3.833 -4.570 9.452 1.00 0.00 C ATOM 91 O LEU A 7 -4.941 -5.111 9.511 1.00 0.00 O ATOM 92 CB LEU A 7 -2.785 -4.699 7.177 1.00 0.00 C ATOM 93 CG LEU A 7 -1.701 -5.281 6.254 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.897 -4.743 4.833 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.287 -4.922 6.728 1.00 0.00 C ATOM 0 H LEU A 7 -3.836 -6.993 8.236 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.776 -5.021 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.764 -4.910 6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.677 -3.615 7.207 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.801 -6.366 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.129 -5.155 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.881 -5.035 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.821 -3.656 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.446 -5.354 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.173 -3.838 6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.128 -5.319 7.731 1.00 0.00 H new ATOM 107 N PRO A 8 -3.564 -3.402 10.061 1.00 0.00 N ATOM 108 CA PRO A 8 -4.602 -2.524 10.578 1.00 0.00 C ATOM 109 C PRO A 8 -5.316 -1.857 9.392 1.00 0.00 C ATOM 110 O PRO A 8 -4.682 -1.506 8.394 1.00 0.00 O ATOM 111 CB PRO A 8 -3.849 -1.514 11.452 1.00 0.00 C ATOM 112 CG PRO A 8 -2.482 -1.384 10.784 1.00 0.00 C ATOM 113 CD PRO A 8 -2.253 -2.775 10.196 1.00 0.00 C ATOM 0 HA PRO A 8 -5.372 -3.033 11.158 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.367 -0.556 11.489 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.758 -1.867 12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.482 -0.614 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.706 -1.116 11.501 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.756 -2.708 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.607 -3.367 10.845 1.00 0.00 H new ATOM 121 N VAL A 9 -6.631 -1.680 9.486 1.00 0.00 N ATOM 122 CA VAL A 9 -7.449 -0.942 8.531 1.00 0.00 C ATOM 123 C VAL A 9 -7.562 0.468 9.094 1.00 0.00 C ATOM 124 O VAL A 9 -8.213 0.668 10.121 1.00 0.00 O ATOM 125 CB VAL A 9 -8.829 -1.604 8.345 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.653 -0.895 7.260 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.687 -3.087 7.966 1.00 0.00 C ATOM 0 H VAL A 9 -7.176 -2.062 10.259 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.000 -0.932 7.538 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.347 -1.519 9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.619 -1.389 7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.806 0.147 7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.119 -0.939 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.676 -3.527 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.132 -3.172 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.152 -3.615 8.756 1.00 0.00 H new ATOM 137 N LEU A 10 -6.870 1.412 8.466 1.00 0.00 N ATOM 138 CA LEU A 10 -6.845 2.825 8.815 1.00 0.00 C ATOM 139 C LEU A 10 -7.858 3.556 7.923 1.00 0.00 C ATOM 140 O LEU A 10 -8.473 2.949 7.046 1.00 0.00 O ATOM 141 CB LEU A 10 -5.415 3.365 8.606 1.00 0.00 C ATOM 142 CG LEU A 10 -4.307 2.620 9.382 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.920 3.068 8.915 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.409 2.847 10.893 1.00 0.00 C ATOM 0 H LEU A 10 -6.282 1.200 7.660 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.118 2.983 9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.181 3.324 7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.395 4.415 8.896 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.447 1.559 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.156 2.530 9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.808 2.855 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.807 4.139 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.610 2.304 11.397 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.316 3.912 11.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.374 2.487 11.251 1.00 0.00 H new ATOM 156 N GLN A 11 -8.021 4.865 8.114 1.00 0.00 N ATOM 157 CA GLN A 11 -8.839 5.720 7.251 1.00 0.00 C ATOM 158 C GLN A 11 -7.950 6.572 6.347 1.00 0.00 C ATOM 159 O GLN A 11 -6.909 7.041 6.798 1.00 0.00 O ATOM 160 CB GLN A 11 -9.716 6.624 8.129 1.00 0.00 C ATOM 161 CG GLN A 11 -10.828 5.837 8.821 1.00 0.00 C ATOM 162 CD GLN A 11 -12.039 6.717 9.105 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.004 7.627 9.927 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.129 6.479 8.399 1.00 0.00 N ATOM 0 H GLN A 11 -7.582 5.370 8.884 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.471 5.096 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.096 7.114 8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.155 7.411 7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.126 4.997 8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.453 5.419 9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.141 5.718 7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.959 7.056 8.533 1.00 0.00 H new ATOM 173 N VAL A 12 -8.378 6.884 5.117 1.00 0.00 N ATOM 174 CA VAL A 12 -7.629 7.742 4.181 1.00 0.00 C ATOM 175 C VAL A 12 -7.350 9.121 4.814 1.00 0.00 C ATOM 176 O VAL A 12 -6.382 9.799 4.453 1.00 0.00 O ATOM 177 CB VAL A 12 -8.389 7.834 2.835 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.791 8.458 2.868 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.563 8.570 1.775 1.00 0.00 C ATOM 0 H VAL A 12 -9.262 6.546 4.737 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.655 7.300 3.971 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.537 6.784 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.211 8.462 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.433 7.875 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.725 9.481 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.126 8.617 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.347 9.581 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.627 8.036 1.608 1.00 0.00 H new ATOM 189 N ARG A 13 -8.184 9.535 5.779 1.00 0.00 N ATOM 190 CA ARG A 13 -8.034 10.808 6.468 1.00 0.00 C ATOM 191 C ARG A 13 -6.932 10.759 7.525 1.00 0.00 C ATOM 192 O ARG A 13 -6.223 11.749 7.695 1.00 0.00 O ATOM 193 CB ARG A 13 -9.384 11.246 7.063 1.00 0.00 C ATOM 194 CG ARG A 13 -9.836 10.448 8.294 1.00 0.00 C ATOM 195 CD ARG A 13 -11.307 10.684 8.665 1.00 0.00 C ATOM 196 NE ARG A 13 -11.434 10.895 10.113 1.00 0.00 N ATOM 197 CZ ARG A 13 -11.177 12.045 10.746 1.00 0.00 C ATOM 198 NH1 ARG A 13 -11.025 13.176 10.058 1.00 0.00 N ATOM 199 NH2 ARG A 13 -11.036 12.046 12.066 1.00 0.00 N ATOM 0 H ARG A 13 -8.983 8.987 6.099 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.722 11.557 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.320 12.300 7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.149 11.161 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.682 9.385 8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.207 10.716 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.691 11.551 8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.909 9.828 8.360 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.742 10.104 10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.104 13.169 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.829 14.049 10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.124 11.175 12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.840 12.918 12.557 1.00 0.00 H new ATOM 213 N ASP A 14 -6.810 9.639 8.236 1.00 0.00 N ATOM 214 CA ASP A 14 -5.865 9.434 9.338 1.00 0.00 C ATOM 215 C ASP A 14 -4.483 9.150 8.781 1.00 0.00 C ATOM 216 O ASP A 14 -3.454 9.537 9.331 1.00 0.00 O ATOM 217 CB ASP A 14 -6.292 8.218 10.173 1.00 0.00 C ATOM 218 CG ASP A 14 -7.242 8.649 11.281 1.00 0.00 C ATOM 219 OD1 ASP A 14 -8.448 8.792 10.983 1.00 0.00 O ATOM 220 OD2 ASP A 14 -6.761 8.892 12.408 1.00 0.00 O ATOM 0 H ASP A 14 -7.387 8.818 8.055 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.853 10.333 9.954 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.778 7.481 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.414 7.737 10.604 1.00 0.00 H new ATOM 225 N VAL A 15 -4.458 8.460 7.652 1.00 0.00 N ATOM 226 CA VAL A 15 -3.326 8.204 6.792 1.00 0.00 C ATOM 227 C VAL A 15 -2.890 9.510 6.133 1.00 0.00 C ATOM 228 O VAL A 15 -3.083 9.698 4.942 1.00 0.00 O ATOM 229 CB VAL A 15 -3.656 7.063 5.818 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.398 6.629 5.090 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.155 5.787 6.525 1.00 0.00 C ATOM 0 H VAL A 15 -5.307 8.029 7.287 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.465 7.854 7.361 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.429 7.461 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.638 5.820 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.991 7.472 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.660 6.283 5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.371 5.020 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.386 5.425 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.062 6.013 7.086 1.00 0.00 H new ATOM 241 N LEU A 16 -2.448 10.474 6.926 1.00 0.00 N ATOM 242 CA LEU A 16 -1.865 11.746 6.541 1.00 0.00 C ATOM 243 C LEU A 16 -1.014 11.681 5.268 1.00 0.00 C ATOM 244 O LEU A 16 -0.994 12.664 4.526 1.00 0.00 O ATOM 245 CB LEU A 16 -0.972 12.217 7.695 1.00 0.00 C ATOM 246 CG LEU A 16 -1.656 12.524 9.038 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.597 13.051 10.003 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.786 13.545 8.898 1.00 0.00 C ATOM 0 H LEU A 16 -2.493 10.376 7.940 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.688 12.430 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.215 11.452 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.448 13.116 7.370 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.107 11.606 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.060 13.276 10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.177 12.296 10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.151 13.958 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.236 13.726 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.386 14.479 8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.543 13.158 8.216 1.00 0.00 H new ATOM 260 N VAL A 17 -0.313 10.570 5.009 1.00 0.00 N ATOM 261 CA VAL A 17 0.493 10.357 3.815 1.00 0.00 C ATOM 262 C VAL A 17 0.185 8.952 3.293 1.00 0.00 C ATOM 263 O VAL A 17 0.311 7.968 4.024 1.00 0.00 O ATOM 264 CB VAL A 17 1.997 10.619 4.087 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.262 11.537 5.271 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.857 9.379 4.334 1.00 0.00 C ATOM 0 H VAL A 17 -0.295 9.775 5.648 1.00 0.00 H new ATOM 0 HA VAL A 17 0.237 11.075 3.036 1.00 0.00 H new ATOM 0 HB VAL A 17 2.285 11.084 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.337 11.670 5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.795 12.505 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.845 11.094 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.889 9.682 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.480 8.843 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.816 8.728 3.461 1.00 0.00 H new ATOM 276 N ARG A 18 -0.303 8.838 2.056 1.00 0.00 N ATOM 277 CA ARG A 18 -0.790 7.587 1.481 1.00 0.00 C ATOM 278 C ARG A 18 0.121 7.038 0.384 1.00 0.00 C ATOM 279 O ARG A 18 -0.278 6.116 -0.333 1.00 0.00 O ATOM 280 CB ARG A 18 -2.208 7.776 0.961 1.00 0.00 C ATOM 281 CG ARG A 18 -3.123 8.484 1.953 1.00 0.00 C ATOM 282 CD ARG A 18 -3.311 9.946 1.592 1.00 0.00 C ATOM 283 NE ARG A 18 -4.142 10.642 2.575 1.00 0.00 N ATOM 284 CZ ARG A 18 -3.987 11.900 2.985 1.00 0.00 C ATOM 285 NH1 ARG A 18 -3.212 12.753 2.327 1.00 0.00 N ATOM 286 NH2 ARG A 18 -4.619 12.291 4.083 1.00 0.00 N ATOM 0 H ARG A 18 -0.371 9.629 1.416 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.788 6.843 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.175 8.349 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.632 6.802 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.092 7.986 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.703 8.407 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.338 10.433 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.771 10.022 0.607 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.913 10.114 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.719 12.450 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.110 13.711 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.208 11.633 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.516 13.249 4.417 1.00 0.00 H new ATOM 300 N GLY A 19 1.287 7.630 0.173 1.00 0.00 N ATOM 301 CA GLY A 19 2.080 7.473 -1.036 1.00 0.00 C ATOM 302 C GLY A 19 3.448 6.992 -0.618 1.00 0.00 C ATOM 303 O GLY A 19 4.264 7.798 -0.181 1.00 0.00 O ATOM 0 H GLY A 19 1.719 8.250 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.612 6.758 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.153 8.419 -1.573 1.00 0.00 H new ATOM 307 N PHE A 20 3.694 5.678 -0.649 1.00 0.00 N ATOM 308 CA PHE A 20 4.952 5.108 -0.197 1.00 0.00 C ATOM 309 C PHE A 20 6.160 5.688 -0.939 1.00 0.00 C ATOM 310 O PHE A 20 7.265 5.682 -0.405 1.00 0.00 O ATOM 311 CB PHE A 20 4.887 3.598 -0.398 1.00 0.00 C ATOM 312 CG PHE A 20 4.125 2.828 0.649 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.605 2.805 1.969 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.008 2.054 0.296 1.00 0.00 C ATOM 315 CE1 PHE A 20 3.938 2.046 2.946 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.398 1.238 1.254 1.00 0.00 C ATOM 317 CZ PHE A 20 2.856 1.234 2.579 1.00 0.00 C ATOM 0 H PHE A 20 3.024 4.988 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 20 5.088 5.357 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.434 3.399 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.906 3.212 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.486 3.370 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.621 2.089 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.258 2.088 3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.569 0.607 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.376 0.607 3.315 1.00 0.00 H new ATOM 327 N GLY A 21 5.944 6.209 -2.140 1.00 0.00 N ATOM 328 CA GLY A 21 6.924 6.849 -2.990 1.00 0.00 C ATOM 329 C GLY A 21 6.186 7.760 -3.954 1.00 0.00 C ATOM 330 O GLY A 21 4.955 7.836 -3.910 1.00 0.00 O ATOM 0 H GLY A 21 5.018 6.192 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.632 7.422 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.500 6.102 -3.537 1.00 0.00 H new ATOM 334 N ASP A 22 6.937 8.439 -4.815 1.00 0.00 N ATOM 335 CA ASP A 22 6.414 9.362 -5.827 1.00 0.00 C ATOM 336 C ASP A 22 6.560 8.780 -7.240 1.00 0.00 C ATOM 337 O ASP A 22 6.186 9.404 -8.232 1.00 0.00 O ATOM 338 CB ASP A 22 7.100 10.726 -5.668 1.00 0.00 C ATOM 339 CG ASP A 22 6.273 11.874 -6.253 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.046 11.918 -6.005 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.860 12.816 -6.831 1.00 0.00 O ATOM 0 H ASP A 22 7.954 8.363 -4.832 1.00 0.00 H new ATOM 0 HA ASP A 22 5.344 9.505 -5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.281 10.916 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.073 10.698 -6.158 1.00 0.00 H new ATOM 346 N SER A 23 7.044 7.540 -7.322 1.00 0.00 N ATOM 347 CA SER A 23 7.039 6.662 -8.480 1.00 0.00 C ATOM 348 C SER A 23 6.339 5.364 -8.075 1.00 0.00 C ATOM 349 O SER A 23 6.408 4.976 -6.906 1.00 0.00 O ATOM 350 CB SER A 23 8.490 6.376 -8.895 1.00 0.00 C ATOM 351 OG SER A 23 8.909 7.173 -9.975 1.00 0.00 O ATOM 0 H SER A 23 7.482 7.095 -6.516 1.00 0.00 H new ATOM 0 HA SER A 23 6.518 7.120 -9.321 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.149 6.548 -8.044 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.587 5.324 -9.165 1.00 0.00 H new ATOM 0 HG SER A 23 9.838 6.956 -10.201 1.00 0.00 H new ATOM 357 N VAL A 24 5.732 4.642 -9.024 1.00 0.00 N ATOM 358 CA VAL A 24 5.308 3.263 -8.775 1.00 0.00 C ATOM 359 C VAL A 24 6.513 2.416 -8.393 1.00 0.00 C ATOM 360 O VAL A 24 6.400 1.605 -7.476 1.00 0.00 O ATOM 361 CB VAL A 24 4.411 2.646 -9.889 1.00 0.00 C ATOM 362 CG1 VAL A 24 4.362 3.401 -11.221 1.00 0.00 C ATOM 363 CG2 VAL A 24 4.724 1.178 -10.237 1.00 0.00 C ATOM 0 H VAL A 24 5.526 4.987 -9.962 1.00 0.00 H new ATOM 0 HA VAL A 24 4.629 3.278 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 24 3.442 2.729 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.706 2.874 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.980 4.408 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.365 3.459 -11.644 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.048 0.838 -11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.754 1.098 -10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.592 0.558 -9.350 1.00 0.00 H new ATOM 373 N GLU A 25 7.651 2.593 -9.061 1.00 0.00 N ATOM 374 CA GLU A 25 8.797 1.732 -8.817 1.00 0.00 C ATOM 375 C GLU A 25 9.425 1.968 -7.447 1.00 0.00 C ATOM 376 O GLU A 25 10.025 1.045 -6.898 1.00 0.00 O ATOM 377 CB GLU A 25 9.832 1.910 -9.924 1.00 0.00 C ATOM 378 CG GLU A 25 9.266 1.440 -11.278 1.00 0.00 C ATOM 379 CD GLU A 25 10.302 0.739 -12.169 1.00 0.00 C ATOM 380 OE1 GLU A 25 11.526 0.915 -11.960 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.889 0.045 -13.124 1.00 0.00 O ATOM 0 H GLU A 25 7.800 3.316 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 25 8.437 0.703 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.125 2.958 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.731 1.343 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.434 0.759 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.863 2.301 -11.812 1.00 0.00 H new ATOM 388 N GLU A 26 9.255 3.163 -6.884 1.00 0.00 N ATOM 389 CA GLU A 26 9.477 3.413 -5.467 1.00 0.00 C ATOM 390 C GLU A 26 8.410 2.652 -4.683 1.00 0.00 C ATOM 391 O GLU A 26 8.710 1.684 -3.984 1.00 0.00 O ATOM 392 CB GLU A 26 9.414 4.921 -5.152 1.00 0.00 C ATOM 393 CG GLU A 26 10.624 5.656 -5.738 1.00 0.00 C ATOM 394 CD GLU A 26 10.678 7.153 -5.411 1.00 0.00 C ATOM 395 OE1 GLU A 26 9.684 7.741 -4.921 1.00 0.00 O ATOM 396 OE2 GLU A 26 11.746 7.751 -5.678 1.00 0.00 O ATOM 0 H GLU A 26 8.957 3.988 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 26 10.471 3.070 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.495 5.343 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.382 5.070 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.534 5.183 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.618 5.534 -6.821 1.00 0.00 H new ATOM 403 N ALA A 27 7.154 3.084 -4.828 1.00 0.00 N ATOM 404 CA ALA A 27 6.051 2.728 -3.958 1.00 0.00 C ATOM 405 C ALA A 27 5.903 1.212 -3.795 1.00 0.00 C ATOM 406 O ALA A 27 5.725 0.753 -2.671 1.00 0.00 O ATOM 407 CB ALA A 27 4.768 3.383 -4.479 1.00 0.00 C ATOM 0 H ALA A 27 6.877 3.712 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 27 6.259 3.108 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.934 3.119 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.891 4.466 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.565 3.031 -5.490 1.00 0.00 H new ATOM 413 N LEU A 28 6.029 0.428 -4.870 1.00 0.00 N ATOM 414 CA LEU A 28 6.009 -1.032 -4.861 1.00 0.00 C ATOM 415 C LEU A 28 7.026 -1.609 -3.859 1.00 0.00 C ATOM 416 O LEU A 28 6.700 -2.469 -3.036 1.00 0.00 O ATOM 417 CB LEU A 28 6.297 -1.505 -6.305 1.00 0.00 C ATOM 418 CG LEU A 28 5.569 -2.778 -6.742 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.949 -3.126 -8.186 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.822 -3.993 -5.846 1.00 0.00 C ATOM 0 H LEU A 28 6.153 0.812 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 28 5.034 -1.394 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.030 -0.701 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.370 -1.668 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 28 4.506 -2.552 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.427 -4.033 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.665 -2.305 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.025 -3.287 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.268 -4.850 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.887 -4.224 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.492 -3.772 -4.831 1.00 0.00 H new ATOM 432 N SER A 29 8.276 -1.150 -3.928 1.00 0.00 N ATOM 433 CA SER A 29 9.378 -1.679 -3.139 1.00 0.00 C ATOM 434 C SER A 29 9.347 -1.146 -1.704 1.00 0.00 C ATOM 435 O SER A 29 9.647 -1.888 -0.765 1.00 0.00 O ATOM 436 CB SER A 29 10.685 -1.330 -3.846 1.00 0.00 C ATOM 437 OG SER A 29 10.722 -2.018 -5.085 1.00 0.00 O ATOM 0 H SER A 29 8.551 -0.387 -4.546 1.00 0.00 H new ATOM 0 HA SER A 29 9.287 -2.762 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.753 -0.254 -4.008 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.537 -1.614 -3.229 1.00 0.00 H new ATOM 0 HG SER A 29 11.556 -1.803 -5.554 1.00 0.00 H new ATOM 443 N GLU A 30 8.934 0.103 -1.511 1.00 0.00 N ATOM 444 CA GLU A 30 8.721 0.707 -0.203 1.00 0.00 C ATOM 445 C GLU A 30 7.615 -0.020 0.528 1.00 0.00 C ATOM 446 O GLU A 30 7.761 -0.314 1.705 1.00 0.00 O ATOM 447 CB GLU A 30 8.232 2.136 -0.418 1.00 0.00 C ATOM 448 CG GLU A 30 9.278 3.046 -1.039 1.00 0.00 C ATOM 449 CD GLU A 30 10.413 3.389 -0.075 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.180 3.548 1.148 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.571 3.453 -0.544 1.00 0.00 O ATOM 0 H GLU A 30 8.733 0.739 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 30 9.649 0.665 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.351 2.118 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.921 2.553 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.693 2.564 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.800 3.967 -1.372 1.00 0.00 H new ATOM 458 N ALA A 31 6.509 -0.299 -0.150 1.00 0.00 N ATOM 459 CA ALA A 31 5.347 -0.947 0.408 1.00 0.00 C ATOM 460 C ALA A 31 5.739 -2.305 0.975 1.00 0.00 C ATOM 461 O ALA A 31 5.470 -2.592 2.144 1.00 0.00 O ATOM 462 CB ALA A 31 4.317 -1.075 -0.703 1.00 0.00 C ATOM 0 H ALA A 31 6.401 -0.069 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 31 4.923 -0.367 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.422 -1.562 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.058 -0.084 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.731 -1.671 -1.516 1.00 0.00 H new ATOM 468 N ARG A 32 6.435 -3.114 0.174 1.00 0.00 N ATOM 469 CA ARG A 32 7.049 -4.373 0.585 1.00 0.00 C ATOM 470 C ARG A 32 7.949 -4.181 1.800 1.00 0.00 C ATOM 471 O ARG A 32 7.934 -5.011 2.707 1.00 0.00 O ATOM 472 CB ARG A 32 7.812 -4.897 -0.643 1.00 0.00 C ATOM 473 CG ARG A 32 8.424 -6.294 -0.504 1.00 0.00 C ATOM 474 CD ARG A 32 9.300 -6.534 -1.736 1.00 0.00 C ATOM 475 NE ARG A 32 10.014 -7.819 -1.678 1.00 0.00 N ATOM 476 CZ ARG A 32 11.339 -7.999 -1.601 1.00 0.00 C ATOM 477 NH1 ARG A 32 12.171 -6.960 -1.573 1.00 0.00 N ATOM 478 NH2 ARG A 32 11.836 -9.229 -1.568 1.00 0.00 N ATOM 0 H ARG A 32 6.591 -2.901 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 32 6.301 -5.100 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.131 -4.903 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.611 -4.193 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.017 -6.364 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.642 -7.051 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.678 -6.508 -2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.023 -5.724 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 32 9.439 -8.662 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.802 -6.010 -1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.178 -7.114 -1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.210 -10.033 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.844 -9.370 -1.509 1.00 0.00 H new ATOM 492 N GLU A 33 8.704 -3.092 1.871 1.00 0.00 N ATOM 493 CA GLU A 33 9.596 -2.848 2.978 1.00 0.00 C ATOM 494 C GLU A 33 8.791 -2.464 4.232 1.00 0.00 C ATOM 495 O GLU A 33 9.080 -2.930 5.338 1.00 0.00 O ATOM 496 CB GLU A 33 10.616 -1.800 2.492 1.00 0.00 C ATOM 497 CG GLU A 33 11.078 -0.792 3.528 1.00 0.00 C ATOM 498 CD GLU A 33 12.384 -0.108 3.110 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.576 0.244 1.923 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.252 0.045 3.997 1.00 0.00 O ATOM 0 H GLU A 33 8.709 -2.360 1.161 1.00 0.00 H new ATOM 0 HA GLU A 33 10.153 -3.732 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.491 -2.324 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.178 -1.256 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.303 -0.039 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.220 -1.293 4.485 1.00 0.00 H new ATOM 507 N HIS A 34 7.746 -1.653 4.086 1.00 0.00 N ATOM 508 CA HIS A 34 6.906 -1.197 5.178 1.00 0.00 C ATOM 509 C HIS A 34 6.073 -2.361 5.717 1.00 0.00 C ATOM 510 O HIS A 34 5.832 -2.414 6.921 1.00 0.00 O ATOM 511 CB HIS A 34 6.015 -0.035 4.717 1.00 0.00 C ATOM 512 CG HIS A 34 6.715 1.304 4.604 1.00 0.00 C ATOM 513 ND1 HIS A 34 7.523 1.732 3.574 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.495 2.387 5.409 1.00 0.00 C ATOM 515 CE1 HIS A 34 7.774 3.042 3.754 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.176 3.481 4.875 1.00 0.00 N ATOM 0 H HIS A 34 7.457 -1.288 3.178 1.00 0.00 H new ATOM 0 HA HIS A 34 7.537 -0.829 5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.588 -0.288 3.746 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.184 0.064 5.415 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.871 1.156 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.895 2.394 6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.370 3.653 3.093 1.00 0.00 H new ATOM 524 N LEU A 35 5.684 -3.320 4.868 1.00 0.00 N ATOM 525 CA LEU A 35 5.085 -4.586 5.281 1.00 0.00 C ATOM 526 C LEU A 35 6.053 -5.359 6.161 1.00 0.00 C ATOM 527 O LEU A 35 5.653 -5.890 7.199 1.00 0.00 O ATOM 528 CB LEU A 35 4.743 -5.483 4.067 1.00 0.00 C ATOM 529 CG LEU A 35 3.505 -5.121 3.239 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.306 -6.148 2.122 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.232 -5.065 4.076 1.00 0.00 C ATOM 0 H LEU A 35 5.780 -3.232 3.856 1.00 0.00 H new ATOM 0 HA LEU A 35 4.171 -4.341 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.604 -5.485 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.618 -6.503 4.429 1.00 0.00 H new ATOM 0 HG LEU A 35 3.685 -4.127 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.424 -5.884 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.182 -6.155 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.170 -7.138 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.388 -4.804 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.054 -6.038 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.343 -4.312 4.857 1.00 0.00 H new ATOM 543 N LYS A 36 7.306 -5.487 5.725 1.00 0.00 N ATOM 544 CA LYS A 36 8.291 -6.359 6.333 1.00 0.00 C ATOM 545 C LYS A 36 8.616 -5.864 7.735 1.00 0.00 C ATOM 546 O LYS A 36 8.604 -6.649 8.684 1.00 0.00 O ATOM 547 CB LYS A 36 9.500 -6.447 5.400 1.00 0.00 C ATOM 548 CG LYS A 36 10.451 -7.529 5.911 1.00 0.00 C ATOM 549 CD LYS A 36 11.416 -8.055 4.843 1.00 0.00 C ATOM 550 CE LYS A 36 12.117 -6.921 4.096 1.00 0.00 C ATOM 551 NZ LYS A 36 13.255 -7.415 3.296 1.00 0.00 N ATOM 0 H LYS A 36 7.665 -4.973 4.921 1.00 0.00 H new ATOM 0 HA LYS A 36 7.913 -7.373 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.176 -6.680 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.012 -5.486 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.028 -7.129 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.865 -8.361 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.162 -8.695 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.868 -8.673 4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.403 -6.420 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.470 -6.178 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.706 -6.617 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.948 -7.871 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.914 -8.105 2.597 1.00 0.00 H new ATOM 565 N ASN A 37 8.835 -4.552 7.856 1.00 0.00 N ATOM 566 CA ASN A 37 8.978 -3.863 9.131 1.00 0.00 C ATOM 567 C ASN A 37 7.684 -3.972 9.940 1.00 0.00 C ATOM 568 O ASN A 37 7.712 -4.365 11.102 1.00 0.00 O ATOM 569 CB ASN A 37 9.343 -2.389 8.904 1.00 0.00 C ATOM 570 CG ASN A 37 10.784 -2.202 8.444 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.708 -2.305 9.247 1.00 0.00 O ATOM 572 ND2 ASN A 37 11.001 -1.961 7.159 1.00 0.00 N ATOM 0 H ASN A 37 8.919 -3.931 7.051 1.00 0.00 H new ATOM 0 HA ASN A 37 9.782 -4.336 9.694 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.670 -1.963 8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.187 -1.834 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.955 -1.856 6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.214 -1.881 6.515 1.00 0.00 H new ATOM 579 N GLY A 38 6.541 -3.649 9.334 1.00 0.00 N ATOM 580 CA GLY A 38 5.225 -3.650 9.966 1.00 0.00 C ATOM 581 C GLY A 38 4.571 -2.272 10.011 1.00 0.00 C ATOM 582 O GLY A 38 3.439 -2.154 10.477 1.00 0.00 O ATOM 0 H GLY A 38 6.507 -3.370 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.572 -4.336 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.319 -4.032 10.982 1.00 0.00 H new ATOM 586 N THR A 39 5.236 -1.237 9.499 1.00 0.00 N ATOM 587 CA THR A 39 4.737 0.141 9.492 1.00 0.00 C ATOM 588 C THR A 39 3.819 0.311 8.284 1.00 0.00 C ATOM 589 O THR A 39 3.973 1.239 7.491 1.00 0.00 O ATOM 590 CB THR A 39 5.907 1.145 9.568 1.00 0.00 C ATOM 591 OG1 THR A 39 5.521 2.492 9.376 1.00 0.00 O ATOM 592 CG2 THR A 39 7.016 0.808 8.577 1.00 0.00 C ATOM 0 H THR A 39 6.156 -1.333 9.068 1.00 0.00 H new ATOM 0 HA THR A 39 4.139 0.355 10.378 1.00 0.00 H new ATOM 0 HB THR A 39 6.278 1.046 10.588 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.902 2.550 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.818 1.541 8.666 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.407 -0.186 8.793 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.616 0.828 7.563 1.00 0.00 H new ATOM 600 N CYS A 40 2.852 -0.585 8.114 1.00 0.00 N ATOM 601 CA CYS A 40 1.913 -0.548 7.018 1.00 0.00 C ATOM 602 C CYS A 40 0.525 -0.848 7.563 1.00 0.00 C ATOM 603 O CYS A 40 0.359 -1.738 8.401 1.00 0.00 O ATOM 604 CB CYS A 40 2.382 -1.516 5.930 1.00 0.00 C ATOM 605 SG CYS A 40 1.135 -1.659 4.627 1.00 0.00 S ATOM 0 H CYS A 40 2.703 -1.368 8.750 1.00 0.00 H new ATOM 0 HA CYS A 40 1.862 0.436 6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.322 -1.166 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.575 -2.496 6.366 1.00 0.00 H new ATOM 0 HG CYS A 40 0.584 -0.499 4.424 1.00 0.00 H new ATOM 611 N GLY A 41 -0.454 -0.104 7.055 1.00 0.00 N ATOM 612 CA GLY A 41 -1.865 -0.355 7.198 1.00 0.00 C ATOM 613 C GLY A 41 -2.539 -0.416 5.827 1.00 0.00 C ATOM 614 O GLY A 41 -1.892 -0.305 4.781 1.00 0.00 O ATOM 0 H GLY A 41 -0.262 0.733 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.021 -1.294 7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.321 0.431 7.800 1.00 0.00 H new ATOM 618 N LEU A 42 -3.849 -0.628 5.836 1.00 0.00 N ATOM 619 CA LEU A 42 -4.717 -0.804 4.679 1.00 0.00 C ATOM 620 C LEU A 42 -5.761 0.299 4.704 1.00 0.00 C ATOM 621 O LEU A 42 -6.217 0.680 5.780 1.00 0.00 O ATOM 622 CB LEU A 42 -5.400 -2.179 4.820 1.00 0.00 C ATOM 623 CG LEU A 42 -6.438 -2.544 3.737 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.766 -2.977 2.428 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.339 -3.660 4.276 1.00 0.00 C ATOM 0 H LEU A 42 -4.368 -0.685 6.712 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.162 -0.757 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.626 -2.946 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.892 -2.218 5.792 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.034 -1.660 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.530 -3.225 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.148 -2.163 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.141 -3.851 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.078 -3.928 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.732 -4.533 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.849 -3.314 5.175 1.00 0.00 H new ATOM 637 N VAL A 43 -6.192 0.740 3.528 1.00 0.00 N ATOM 638 CA VAL A 43 -7.363 1.575 3.344 1.00 0.00 C ATOM 639 C VAL A 43 -8.269 0.899 2.319 1.00 0.00 C ATOM 640 O VAL A 43 -7.804 0.286 1.352 1.00 0.00 O ATOM 641 CB VAL A 43 -6.915 2.996 2.955 1.00 0.00 C ATOM 642 CG1 VAL A 43 -8.024 3.823 2.286 1.00 0.00 C ATOM 643 CG2 VAL A 43 -6.424 3.742 4.204 1.00 0.00 C ATOM 0 H VAL A 43 -5.719 0.517 2.652 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.943 1.685 4.260 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.114 2.879 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.641 4.813 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.352 3.322 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.867 3.921 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.107 4.747 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.233 3.804 4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.583 3.205 4.642 1.00 0.00 H new ATOM 653 N GLU A 44 -9.574 0.996 2.552 1.00 0.00 N ATOM 654 CA GLU A 44 -10.619 0.528 1.663 1.00 0.00 C ATOM 655 C GLU A 44 -10.601 1.300 0.360 1.00 0.00 C ATOM 656 O GLU A 44 -10.665 2.531 0.341 1.00 0.00 O ATOM 657 CB GLU A 44 -11.983 0.722 2.323 1.00 0.00 C ATOM 658 CG GLU A 44 -12.218 -0.226 3.492 1.00 0.00 C ATOM 659 CD GLU A 44 -13.655 -0.055 3.976 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.964 0.906 4.717 1.00 0.00 O ATOM 661 OE2 GLU A 44 -14.499 -0.885 3.573 1.00 0.00 O ATOM 0 H GLU A 44 -9.942 1.422 3.403 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.443 -0.528 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.068 1.751 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.765 0.573 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.043 -1.257 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.519 -0.011 4.300 1.00 0.00 H new ATOM 668 N LEU A 45 -10.580 0.549 -0.736 1.00 0.00 N ATOM 669 CA LEU A 45 -10.753 1.113 -2.058 1.00 0.00 C ATOM 670 C LEU A 45 -12.151 1.656 -2.243 1.00 0.00 C ATOM 671 O LEU A 45 -13.131 1.084 -1.765 1.00 0.00 O ATOM 672 CB LEU A 45 -10.451 0.056 -3.124 1.00 0.00 C ATOM 673 CG LEU A 45 -9.007 0.234 -3.586 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.529 -1.037 -4.280 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.893 1.455 -4.509 1.00 0.00 C ATOM 0 H LEU A 45 -10.443 -0.462 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.053 1.942 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.598 -0.945 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.134 0.162 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.367 0.411 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.498 -0.906 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.585 -1.874 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.162 -1.240 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.858 1.572 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.532 1.313 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.208 2.349 -3.971 1.00 0.00 H new ATOM 687 N GLU A 46 -12.216 2.733 -3.005 1.00 0.00 N ATOM 688 CA GLU A 46 -13.406 3.383 -3.501 1.00 0.00 C ATOM 689 C GLU A 46 -12.935 4.286 -4.643 1.00 0.00 C ATOM 690 O GLU A 46 -11.725 4.479 -4.838 1.00 0.00 O ATOM 691 CB GLU A 46 -14.068 4.186 -2.367 1.00 0.00 C ATOM 692 CG GLU A 46 -13.173 5.310 -1.864 1.00 0.00 C ATOM 693 CD GLU A 46 -13.758 6.048 -0.668 1.00 0.00 C ATOM 694 OE1 GLU A 46 -14.106 5.386 0.340 1.00 0.00 O ATOM 695 OE2 GLU A 46 -13.826 7.295 -0.729 1.00 0.00 O ATOM 0 H GLU A 46 -11.369 3.210 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.156 2.676 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.010 4.604 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.307 3.516 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.202 4.898 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.001 6.020 -2.673 1.00 0.00 H new ATOM 702 N LYS A 47 -13.869 4.891 -5.373 1.00 0.00 N ATOM 703 CA LYS A 47 -13.548 5.864 -6.411 1.00 0.00 C ATOM 704 C LYS A 47 -12.812 7.064 -5.809 1.00 0.00 C ATOM 705 O LYS A 47 -11.771 7.461 -6.324 1.00 0.00 O ATOM 706 CB LYS A 47 -14.849 6.227 -7.140 1.00 0.00 C ATOM 707 CG LYS A 47 -14.686 7.335 -8.184 1.00 0.00 C ATOM 708 CD LYS A 47 -15.666 7.109 -9.340 1.00 0.00 C ATOM 709 CE LYS A 47 -15.708 8.304 -10.293 1.00 0.00 C ATOM 710 NZ LYS A 47 -16.421 9.460 -9.718 1.00 0.00 N ATOM 0 H LYS A 47 -14.868 4.720 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.860 5.450 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -15.241 5.335 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.591 6.540 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.867 8.308 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.663 7.345 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.377 6.215 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.664 6.928 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.690 8.599 -10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.194 8.007 -11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.496 10.212 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.374 9.168 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.897 9.816 -8.894 1.00 0.00 H new ATOM 724 N GLY A 48 -13.314 7.612 -4.706 1.00 0.00 N ATOM 725 CA GLY A 48 -12.866 8.871 -4.130 1.00 0.00 C ATOM 726 C GLY A 48 -11.696 8.774 -3.150 1.00 0.00 C ATOM 727 O GLY A 48 -11.499 9.720 -2.389 1.00 0.00 O ATOM 0 H GLY A 48 -14.067 7.176 -4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.581 9.540 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.708 9.334 -3.616 1.00 0.00 H new ATOM 731 N VAL A 49 -10.894 7.704 -3.159 1.00 0.00 N ATOM 732 CA VAL A 49 -9.682 7.585 -2.351 1.00 0.00 C ATOM 733 C VAL A 49 -8.553 8.058 -3.242 1.00 0.00 C ATOM 734 O VAL A 49 -7.870 9.005 -2.889 1.00 0.00 O ATOM 735 CB VAL A 49 -9.563 6.117 -1.891 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.174 5.477 -1.776 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.210 6.005 -0.503 1.00 0.00 C ATOM 0 H VAL A 49 -11.074 6.884 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.675 8.186 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.047 5.569 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.276 4.445 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.683 5.496 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.575 6.035 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.141 4.976 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.691 6.663 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.258 6.297 -0.566 1.00 0.00 H new ATOM 747 N LEU A 50 -8.466 7.485 -4.443 1.00 0.00 N ATOM 748 CA LEU A 50 -7.583 7.870 -5.532 1.00 0.00 C ATOM 749 C LEU A 50 -7.320 9.381 -5.611 1.00 0.00 C ATOM 750 O LEU A 50 -6.172 9.785 -5.462 1.00 0.00 O ATOM 751 CB LEU A 50 -8.160 7.293 -6.840 1.00 0.00 C ATOM 752 CG LEU A 50 -7.690 5.858 -7.054 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.167 4.775 -6.110 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.934 5.372 -8.484 1.00 0.00 C ATOM 0 H LEU A 50 -9.051 6.688 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.594 7.449 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.249 7.322 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.851 7.911 -7.683 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.632 5.983 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.737 3.818 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.853 5.014 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.255 4.712 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.582 4.345 -8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.000 5.413 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.394 6.011 -9.183 1.00 0.00 H new ATOM 766 N PRO A 51 -8.331 10.249 -5.771 1.00 0.00 N ATOM 767 CA PRO A 51 -8.103 11.676 -5.941 1.00 0.00 C ATOM 768 C PRO A 51 -7.595 12.391 -4.672 1.00 0.00 C ATOM 769 O PRO A 51 -7.265 13.577 -4.753 1.00 0.00 O ATOM 770 CB PRO A 51 -9.441 12.223 -6.434 1.00 0.00 C ATOM 771 CG PRO A 51 -10.486 11.271 -5.862 1.00 0.00 C ATOM 772 CD PRO A 51 -9.747 9.944 -5.757 1.00 0.00 C ATOM 0 HA PRO A 51 -7.295 11.859 -6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.603 13.243 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.482 12.247 -7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.844 11.608 -4.889 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.357 11.194 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.020 9.421 -4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.009 9.289 -6.588 1.00 0.00 H new ATOM 780 N GLN A 52 -7.530 11.714 -3.520 1.00 0.00 N ATOM 781 CA GLN A 52 -6.981 12.194 -2.250 1.00 0.00 C ATOM 782 C GLN A 52 -5.638 11.525 -1.923 1.00 0.00 C ATOM 783 O GLN A 52 -5.046 11.828 -0.887 1.00 0.00 O ATOM 784 CB GLN A 52 -7.950 11.879 -1.096 1.00 0.00 C ATOM 785 CG GLN A 52 -9.403 12.292 -1.334 1.00 0.00 C ATOM 786 CD GLN A 52 -10.230 12.046 -0.079 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.416 12.938 0.747 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.771 10.858 0.076 1.00 0.00 N ATOM 0 H GLN A 52 -7.881 10.759 -3.447 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.837 13.269 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.921 10.807 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.591 12.376 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.449 13.346 -1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.818 11.727 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.607 10.129 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.355 10.666 0.890 1.00 0.00 H new ATOM 797 N LEU A 53 -5.195 10.577 -2.750 1.00 0.00 N ATOM 798 CA LEU A 53 -3.952 9.832 -2.617 1.00 0.00 C ATOM 799 C LEU A 53 -2.883 10.584 -3.409 1.00 0.00 C ATOM 800 O LEU A 53 -3.138 11.679 -3.920 1.00 0.00 O ATOM 801 CB LEU A 53 -4.188 8.378 -3.068 1.00 0.00 C ATOM 802 CG LEU A 53 -4.994 7.464 -2.109 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.107 6.336 -1.587 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.588 8.106 -0.855 1.00 0.00 C ATOM 0 H LEU A 53 -5.726 10.297 -3.574 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.601 9.763 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.704 8.401 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.216 7.915 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.823 7.149 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.684 5.701 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.744 5.741 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.259 6.759 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.124 7.352 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.787 8.526 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.278 8.899 -1.144 1.00 0.00 H new ATOM 816 N GLU A 54 -1.663 10.050 -3.459 1.00 0.00 N ATOM 817 CA GLU A 54 -0.627 10.626 -4.295 1.00 0.00 C ATOM 818 C GLU A 54 -0.931 10.271 -5.729 1.00 0.00 C ATOM 819 O GLU A 54 -1.604 11.049 -6.406 1.00 0.00 O ATOM 820 CB GLU A 54 0.773 10.225 -3.793 1.00 0.00 C ATOM 821 CG GLU A 54 1.192 11.001 -2.532 1.00 0.00 C ATOM 822 CD GLU A 54 1.312 12.525 -2.704 1.00 0.00 C ATOM 823 OE1 GLU A 54 1.200 13.074 -3.830 1.00 0.00 O ATOM 824 OE2 GLU A 54 1.521 13.214 -1.678 1.00 0.00 O ATOM 0 H GLU A 54 -1.376 9.225 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.619 11.714 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.786 9.156 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.503 10.401 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.468 10.797 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.152 10.614 -2.190 1.00 0.00 H new ATOM 831 N GLN A 55 -0.468 9.113 -6.182 1.00 0.00 N ATOM 832 CA GLN A 55 -0.745 8.630 -7.515 1.00 0.00 C ATOM 833 C GLN A 55 -0.338 7.170 -7.674 1.00 0.00 C ATOM 834 O GLN A 55 -1.178 6.413 -8.146 1.00 0.00 O ATOM 835 CB GLN A 55 -0.057 9.496 -8.582 1.00 0.00 C ATOM 836 CG GLN A 55 -0.940 10.498 -9.348 1.00 0.00 C ATOM 837 CD GLN A 55 -2.388 10.086 -9.562 1.00 0.00 C ATOM 838 OE1 GLN A 55 -3.319 10.847 -9.307 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.617 8.871 -10.027 1.00 0.00 N ATOM 0 H GLN A 55 0.113 8.484 -5.627 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.823 8.702 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.746 10.053 -8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.409 8.831 -9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.929 11.446 -8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.487 10.679 -10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.836 8.249 -10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.575 8.555 -10.178 1.00 0.00 H new ATOM 848 N PRO A 56 0.896 6.743 -7.332 1.00 0.00 N ATOM 849 CA PRO A 56 1.232 5.334 -7.338 1.00 0.00 C ATOM 850 C PRO A 56 0.516 4.672 -6.162 1.00 0.00 C ATOM 851 O PRO A 56 1.011 4.626 -5.032 1.00 0.00 O ATOM 852 CB PRO A 56 2.757 5.244 -7.332 1.00 0.00 C ATOM 853 CG PRO A 56 3.266 6.615 -6.885 1.00 0.00 C ATOM 854 CD PRO A 56 2.068 7.559 -7.042 1.00 0.00 C ATOM 0 HA PRO A 56 0.895 4.789 -8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.098 4.462 -6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.136 4.993 -8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.614 6.588 -5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.107 6.941 -7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.915 8.138 -6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.246 8.272 -7.847 1.00 0.00 H new ATOM 862 N TYR A 57 -0.713 4.238 -6.419 1.00 0.00 N ATOM 863 CA TYR A 57 -1.560 3.579 -5.440 1.00 0.00 C ATOM 864 C TYR A 57 -1.128 2.120 -5.338 1.00 0.00 C ATOM 865 O TYR A 57 -1.252 1.347 -6.293 1.00 0.00 O ATOM 866 CB TYR A 57 -3.038 3.678 -5.824 1.00 0.00 C ATOM 867 CG TYR A 57 -3.498 5.012 -6.371 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.229 6.224 -5.698 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.189 5.022 -7.590 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.638 7.456 -6.259 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.644 6.230 -8.123 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.381 7.449 -7.464 1.00 0.00 C ATOM 873 OH TYR A 57 -4.877 8.601 -7.984 1.00 0.00 O ATOM 0 H TYR A 57 -1.154 4.338 -7.333 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.448 4.072 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.251 2.911 -6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.637 3.443 -4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.709 6.210 -4.751 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.370 4.097 -8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.387 8.388 -5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.202 6.231 -9.048 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.293 9.129 -7.271 1.00 0.00 H new ATOM 883 N VAL A 58 -0.598 1.745 -4.181 1.00 0.00 N ATOM 884 CA VAL A 58 -0.151 0.394 -3.904 1.00 0.00 C ATOM 885 C VAL A 58 -1.367 -0.478 -3.561 1.00 0.00 C ATOM 886 O VAL A 58 -1.771 -0.591 -2.403 1.00 0.00 O ATOM 887 CB VAL A 58 0.926 0.465 -2.813 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.421 -0.916 -2.393 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.124 1.279 -3.340 1.00 0.00 C ATOM 0 H VAL A 58 -0.466 2.385 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 58 0.312 -0.083 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 58 0.477 0.940 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.182 -0.810 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.586 -1.499 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.849 -1.427 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.894 1.334 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.532 0.794 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.795 2.286 -3.596 1.00 0.00 H new ATOM 899 N PHE A 59 -1.985 -1.091 -4.568 1.00 0.00 N ATOM 900 CA PHE A 59 -3.134 -1.967 -4.400 1.00 0.00 C ATOM 901 C PHE A 59 -2.759 -3.359 -3.944 1.00 0.00 C ATOM 902 O PHE A 59 -1.613 -3.799 -4.037 1.00 0.00 O ATOM 903 CB PHE A 59 -3.860 -2.126 -5.738 1.00 0.00 C ATOM 904 CG PHE A 59 -4.420 -0.878 -6.356 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.088 0.067 -5.566 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.320 -0.697 -7.741 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.589 1.240 -6.157 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.926 0.415 -8.342 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.545 1.399 -7.552 1.00 0.00 C ATOM 0 H PHE A 59 -1.693 -0.989 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.758 -1.500 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.167 -2.576 -6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.678 -2.833 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.217 -0.105 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.778 -1.411 -8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.008 2.020 -5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.917 0.516 -9.417 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.984 2.271 -8.014 1.00 0.00 H new ATOM 919 N ILE A 60 -3.804 -4.080 -3.539 1.00 0.00 N ATOM 920 CA ILE A 60 -3.757 -5.489 -3.233 1.00 0.00 C ATOM 921 C ILE A 60 -4.894 -6.175 -3.979 1.00 0.00 C ATOM 922 O ILE A 60 -6.062 -5.808 -3.825 1.00 0.00 O ATOM 923 CB ILE A 60 -3.757 -5.700 -1.706 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.057 -5.288 -0.996 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.539 -4.990 -1.115 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.096 -5.717 0.468 1.00 0.00 C ATOM 0 H ILE A 60 -4.732 -3.676 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.832 -5.952 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.697 -6.774 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.170 -4.205 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.906 -5.726 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.525 -5.130 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.629 -5.407 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.593 -3.925 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.037 -5.398 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.013 -6.802 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.266 -5.258 1.004 1.00 0.00 H new ATOM 938 N LYS A 61 -4.571 -7.149 -4.829 1.00 0.00 N ATOM 939 CA LYS A 61 -5.573 -7.986 -5.489 1.00 0.00 C ATOM 940 C LYS A 61 -5.416 -9.423 -5.030 1.00 0.00 C ATOM 941 O LYS A 61 -4.337 -9.795 -4.582 1.00 0.00 O ATOM 942 CB LYS A 61 -5.623 -7.821 -7.014 1.00 0.00 C ATOM 943 CG LYS A 61 -4.349 -7.383 -7.708 1.00 0.00 C ATOM 944 CD LYS A 61 -4.542 -7.406 -9.239 1.00 0.00 C ATOM 945 CE LYS A 61 -3.340 -8.141 -9.810 1.00 0.00 C ATOM 946 NZ LYS A 61 -3.485 -8.541 -11.226 1.00 0.00 N ATOM 0 H LYS A 61 -3.610 -7.380 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.557 -7.637 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.932 -8.773 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.402 -7.096 -7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.076 -6.379 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.528 -8.043 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.470 -7.912 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.604 -6.394 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.461 -7.504 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.156 -9.032 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.823 -9.315 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.459 -8.862 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.275 -7.728 -11.840 1.00 0.00 H new ATOM 960 N ARG A 62 -6.493 -10.212 -5.085 1.00 0.00 N ATOM 961 CA ARG A 62 -6.541 -11.638 -4.713 1.00 0.00 C ATOM 962 C ARG A 62 -5.774 -12.471 -5.735 1.00 0.00 C ATOM 963 O ARG A 62 -6.365 -13.226 -6.507 1.00 0.00 O ATOM 964 CB ARG A 62 -7.978 -12.159 -4.472 1.00 0.00 C ATOM 965 CG ARG A 62 -9.024 -11.412 -5.293 1.00 0.00 C ATOM 966 CD ARG A 62 -10.409 -12.059 -5.322 1.00 0.00 C ATOM 967 NE ARG A 62 -10.483 -13.169 -6.296 1.00 0.00 N ATOM 968 CZ ARG A 62 -11.574 -13.911 -6.544 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.721 -13.656 -5.928 1.00 0.00 N ATOM 970 NH2 ARG A 62 -11.520 -14.918 -7.406 1.00 0.00 N ATOM 0 H ARG A 62 -7.397 -9.864 -5.403 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.046 -11.744 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.021 -13.220 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.220 -12.067 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.120 -10.401 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.662 -11.320 -6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.655 -12.432 -4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.156 -11.306 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.637 -13.389 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.781 -12.889 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.543 -14.227 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.646 -15.133 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.353 -15.477 -7.589 1.00 0.00 H new ATOM 984 N SER A 63 -4.456 -12.311 -5.679 1.00 0.00 N ATOM 985 CA SER A 63 -3.442 -12.825 -6.584 1.00 0.00 C ATOM 986 C SER A 63 -3.999 -12.740 -8.017 1.00 0.00 C ATOM 987 O SER A 63 -4.587 -11.724 -8.405 1.00 0.00 O ATOM 988 CB SER A 63 -2.983 -14.216 -6.076 1.00 0.00 C ATOM 989 OG SER A 63 -1.617 -14.466 -6.358 1.00 0.00 O ATOM 0 H SER A 63 -4.034 -11.766 -4.927 1.00 0.00 H new ATOM 0 HA SER A 63 -2.524 -12.238 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.148 -14.280 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.595 -14.990 -6.539 1.00 0.00 H new ATOM 0 HG SER A 63 -1.446 -15.430 -6.321 1.00 0.00 H new ATOM 995 N ASP A 64 -3.879 -13.829 -8.767 1.00 0.00 N ATOM 996 CA ASP A 64 -4.847 -14.241 -9.766 1.00 0.00 C ATOM 997 C ASP A 64 -5.087 -15.734 -9.506 1.00 0.00 C ATOM 998 O ASP A 64 -4.258 -16.376 -8.847 1.00 0.00 O ATOM 999 CB ASP A 64 -4.306 -13.958 -11.174 1.00 0.00 C ATOM 1000 CG ASP A 64 -5.420 -13.950 -12.222 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -5.955 -15.032 -12.561 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -5.750 -12.862 -12.742 1.00 0.00 O ATOM 0 H ASP A 64 -3.084 -14.464 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.786 -13.692 -9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.795 -12.995 -11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.566 -14.713 -11.437 1.00 0.00 H new ATOM 1007 N ALA A 65 -6.180 -16.289 -10.036 1.00 0.00 N ATOM 1008 CA ALA A 65 -6.533 -17.706 -10.041 1.00 0.00 C ATOM 1009 C ALA A 65 -6.492 -18.369 -8.659 1.00 0.00 C ATOM 1010 O ALA A 65 -5.585 -19.153 -8.352 1.00 0.00 O ATOM 1011 CB ALA A 65 -5.651 -18.430 -11.061 1.00 0.00 C ATOM 0 H ALA A 65 -6.887 -15.721 -10.503 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.579 -17.786 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.905 -19.490 -11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.816 -18.005 -12.051 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.603 -18.311 -10.785 1.00 0.00 H new ATOM 1017 N LEU A 66 -7.526 -18.100 -7.853 1.00 0.00 N ATOM 1018 CA LEU A 66 -7.668 -18.591 -6.487 1.00 0.00 C ATOM 1019 C LEU A 66 -9.085 -19.114 -6.236 1.00 0.00 C ATOM 1020 O LEU A 66 -9.891 -18.427 -5.601 1.00 0.00 O ATOM 1021 CB LEU A 66 -7.360 -17.471 -5.482 1.00 0.00 C ATOM 1022 CG LEU A 66 -5.972 -16.830 -5.554 1.00 0.00 C ATOM 1023 CD1 LEU A 66 -5.995 -15.706 -4.524 1.00 0.00 C ATOM 1024 CD2 LEU A 66 -4.845 -17.819 -5.243 1.00 0.00 C ATOM 0 H LEU A 66 -8.309 -17.516 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.960 -19.409 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.103 -16.684 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.496 -17.872 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.769 -16.473 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.030 -15.198 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.778 -14.993 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.193 -16.122 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.884 -17.308 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.976 -18.216 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.871 -18.638 -5.962 1.00 0.00 H new ATOM 1036 N SER A 67 -9.416 -20.317 -6.699 1.00 0.00 N ATOM 1037 CA SER A 67 -10.676 -20.959 -6.331 1.00 0.00 C ATOM 1038 C SER A 67 -10.486 -21.845 -5.092 1.00 0.00 C ATOM 1039 O SER A 67 -11.322 -21.809 -4.188 1.00 0.00 O ATOM 1040 CB SER A 67 -11.224 -21.730 -7.538 1.00 0.00 C ATOM 1041 OG SER A 67 -12.502 -22.297 -7.292 1.00 0.00 O ATOM 0 H SER A 67 -8.831 -20.866 -7.328 1.00 0.00 H new ATOM 0 HA SER A 67 -11.415 -20.206 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.288 -21.059 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.525 -22.522 -7.806 1.00 0.00 H new ATOM 0 HG SER A 67 -12.807 -22.775 -8.091 1.00 0.00 H new ATOM 1047 N THR A 68 -9.414 -22.632 -5.016 1.00 0.00 N ATOM 1048 CA THR A 68 -9.336 -23.784 -4.124 1.00 0.00 C ATOM 1049 C THR A 68 -9.159 -23.376 -2.648 1.00 0.00 C ATOM 1050 O THR A 68 -8.676 -22.280 -2.347 1.00 0.00 O ATOM 1051 CB THR A 68 -8.201 -24.696 -4.629 1.00 0.00 C ATOM 1052 OG1 THR A 68 -8.251 -24.815 -6.038 1.00 0.00 O ATOM 1053 CG2 THR A 68 -8.214 -26.117 -4.054 1.00 0.00 C ATOM 0 H THR A 68 -8.573 -22.487 -5.574 1.00 0.00 H new ATOM 0 HA THR A 68 -10.279 -24.330 -4.146 1.00 0.00 H new ATOM 0 HB THR A 68 -7.289 -24.206 -4.287 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.523 -25.396 -6.343 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.379 -26.684 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.121 -26.071 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.151 -26.607 -4.317 1.00 0.00 H new ATOM 1061 N ASN A 69 -9.489 -24.296 -1.729 1.00 0.00 N ATOM 1062 CA ASN A 69 -9.397 -24.145 -0.269 1.00 0.00 C ATOM 1063 C ASN A 69 -8.033 -23.676 0.236 1.00 0.00 C ATOM 1064 O ASN A 69 -7.962 -23.036 1.285 1.00 0.00 O ATOM 1065 CB ASN A 69 -9.691 -25.489 0.441 1.00 0.00 C ATOM 1066 CG ASN A 69 -11.165 -25.819 0.603 1.00 0.00 C ATOM 1067 OD1 ASN A 69 -12.012 -24.936 0.583 1.00 0.00 O ATOM 1068 ND2 ASN A 69 -11.495 -27.084 0.803 1.00 0.00 N ATOM 0 H ASN A 69 -9.846 -25.213 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.136 -23.379 -0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.214 -26.292 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.227 -25.471 1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.472 -27.340 0.945 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.772 -27.804 0.816 1.00 0.00 H new ATOM 1075 N HIS A 70 -6.943 -24.070 -0.426 1.00 0.00 N ATOM 1076 CA HIS A 70 -5.605 -23.748 0.053 1.00 0.00 C ATOM 1077 C HIS A 70 -5.376 -22.247 -0.119 1.00 0.00 C ATOM 1078 O HIS A 70 -5.700 -21.707 -1.181 1.00 0.00 O ATOM 1079 CB HIS A 70 -4.531 -24.529 -0.723 1.00 0.00 C ATOM 1080 CG HIS A 70 -4.783 -26.003 -0.932 1.00 0.00 C ATOM 1081 ND1 HIS A 70 -4.251 -26.757 -1.956 1.00 0.00 N ATOM 1082 CD2 HIS A 70 -5.506 -26.845 -0.130 1.00 0.00 C ATOM 1083 CE1 HIS A 70 -4.654 -28.025 -1.787 1.00 0.00 C ATOM 1084 NE2 HIS A 70 -5.434 -28.124 -0.694 1.00 0.00 N ATOM 0 H HIS A 70 -6.964 -24.610 -1.291 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.527 -24.029 1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.411 -24.062 -1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.583 -24.417 -0.198 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.034 -26.572 0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.391 -28.848 -2.435 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.886 -28.969 -0.344 1.00 0.00 H new ATOM 1092 N GLY A 71 -4.762 -21.593 0.867 1.00 0.00 N ATOM 1093 CA GLY A 71 -4.428 -20.182 0.777 1.00 0.00 C ATOM 1094 C GLY A 71 -5.686 -19.339 0.951 1.00 0.00 C ATOM 1095 O GLY A 71 -6.380 -19.027 -0.019 1.00 0.00 O ATOM 0 H GLY A 71 -4.485 -22.030 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.697 -19.923 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.968 -19.969 -0.188 1.00 0.00 H new ATOM 1099 N HIS A 72 -5.983 -18.995 2.201 1.00 0.00 N ATOM 1100 CA HIS A 72 -7.201 -18.323 2.638 1.00 0.00 C ATOM 1101 C HIS A 72 -7.275 -16.888 2.108 1.00 0.00 C ATOM 1102 O HIS A 72 -6.843 -15.951 2.779 1.00 0.00 O ATOM 1103 CB HIS A 72 -7.267 -18.376 4.170 1.00 0.00 C ATOM 1104 CG HIS A 72 -7.338 -19.793 4.679 1.00 0.00 C ATOM 1105 ND1 HIS A 72 -8.459 -20.598 4.745 1.00 0.00 N ATOM 1106 CD2 HIS A 72 -6.258 -20.554 5.030 1.00 0.00 C ATOM 1107 CE1 HIS A 72 -8.053 -21.824 5.119 1.00 0.00 C ATOM 1108 NE2 HIS A 72 -6.717 -21.851 5.265 1.00 0.00 N ATOM 0 H HIS A 72 -5.348 -19.188 2.975 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.069 -18.838 2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.390 -17.883 4.589 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.140 -17.822 4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.236 -20.214 5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.708 -22.668 5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.148 -22.664 5.502 1.00 0.00 H new ATOM 1116 N LYS A 73 -7.818 -16.720 0.897 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.792 -15.495 0.094 1.00 0.00 C ATOM 1118 C LYS A 73 -6.431 -14.805 0.180 1.00 0.00 C ATOM 1119 O LYS A 73 -6.240 -13.797 0.872 1.00 0.00 O ATOM 1120 CB LYS A 73 -8.938 -14.547 0.452 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.330 -15.105 0.134 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.299 -13.923 0.146 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.772 -14.313 -0.010 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.364 -14.893 1.216 1.00 0.00 N ATOM 0 H LYS A 73 -8.314 -17.477 0.426 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.945 -15.786 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.885 -14.315 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.802 -13.609 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.335 -15.598 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.624 -15.852 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.177 -13.378 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.029 -13.239 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.344 -13.431 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.865 -15.032 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.360 -15.134 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.842 -15.753 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.307 -14.201 1.990 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.470 -15.396 -0.520 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.143 -14.827 -0.665 1.00 0.00 C ATOM 1140 C VAL A 74 -4.241 -13.585 -1.546 1.00 0.00 C ATOM 1141 O VAL A 74 -5.164 -13.484 -2.356 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.143 -15.887 -1.176 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.429 -17.280 -0.570 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -2.989 -16.084 -2.674 1.00 0.00 C ATOM 0 H VAL A 74 -5.593 -16.286 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.748 -14.511 0.300 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.205 -15.445 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.705 -17.999 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.349 -17.228 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.435 -17.597 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.250 -16.863 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.947 -16.380 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.659 -15.151 -3.132 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.300 -12.655 -1.406 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.268 -11.445 -2.216 1.00 0.00 C ATOM 1156 C VAL A 75 -1.858 -11.268 -2.772 1.00 0.00 C ATOM 1157 O VAL A 75 -0.997 -12.133 -2.572 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.846 -10.229 -1.450 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.212 -10.558 -0.832 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -2.954 -9.652 -0.354 1.00 0.00 C ATOM 0 H VAL A 75 -2.540 -12.721 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.931 -11.533 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.929 -9.463 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.591 -9.685 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.911 -10.835 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.105 -11.388 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.456 -8.806 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.756 -10.419 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.012 -9.319 -0.789 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.631 -10.198 -3.520 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.332 -9.762 -4.000 1.00 0.00 C ATOM 1172 C GLU A 76 -0.219 -8.259 -3.719 1.00 0.00 C ATOM 1173 O GLU A 76 -1.229 -7.609 -3.424 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.158 -10.066 -5.502 1.00 0.00 C ATOM 1175 CG GLU A 76 -1.269 -9.541 -6.413 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.945 -9.865 -7.870 1.00 0.00 C ATOM 1177 OE1 GLU A 76 -0.046 -9.235 -8.466 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -1.533 -10.822 -8.421 1.00 0.00 O ATOM 0 H GLU A 76 -2.386 -9.582 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 76 0.462 -10.303 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.790 -9.642 -5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.087 -11.146 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.222 -9.991 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.376 -8.464 -6.286 1.00 0.00 H new ATOM 1185 N LEU A 77 0.987 -7.707 -3.836 1.00 0.00 N ATOM 1186 CA LEU A 77 1.260 -6.281 -3.931 1.00 0.00 C ATOM 1187 C LEU A 77 1.203 -5.911 -5.405 1.00 0.00 C ATOM 1188 O LEU A 77 1.849 -6.551 -6.238 1.00 0.00 O ATOM 1189 CB LEU A 77 2.666 -5.949 -3.387 1.00 0.00 C ATOM 1190 CG LEU A 77 2.720 -5.483 -1.921 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.173 -5.212 -1.508 1.00 0.00 C ATOM 1192 CD2 LEU A 77 1.964 -4.177 -1.687 1.00 0.00 C ATOM 0 H LEU A 77 1.837 -8.270 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 77 0.529 -5.725 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.294 -6.833 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.104 -5.171 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 77 2.263 -6.283 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.201 -4.883 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.758 -6.125 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.594 -4.435 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.037 -3.898 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.399 -3.390 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.916 -4.310 -1.955 1.00 0.00 H new ATOM 1204 N VAL A 78 0.454 -4.864 -5.722 1.00 0.00 N ATOM 1205 CA VAL A 78 0.384 -4.257 -7.045 1.00 0.00 C ATOM 1206 C VAL A 78 0.557 -2.763 -6.819 1.00 0.00 C ATOM 1207 O VAL A 78 0.378 -2.270 -5.706 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.939 -4.634 -7.745 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.989 -4.367 -9.251 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.252 -6.110 -7.562 1.00 0.00 C ATOM 0 H VAL A 78 -0.144 -4.397 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 78 1.161 -4.617 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.668 -3.983 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.961 -4.668 -9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.836 -3.304 -9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.206 -4.939 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.189 -6.348 -8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.448 -6.708 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.344 -6.333 -6.499 1.00 0.00 H new ATOM 1220 N ALA A 79 0.962 -2.034 -7.843 1.00 0.00 N ATOM 1221 CA ALA A 79 1.156 -0.598 -7.779 1.00 0.00 C ATOM 1222 C ALA A 79 0.678 -0.077 -9.113 1.00 0.00 C ATOM 1223 O ALA A 79 1.037 -0.641 -10.149 1.00 0.00 O ATOM 1224 CB ALA A 79 2.630 -0.261 -7.505 1.00 0.00 C ATOM 0 H ALA A 79 1.169 -2.431 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 79 0.602 -0.134 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.754 0.821 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.933 -0.700 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.250 -0.665 -8.305 1.00 0.00 H new ATOM 1230 N GLU A 80 -0.199 0.914 -9.085 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.858 1.415 -10.275 1.00 0.00 C ATOM 1232 C GLU A 80 -0.738 2.931 -10.260 1.00 0.00 C ATOM 1233 O GLU A 80 -1.102 3.546 -9.260 1.00 0.00 O ATOM 1234 CB GLU A 80 -2.305 0.905 -10.337 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.659 0.277 -11.697 1.00 0.00 C ATOM 1236 CD GLU A 80 -2.123 1.135 -12.838 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.470 2.338 -12.869 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.327 0.591 -13.639 1.00 0.00 O ATOM 0 H GLU A 80 -0.474 1.395 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.387 1.047 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.459 0.167 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.986 1.732 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.239 -0.727 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.741 0.176 -11.787 1.00 0.00 H new ATOM 1245 N MET A 81 -0.168 3.506 -11.323 1.00 0.00 N ATOM 1246 CA MET A 81 0.173 4.923 -11.368 1.00 0.00 C ATOM 1247 C MET A 81 -1.059 5.815 -11.537 1.00 0.00 C ATOM 1248 O MET A 81 -0.971 6.999 -11.215 1.00 0.00 O ATOM 1249 CB MET A 81 1.248 5.181 -12.441 1.00 0.00 C ATOM 1250 CG MET A 81 0.773 5.432 -13.880 1.00 0.00 C ATOM 1251 SD MET A 81 0.241 7.129 -14.273 1.00 0.00 S ATOM 1252 CE MET A 81 1.750 8.097 -13.994 1.00 0.00 C ATOM 0 H MET A 81 0.069 2.998 -12.175 1.00 0.00 H new ATOM 0 HA MET A 81 0.597 5.199 -10.403 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.836 6.043 -12.126 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.921 4.324 -12.454 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.582 5.162 -14.559 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.057 4.757 -14.088 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.653 9.070 -14.476 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.900 8.236 -12.923 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.605 7.567 -14.414 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.181 5.263 -12.020 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.435 5.988 -12.288 1.00 0.00 C ATOM 1264 C ASP A 82 -4.667 5.158 -11.903 1.00 0.00 C ATOM 1265 O ASP A 82 -5.813 5.510 -12.185 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.486 6.329 -13.783 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.436 7.464 -14.156 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -5.066 8.099 -13.277 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -4.505 7.761 -15.373 1.00 0.00 O ATOM 0 H ASP A 82 -2.245 4.270 -12.242 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.452 6.894 -11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.482 6.593 -14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.779 5.435 -14.334 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.435 3.999 -11.291 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.438 2.980 -11.064 1.00 0.00 C ATOM 1276 C GLY A 83 -6.107 2.535 -12.362 1.00 0.00 C ATOM 1277 O GLY A 83 -7.333 2.531 -12.477 1.00 0.00 O ATOM 0 H GLY A 83 -3.515 3.743 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.977 2.119 -10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.195 3.363 -10.379 1.00 0.00 H new ATOM 1281 N ILE A 84 -5.275 2.119 -13.315 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.513 1.276 -14.488 1.00 0.00 C ATOM 1283 C ILE A 84 -6.289 -0.019 -14.186 1.00 0.00 C ATOM 1284 O ILE A 84 -5.761 -1.135 -14.194 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.300 1.180 -15.437 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.891 2.607 -15.893 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.662 0.323 -16.663 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.418 2.745 -16.277 1.00 0.00 C ATOM 0 H ILE A 84 -4.295 2.400 -13.279 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.235 1.807 -15.109 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.466 0.713 -14.914 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.506 2.893 -16.746 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.113 3.310 -15.090 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.802 0.259 -17.329 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.944 -0.678 -16.337 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.498 0.780 -17.193 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.216 3.772 -16.583 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.793 2.493 -15.420 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.192 2.069 -17.102 1.00 0.00 H new ATOM 1300 N GLN A 85 -7.539 0.163 -13.782 1.00 0.00 N ATOM 1301 CA GLN A 85 -8.646 -0.771 -13.713 1.00 0.00 C ATOM 1302 C GLN A 85 -8.722 -1.318 -12.300 1.00 0.00 C ATOM 1303 O GLN A 85 -9.475 -0.762 -11.514 1.00 0.00 O ATOM 1304 CB GLN A 85 -8.651 -1.867 -14.797 1.00 0.00 C ATOM 1305 CG GLN A 85 -8.452 -1.317 -16.217 1.00 0.00 C ATOM 1306 CD GLN A 85 -8.371 -2.413 -17.275 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -7.443 -2.431 -18.082 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -9.333 -3.319 -17.314 1.00 0.00 N ATOM 0 H GLN A 85 -7.832 1.084 -13.456 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.558 -0.222 -13.945 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.862 -2.587 -14.580 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.597 -2.407 -14.753 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.276 -0.646 -16.459 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.538 -0.723 -16.246 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.093 -3.285 -16.635 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.315 -4.052 -18.023 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.976 -2.379 -11.972 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.423 -2.696 -10.651 1.00 0.00 C ATOM 1319 C TYR A 86 -8.158 -2.058 -9.468 1.00 0.00 C ATOM 1320 O TYR A 86 -9.031 -2.714 -8.898 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.900 -2.502 -10.663 1.00 0.00 C ATOM 1322 CG TYR A 86 -5.099 -3.575 -11.409 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -5.703 -4.734 -11.951 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.703 -3.429 -11.530 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -4.933 -5.717 -12.587 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.923 -4.403 -12.185 1.00 0.00 C ATOM 1327 CZ TYR A 86 -3.542 -5.553 -12.718 1.00 0.00 C ATOM 1328 OH TYR A 86 -2.824 -6.558 -13.291 1.00 0.00 O ATOM 0 H TYR A 86 -7.727 -3.084 -12.666 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.611 -3.753 -10.461 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.679 -1.533 -11.111 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.549 -2.464 -9.632 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.772 -4.863 -11.873 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.222 -2.556 -11.114 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.409 -6.604 -12.978 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.855 -4.269 -12.279 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.877 -6.309 -13.318 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.831 -0.816 -9.095 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.438 -0.079 -7.987 1.00 0.00 C ATOM 1340 C GLY A 87 -9.965 -0.187 -7.935 1.00 0.00 C ATOM 1341 O GLY A 87 -10.554 -0.349 -6.867 1.00 0.00 O ATOM 0 H GLY A 87 -7.109 -0.279 -9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.025 -0.448 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.160 0.972 -8.067 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.630 -0.160 -9.086 1.00 0.00 N ATOM 1346 CA ARG A 88 -12.078 -0.218 -9.219 1.00 0.00 C ATOM 1347 C ARG A 88 -12.507 -1.569 -9.771 1.00 0.00 C ATOM 1348 O ARG A 88 -13.313 -1.639 -10.704 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.536 0.987 -10.057 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.911 1.498 -9.633 1.00 0.00 C ATOM 1351 CD ARG A 88 -15.069 1.110 -10.559 1.00 0.00 C ATOM 1352 NE ARG A 88 -16.149 2.107 -10.455 1.00 0.00 N ATOM 1353 CZ ARG A 88 -16.788 2.488 -9.344 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -16.746 1.762 -8.232 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -17.463 3.623 -9.368 1.00 0.00 N ATOM 0 H ARG A 88 -10.154 -0.095 -9.986 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.571 -0.141 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.807 1.791 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.564 0.705 -11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.127 1.123 -8.632 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.871 2.585 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.718 1.048 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.446 0.123 -10.291 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.440 2.555 -11.324 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.217 0.890 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.243 2.076 -7.399 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.487 4.184 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.960 3.938 -8.535 1.00 0.00 H new ATOM 1369 N SER A 89 -11.971 -2.652 -9.213 1.00 0.00 N ATOM 1370 CA SER A 89 -12.329 -4.007 -9.587 1.00 0.00 C ATOM 1371 C SER A 89 -12.546 -4.850 -8.336 1.00 0.00 C ATOM 1372 O SER A 89 -11.948 -4.594 -7.292 1.00 0.00 O ATOM 1373 CB SER A 89 -11.216 -4.582 -10.469 1.00 0.00 C ATOM 1374 OG SER A 89 -11.645 -5.776 -11.086 1.00 0.00 O ATOM 0 H SER A 89 -11.266 -2.606 -8.478 1.00 0.00 H new ATOM 0 HA SER A 89 -13.261 -4.013 -10.151 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.933 -3.854 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.329 -4.775 -9.866 1.00 0.00 H new ATOM 0 HG SER A 89 -10.925 -6.131 -11.648 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.368 -5.896 -8.451 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.657 -6.821 -7.361 1.00 0.00 C ATOM 1382 C GLY A 90 -12.541 -7.833 -7.136 1.00 0.00 C ATOM 1383 O GLY A 90 -12.583 -8.576 -6.157 1.00 0.00 O ATOM 0 H GLY A 90 -13.856 -6.124 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.819 -6.255 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.585 -7.351 -7.577 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.530 -7.874 -8.004 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.286 -8.568 -7.698 1.00 0.00 C ATOM 1389 C ILE A 91 -9.504 -7.818 -6.622 1.00 0.00 C ATOM 1390 O ILE A 91 -8.652 -8.423 -5.974 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.476 -8.759 -8.992 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.383 -9.816 -8.846 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.916 -7.460 -9.586 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.665 -10.206 -10.143 1.00 0.00 C ATOM 0 H ILE A 91 -11.551 -7.434 -8.924 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.503 -9.556 -7.292 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.205 -9.126 -9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.641 -9.451 -8.136 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.825 -10.713 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.359 -7.686 -10.495 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.738 -6.784 -9.822 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.253 -6.986 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.910 -10.962 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.388 -10.608 -10.853 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.186 -9.326 -10.572 1.00 0.00 H new ATOM 1406 N THR A 92 -9.773 -6.529 -6.410 1.00 0.00 N ATOM 1407 CA THR A 92 -8.917 -5.693 -5.598 1.00 0.00 C ATOM 1408 C THR A 92 -9.617 -5.387 -4.284 1.00 0.00 C ATOM 1409 O THR A 92 -10.834 -5.161 -4.238 1.00 0.00 O ATOM 1410 CB THR A 92 -8.514 -4.438 -6.374 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.141 -4.813 -7.682 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.305 -3.727 -5.768 1.00 0.00 C ATOM 0 H THR A 92 -10.585 -6.048 -6.797 1.00 0.00 H new ATOM 0 HA THR A 92 -7.990 -6.214 -5.358 1.00 0.00 H new ATOM 0 HB THR A 92 -9.372 -3.766 -6.349 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.479 -4.151 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.067 -2.845 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.535 -3.426 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.450 -4.403 -5.763 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.851 -5.406 -3.196 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.386 -5.226 -1.858 1.00 0.00 C ATOM 1422 C LEU A 93 -9.240 -3.755 -1.465 1.00 0.00 C ATOM 1423 O LEU A 93 -10.257 -3.076 -1.293 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.757 -6.187 -0.847 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.526 -7.635 -1.320 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -7.935 -8.416 -0.151 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.809 -8.332 -1.792 1.00 0.00 C ATOM 0 H LEU A 93 -7.841 -5.547 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.446 -5.480 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.798 -5.774 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.394 -6.215 0.037 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.855 -7.605 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.759 -9.448 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.992 -7.961 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.631 -8.398 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.575 -9.348 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.527 -8.365 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.237 -7.779 -2.628 1.00 0.00 H new ATOM 1439 N GLY A 94 -8.004 -3.240 -1.427 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.687 -1.929 -0.864 1.00 0.00 C ATOM 1441 C GLY A 94 -6.370 -1.382 -1.409 1.00 0.00 C ATOM 1442 O GLY A 94 -5.783 -1.974 -2.319 1.00 0.00 O ATOM 0 H GLY A 94 -7.188 -3.732 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.493 -1.231 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.628 -2.004 0.222 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.923 -0.255 -0.850 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.609 0.347 -1.072 1.00 0.00 C ATOM 1448 C VAL A 95 -3.858 0.269 0.260 1.00 0.00 C ATOM 1449 O VAL A 95 -4.411 0.614 1.307 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.732 1.808 -1.587 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.363 2.476 -1.793 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.482 1.978 -2.900 1.00 0.00 C ATOM 0 H VAL A 95 -6.494 0.286 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.062 -0.189 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.304 2.281 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.506 3.495 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.823 2.498 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.788 1.909 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.510 3.034 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.974 1.417 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.500 1.605 -2.789 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.623 -0.229 0.236 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.695 -0.222 1.347 1.00 0.00 C ATOM 1464 C LEU A 96 -1.031 1.140 1.463 1.00 0.00 C ATOM 1465 O LEU A 96 -0.755 1.824 0.476 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.635 -1.305 1.122 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.988 -2.658 1.759 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.467 -3.049 1.751 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.142 -3.777 1.154 1.00 0.00 C ATOM 0 H LEU A 96 -2.232 -0.666 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.234 -0.426 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.493 -1.444 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.316 -0.960 1.528 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.751 -2.519 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.589 -4.022 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.044 -2.303 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.824 -3.102 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.408 -4.726 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.327 -3.834 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.914 -3.570 1.329 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.740 1.501 2.702 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.257 2.799 3.137 1.00 0.00 C ATOM 1483 C VAL A 97 0.597 2.585 4.384 1.00 0.00 C ATOM 1484 O VAL A 97 0.533 1.500 4.974 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.472 3.680 3.463 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.235 4.075 2.187 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.456 3.015 4.454 1.00 0.00 C ATOM 0 H VAL A 97 -0.842 0.851 3.481 1.00 0.00 H new ATOM 0 HA VAL A 97 0.340 3.286 2.366 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.065 4.571 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.089 4.698 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.572 4.631 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.585 3.176 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.292 3.688 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.829 2.084 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.941 2.804 5.391 1.00 0.00 H new ATOM 1497 N PRO A 98 1.401 3.562 4.816 1.00 0.00 N ATOM 1498 CA PRO A 98 2.066 3.454 6.099 1.00 0.00 C ATOM 1499 C PRO A 98 1.069 3.399 7.263 1.00 0.00 C ATOM 1500 O PRO A 98 0.018 4.041 7.218 1.00 0.00 O ATOM 1501 CB PRO A 98 2.988 4.661 6.216 1.00 0.00 C ATOM 1502 CG PRO A 98 3.072 5.246 4.808 1.00 0.00 C ATOM 1503 CD PRO A 98 1.869 4.702 4.044 1.00 0.00 C ATOM 0 HA PRO A 98 2.630 2.523 6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.592 5.391 6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 98 3.973 4.369 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.053 6.335 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.004 4.957 4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.090 5.458 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.148 4.404 3.033 1.00 0.00 H new ATOM 1511 N HIS A 99 1.426 2.679 8.331 1.00 0.00 N ATOM 1512 CA HIS A 99 0.859 2.856 9.662 1.00 0.00 C ATOM 1513 C HIS A 99 1.843 3.684 10.483 1.00 0.00 C ATOM 1514 O HIS A 99 2.894 3.174 10.869 1.00 0.00 O ATOM 1515 CB HIS A 99 0.604 1.501 10.348 1.00 0.00 C ATOM 1516 CG HIS A 99 0.298 1.631 11.825 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.066 1.107 12.843 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.681 2.399 12.406 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.555 1.531 14.010 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.530 2.299 13.793 1.00 0.00 N ATOM 0 H HIS A 99 2.131 1.944 8.289 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.102 3.364 9.584 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.229 1.001 9.853 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.480 0.865 10.219 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.432 2.976 11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.956 1.291 14.983 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.126 2.725 14.503 1.00 0.00 H new ATOM 1528 N VAL A 100 1.498 4.934 10.777 1.00 0.00 N ATOM 1529 CA VAL A 100 2.246 5.836 11.644 1.00 0.00 C ATOM 1530 C VAL A 100 1.361 6.134 12.866 1.00 0.00 C ATOM 1531 O VAL A 100 1.037 7.270 13.202 1.00 0.00 O ATOM 1532 CB VAL A 100 2.806 7.004 10.785 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.310 8.242 11.535 1.00 0.00 C ATOM 1534 CG2 VAL A 100 4.007 6.458 9.981 1.00 0.00 C ATOM 0 H VAL A 100 0.653 5.364 10.401 1.00 0.00 H new ATOM 0 HA VAL A 100 3.156 5.428 12.085 1.00 0.00 H new ATOM 0 HB VAL A 100 1.957 7.342 10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.673 8.979 10.818 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.495 8.672 12.117 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.122 7.957 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.425 7.254 9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.770 6.093 10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.675 5.641 9.341 1.00 0.00 H new ATOM 1544 N GLY A 101 0.965 5.064 13.560 1.00 0.00 N ATOM 1545 CA GLY A 101 0.495 5.140 14.935 1.00 0.00 C ATOM 1546 C GLY A 101 -0.917 5.691 15.119 1.00 0.00 C ATOM 1547 O GLY A 101 -1.268 5.995 16.260 1.00 0.00 O ATOM 0 H GLY A 101 0.963 4.119 13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.536 4.141 15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.186 5.763 15.503 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.701 5.861 14.051 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.904 6.695 14.038 1.00 0.00 C ATOM 1553 C GLU A 102 -4.082 6.029 14.762 1.00 0.00 C ATOM 1554 O GLU A 102 -4.110 5.997 15.987 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.263 7.025 12.577 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.161 7.721 11.781 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.843 9.151 12.229 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -2.557 9.725 13.089 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -0.859 9.710 11.695 1.00 0.00 O ATOM 0 H GLU A 102 -1.513 5.414 13.154 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.695 7.615 14.584 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.529 6.099 12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.150 7.659 12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.252 7.124 11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.450 7.741 10.730 1.00 0.00 H new ATOM 1566 N THR A 103 -5.031 5.450 14.027 1.00 0.00 N ATOM 1567 CA THR A 103 -6.293 4.959 14.541 1.00 0.00 C ATOM 1568 C THR A 103 -6.851 4.005 13.484 1.00 0.00 C ATOM 1569 O THR A 103 -7.344 4.458 12.447 1.00 0.00 O ATOM 1570 CB THR A 103 -7.246 6.144 14.801 1.00 0.00 C ATOM 1571 OG1 THR A 103 -6.814 6.906 15.914 1.00 0.00 O ATOM 1572 CG2 THR A 103 -8.660 5.677 15.119 1.00 0.00 C ATOM 0 H THR A 103 -4.931 5.309 13.022 1.00 0.00 H new ATOM 0 HA THR A 103 -6.173 4.436 15.490 1.00 0.00 H new ATOM 0 HB THR A 103 -7.240 6.738 13.887 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.432 7.653 16.059 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.298 6.543 15.295 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.051 5.103 14.279 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.644 5.050 16.011 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.715 2.687 13.674 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.487 1.735 12.915 1.00 0.00 C ATOM 1582 C PRO A 104 -8.891 1.569 13.478 1.00 0.00 C ATOM 1583 O PRO A 104 -9.164 1.891 14.640 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.710 0.428 12.962 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.891 0.523 14.249 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.733 2.023 14.510 1.00 0.00 C ATOM 0 HA PRO A 104 -7.624 2.076 11.889 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.379 -0.432 12.979 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.067 0.315 12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.400 0.030 15.077 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.921 0.038 14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.898 2.254 15.562 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.725 2.356 14.265 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.739 1.004 12.623 1.00 0.00 N ATOM 1595 CA ILE A 105 -11.166 0.755 12.821 1.00 0.00 C ATOM 1596 C ILE A 105 -11.504 -0.734 12.611 1.00 0.00 C ATOM 1597 O ILE A 105 -12.583 -1.198 12.986 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.953 1.680 11.859 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.741 1.245 10.383 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.600 3.158 12.144 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -11.932 2.333 9.329 1.00 0.00 C ATOM 0 H ILE A 105 -9.425 0.685 11.707 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.452 0.984 13.848 1.00 0.00 H new ATOM 0 HB ILE A 105 -13.024 1.583 12.037 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.732 0.845 10.285 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.430 0.429 10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.157 3.803 11.464 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.863 3.403 13.173 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.531 3.312 11.996 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.759 1.914 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.949 2.720 9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.225 3.143 9.509 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.593 -1.496 11.999 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.635 -2.943 11.846 1.00 0.00 C ATOM 1615 C ALA A 106 -9.207 -3.422 11.580 1.00 0.00 C ATOM 1616 O ALA A 106 -8.279 -2.616 11.509 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.577 -3.326 10.691 1.00 0.00 C ATOM 0 H ALA A 106 -9.759 -1.090 11.574 1.00 0.00 H new ATOM 0 HA ALA A 106 -11.021 -3.418 12.748 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.601 -4.411 10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.581 -2.960 10.904 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.217 -2.879 9.764 1.00 0.00 H new ATOM 1623 N TYR A 107 -9.029 -4.724 11.389 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.788 -5.396 11.037 1.00 0.00 C ATOM 1625 C TYR A 107 -8.127 -6.425 9.949 1.00 0.00 C ATOM 1626 O TYR A 107 -9.139 -7.125 10.051 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.176 -6.025 12.304 1.00 0.00 C ATOM 1628 CG TYR A 107 -6.194 -5.125 13.043 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.664 -4.032 13.797 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.806 -5.367 12.974 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.759 -3.196 14.474 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.900 -4.556 13.674 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.376 -3.480 14.454 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.502 -2.711 15.158 1.00 0.00 O ATOM 0 H TYR A 107 -9.803 -5.382 11.483 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.037 -4.712 10.642 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.982 -6.298 12.985 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.666 -6.948 12.027 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.724 -3.835 13.855 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.436 -6.186 12.375 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.123 -2.333 15.012 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.840 -4.755 13.616 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.592 -3.051 15.031 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.326 -6.505 8.881 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.542 -7.381 7.722 1.00 0.00 C ATOM 1646 C ARG A 108 -6.457 -8.454 7.693 1.00 0.00 C ATOM 1647 O ARG A 108 -5.300 -8.123 7.944 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.500 -6.543 6.432 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.193 -7.220 5.236 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.711 -7.025 5.324 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.431 -7.795 4.301 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.638 -7.501 3.806 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.357 -6.504 4.320 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.107 -8.221 2.793 1.00 0.00 N ATOM 0 H ARG A 108 -6.480 -5.942 8.796 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.517 -7.863 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.974 -5.580 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.461 -6.342 6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.818 -6.799 4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.956 -8.284 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.057 -7.326 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.946 -5.967 5.212 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.969 -8.628 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.988 -5.957 5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.277 -6.287 3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.549 -8.982 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.025 -8.013 2.401 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.778 -9.708 7.393 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.868 -10.821 7.220 1.00 0.00 C ATOM 1670 C ASN A 109 -5.762 -11.189 5.741 1.00 0.00 C ATOM 1671 O ASN A 109 -6.748 -11.117 5.006 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.420 -12.024 7.994 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.617 -12.735 7.355 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -8.747 -12.257 7.417 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -7.414 -13.882 6.731 1.00 0.00 N ATOM 0 H ASN A 109 -7.750 -9.987 7.256 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.880 -10.545 7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.617 -12.749 8.122 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -6.709 -11.689 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.197 -14.373 6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.475 -14.276 6.681 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.588 -11.634 5.306 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.297 -12.087 3.947 1.00 0.00 C ATOM 1684 C VAL A 110 -3.152 -13.111 4.019 1.00 0.00 C ATOM 1685 O VAL A 110 -2.528 -13.263 5.067 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.906 -10.877 3.063 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.078 -9.932 2.750 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.767 -10.040 3.669 1.00 0.00 C ATOM 0 H VAL A 110 -3.774 -11.692 5.918 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.175 -12.555 3.501 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.571 -11.338 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.726 -9.110 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.857 -10.481 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.483 -9.535 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.536 -9.206 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.075 -9.656 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.881 -10.664 3.790 1.00 0.00 H new ATOM 1698 N LEU A 111 -2.820 -13.787 2.917 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.520 -14.435 2.746 1.00 0.00 C ATOM 1700 C LEU A 111 -0.719 -13.624 1.719 1.00 0.00 C ATOM 1701 O LEU A 111 -1.312 -12.911 0.903 1.00 0.00 O ATOM 1702 CB LEU A 111 -1.680 -15.862 2.202 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.257 -17.027 3.019 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.297 -17.615 4.046 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.623 -16.746 3.625 1.00 0.00 C ATOM 0 H LEU A 111 -3.445 -13.900 2.119 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.018 -14.480 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.298 -15.781 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.689 -16.178 1.877 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.406 -17.802 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.787 -18.431 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.409 -17.993 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.007 -16.842 4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.959 -17.618 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.555 -15.889 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.336 -16.529 2.830 1.00 0.00 H new ATOM 1717 N LEU A 112 0.600 -13.821 1.706 1.00 0.00 N ATOM 1718 CA LEU A 112 1.573 -13.307 0.743 1.00 0.00 C ATOM 1719 C LEU A 112 2.169 -14.515 0.024 1.00 0.00 C ATOM 1720 O LEU A 112 2.620 -15.470 0.663 1.00 0.00 O ATOM 1721 CB LEU A 112 2.718 -12.544 1.450 1.00 0.00 C ATOM 1722 CG LEU A 112 3.399 -11.419 0.645 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.771 -11.104 1.258 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.621 -11.752 -0.835 1.00 0.00 C ATOM 0 H LEU A 112 1.050 -14.388 2.425 1.00 0.00 H new ATOM 0 HA LEU A 112 1.079 -12.617 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.323 -12.113 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.481 -13.267 1.738 1.00 0.00 H new ATOM 0 HG LEU A 112 2.716 -10.571 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.250 -10.309 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.643 -10.782 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.395 -11.997 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.104 -10.909 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.256 -12.634 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.661 -11.950 -1.311 1.00 0.00 H new ATOM 1736 N ARG A 113 2.197 -14.493 -1.302 1.00 0.00 N ATOM 1737 CA ARG A 113 2.789 -15.505 -2.165 1.00 0.00 C ATOM 1738 C ARG A 113 4.312 -15.378 -2.188 1.00 0.00 C ATOM 1739 O ARG A 113 4.888 -15.001 -3.207 1.00 0.00 O ATOM 1740 CB ARG A 113 2.115 -15.281 -3.513 1.00 0.00 C ATOM 1741 CG ARG A 113 2.279 -16.343 -4.594 1.00 0.00 C ATOM 1742 CD ARG A 113 1.048 -16.222 -5.507 1.00 0.00 C ATOM 1743 NE ARG A 113 0.908 -17.343 -6.446 1.00 0.00 N ATOM 1744 CZ ARG A 113 1.198 -17.293 -7.750 1.00 0.00 C ATOM 1745 NH1 ARG A 113 1.863 -16.260 -8.255 1.00 0.00 N ATOM 1746 NH2 ARG A 113 0.779 -18.270 -8.551 1.00 0.00 N ATOM 0 H ARG A 113 1.784 -13.726 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 113 2.626 -16.528 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.048 -15.154 -3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.485 -14.338 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.198 -16.185 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.341 -17.339 -4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.152 -16.160 -4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.112 -15.291 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 113 0.563 -18.228 -6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.157 -15.496 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.080 -16.231 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 113 0.242 -19.048 -8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.995 -18.241 -9.547 1.00 0.00 H new ATOM 1760 N LYS A 114 4.912 -15.686 -1.030 1.00 0.00 N ATOM 1761 CA LYS A 114 6.333 -15.831 -0.693 1.00 0.00 C ATOM 1762 C LYS A 114 7.245 -14.969 -1.563 1.00 0.00 C ATOM 1763 O LYS A 114 7.617 -15.356 -2.668 1.00 0.00 O ATOM 1764 CB LYS A 114 6.721 -17.320 -0.728 1.00 0.00 C ATOM 1765 CG LYS A 114 5.928 -18.194 0.260 1.00 0.00 C ATOM 1766 CD LYS A 114 6.789 -18.952 1.275 1.00 0.00 C ATOM 1767 CE LYS A 114 7.364 -18.000 2.330 1.00 0.00 C ATOM 1768 NZ LYS A 114 8.080 -18.723 3.399 1.00 0.00 N ATOM 0 H LYS A 114 4.339 -15.861 -0.205 1.00 0.00 H new ATOM 0 HA LYS A 114 6.480 -15.456 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.569 -17.701 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.784 -17.414 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.225 -17.561 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.338 -18.915 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.190 -19.721 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.602 -19.461 0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.044 -17.296 1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.556 -17.414 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.452 -18.041 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.425 -19.376 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.868 -19.262 2.986 1.00 0.00 H new ATOM 1782 N ASN A 115 7.578 -13.785 -1.053 1.00 0.00 N ATOM 1783 CA ASN A 115 8.144 -12.690 -1.835 1.00 0.00 C ATOM 1784 C ASN A 115 9.602 -12.382 -1.523 1.00 0.00 C ATOM 1785 O ASN A 115 10.175 -11.455 -2.098 1.00 0.00 O ATOM 1786 CB ASN A 115 7.322 -11.431 -1.566 1.00 0.00 C ATOM 1787 CG ASN A 115 7.355 -10.500 -2.757 1.00 0.00 C ATOM 1788 OD1 ASN A 115 7.829 -9.375 -2.672 1.00 0.00 O ATOM 1789 ND2 ASN A 115 6.787 -10.931 -3.869 1.00 0.00 N ATOM 0 H ASN A 115 7.459 -13.556 -0.066 1.00 0.00 H new ATOM 0 HA ASN A 115 8.108 -13.004 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.291 -11.706 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 115 7.713 -10.918 -0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.735 -10.321 -4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 115 6.400 -11.874 -3.912 1.00 0.00 H new ATOM 1796 N GLY A 116 10.188 -13.112 -0.579 1.00 0.00 N ATOM 1797 CA GLY A 116 11.520 -12.867 -0.083 1.00 0.00 C ATOM 1798 C GLY A 116 12.033 -14.132 0.557 1.00 0.00 C ATOM 1799 O GLY A 116 11.241 -14.848 1.207 1.00 0.00 O ATOM 0 H GLY A 116 9.731 -13.907 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.177 -12.561 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.510 -12.053 0.642 1.00 0.00 H new TER 1803 GLY A 116