USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=17 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 55 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.13) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 HIS : no HE2:sc= 0.22 K(o=0.25,f=-3.1!) USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0464 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.61) 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= -0.288 K(o=-0.29,f=-2.7!) USER MOD Single : A 23 SER OG : rot 110:sc= 1.25 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.432 K(o=0.43,f=-0.075) USER MOD Single : A 40 CYS SG : rot 31:sc= -0.531 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= -0.0263 (180deg=-0.0263) USER MOD Single : A 63 SER OG : rot 180:sc= 0.148 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= -0.119 K(o=-0.12,f=-1) USER MOD Single : A 70 HIS : no HD1:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 173:sc= 0 (180deg=-0.0461) USER MOD Single : A 85 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 152:sc= 1.27 USER MOD Single : A 92 THR OG1 : rot 143:sc= 1.23 USER MOD Single : A 99 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.51) USER MOD Single : A 103 THR OG1 : rot -2:sc= 1.02 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.162 K(o=0.16,f=-0.86) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.891 -23.486 2.378 1.00 0.00 N ATOM 2 CA GLY A 1 1.637 -22.574 1.503 1.00 0.00 C ATOM 3 C GLY A 1 1.167 -21.140 1.665 1.00 0.00 C ATOM 4 O GLY A 1 0.007 -20.900 2.017 1.00 0.00 O ATOM 0 H1 GLY A 1 0.777 -24.405 1.905 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.413 -23.617 3.268 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.046 -23.083 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.701 -22.637 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.515 -22.883 0.465 1.00 0.00 H new ATOM 8 N HIS A 2 2.070 -20.204 1.336 1.00 0.00 N ATOM 9 CA HIS A 2 1.982 -18.746 1.440 1.00 0.00 C ATOM 10 C HIS A 2 2.013 -18.332 2.920 1.00 0.00 C ATOM 11 O HIS A 2 1.481 -19.030 3.785 1.00 0.00 O ATOM 12 CB HIS A 2 0.749 -18.200 0.702 1.00 0.00 C ATOM 13 CG HIS A 2 0.657 -18.531 -0.774 1.00 0.00 C ATOM 14 ND1 HIS A 2 1.222 -19.586 -1.470 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.025 -17.778 -1.683 1.00 0.00 C ATOM 16 CE1 HIS A 2 0.838 -19.486 -2.755 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.071 -18.396 -2.932 1.00 0.00 N ATOM 0 H HIS A 2 2.972 -20.483 0.951 1.00 0.00 H new ATOM 0 HA HIS A 2 2.847 -18.302 0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.144 -18.582 1.196 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.735 -17.116 0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.551 -16.858 -1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.108 -20.183 -3.535 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.356 -18.083 -3.804 1.00 0.00 H new ATOM 25 N VAL A 3 2.625 -17.189 3.219 1.00 0.00 N ATOM 26 CA VAL A 3 2.695 -16.640 4.580 1.00 0.00 C ATOM 27 C VAL A 3 1.449 -15.794 4.794 1.00 0.00 C ATOM 28 O VAL A 3 0.967 -15.191 3.840 1.00 0.00 O ATOM 29 CB VAL A 3 3.975 -15.799 4.742 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.032 -14.981 6.038 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.213 -16.703 4.706 1.00 0.00 C ATOM 0 H VAL A 3 3.092 -16.609 2.521 1.00 0.00 H new ATOM 0 HA VAL A 3 2.734 -17.436 5.324 1.00 0.00 H new ATOM 0 HB VAL A 3 3.959 -15.098 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.965 -14.419 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.190 -14.289 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.981 -15.653 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.111 -16.096 4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.158 -17.428 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.252 -17.229 3.752 1.00 0.00 H new ATOM 41 N GLN A 4 0.949 -15.695 6.022 1.00 0.00 N ATOM 42 CA GLN A 4 -0.145 -14.818 6.376 1.00 0.00 C ATOM 43 C GLN A 4 0.411 -13.492 6.863 1.00 0.00 C ATOM 44 O GLN A 4 1.318 -13.475 7.695 1.00 0.00 O ATOM 45 CB GLN A 4 -0.997 -15.490 7.454 1.00 0.00 C ATOM 46 CG GLN A 4 -2.462 -15.185 7.197 1.00 0.00 C ATOM 47 CD GLN A 4 -3.338 -15.641 8.352 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.429 -16.834 8.648 1.00 0.00 O ATOM 49 NE2 GLN A 4 -3.992 -14.725 9.041 1.00 0.00 N ATOM 0 H GLN A 4 1.305 -16.236 6.810 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.775 -14.626 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.831 -16.567 7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.706 -15.130 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.590 -14.113 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.782 -15.679 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.909 -13.741 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.580 -15.001 9.827 1.00 0.00 H new ATOM 58 N LEU A 5 -0.159 -12.388 6.385 1.00 0.00 N ATOM 59 CA LEU A 5 0.190 -11.046 6.826 1.00 0.00 C ATOM 60 C LEU A 5 -1.079 -10.279 7.159 1.00 0.00 C ATOM 61 O LEU A 5 -2.149 -10.552 6.607 1.00 0.00 O ATOM 62 CB LEU A 5 1.028 -10.325 5.762 1.00 0.00 C ATOM 63 CG LEU A 5 2.481 -10.842 5.647 1.00 0.00 C ATOM 64 CD1 LEU A 5 3.231 -10.001 4.613 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.271 -10.752 6.959 1.00 0.00 C ATOM 0 H LEU A 5 -0.886 -12.404 5.670 1.00 0.00 H new ATOM 0 HA LEU A 5 0.802 -11.107 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.538 -10.432 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.050 -9.260 5.992 1.00 0.00 H new ATOM 0 HG LEU A 5 2.408 -11.892 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.257 -10.360 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.735 -10.085 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.237 -8.958 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.281 -11.132 6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.321 -9.713 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.774 -11.348 7.725 1.00 0.00 H new ATOM 77 N SER A 6 -0.977 -9.348 8.096 1.00 0.00 N ATOM 78 CA SER A 6 -2.095 -8.632 8.690 1.00 0.00 C ATOM 79 C SER A 6 -1.815 -7.141 8.569 1.00 0.00 C ATOM 80 O SER A 6 -0.665 -6.718 8.699 1.00 0.00 O ATOM 81 CB SER A 6 -2.278 -9.037 10.164 1.00 0.00 C ATOM 82 OG SER A 6 -1.284 -9.926 10.660 1.00 0.00 O ATOM 0 H SER A 6 -0.076 -9.060 8.478 1.00 0.00 H new ATOM 0 HA SER A 6 -3.020 -8.881 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.280 -8.136 10.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.256 -9.504 10.280 1.00 0.00 H new ATOM 0 HG SER A 6 -1.470 -10.133 11.600 1.00 0.00 H new ATOM 88 N LEU A 7 -2.851 -6.341 8.317 1.00 0.00 N ATOM 89 CA LEU A 7 -2.732 -4.889 8.249 1.00 0.00 C ATOM 90 C LEU A 7 -3.813 -4.237 9.106 1.00 0.00 C ATOM 91 O LEU A 7 -4.904 -4.807 9.208 1.00 0.00 O ATOM 92 CB LEU A 7 -2.836 -4.413 6.787 1.00 0.00 C ATOM 93 CG LEU A 7 -1.771 -5.003 5.840 1.00 0.00 C ATOM 94 CD1 LEU A 7 -2.109 -4.648 4.389 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.362 -4.475 6.144 1.00 0.00 C ATOM 0 H LEU A 7 -3.797 -6.685 8.154 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.757 -4.594 8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.824 -4.669 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.759 -3.326 6.767 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.779 -6.082 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.353 -5.068 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.085 -5.059 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.130 -3.564 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.351 -4.920 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.348 -3.391 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.087 -4.738 7.165 1.00 0.00 H new ATOM 107 N PRO A 8 -3.546 -3.067 9.709 1.00 0.00 N ATOM 108 CA PRO A 8 -4.572 -2.189 10.241 1.00 0.00 C ATOM 109 C PRO A 8 -5.290 -1.513 9.060 1.00 0.00 C ATOM 110 O PRO A 8 -4.643 -1.089 8.097 1.00 0.00 O ATOM 111 CB PRO A 8 -3.793 -1.200 11.117 1.00 0.00 C ATOM 112 CG PRO A 8 -2.450 -1.043 10.410 1.00 0.00 C ATOM 113 CD PRO A 8 -2.242 -2.422 9.788 1.00 0.00 C ATOM 0 HA PRO A 8 -5.347 -2.686 10.824 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.313 -0.246 11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.666 -1.581 12.130 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.478 -0.257 9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.652 -0.787 11.107 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.798 -2.333 8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.556 -3.016 10.392 1.00 0.00 H new ATOM 121 N VAL A 9 -6.616 -1.431 9.107 1.00 0.00 N ATOM 122 CA VAL A 9 -7.432 -0.662 8.175 1.00 0.00 C ATOM 123 C VAL A 9 -7.500 0.740 8.758 1.00 0.00 C ATOM 124 O VAL A 9 -8.002 0.902 9.871 1.00 0.00 O ATOM 125 CB VAL A 9 -8.849 -1.253 8.008 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.563 -0.606 6.812 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.798 -2.770 7.765 1.00 0.00 C ATOM 0 H VAL A 9 -7.169 -1.913 9.816 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.993 -0.675 7.177 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.391 -1.049 8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.560 -1.034 6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.644 0.469 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.992 -0.793 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.812 -3.155 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.229 -2.974 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.317 -3.258 8.613 1.00 0.00 H new ATOM 137 N LEU A 10 -6.965 1.719 8.038 1.00 0.00 N ATOM 138 CA LEU A 10 -6.906 3.119 8.439 1.00 0.00 C ATOM 139 C LEU A 10 -7.923 3.881 7.585 1.00 0.00 C ATOM 140 O LEU A 10 -8.228 3.443 6.466 1.00 0.00 O ATOM 141 CB LEU A 10 -5.474 3.640 8.197 1.00 0.00 C ATOM 142 CG LEU A 10 -4.353 2.878 8.939 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.972 3.246 8.386 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.358 3.176 10.439 1.00 0.00 C ATOM 0 H LEU A 10 -6.544 1.553 7.124 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.144 3.252 9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.268 3.602 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.433 4.688 8.492 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.550 1.818 8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.204 2.694 8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.924 2.990 7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.804 4.316 8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.555 2.621 10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.208 4.244 10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.315 2.876 10.866 1.00 0.00 H new ATOM 156 N GLN A 11 -8.444 5.020 8.060 1.00 0.00 N ATOM 157 CA GLN A 11 -9.202 5.891 7.166 1.00 0.00 C ATOM 158 C GLN A 11 -8.230 6.513 6.180 1.00 0.00 C ATOM 159 O GLN A 11 -7.107 6.859 6.541 1.00 0.00 O ATOM 160 CB GLN A 11 -9.943 7.024 7.896 1.00 0.00 C ATOM 161 CG GLN A 11 -11.326 6.606 8.398 1.00 0.00 C ATOM 162 CD GLN A 11 -12.482 7.524 7.977 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.391 8.406 7.122 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.629 7.314 8.580 1.00 0.00 N ATOM 0 H GLN A 11 -8.358 5.348 9.022 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.959 5.277 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.342 7.359 8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.049 7.875 7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.535 5.598 8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.300 6.558 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.707 6.584 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.443 7.881 8.340 1.00 0.00 H new ATOM 173 N VAL A 12 -8.704 6.814 4.977 1.00 0.00 N ATOM 174 CA VAL A 12 -7.933 7.545 3.984 1.00 0.00 C ATOM 175 C VAL A 12 -7.531 8.926 4.519 1.00 0.00 C ATOM 176 O VAL A 12 -6.546 9.494 4.044 1.00 0.00 O ATOM 177 CB VAL A 12 -8.756 7.603 2.686 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.034 8.445 2.809 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.884 8.100 1.533 1.00 0.00 C ATOM 0 H VAL A 12 -9.639 6.555 4.663 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.994 7.037 3.765 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.088 6.586 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.565 8.442 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.675 8.023 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.771 9.469 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.476 8.137 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.510 9.097 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.043 7.420 1.393 1.00 0.00 H new ATOM 189 N ARG A 13 -8.262 9.464 5.507 1.00 0.00 N ATOM 190 CA ARG A 13 -7.878 10.701 6.163 1.00 0.00 C ATOM 191 C ARG A 13 -6.870 10.490 7.293 1.00 0.00 C ATOM 192 O ARG A 13 -6.056 11.379 7.514 1.00 0.00 O ATOM 193 CB ARG A 13 -9.100 11.516 6.626 1.00 0.00 C ATOM 194 CG ARG A 13 -10.049 10.760 7.568 1.00 0.00 C ATOM 195 CD ARG A 13 -10.769 11.656 8.599 1.00 0.00 C ATOM 196 NE ARG A 13 -10.834 11.010 9.924 1.00 0.00 N ATOM 197 CZ ARG A 13 -9.762 10.729 10.681 1.00 0.00 C ATOM 198 NH1 ARG A 13 -8.571 11.262 10.434 1.00 0.00 N ATOM 199 NH2 ARG A 13 -9.852 9.874 11.682 1.00 0.00 N ATOM 0 H ARG A 13 -9.124 9.052 5.863 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.365 11.294 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.750 12.417 7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.660 11.838 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.798 10.241 6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.481 9.997 8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.246 12.609 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.778 11.876 8.250 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.754 10.761 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.452 11.904 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.775 11.029 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.742 9.420 11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.031 9.667 12.251 1.00 0.00 H new ATOM 213 N ASP A 14 -6.890 9.353 7.995 1.00 0.00 N ATOM 214 CA ASP A 14 -5.970 9.095 9.114 1.00 0.00 C ATOM 215 C ASP A 14 -4.559 8.907 8.596 1.00 0.00 C ATOM 216 O ASP A 14 -3.589 9.282 9.240 1.00 0.00 O ATOM 217 CB ASP A 14 -6.342 7.816 9.882 1.00 0.00 C ATOM 218 CG ASP A 14 -7.358 8.103 10.988 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.177 9.098 11.730 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.403 7.424 11.052 1.00 0.00 O ATOM 0 H ASP A 14 -7.539 8.588 7.808 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.041 9.956 9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.754 7.081 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.444 7.377 10.316 1.00 0.00 H new ATOM 225 N VAL A 15 -4.458 8.314 7.415 1.00 0.00 N ATOM 226 CA VAL A 15 -3.284 8.161 6.586 1.00 0.00 C ATOM 227 C VAL A 15 -2.721 9.517 6.165 1.00 0.00 C ATOM 228 O VAL A 15 -2.850 9.903 5.014 1.00 0.00 O ATOM 229 CB VAL A 15 -3.566 7.173 5.441 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.268 6.827 4.723 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.081 5.824 5.960 1.00 0.00 C ATOM 0 H VAL A 15 -5.276 7.890 6.978 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.476 7.708 7.161 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.300 7.660 4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.475 6.127 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.826 7.735 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.573 6.371 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.267 5.157 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.335 5.378 6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.008 5.977 6.513 1.00 0.00 H new ATOM 241 N LEU A 16 -2.245 10.321 7.108 1.00 0.00 N ATOM 242 CA LEU A 16 -1.497 11.547 6.894 1.00 0.00 C ATOM 243 C LEU A 16 -0.643 11.491 5.627 1.00 0.00 C ATOM 244 O LEU A 16 -0.713 12.419 4.821 1.00 0.00 O ATOM 245 CB LEU A 16 -0.576 11.800 8.096 1.00 0.00 C ATOM 246 CG LEU A 16 -1.246 11.979 9.469 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.190 12.475 10.453 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.412 12.969 9.442 1.00 0.00 C ATOM 0 H LEU A 16 -2.380 10.120 8.099 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.221 12.353 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.123 10.967 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.013 12.693 7.888 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.658 11.015 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.643 12.609 11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.615 11.744 10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.213 13.427 10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.842 13.051 10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.052 13.946 9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.173 12.616 8.747 1.00 0.00 H new ATOM 260 N VAL A 17 0.122 10.411 5.433 1.00 0.00 N ATOM 261 CA VAL A 17 1.036 10.220 4.313 1.00 0.00 C ATOM 262 C VAL A 17 0.581 8.991 3.531 1.00 0.00 C ATOM 263 O VAL A 17 0.709 7.865 4.019 1.00 0.00 O ATOM 264 CB VAL A 17 2.496 10.098 4.808 1.00 0.00 C ATOM 265 CG1 VAL A 17 3.478 10.097 3.631 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.873 11.239 5.759 1.00 0.00 C ATOM 0 H VAL A 17 0.118 9.620 6.078 1.00 0.00 H new ATOM 0 HA VAL A 17 1.014 11.086 3.651 1.00 0.00 H new ATOM 0 HB VAL A 17 2.562 9.152 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.497 10.010 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.260 9.253 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.376 11.027 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.906 11.116 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.766 12.193 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.215 11.221 6.628 1.00 0.00 H new ATOM 276 N ARG A 18 -0.013 9.193 2.350 1.00 0.00 N ATOM 277 CA ARG A 18 -0.715 8.147 1.591 1.00 0.00 C ATOM 278 C ARG A 18 0.117 7.621 0.432 1.00 0.00 C ATOM 279 O ARG A 18 -0.401 6.895 -0.419 1.00 0.00 O ATOM 280 CB ARG A 18 -2.053 8.674 1.061 1.00 0.00 C ATOM 281 CG ARG A 18 -2.924 9.290 2.145 1.00 0.00 C ATOM 282 CD ARG A 18 -3.972 10.201 1.544 1.00 0.00 C ATOM 283 NE ARG A 18 -4.664 10.999 2.565 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.137 11.976 3.312 1.00 0.00 C ATOM 285 NH1 ARG A 18 -2.901 12.423 3.084 1.00 0.00 N ATOM 286 NH2 ARG A 18 -4.891 12.529 4.251 1.00 0.00 N ATOM 0 H ARG A 18 -0.021 10.101 1.886 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.891 7.321 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.863 9.420 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.597 7.856 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.409 8.501 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.302 9.854 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.501 10.868 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.701 9.603 0.997 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.649 10.786 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.343 12.019 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.514 13.168 3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.849 12.208 4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.513 13.276 4.834 1.00 0.00 H new ATOM 300 N GLY A 19 1.381 8.006 0.348 1.00 0.00 N ATOM 301 CA GLY A 19 2.303 7.520 -0.635 1.00 0.00 C ATOM 302 C GLY A 19 3.490 7.043 0.163 1.00 0.00 C ATOM 303 O GLY A 19 4.031 7.754 1.011 1.00 0.00 O ATOM 0 H GLY A 19 1.794 8.686 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.868 6.711 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.586 8.305 -1.336 1.00 0.00 H new ATOM 307 N PHE A 20 3.871 5.797 -0.069 1.00 0.00 N ATOM 308 CA PHE A 20 5.188 5.353 0.328 1.00 0.00 C ATOM 309 C PHE A 20 6.252 6.157 -0.432 1.00 0.00 C ATOM 310 O PHE A 20 7.228 6.614 0.155 1.00 0.00 O ATOM 311 CB PHE A 20 5.293 3.873 0.024 1.00 0.00 C ATOM 312 CG PHE A 20 4.651 2.940 1.023 1.00 0.00 C ATOM 313 CD1 PHE A 20 5.172 2.840 2.328 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.555 2.137 0.648 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.594 1.948 3.241 1.00 0.00 C ATOM 316 CE2 PHE A 20 3.000 1.244 1.568 1.00 0.00 C ATOM 317 CZ PHE A 20 3.524 1.133 2.858 1.00 0.00 C ATOM 0 H PHE A 20 3.294 5.089 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 20 5.351 5.514 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.844 3.691 -0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.349 3.614 -0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.014 3.449 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.145 2.212 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.978 1.889 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.157 0.633 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.106 0.422 3.555 1.00 0.00 H new ATOM 327 N GLY A 21 6.014 6.394 -1.716 1.00 0.00 N ATOM 328 CA GLY A 21 6.906 7.084 -2.622 1.00 0.00 C ATOM 329 C GLY A 21 6.073 7.765 -3.688 1.00 0.00 C ATOM 330 O GLY A 21 4.838 7.721 -3.635 1.00 0.00 O ATOM 0 H GLY A 21 5.151 6.094 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.503 7.818 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.603 6.380 -3.077 1.00 0.00 H new ATOM 334 N ASP A 22 6.763 8.378 -4.641 1.00 0.00 N ATOM 335 CA ASP A 22 6.181 9.276 -5.633 1.00 0.00 C ATOM 336 C ASP A 22 6.193 8.643 -7.027 1.00 0.00 C ATOM 337 O ASP A 22 5.779 9.275 -7.997 1.00 0.00 O ATOM 338 CB ASP A 22 6.907 10.637 -5.584 1.00 0.00 C ATOM 339 CG ASP A 22 5.951 11.830 -5.684 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.905 11.837 -4.993 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.307 12.847 -6.333 1.00 0.00 O ATOM 0 H ASP A 22 7.771 8.262 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 22 5.132 9.452 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.472 10.708 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.628 10.687 -6.400 1.00 0.00 H new ATOM 346 N SER A 23 6.609 7.374 -7.114 1.00 0.00 N ATOM 347 CA SER A 23 6.563 6.535 -8.307 1.00 0.00 C ATOM 348 C SER A 23 5.887 5.197 -8.001 1.00 0.00 C ATOM 349 O SER A 23 5.738 4.806 -6.840 1.00 0.00 O ATOM 350 CB SER A 23 7.985 6.274 -8.789 1.00 0.00 C ATOM 351 OG SER A 23 8.686 7.475 -9.037 1.00 0.00 O ATOM 0 H SER A 23 7.006 6.885 -6.312 1.00 0.00 H new ATOM 0 HA SER A 23 5.989 7.052 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.520 5.689 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.956 5.676 -9.700 1.00 0.00 H new ATOM 0 HG SER A 23 9.377 7.598 -8.353 1.00 0.00 H new ATOM 357 N VAL A 24 5.522 4.464 -9.055 1.00 0.00 N ATOM 358 CA VAL A 24 4.856 3.169 -8.958 1.00 0.00 C ATOM 359 C VAL A 24 5.732 2.184 -8.218 1.00 0.00 C ATOM 360 O VAL A 24 5.323 1.675 -7.175 1.00 0.00 O ATOM 361 CB VAL A 24 4.458 2.651 -10.351 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.728 1.307 -10.345 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.497 3.644 -10.960 1.00 0.00 C ATOM 0 H VAL A 24 5.685 4.762 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 24 3.935 3.289 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 24 5.390 2.525 -10.902 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.486 1.020 -11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.368 0.547 -9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.809 1.395 -9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.198 3.301 -11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.615 3.733 -10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.983 4.616 -11.044 1.00 0.00 H new ATOM 373 N GLU A 25 6.902 1.872 -8.777 1.00 0.00 N ATOM 374 CA GLU A 25 7.706 0.802 -8.225 1.00 0.00 C ATOM 375 C GLU A 25 8.325 1.206 -6.893 1.00 0.00 C ATOM 376 O GLU A 25 8.635 0.319 -6.103 1.00 0.00 O ATOM 377 CB GLU A 25 8.796 0.363 -9.203 1.00 0.00 C ATOM 378 CG GLU A 25 8.289 -0.748 -10.136 1.00 0.00 C ATOM 379 CD GLU A 25 9.401 -1.536 -10.846 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.191 -0.947 -11.622 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.426 -2.785 -10.712 1.00 0.00 O ATOM 0 H GLU A 25 7.300 2.338 -9.593 1.00 0.00 H new ATOM 0 HA GLU A 25 7.041 -0.044 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.123 1.218 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.665 0.008 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.681 -1.443 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.637 -0.305 -10.889 1.00 0.00 H new ATOM 388 N GLU A 26 8.511 2.507 -6.651 1.00 0.00 N ATOM 389 CA GLU A 26 8.817 3.047 -5.321 1.00 0.00 C ATOM 390 C GLU A 26 7.766 2.523 -4.347 1.00 0.00 C ATOM 391 O GLU A 26 8.072 1.683 -3.501 1.00 0.00 O ATOM 392 CB GLU A 26 8.831 4.589 -5.286 1.00 0.00 C ATOM 393 CG GLU A 26 10.062 5.221 -5.949 1.00 0.00 C ATOM 394 CD GLU A 26 9.951 6.745 -6.044 1.00 0.00 C ATOM 395 OE1 GLU A 26 9.369 7.392 -5.145 1.00 0.00 O ATOM 396 OE2 GLU A 26 10.405 7.293 -7.075 1.00 0.00 O ATOM 0 H GLU A 26 8.453 3.221 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 26 9.820 2.721 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.934 4.961 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.782 4.918 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.954 4.958 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.188 4.805 -6.949 1.00 0.00 H new ATOM 403 N ALA A 27 6.514 2.968 -4.499 1.00 0.00 N ATOM 404 CA ALA A 27 5.452 2.672 -3.564 1.00 0.00 C ATOM 405 C ALA A 27 5.263 1.162 -3.402 1.00 0.00 C ATOM 406 O ALA A 27 5.074 0.683 -2.281 1.00 0.00 O ATOM 407 CB ALA A 27 4.172 3.362 -4.045 1.00 0.00 C ATOM 0 H ALA A 27 6.219 3.548 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 27 5.711 3.055 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.360 3.148 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.335 4.439 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.909 2.991 -5.035 1.00 0.00 H new ATOM 413 N LEU A 28 5.339 0.412 -4.506 1.00 0.00 N ATOM 414 CA LEU A 28 5.290 -1.036 -4.512 1.00 0.00 C ATOM 415 C LEU A 28 6.372 -1.656 -3.606 1.00 0.00 C ATOM 416 O LEU A 28 6.065 -2.524 -2.779 1.00 0.00 O ATOM 417 CB LEU A 28 5.462 -1.502 -5.974 1.00 0.00 C ATOM 418 CG LEU A 28 4.669 -2.757 -6.332 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.707 -3.008 -7.843 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.203 -4.006 -5.637 1.00 0.00 C ATOM 0 H LEU A 28 5.439 0.814 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 28 4.333 -1.370 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.159 -0.693 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.519 -1.689 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 28 3.649 -2.574 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.136 -3.907 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.272 -2.156 -8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.740 -3.141 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.603 -4.868 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.240 -4.170 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.148 -3.873 -4.557 1.00 0.00 H new ATOM 432 N SER A 29 7.641 -1.270 -3.784 1.00 0.00 N ATOM 433 CA SER A 29 8.756 -1.845 -3.038 1.00 0.00 C ATOM 434 C SER A 29 8.694 -1.442 -1.580 1.00 0.00 C ATOM 435 O SER A 29 8.857 -2.281 -0.697 1.00 0.00 O ATOM 436 CB SER A 29 10.104 -1.370 -3.581 1.00 0.00 C ATOM 437 OG SER A 29 10.894 -2.514 -3.853 1.00 0.00 O ATOM 0 H SER A 29 7.919 -0.550 -4.451 1.00 0.00 H new ATOM 0 HA SER A 29 8.670 -2.926 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.963 -0.780 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.602 -0.727 -2.855 1.00 0.00 H new ATOM 0 HG SER A 29 11.765 -2.234 -4.205 1.00 0.00 H new ATOM 443 N GLU A 30 8.489 -0.159 -1.326 1.00 0.00 N ATOM 444 CA GLU A 30 8.500 0.402 0.005 1.00 0.00 C ATOM 445 C GLU A 30 7.436 -0.274 0.852 1.00 0.00 C ATOM 446 O GLU A 30 7.702 -0.584 2.007 1.00 0.00 O ATOM 447 CB GLU A 30 8.077 1.851 -0.104 1.00 0.00 C ATOM 448 CG GLU A 30 9.003 2.860 -0.774 1.00 0.00 C ATOM 449 CD GLU A 30 9.874 3.678 0.188 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.463 3.942 1.342 1.00 0.00 O ATOM 451 OE2 GLU A 30 10.994 4.043 -0.250 1.00 0.00 O ATOM 0 H GLU A 30 8.307 0.529 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 30 9.491 0.278 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.128 1.874 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.881 2.210 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.655 2.328 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.399 3.547 -1.367 1.00 0.00 H new ATOM 458 N ALA A 31 6.253 -0.528 0.284 1.00 0.00 N ATOM 459 CA ALA A 31 5.206 -1.304 0.914 1.00 0.00 C ATOM 460 C ALA A 31 5.780 -2.619 1.396 1.00 0.00 C ATOM 461 O ALA A 31 5.806 -2.843 2.597 1.00 0.00 O ATOM 462 CB ALA A 31 4.048 -1.462 -0.056 1.00 0.00 C ATOM 0 H ALA A 31 6.002 -0.189 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 31 4.810 -0.796 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.257 -2.046 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.662 -0.479 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.393 -1.975 -0.954 1.00 0.00 H new ATOM 468 N ARG A 32 6.324 -3.446 0.510 1.00 0.00 N ATOM 469 CA ARG A 32 7.088 -4.649 0.858 1.00 0.00 C ATOM 470 C ARG A 32 8.013 -4.410 2.043 1.00 0.00 C ATOM 471 O ARG A 32 7.994 -5.172 3.016 1.00 0.00 O ATOM 472 CB ARG A 32 7.878 -5.049 -0.397 1.00 0.00 C ATOM 473 CG ARG A 32 7.737 -6.509 -0.790 1.00 0.00 C ATOM 474 CD ARG A 32 8.204 -6.595 -2.241 1.00 0.00 C ATOM 475 NE ARG A 32 8.008 -7.939 -2.783 1.00 0.00 N ATOM 476 CZ ARG A 32 7.621 -8.219 -4.027 1.00 0.00 C ATOM 477 NH1 ARG A 32 7.388 -7.259 -4.917 1.00 0.00 N ATOM 478 NH2 ARG A 32 7.483 -9.490 -4.356 1.00 0.00 N ATOM 0 H ARG A 32 6.247 -3.299 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 32 6.416 -5.450 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.550 -4.428 -1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.933 -4.830 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.342 -7.148 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.704 -6.843 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.655 -5.873 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.258 -6.326 -2.303 1.00 0.00 H new ATOM 0 HE ARG A 32 8.182 -8.726 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.505 -6.280 -4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.093 -7.501 -5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.671 -10.218 -3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.188 -9.744 -5.299 1.00 0.00 H new ATOM 492 N GLU A 33 8.768 -3.325 1.975 1.00 0.00 N ATOM 493 CA GLU A 33 9.756 -2.940 2.953 1.00 0.00 C ATOM 494 C GLU A 33 9.155 -2.521 4.303 1.00 0.00 C ATOM 495 O GLU A 33 9.840 -2.576 5.328 1.00 0.00 O ATOM 496 CB GLU A 33 10.617 -1.805 2.347 1.00 0.00 C ATOM 497 CG GLU A 33 12.082 -2.211 2.335 1.00 0.00 C ATOM 498 CD GLU A 33 12.983 -1.326 1.477 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.175 -0.134 1.821 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.563 -1.831 0.495 1.00 0.00 O ATOM 0 H GLU A 33 8.701 -2.664 1.201 1.00 0.00 H new ATOM 0 HA GLU A 33 10.370 -3.812 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.284 -1.587 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.489 -0.891 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.456 -2.202 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.157 -3.238 1.977 1.00 0.00 H new ATOM 507 N HIS A 34 7.888 -2.111 4.343 1.00 0.00 N ATOM 508 CA HIS A 34 7.170 -1.691 5.535 1.00 0.00 C ATOM 509 C HIS A 34 6.345 -2.861 6.051 1.00 0.00 C ATOM 510 O HIS A 34 6.278 -3.048 7.255 1.00 0.00 O ATOM 511 CB HIS A 34 6.311 -0.448 5.256 1.00 0.00 C ATOM 512 CG HIS A 34 7.104 0.839 5.130 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.011 1.118 4.136 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.926 1.997 5.847 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.384 2.400 4.245 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.772 2.971 5.302 1.00 0.00 N ATOM 0 H HIS A 34 7.311 -2.062 3.503 1.00 0.00 H new ATOM 0 HA HIS A 34 7.880 -1.400 6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.749 -0.607 4.336 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.582 -0.336 6.059 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.345 0.459 3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.254 2.132 6.682 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.074 2.903 3.583 1.00 0.00 H new ATOM 524 N LEU A 35 5.809 -3.729 5.190 1.00 0.00 N ATOM 525 CA LEU A 35 5.204 -5.002 5.571 1.00 0.00 C ATOM 526 C LEU A 35 6.220 -5.859 6.335 1.00 0.00 C ATOM 527 O LEU A 35 5.881 -6.500 7.331 1.00 0.00 O ATOM 528 CB LEU A 35 4.694 -5.754 4.323 1.00 0.00 C ATOM 529 CG LEU A 35 3.293 -5.313 3.850 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.232 -4.108 2.932 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.607 -6.457 3.090 1.00 0.00 C ATOM 0 H LEU A 35 5.784 -3.560 4.184 1.00 0.00 H new ATOM 0 HA LEU A 35 4.353 -4.803 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.403 -5.607 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.673 -6.822 4.539 1.00 0.00 H new ATOM 0 HG LEU A 35 2.799 -5.036 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.194 -3.901 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.659 -3.243 3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.799 -4.313 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.619 -6.134 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.208 -6.729 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.506 -7.321 3.747 1.00 0.00 H new ATOM 543 N LYS A 36 7.489 -5.855 5.914 1.00 0.00 N ATOM 544 CA LYS A 36 8.569 -6.576 6.587 1.00 0.00 C ATOM 545 C LYS A 36 8.903 -5.988 7.963 1.00 0.00 C ATOM 546 O LYS A 36 9.444 -6.680 8.833 1.00 0.00 O ATOM 547 CB LYS A 36 9.775 -6.578 5.638 1.00 0.00 C ATOM 548 CG LYS A 36 10.609 -7.862 5.716 1.00 0.00 C ATOM 549 CD LYS A 36 11.809 -7.821 6.662 1.00 0.00 C ATOM 550 CE LYS A 36 12.792 -6.725 6.236 1.00 0.00 C ATOM 551 NZ LYS A 36 14.203 -7.089 6.463 1.00 0.00 N ATOM 0 H LYS A 36 7.796 -5.344 5.086 1.00 0.00 H new ATOM 0 HA LYS A 36 8.259 -7.599 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.423 -6.444 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.412 -5.725 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.956 -8.679 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.968 -8.101 4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.470 -7.637 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.312 -8.788 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.646 -6.506 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.567 -5.811 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.817 -6.308 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.356 -7.271 7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.433 -7.945 5.919 1.00 0.00 H new ATOM 565 N ASN A 37 8.560 -4.722 8.179 1.00 0.00 N ATOM 566 CA ASN A 37 8.687 -4.006 9.449 1.00 0.00 C ATOM 567 C ASN A 37 7.362 -3.926 10.220 1.00 0.00 C ATOM 568 O ASN A 37 7.361 -3.493 11.367 1.00 0.00 O ATOM 569 CB ASN A 37 9.293 -2.615 9.201 1.00 0.00 C ATOM 570 CG ASN A 37 10.800 -2.712 9.016 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.506 -3.138 9.929 1.00 0.00 O ATOM 572 ND2 ASN A 37 11.323 -2.415 7.840 1.00 0.00 N ATOM 0 H ASN A 37 8.167 -4.138 7.441 1.00 0.00 H new ATOM 0 HA ASN A 37 9.362 -4.574 10.089 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.841 -2.168 8.316 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.066 -1.959 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.323 -2.538 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.727 -2.063 7.091 1.00 0.00 H new ATOM 579 N GLY A 38 6.244 -4.357 9.631 1.00 0.00 N ATOM 580 CA GLY A 38 4.886 -4.213 10.148 1.00 0.00 C ATOM 581 C GLY A 38 4.337 -2.781 10.069 1.00 0.00 C ATOM 582 O GLY A 38 3.199 -2.540 10.478 1.00 0.00 O ATOM 0 H GLY A 38 6.266 -4.841 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.224 -4.876 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.867 -4.542 11.187 1.00 0.00 H new ATOM 586 N THR A 39 5.104 -1.834 9.525 1.00 0.00 N ATOM 587 CA THR A 39 4.841 -0.401 9.521 1.00 0.00 C ATOM 588 C THR A 39 3.962 -0.015 8.327 1.00 0.00 C ATOM 589 O THR A 39 4.154 1.026 7.696 1.00 0.00 O ATOM 590 CB THR A 39 6.201 0.335 9.526 1.00 0.00 C ATOM 591 OG1 THR A 39 7.065 -0.119 8.500 1.00 0.00 O ATOM 592 CG2 THR A 39 6.959 0.127 10.838 1.00 0.00 C ATOM 0 H THR A 39 5.976 -2.065 9.048 1.00 0.00 H new ATOM 0 HA THR A 39 4.282 -0.107 10.410 1.00 0.00 H new ATOM 0 HB THR A 39 5.946 1.385 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.910 0.375 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.908 0.661 10.798 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.363 0.508 11.667 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.147 -0.937 10.985 1.00 0.00 H new ATOM 600 N CYS A 40 2.971 -0.843 7.994 1.00 0.00 N ATOM 601 CA CYS A 40 2.120 -0.675 6.831 1.00 0.00 C ATOM 602 C CYS A 40 0.667 -0.803 7.271 1.00 0.00 C ATOM 603 O CYS A 40 0.359 -1.609 8.144 1.00 0.00 O ATOM 604 CB CYS A 40 2.527 -1.710 5.780 1.00 0.00 C ATOM 605 SG CYS A 40 1.437 -1.600 4.336 1.00 0.00 S ATOM 0 H CYS A 40 2.738 -1.669 8.545 1.00 0.00 H new ATOM 0 HA CYS A 40 2.234 0.310 6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.561 -1.544 5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.477 -2.712 6.207 1.00 0.00 H new ATOM 0 HG CYS A 40 1.029 -0.374 4.193 1.00 0.00 H new ATOM 611 N GLY A 41 -0.213 -0.018 6.651 1.00 0.00 N ATOM 612 CA GLY A 41 -1.650 -0.052 6.802 1.00 0.00 C ATOM 613 C GLY A 41 -2.351 -0.145 5.453 1.00 0.00 C ATOM 614 O GLY A 41 -1.710 -0.119 4.397 1.00 0.00 O ATOM 0 H GLY A 41 0.087 0.700 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.932 -0.905 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.983 0.844 7.325 1.00 0.00 H new ATOM 618 N LEU A 42 -3.672 -0.302 5.498 1.00 0.00 N ATOM 619 CA LEU A 42 -4.537 -0.605 4.367 1.00 0.00 C ATOM 620 C LEU A 42 -5.628 0.452 4.299 1.00 0.00 C ATOM 621 O LEU A 42 -6.278 0.741 5.303 1.00 0.00 O ATOM 622 CB LEU A 42 -5.146 -2.009 4.576 1.00 0.00 C ATOM 623 CG LEU A 42 -6.136 -2.463 3.484 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.429 -2.733 2.149 1.00 0.00 C ATOM 625 CD2 LEU A 42 -6.846 -3.754 3.918 1.00 0.00 C ATOM 0 H LEU A 42 -4.192 -0.216 6.371 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.979 -0.599 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.335 -2.735 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.658 -2.026 5.538 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.854 -1.654 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.162 -3.050 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.937 -1.822 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.685 -3.518 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.543 -4.065 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.107 -4.539 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.393 -3.575 4.844 1.00 0.00 H new ATOM 637 N VAL A 43 -5.847 0.980 3.102 1.00 0.00 N ATOM 638 CA VAL A 43 -6.944 1.858 2.754 1.00 0.00 C ATOM 639 C VAL A 43 -7.898 1.054 1.876 1.00 0.00 C ATOM 640 O VAL A 43 -7.479 0.293 0.999 1.00 0.00 O ATOM 641 CB VAL A 43 -6.400 3.122 2.068 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.530 3.995 1.502 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.608 3.972 3.068 1.00 0.00 C ATOM 0 H VAL A 43 -5.230 0.795 2.311 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.490 2.207 3.631 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.760 2.786 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.104 4.878 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.097 3.424 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.192 4.303 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.229 4.863 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.259 4.267 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.772 3.391 3.457 1.00 0.00 H new ATOM 653 N GLU A 44 -9.194 1.184 2.130 1.00 0.00 N ATOM 654 CA GLU A 44 -10.238 0.504 1.384 1.00 0.00 C ATOM 655 C GLU A 44 -10.448 1.213 0.057 1.00 0.00 C ATOM 656 O GLU A 44 -10.598 2.437 0.022 1.00 0.00 O ATOM 657 CB GLU A 44 -11.528 0.470 2.201 1.00 0.00 C ATOM 658 CG GLU A 44 -11.331 -0.335 3.495 1.00 0.00 C ATOM 659 CD GLU A 44 -12.376 0.036 4.532 1.00 0.00 C ATOM 660 OE1 GLU A 44 -12.329 1.194 5.013 1.00 0.00 O ATOM 661 OE2 GLU A 44 -13.200 -0.835 4.876 1.00 0.00 O ATOM 0 H GLU A 44 -9.553 1.778 2.877 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.940 -0.526 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.838 1.487 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.328 0.026 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.393 -1.401 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.334 -0.149 3.895 1.00 0.00 H new ATOM 668 N LEU A 45 -10.455 0.439 -1.031 1.00 0.00 N ATOM 669 CA LEU A 45 -10.855 0.937 -2.338 1.00 0.00 C ATOM 670 C LEU A 45 -12.332 1.298 -2.279 1.00 0.00 C ATOM 671 O LEU A 45 -13.177 0.481 -1.913 1.00 0.00 O ATOM 672 CB LEU A 45 -10.543 -0.097 -3.434 1.00 0.00 C ATOM 673 CG LEU A 45 -9.107 0.093 -3.960 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.564 -1.190 -4.568 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.000 1.213 -5.004 1.00 0.00 C ATOM 0 H LEU A 45 -10.184 -0.544 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.288 1.831 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.661 -1.105 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.254 0.007 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.513 0.373 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.550 -1.021 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.554 -1.975 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.199 -1.496 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.966 1.301 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.638 0.978 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.319 2.156 -4.560 1.00 0.00 H new ATOM 687 N GLU A 46 -12.621 2.546 -2.609 1.00 0.00 N ATOM 688 CA GLU A 46 -13.886 3.232 -2.411 1.00 0.00 C ATOM 689 C GLU A 46 -14.122 4.112 -3.640 1.00 0.00 C ATOM 690 O GLU A 46 -13.212 4.275 -4.460 1.00 0.00 O ATOM 691 CB GLU A 46 -13.755 4.092 -1.145 1.00 0.00 C ATOM 692 CG GLU A 46 -14.255 3.425 0.138 1.00 0.00 C ATOM 693 CD GLU A 46 -15.778 3.488 0.210 1.00 0.00 C ATOM 694 OE1 GLU A 46 -16.323 4.598 0.404 1.00 0.00 O ATOM 695 OE2 GLU A 46 -16.427 2.449 -0.042 1.00 0.00 O ATOM 0 H GLU A 46 -11.928 3.148 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.721 2.542 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.707 4.362 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.307 5.020 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.926 2.386 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.822 3.922 1.006 1.00 0.00 H new ATOM 702 N LYS A 47 -15.290 4.739 -3.780 1.00 0.00 N ATOM 703 CA LYS A 47 -15.482 5.745 -4.828 1.00 0.00 C ATOM 704 C LYS A 47 -14.530 6.925 -4.611 1.00 0.00 C ATOM 705 O LYS A 47 -13.826 7.312 -5.552 1.00 0.00 O ATOM 706 CB LYS A 47 -16.946 6.203 -4.859 1.00 0.00 C ATOM 707 CG LYS A 47 -17.222 7.239 -5.955 1.00 0.00 C ATOM 708 CD LYS A 47 -17.190 6.656 -7.372 1.00 0.00 C ATOM 709 CE LYS A 47 -17.667 7.752 -8.324 1.00 0.00 C ATOM 710 NZ LYS A 47 -17.792 7.290 -9.719 1.00 0.00 N ATOM 0 H LYS A 47 -16.107 4.573 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.249 5.302 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.590 5.337 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.210 6.627 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.198 7.691 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.484 8.038 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.182 6.333 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.834 5.779 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.632 8.127 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.969 8.588 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.119 8.076 -10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.867 6.958 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.479 6.510 -9.766 1.00 0.00 H new ATOM 724 N GLY A 48 -14.478 7.473 -3.396 1.00 0.00 N ATOM 725 CA GLY A 48 -13.885 8.778 -3.114 1.00 0.00 C ATOM 726 C GLY A 48 -12.458 8.736 -2.578 1.00 0.00 C ATOM 727 O GLY A 48 -12.020 9.703 -1.959 1.00 0.00 O ATOM 0 H GLY A 48 -14.854 7.013 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.896 9.370 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.514 9.297 -2.390 1.00 0.00 H new ATOM 731 N VAL A 49 -11.717 7.642 -2.762 1.00 0.00 N ATOM 732 CA VAL A 49 -10.388 7.462 -2.169 1.00 0.00 C ATOM 733 C VAL A 49 -9.260 7.869 -3.109 1.00 0.00 C ATOM 734 O VAL A 49 -8.330 8.544 -2.681 1.00 0.00 O ATOM 735 CB VAL A 49 -10.296 6.009 -1.675 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.896 5.375 -1.639 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.878 5.939 -0.261 1.00 0.00 C ATOM 0 H VAL A 49 -12.022 6.851 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.259 8.135 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.852 5.433 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.970 4.351 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.472 5.371 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.252 5.952 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.821 4.914 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.309 6.593 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.919 6.260 -0.280 1.00 0.00 H new ATOM 747 N LEU A 50 -9.320 7.499 -4.386 1.00 0.00 N ATOM 748 CA LEU A 50 -8.324 7.887 -5.377 1.00 0.00 C ATOM 749 C LEU A 50 -8.086 9.412 -5.353 1.00 0.00 C ATOM 750 O LEU A 50 -6.919 9.794 -5.268 1.00 0.00 O ATOM 751 CB LEU A 50 -8.774 7.420 -6.770 1.00 0.00 C ATOM 752 CG LEU A 50 -8.468 5.956 -7.179 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.022 5.911 -8.643 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.474 5.165 -6.310 1.00 0.00 C ATOM 0 H LEU A 50 -10.068 6.917 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.377 7.406 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.852 7.568 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.313 8.077 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.415 5.443 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.808 4.881 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.816 6.304 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.124 6.516 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.358 4.159 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.508 5.670 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.851 5.104 -5.289 1.00 0.00 H new ATOM 766 N PRO A 51 -9.111 10.295 -5.330 1.00 0.00 N ATOM 767 CA PRO A 51 -8.914 11.744 -5.267 1.00 0.00 C ATOM 768 C PRO A 51 -8.744 12.210 -3.803 1.00 0.00 C ATOM 769 O PRO A 51 -9.336 13.202 -3.374 1.00 0.00 O ATOM 770 CB PRO A 51 -10.189 12.293 -5.915 1.00 0.00 C ATOM 771 CG PRO A 51 -11.257 11.358 -5.347 1.00 0.00 C ATOM 772 CD PRO A 51 -10.542 10.015 -5.272 1.00 0.00 C ATOM 0 HA PRO A 51 -8.013 12.091 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.370 13.333 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.145 12.250 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.599 11.687 -4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.135 11.311 -5.992 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.797 9.493 -4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.843 9.370 -6.097 1.00 0.00 H new ATOM 780 N GLN A 52 -7.953 11.474 -3.026 1.00 0.00 N ATOM 781 CA GLN A 52 -7.440 11.768 -1.690 1.00 0.00 C ATOM 782 C GLN A 52 -6.072 11.105 -1.498 1.00 0.00 C ATOM 783 O GLN A 52 -5.291 11.562 -0.664 1.00 0.00 O ATOM 784 CB GLN A 52 -8.372 11.244 -0.584 1.00 0.00 C ATOM 785 CG GLN A 52 -9.744 11.912 -0.570 1.00 0.00 C ATOM 786 CD GLN A 52 -10.502 11.580 0.711 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.189 12.101 1.787 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.503 10.723 0.635 1.00 0.00 N ATOM 0 H GLN A 52 -7.622 10.565 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.369 12.853 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.502 10.169 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.894 11.396 0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.627 12.992 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.321 11.583 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.747 10.303 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.032 10.481 1.473 1.00 0.00 H new ATOM 797 N LEU A 53 -5.754 10.059 -2.269 1.00 0.00 N ATOM 798 CA LEU A 53 -4.454 9.393 -2.290 1.00 0.00 C ATOM 799 C LEU A 53 -3.519 10.270 -3.116 1.00 0.00 C ATOM 800 O LEU A 53 -3.930 11.313 -3.632 1.00 0.00 O ATOM 801 CB LEU A 53 -4.618 7.984 -2.906 1.00 0.00 C ATOM 802 CG LEU A 53 -5.041 6.853 -1.944 1.00 0.00 C ATOM 803 CD1 LEU A 53 -3.835 6.141 -1.340 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.865 7.296 -0.752 1.00 0.00 C ATOM 0 H LEU A 53 -6.421 9.641 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.040 9.263 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.357 8.046 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.672 7.702 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.641 6.210 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.176 5.353 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.234 5.704 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.232 6.857 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.112 6.430 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.293 8.010 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.784 7.767 -1.100 1.00 0.00 H new ATOM 816 N GLU A 54 -2.244 9.898 -3.183 1.00 0.00 N ATOM 817 CA GLU A 54 -1.283 10.612 -4.001 1.00 0.00 C ATOM 818 C GLU A 54 -1.549 10.181 -5.429 1.00 0.00 C ATOM 819 O GLU A 54 -2.460 10.711 -6.072 1.00 0.00 O ATOM 820 CB GLU A 54 0.143 10.352 -3.498 1.00 0.00 C ATOM 821 CG GLU A 54 0.314 10.893 -2.073 1.00 0.00 C ATOM 822 CD GLU A 54 1.634 11.636 -1.899 1.00 0.00 C ATOM 823 OE1 GLU A 54 1.705 12.822 -2.296 1.00 0.00 O ATOM 824 OE2 GLU A 54 2.540 11.072 -1.247 1.00 0.00 O ATOM 0 H GLU A 54 -1.856 9.102 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.387 11.695 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.352 9.282 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.863 10.828 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.513 11.563 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.267 10.067 -1.363 1.00 0.00 H new ATOM 831 N GLN A 55 -0.828 9.167 -5.895 1.00 0.00 N ATOM 832 CA GLN A 55 -0.921 8.723 -7.266 1.00 0.00 C ATOM 833 C GLN A 55 -0.472 7.285 -7.467 1.00 0.00 C ATOM 834 O GLN A 55 -1.262 6.565 -8.065 1.00 0.00 O ATOM 835 CB GLN A 55 -0.140 9.660 -8.182 1.00 0.00 C ATOM 836 CG GLN A 55 -1.076 10.570 -8.985 1.00 0.00 C ATOM 837 CD GLN A 55 -1.636 9.898 -10.223 1.00 0.00 C ATOM 838 OE1 GLN A 55 -1.541 10.432 -11.321 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.280 8.751 -10.107 1.00 0.00 N ATOM 0 H GLN A 55 -0.167 8.636 -5.328 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.978 8.753 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.539 10.270 -7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.474 9.074 -8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.900 10.888 -8.347 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.535 11.469 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.362 8.302 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.695 8.314 -10.930 1.00 0.00 H new ATOM 848 N PRO A 56 0.733 6.846 -7.056 1.00 0.00 N ATOM 849 CA PRO A 56 1.109 5.454 -7.188 1.00 0.00 C ATOM 850 C PRO A 56 0.369 4.640 -6.130 1.00 0.00 C ATOM 851 O PRO A 56 0.791 4.489 -4.981 1.00 0.00 O ATOM 852 CB PRO A 56 2.628 5.402 -7.127 1.00 0.00 C ATOM 853 CG PRO A 56 3.029 6.662 -6.372 1.00 0.00 C ATOM 854 CD PRO A 56 1.886 7.643 -6.658 1.00 0.00 C ATOM 0 HA PRO A 56 0.817 5.001 -8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.973 4.505 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.064 5.384 -8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.134 6.471 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.986 7.050 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.657 8.238 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.164 8.340 -7.448 1.00 0.00 H new ATOM 862 N TYR A 57 -0.804 4.166 -6.525 1.00 0.00 N ATOM 863 CA TYR A 57 -1.709 3.401 -5.687 1.00 0.00 C ATOM 864 C TYR A 57 -1.202 1.955 -5.632 1.00 0.00 C ATOM 865 O TYR A 57 -1.587 1.132 -6.461 1.00 0.00 O ATOM 866 CB TYR A 57 -3.143 3.501 -6.241 1.00 0.00 C ATOM 867 CG TYR A 57 -3.606 4.897 -6.632 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.432 5.986 -5.754 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.146 5.112 -7.917 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.790 7.286 -6.153 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.491 6.417 -8.328 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.341 7.500 -7.431 1.00 0.00 C ATOM 873 OH TYR A 57 -4.695 8.765 -7.790 1.00 0.00 O ATOM 0 H TYR A 57 -1.161 4.310 -7.469 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.735 3.797 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.220 2.855 -7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.830 3.107 -5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.021 5.821 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.295 4.278 -8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.643 8.118 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.869 6.588 -9.325 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.059 8.757 -8.700 1.00 0.00 H new ATOM 883 N VAL A 58 -0.313 1.654 -4.681 1.00 0.00 N ATOM 884 CA VAL A 58 0.160 0.313 -4.302 1.00 0.00 C ATOM 885 C VAL A 58 -1.022 -0.583 -3.895 1.00 0.00 C ATOM 886 O VAL A 58 -1.419 -0.660 -2.733 1.00 0.00 O ATOM 887 CB VAL A 58 1.305 0.401 -3.290 1.00 0.00 C ATOM 888 CG1 VAL A 58 0.980 1.352 -2.203 1.00 0.00 C ATOM 889 CG2 VAL A 58 1.837 -0.965 -2.862 1.00 0.00 C ATOM 0 H VAL A 58 0.125 2.383 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 58 0.601 -0.186 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 58 2.173 0.835 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.810 1.396 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.810 2.342 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.081 1.019 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.647 -0.832 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.034 -1.540 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.211 -1.500 -3.735 1.00 0.00 H new ATOM 899 N PHE A 59 -1.648 -1.227 -4.869 1.00 0.00 N ATOM 900 CA PHE A 59 -2.828 -2.034 -4.659 1.00 0.00 C ATOM 901 C PHE A 59 -2.495 -3.398 -4.116 1.00 0.00 C ATOM 902 O PHE A 59 -1.364 -3.879 -4.184 1.00 0.00 O ATOM 903 CB PHE A 59 -3.548 -2.190 -5.995 1.00 0.00 C ATOM 904 CG PHE A 59 -4.203 -0.950 -6.553 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.058 -0.168 -5.756 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.987 -0.606 -7.896 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.690 0.963 -6.302 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.653 0.504 -8.445 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.512 1.281 -7.654 1.00 0.00 C ATOM 0 H PHE A 59 -1.341 -1.199 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.458 -1.533 -3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.831 -2.557 -6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.312 -2.959 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.229 -0.436 -4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.313 -1.191 -8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.313 1.587 -5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.502 0.760 -9.483 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.034 2.122 -8.086 1.00 0.00 H new ATOM 919 N ILE A 60 -3.552 -4.054 -3.651 1.00 0.00 N ATOM 920 CA ILE A 60 -3.531 -5.456 -3.337 1.00 0.00 C ATOM 921 C ILE A 60 -4.674 -6.136 -4.062 1.00 0.00 C ATOM 922 O ILE A 60 -5.821 -5.703 -3.977 1.00 0.00 O ATOM 923 CB ILE A 60 -3.525 -5.675 -1.821 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.795 -5.186 -1.115 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.263 -5.056 -1.234 1.00 0.00 C ATOM 926 CD1 ILE A 60 -4.909 -5.655 0.329 1.00 0.00 C ATOM 0 H ILE A 60 -4.455 -3.610 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.609 -5.918 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.520 -6.750 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.816 -4.096 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.666 -5.533 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.251 -5.208 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.386 -5.529 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.247 -3.988 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.832 -5.271 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.920 -6.745 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.057 -5.286 0.900 1.00 0.00 H new ATOM 938 N LYS A 61 -4.372 -7.195 -4.795 1.00 0.00 N ATOM 939 CA LYS A 61 -5.333 -7.976 -5.572 1.00 0.00 C ATOM 940 C LYS A 61 -5.202 -9.419 -5.136 1.00 0.00 C ATOM 941 O LYS A 61 -4.116 -9.819 -4.730 1.00 0.00 O ATOM 942 CB LYS A 61 -5.095 -7.769 -7.079 1.00 0.00 C ATOM 943 CG LYS A 61 -3.616 -7.740 -7.488 1.00 0.00 C ATOM 944 CD LYS A 61 -3.356 -8.420 -8.839 1.00 0.00 C ATOM 945 CE LYS A 61 -4.191 -7.803 -9.950 1.00 0.00 C ATOM 946 NZ LYS A 61 -4.088 -8.580 -11.206 1.00 0.00 N ATOM 0 H LYS A 61 -3.419 -7.551 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.357 -7.651 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.595 -8.567 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.562 -6.832 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.278 -6.705 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.022 -8.233 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.299 -8.338 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.583 -9.483 -8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.234 -7.753 -9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.862 -6.779 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.670 -8.130 -11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.096 -8.606 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.425 -9.550 -11.043 1.00 0.00 H new ATOM 960 N ARG A 62 -6.290 -10.196 -5.146 1.00 0.00 N ATOM 961 CA ARG A 62 -6.321 -11.558 -4.591 1.00 0.00 C ATOM 962 C ARG A 62 -5.601 -12.599 -5.459 1.00 0.00 C ATOM 963 O ARG A 62 -6.202 -13.561 -5.924 1.00 0.00 O ATOM 964 CB ARG A 62 -7.747 -11.973 -4.195 1.00 0.00 C ATOM 965 CG ARG A 62 -8.639 -11.963 -5.433 1.00 0.00 C ATOM 966 CD ARG A 62 -9.633 -13.140 -5.506 1.00 0.00 C ATOM 967 NE ARG A 62 -9.858 -13.587 -6.895 1.00 0.00 N ATOM 968 CZ ARG A 62 -10.502 -12.923 -7.862 1.00 0.00 C ATOM 969 NH1 ARG A 62 -11.232 -11.856 -7.564 1.00 0.00 N ATOM 970 NH2 ARG A 62 -10.387 -13.339 -9.113 1.00 0.00 N ATOM 0 H ARG A 62 -7.182 -9.898 -5.542 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.735 -11.528 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.738 -12.967 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.141 -11.289 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.198 -11.028 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.008 -11.979 -6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.253 -13.973 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.583 -12.841 -5.063 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.482 -14.502 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.303 -11.541 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.722 -11.351 -8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.814 -14.155 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.872 -12.844 -9.862 1.00 0.00 H new ATOM 984 N SER A 63 -4.302 -12.408 -5.636 1.00 0.00 N ATOM 985 CA SER A 63 -3.413 -13.177 -6.492 1.00 0.00 C ATOM 986 C SER A 63 -4.100 -13.267 -7.854 1.00 0.00 C ATOM 987 O SER A 63 -4.444 -12.239 -8.438 1.00 0.00 O ATOM 988 CB SER A 63 -3.163 -14.524 -5.770 1.00 0.00 C ATOM 989 OG SER A 63 -2.360 -15.463 -6.478 1.00 0.00 O ATOM 0 H SER A 63 -3.808 -11.659 -5.151 1.00 0.00 H new ATOM 0 HA SER A 63 -2.430 -12.740 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.689 -14.319 -4.810 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.127 -14.986 -5.557 1.00 0.00 H new ATOM 0 HG SER A 63 -2.259 -16.277 -5.942 1.00 0.00 H new ATOM 995 N ASP A 64 -4.439 -14.479 -8.273 1.00 0.00 N ATOM 996 CA ASP A 64 -5.526 -14.811 -9.177 1.00 0.00 C ATOM 997 C ASP A 64 -5.757 -16.310 -9.068 1.00 0.00 C ATOM 998 O ASP A 64 -6.902 -16.762 -9.077 1.00 0.00 O ATOM 999 CB ASP A 64 -5.190 -14.418 -10.627 1.00 0.00 C ATOM 1000 CG ASP A 64 -6.303 -13.624 -11.314 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -7.508 -13.897 -11.094 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -5.941 -12.712 -12.097 1.00 0.00 O ATOM 0 H ASP A 64 -3.928 -15.308 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.424 -14.258 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.275 -13.826 -10.633 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.989 -15.321 -11.203 1.00 0.00 H new ATOM 1007 N ALA A 65 -4.680 -17.094 -8.954 1.00 0.00 N ATOM 1008 CA ALA A 65 -4.744 -18.539 -8.826 1.00 0.00 C ATOM 1009 C ALA A 65 -4.622 -18.966 -7.370 1.00 0.00 C ATOM 1010 O ALA A 65 -3.618 -18.710 -6.697 1.00 0.00 O ATOM 1011 CB ALA A 65 -3.650 -19.187 -9.635 1.00 0.00 C ATOM 0 H ALA A 65 -3.728 -16.729 -8.949 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.713 -18.864 -9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.712 -20.270 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.766 -18.918 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.680 -18.842 -9.277 1.00 0.00 H new ATOM 1017 N LEU A 66 -5.704 -19.575 -6.917 1.00 0.00 N ATOM 1018 CA LEU A 66 -6.063 -20.032 -5.583 1.00 0.00 C ATOM 1019 C LEU A 66 -7.262 -20.979 -5.742 1.00 0.00 C ATOM 1020 O LEU A 66 -7.834 -21.077 -6.832 1.00 0.00 O ATOM 1021 CB LEU A 66 -6.468 -18.859 -4.677 1.00 0.00 C ATOM 1022 CG LEU A 66 -7.259 -17.766 -5.426 1.00 0.00 C ATOM 1023 CD1 LEU A 66 -8.539 -17.378 -4.684 1.00 0.00 C ATOM 1024 CD2 LEU A 66 -6.346 -16.561 -5.565 1.00 0.00 C ATOM 0 H LEU A 66 -6.458 -19.791 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.208 -20.526 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.072 -19.236 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.572 -18.417 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.567 -18.142 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.065 -16.606 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.180 -18.254 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.285 -16.997 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.872 -15.765 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.053 -16.210 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.456 -16.842 -6.128 1.00 0.00 H new ATOM 1036 N SER A 67 -7.694 -21.620 -4.656 1.00 0.00 N ATOM 1037 CA SER A 67 -8.877 -22.467 -4.616 1.00 0.00 C ATOM 1038 C SER A 67 -9.562 -22.262 -3.262 1.00 0.00 C ATOM 1039 O SER A 67 -8.898 -22.076 -2.238 1.00 0.00 O ATOM 1040 CB SER A 67 -8.422 -23.915 -4.871 1.00 0.00 C ATOM 1041 OG SER A 67 -9.293 -24.899 -4.336 1.00 0.00 O ATOM 0 H SER A 67 -7.215 -21.560 -3.758 1.00 0.00 H new ATOM 0 HA SER A 67 -9.610 -22.217 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.331 -24.072 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.429 -24.053 -4.443 1.00 0.00 H new ATOM 0 HG SER A 67 -8.942 -25.791 -4.538 1.00 0.00 H new ATOM 1047 N THR A 68 -10.894 -22.315 -3.242 1.00 0.00 N ATOM 1048 CA THR A 68 -11.699 -22.397 -2.032 1.00 0.00 C ATOM 1049 C THR A 68 -11.879 -23.889 -1.724 1.00 0.00 C ATOM 1050 O THR A 68 -12.964 -24.448 -1.901 1.00 0.00 O ATOM 1051 CB THR A 68 -13.033 -21.650 -2.239 1.00 0.00 C ATOM 1052 OG1 THR A 68 -12.795 -20.310 -2.636 1.00 0.00 O ATOM 1053 CG2 THR A 68 -13.892 -21.587 -0.975 1.00 0.00 C ATOM 0 H THR A 68 -11.455 -22.301 -4.094 1.00 0.00 H new ATOM 0 HA THR A 68 -11.221 -21.915 -1.179 1.00 0.00 H new ATOM 0 HB THR A 68 -13.563 -22.215 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.651 -19.850 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 68 -14.815 -21.049 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 68 -14.130 -22.599 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 68 -13.344 -21.069 -0.188 1.00 0.00 H new ATOM 1061 N ASN A 69 -10.802 -24.572 -1.340 1.00 0.00 N ATOM 1062 CA ASN A 69 -10.910 -25.763 -0.505 1.00 0.00 C ATOM 1063 C ASN A 69 -10.099 -25.461 0.746 1.00 0.00 C ATOM 1064 O ASN A 69 -10.527 -24.644 1.565 1.00 0.00 O ATOM 1065 CB ASN A 69 -10.504 -27.047 -1.259 1.00 0.00 C ATOM 1066 CG ASN A 69 -11.602 -27.541 -2.191 1.00 0.00 C ATOM 1067 OD1 ASN A 69 -12.779 -27.531 -1.849 1.00 0.00 O ATOM 1068 ND2 ASN A 69 -11.252 -27.994 -3.380 1.00 0.00 N ATOM 0 H ASN A 69 -9.847 -24.320 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.940 -25.980 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.599 -26.856 -1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.263 -27.828 -0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.964 -28.340 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.270 -27.998 -3.655 1.00 0.00 H new ATOM 1075 N HIS A 70 -8.871 -25.975 0.831 1.00 0.00 N ATOM 1076 CA HIS A 70 -8.021 -25.823 2.000 1.00 0.00 C ATOM 1077 C HIS A 70 -7.004 -24.709 1.738 1.00 0.00 C ATOM 1078 O HIS A 70 -5.798 -24.945 1.644 1.00 0.00 O ATOM 1079 CB HIS A 70 -7.403 -27.181 2.369 1.00 0.00 C ATOM 1080 CG HIS A 70 -7.124 -27.339 3.843 1.00 0.00 C ATOM 1081 ND1 HIS A 70 -7.185 -28.532 4.521 1.00 0.00 N ATOM 1082 CD2 HIS A 70 -6.845 -26.358 4.759 1.00 0.00 C ATOM 1083 CE1 HIS A 70 -6.989 -28.290 5.821 1.00 0.00 C ATOM 1084 NE2 HIS A 70 -6.732 -26.984 6.007 1.00 0.00 N ATOM 0 H HIS A 70 -8.440 -26.513 0.079 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.593 -25.513 2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.076 -27.976 2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.472 -27.309 1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.734 -25.303 4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.031 -29.032 6.604 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.498 -26.533 6.892 1.00 0.00 H new ATOM 1092 N GLY A 71 -7.497 -23.484 1.584 1.00 0.00 N ATOM 1093 CA GLY A 71 -6.692 -22.291 1.390 1.00 0.00 C ATOM 1094 C GLY A 71 -7.595 -21.070 1.347 1.00 0.00 C ATOM 1095 O GLY A 71 -8.802 -21.207 1.132 1.00 0.00 O ATOM 0 H GLY A 71 -8.499 -23.292 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.968 -22.193 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.125 -22.369 0.463 1.00 0.00 H new ATOM 1099 N HIS A 72 -7.014 -19.885 1.544 1.00 0.00 N ATOM 1100 CA HIS A 72 -7.769 -18.639 1.664 1.00 0.00 C ATOM 1101 C HIS A 72 -7.740 -17.834 0.371 1.00 0.00 C ATOM 1102 O HIS A 72 -7.047 -18.192 -0.592 1.00 0.00 O ATOM 1103 CB HIS A 72 -7.270 -17.812 2.854 1.00 0.00 C ATOM 1104 CG HIS A 72 -7.348 -18.548 4.163 1.00 0.00 C ATOM 1105 ND1 HIS A 72 -8.455 -18.756 4.960 1.00 0.00 N ATOM 1106 CD2 HIS A 72 -6.300 -19.195 4.735 1.00 0.00 C ATOM 1107 CE1 HIS A 72 -8.068 -19.530 5.990 1.00 0.00 C ATOM 1108 NE2 HIS A 72 -6.747 -19.775 5.920 1.00 0.00 N ATOM 0 H HIS A 72 -6.004 -19.763 1.625 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.811 -18.900 1.851 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.237 -17.514 2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.858 -16.897 2.924 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.296 -19.250 4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.724 -19.902 6.763 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.184 -20.285 6.601 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.455 -16.704 0.359 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.199 -15.634 -0.593 1.00 0.00 C ATOM 1118 C LYS A 73 -6.878 -14.970 -0.225 1.00 0.00 C ATOM 1119 O LYS A 73 -6.810 -14.081 0.623 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.348 -14.616 -0.679 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.402 -15.115 -1.686 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.538 -14.128 -1.995 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.608 -14.112 -0.897 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.798 -13.314 -1.260 1.00 0.00 N ATOM 0 H LYS A 73 -9.220 -16.512 1.006 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.132 -16.065 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.803 -14.481 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.965 -13.644 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.898 -15.366 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.839 -16.037 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.125 -13.126 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.000 -14.395 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.916 -15.135 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.174 -13.711 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.485 -13.341 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.515 -12.329 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.233 -13.710 -2.118 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.814 -15.470 -0.828 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.472 -14.929 -0.723 1.00 0.00 C ATOM 1140 C VAL A 74 -4.360 -13.708 -1.655 1.00 0.00 C ATOM 1141 O VAL A 74 -5.142 -13.623 -2.603 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.503 -16.080 -1.062 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.772 -17.356 -0.239 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.579 -16.491 -2.523 1.00 0.00 C ATOM 0 H VAL A 74 -5.864 -16.295 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.223 -14.566 0.274 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.520 -15.675 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.058 -18.129 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.663 -17.134 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.785 -17.708 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.878 -17.304 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.591 -16.824 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.323 -15.640 -3.154 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.427 -12.769 -1.430 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.308 -11.549 -2.246 1.00 0.00 C ATOM 1156 C VAL A 75 -1.852 -11.284 -2.641 1.00 0.00 C ATOM 1157 O VAL A 75 -0.947 -12.040 -2.277 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.002 -10.326 -1.588 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.511 -10.540 -1.339 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.266 -9.853 -0.333 1.00 0.00 C ATOM 0 H VAL A 75 -2.737 -12.833 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.853 -11.720 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.938 -9.519 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.934 -9.648 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.013 -10.730 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.653 -11.393 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.787 -8.996 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.237 -10.661 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.248 -9.565 -0.595 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.603 -10.239 -3.420 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.274 -9.828 -3.833 1.00 0.00 C ATOM 1172 C GLU A 76 -0.231 -8.310 -3.920 1.00 0.00 C ATOM 1173 O GLU A 76 -1.282 -7.674 -4.020 1.00 0.00 O ATOM 1174 CB GLU A 76 0.092 -10.471 -5.185 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.805 -10.004 -6.345 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.313 -10.515 -7.696 1.00 0.00 C ATOM 1177 OE1 GLU A 76 0.802 -10.131 -8.105 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -1.045 -11.272 -8.368 1.00 0.00 O ATOM 0 H GLU A 76 -2.342 -9.640 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 76 0.459 -10.164 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.130 -10.237 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.022 -11.555 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.824 -10.351 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.838 -8.915 -6.361 1.00 0.00 H new ATOM 1185 N LEU A 77 0.982 -7.760 -3.914 1.00 0.00 N ATOM 1186 CA LEU A 77 1.262 -6.361 -4.196 1.00 0.00 C ATOM 1187 C LEU A 77 1.082 -6.104 -5.689 1.00 0.00 C ATOM 1188 O LEU A 77 1.553 -6.883 -6.518 1.00 0.00 O ATOM 1189 CB LEU A 77 2.722 -6.036 -3.823 1.00 0.00 C ATOM 1190 CG LEU A 77 2.928 -5.668 -2.345 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.393 -5.830 -1.924 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.529 -4.216 -2.096 1.00 0.00 C ATOM 0 H LEU A 77 1.823 -8.298 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 77 0.581 -5.738 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.346 -6.897 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.068 -5.209 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 77 2.303 -6.344 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.501 -5.561 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.700 -6.866 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.020 -5.178 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.681 -3.972 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.142 -3.559 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.479 -4.078 -2.352 1.00 0.00 H new ATOM 1204 N VAL A 78 0.489 -4.963 -6.002 1.00 0.00 N ATOM 1205 CA VAL A 78 0.520 -4.236 -7.261 1.00 0.00 C ATOM 1206 C VAL A 78 0.782 -2.773 -6.859 1.00 0.00 C ATOM 1207 O VAL A 78 0.862 -2.453 -5.677 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.808 -4.509 -8.014 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -1.182 -3.614 -9.185 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.830 -5.931 -8.565 1.00 0.00 C ATOM 0 H VAL A 78 -0.082 -4.475 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 78 1.296 -4.537 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.534 -4.305 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.136 -3.938 -9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.267 -2.583 -8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.411 -3.679 -9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.770 -6.103 -9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.002 -6.066 -9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.738 -6.641 -7.743 1.00 0.00 H new ATOM 1220 N ALA A 79 0.937 -1.879 -7.823 1.00 0.00 N ATOM 1221 CA ALA A 79 1.018 -0.424 -7.688 1.00 0.00 C ATOM 1222 C ALA A 79 0.588 0.146 -9.039 1.00 0.00 C ATOM 1223 O ALA A 79 0.678 -0.560 -10.046 1.00 0.00 O ATOM 1224 CB ALA A 79 2.443 -0.008 -7.312 1.00 0.00 C ATOM 0 H ALA A 79 1.016 -2.170 -8.798 1.00 0.00 H new ATOM 0 HA ALA A 79 0.374 -0.045 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.492 1.077 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.719 -0.471 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.134 -0.334 -8.089 1.00 0.00 H new ATOM 1230 N GLU A 80 0.106 1.383 -9.103 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.454 1.928 -10.335 1.00 0.00 C ATOM 1232 C GLU A 80 -0.498 3.447 -10.252 1.00 0.00 C ATOM 1233 O GLU A 80 -1.117 3.959 -9.324 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.865 1.369 -10.528 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.028 0.531 -11.795 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.559 1.241 -13.064 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -1.711 2.481 -13.158 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.080 0.506 -13.955 1.00 0.00 O ATOM 0 H GLU A 80 0.092 2.029 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 80 0.169 1.644 -11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.125 0.758 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.573 2.197 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.469 -0.397 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.077 0.259 -11.908 1.00 0.00 H new ATOM 1245 N MET A 81 0.126 4.157 -11.197 1.00 0.00 N ATOM 1246 CA MET A 81 0.105 5.618 -11.230 1.00 0.00 C ATOM 1247 C MET A 81 -1.096 6.177 -11.997 1.00 0.00 C ATOM 1248 O MET A 81 -1.183 7.389 -12.149 1.00 0.00 O ATOM 1249 CB MET A 81 1.402 6.215 -11.792 1.00 0.00 C ATOM 1250 CG MET A 81 1.625 5.904 -13.278 1.00 0.00 C ATOM 1251 SD MET A 81 2.528 7.165 -14.212 1.00 0.00 S ATOM 1252 CE MET A 81 4.061 7.218 -13.255 1.00 0.00 C ATOM 0 H MET A 81 0.658 3.734 -11.958 1.00 0.00 H new ATOM 0 HA MET A 81 0.012 5.921 -10.187 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.385 7.296 -11.654 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.247 5.834 -11.218 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.167 4.961 -13.357 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.654 5.754 -13.749 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.785 7.855 -13.763 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.857 7.620 -12.263 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.467 6.211 -13.162 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.021 5.366 -12.510 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.318 5.881 -12.982 1.00 0.00 C ATOM 1264 C ASP A 82 -4.425 4.874 -12.677 1.00 0.00 C ATOM 1265 O ASP A 82 -5.427 4.734 -13.381 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.232 6.264 -14.462 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.400 7.133 -14.935 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -5.237 7.590 -14.121 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -4.406 7.418 -16.159 1.00 0.00 O ATOM 0 H ASP A 82 -1.904 4.358 -12.611 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.573 6.794 -12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.298 6.797 -14.638 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.198 5.355 -15.063 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.180 4.085 -11.631 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.993 2.985 -11.164 1.00 0.00 C ATOM 1276 C GLY A 83 -5.287 1.902 -12.208 1.00 0.00 C ATOM 1277 O GLY A 83 -6.010 0.960 -11.887 1.00 0.00 O ATOM 0 H GLY A 83 -3.349 4.215 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.494 2.521 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.940 3.383 -10.800 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.687 1.989 -13.404 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.234 1.639 -14.715 1.00 0.00 C ATOM 1283 C ILE A 84 -6.348 0.599 -14.640 1.00 0.00 C ATOM 1284 O ILE A 84 -7.503 0.898 -14.937 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.068 1.264 -15.675 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.316 2.557 -16.071 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.484 0.520 -16.960 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -1.945 2.339 -16.713 1.00 0.00 C ATOM 0 H ILE A 84 -3.730 2.334 -13.481 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.736 2.511 -15.134 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.442 0.566 -15.120 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.939 3.123 -16.764 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.189 3.172 -15.180 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.599 0.305 -17.559 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.978 -0.415 -16.695 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.169 1.143 -17.535 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.499 3.304 -16.954 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.299 1.804 -16.018 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.059 1.754 -17.625 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.991 -0.639 -14.325 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.869 -1.790 -14.427 1.00 0.00 C ATOM 1302 C GLN A 85 -7.417 -2.163 -13.053 1.00 0.00 C ATOM 1303 O GLN A 85 -8.568 -2.574 -12.919 1.00 0.00 O ATOM 1304 CB GLN A 85 -6.024 -2.906 -15.066 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.446 -4.344 -14.767 1.00 0.00 C ATOM 1306 CD GLN A 85 -7.920 -4.685 -15.021 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -8.525 -5.428 -14.252 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -8.518 -4.185 -16.090 1.00 0.00 N ATOM 0 H GLN A 85 -5.059 -0.873 -13.983 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.748 -1.595 -15.041 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.037 -2.766 -16.147 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.992 -2.780 -14.740 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.831 -5.013 -15.369 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.220 -4.557 -13.722 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.004 -3.569 -16.720 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.493 -4.415 -16.284 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.563 -2.106 -12.038 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.833 -2.752 -10.771 1.00 0.00 C ATOM 1319 C TYR A 86 -7.767 -1.901 -9.915 1.00 0.00 C ATOM 1320 O TYR A 86 -8.568 -2.458 -9.167 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.511 -2.997 -10.057 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.418 -3.540 -10.955 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.396 -4.893 -11.318 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.416 -2.680 -11.420 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.303 -5.413 -12.039 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.351 -3.180 -12.186 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.271 -4.556 -12.480 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.197 -5.049 -13.155 1.00 0.00 O ATOM 0 H TYR A 86 -5.671 -1.613 -12.075 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.333 -3.704 -10.946 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.171 -2.062 -9.613 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.676 -3.697 -9.238 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.218 -5.538 -11.045 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.463 -1.626 -11.188 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.254 -6.470 -12.255 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.590 -2.507 -12.552 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.588 -4.315 -13.381 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.683 -0.571 -10.014 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.612 0.307 -9.326 1.00 0.00 C ATOM 1340 C GLY A 87 -10.024 0.035 -9.834 1.00 0.00 C ATOM 1341 O GLY A 87 -10.201 -0.379 -10.982 1.00 0.00 O ATOM 0 H GLY A 87 -6.977 -0.086 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.561 0.140 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.344 1.349 -9.500 1.00 0.00 H new ATOM 1345 N ARG A 88 -11.031 0.254 -8.980 1.00 0.00 N ATOM 1346 CA ARG A 88 -12.461 0.040 -9.229 1.00 0.00 C ATOM 1347 C ARG A 88 -12.827 -1.447 -9.428 1.00 0.00 C ATOM 1348 O ARG A 88 -13.990 -1.817 -9.241 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.873 0.963 -10.395 1.00 0.00 C ATOM 1350 CG ARG A 88 -14.368 1.202 -10.602 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.946 2.392 -9.821 1.00 0.00 C ATOM 1352 NE ARG A 88 -15.481 2.019 -8.501 1.00 0.00 N ATOM 1353 CZ ARG A 88 -16.719 1.578 -8.250 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -17.562 1.304 -9.248 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -17.132 1.425 -6.994 1.00 0.00 N ATOM 0 H ARG A 88 -10.858 0.607 -8.039 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.042 0.310 -8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.394 1.931 -10.245 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.467 0.545 -11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.552 1.359 -11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.909 0.300 -10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.168 3.144 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.739 2.853 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.850 2.105 -7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.265 1.430 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.503 0.968 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.504 1.644 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.076 1.089 -6.805 1.00 0.00 H new ATOM 1369 N SER A 89 -11.872 -2.321 -9.753 1.00 0.00 N ATOM 1370 CA SER A 89 -12.052 -3.753 -9.948 1.00 0.00 C ATOM 1371 C SER A 89 -12.044 -4.474 -8.596 1.00 0.00 C ATOM 1372 O SER A 89 -11.129 -4.280 -7.794 1.00 0.00 O ATOM 1373 CB SER A 89 -10.927 -4.258 -10.860 1.00 0.00 C ATOM 1374 OG SER A 89 -10.910 -3.476 -12.052 1.00 0.00 O ATOM 0 H SER A 89 -10.905 -2.030 -9.893 1.00 0.00 H new ATOM 0 HA SER A 89 -13.014 -3.958 -10.418 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.967 -4.186 -10.349 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.082 -5.310 -11.102 1.00 0.00 H new ATOM 0 HG SER A 89 -10.000 -3.451 -12.414 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.047 -5.317 -8.335 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.266 -5.949 -7.033 1.00 0.00 C ATOM 1382 C GLY A 90 -12.322 -7.111 -6.715 1.00 0.00 C ATOM 1383 O GLY A 90 -12.286 -7.572 -5.572 1.00 0.00 O ATOM 0 H GLY A 90 -13.740 -5.583 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.162 -5.192 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.293 -6.312 -6.989 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.516 -7.568 -7.679 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.313 -8.351 -7.394 1.00 0.00 C ATOM 1389 C ILE A 91 -9.423 -7.610 -6.396 1.00 0.00 C ATOM 1390 O ILE A 91 -8.787 -8.238 -5.540 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.543 -8.680 -8.697 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.230 -9.404 -8.382 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.271 -7.467 -9.604 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.535 -10.056 -9.583 1.00 0.00 C ATOM 0 H ILE A 91 -11.679 -7.406 -8.673 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.615 -9.297 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.207 -9.333 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.541 -8.691 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.429 -10.174 -7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.728 -7.791 -10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.218 -7.016 -9.902 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.674 -6.734 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.616 -10.541 -9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.198 -10.798 -10.028 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.296 -9.293 -10.324 1.00 0.00 H new ATOM 1406 N THR A 92 -9.355 -6.291 -6.535 1.00 0.00 N ATOM 1407 CA THR A 92 -8.467 -5.455 -5.774 1.00 0.00 C ATOM 1408 C THR A 92 -9.175 -5.071 -4.478 1.00 0.00 C ATOM 1409 O THR A 92 -10.321 -4.612 -4.475 1.00 0.00 O ATOM 1410 CB THR A 92 -8.067 -4.236 -6.596 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.785 -4.631 -7.919 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.797 -3.619 -6.021 1.00 0.00 C ATOM 0 H THR A 92 -9.933 -5.773 -7.197 1.00 0.00 H new ATOM 0 HA THR A 92 -7.546 -5.983 -5.527 1.00 0.00 H new ATOM 0 HB THR A 92 -8.886 -3.518 -6.572 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.102 -3.943 -8.540 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.516 -2.748 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.975 -3.315 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.991 -4.352 -6.049 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.517 -5.302 -3.350 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.139 -5.188 -2.043 1.00 0.00 C ATOM 1422 C LEU A 93 -8.877 -3.812 -1.439 1.00 0.00 C ATOM 1423 O LEU A 93 -9.788 -3.198 -0.882 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.651 -6.302 -1.129 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.785 -7.736 -1.680 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.265 -8.696 -0.615 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.225 -8.128 -2.041 1.00 0.00 C ATOM 0 H LEU A 93 -7.535 -5.574 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.218 -5.295 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.602 -6.120 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.201 -6.242 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.210 -7.787 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.347 -9.721 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.221 -8.470 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.855 -8.584 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.240 -9.149 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.853 -8.063 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.606 -7.451 -2.805 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.652 -3.292 -1.525 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.348 -1.942 -1.064 1.00 0.00 C ATOM 1441 C GLY A 94 -6.038 -1.432 -1.641 1.00 0.00 C ATOM 1442 O GLY A 94 -5.496 -2.037 -2.570 1.00 0.00 O ATOM 0 H GLY A 94 -6.851 -3.791 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.157 -1.270 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.294 -1.933 0.025 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.556 -0.322 -1.090 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.253 0.270 -1.355 1.00 0.00 C ATOM 1448 C VAL A 95 -3.464 0.241 -0.038 1.00 0.00 C ATOM 1449 O VAL A 95 -4.027 0.481 1.030 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.424 1.710 -1.889 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.076 2.412 -2.102 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.173 1.817 -3.208 1.00 0.00 C ATOM 0 H VAL A 95 -6.094 0.216 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.711 -0.287 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.012 2.189 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.247 3.421 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.539 2.464 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.484 1.851 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.243 2.864 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.638 1.259 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.175 1.405 -3.092 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.179 -0.084 -0.107 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.223 -0.126 0.982 1.00 0.00 C ATOM 1464 C LEU A 96 -0.572 1.222 1.167 1.00 0.00 C ATOM 1465 O LEU A 96 -0.351 1.944 0.209 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.164 -1.166 0.600 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.461 -2.531 1.249 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.942 -2.925 1.373 1.00 0.00 C ATOM 1469 CD2 LEU A 96 0.323 -3.626 0.531 1.00 0.00 C ATOM 0 H LEU A 96 -1.750 -0.344 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.717 -0.386 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.133 -1.275 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.820 -0.818 0.914 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.134 -2.419 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.020 -3.905 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.465 -2.187 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.393 -2.963 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.109 -4.589 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.030 -3.655 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.390 -3.417 0.604 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.220 1.548 2.397 1.00 0.00 N ATOM 1482 CA VAL A 97 0.336 2.838 2.784 1.00 0.00 C ATOM 1483 C VAL A 97 1.126 2.624 4.072 1.00 0.00 C ATOM 1484 O VAL A 97 0.941 1.588 4.721 1.00 0.00 O ATOM 1485 CB VAL A 97 -0.819 3.844 2.935 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -1.299 4.295 1.528 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -1.958 3.246 3.803 1.00 0.00 C ATOM 0 H VAL A 97 -0.315 0.904 3.182 1.00 0.00 H new ATOM 0 HA VAL A 97 1.015 3.249 2.037 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.472 4.732 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.117 5.008 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.473 4.767 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.644 3.427 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.764 3.974 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.339 2.341 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.572 3.003 4.793 1.00 0.00 H new ATOM 1497 N PRO A 98 2.035 3.525 4.454 1.00 0.00 N ATOM 1498 CA PRO A 98 2.729 3.378 5.718 1.00 0.00 C ATOM 1499 C PRO A 98 1.734 3.560 6.864 1.00 0.00 C ATOM 1500 O PRO A 98 0.869 4.437 6.819 1.00 0.00 O ATOM 1501 CB PRO A 98 3.856 4.404 5.722 1.00 0.00 C ATOM 1502 CG PRO A 98 3.606 5.303 4.511 1.00 0.00 C ATOM 1503 CD PRO A 98 2.458 4.705 3.718 1.00 0.00 C ATOM 0 HA PRO A 98 3.162 2.387 5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.854 4.983 6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.829 3.917 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.362 6.316 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.502 5.371 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.639 5.418 3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.776 4.442 2.709 1.00 0.00 H new ATOM 1511 N HIS A 99 1.843 2.724 7.893 1.00 0.00 N ATOM 1512 CA HIS A 99 1.195 2.929 9.176 1.00 0.00 C ATOM 1513 C HIS A 99 2.162 3.766 10.007 1.00 0.00 C ATOM 1514 O HIS A 99 3.319 3.369 10.169 1.00 0.00 O ATOM 1515 CB HIS A 99 0.885 1.579 9.842 1.00 0.00 C ATOM 1516 CG HIS A 99 0.287 1.666 11.229 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.660 0.909 12.317 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.754 2.464 11.628 1.00 0.00 C ATOM 1519 CE1 HIS A 99 -0.161 1.215 13.333 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -1.057 2.145 12.955 1.00 0.00 N ATOM 0 H HIS A 99 2.397 1.868 7.853 1.00 0.00 H new ATOM 0 HA HIS A 99 0.239 3.442 9.073 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.198 1.026 9.202 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.806 0.999 9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.252 3.208 11.024 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.110 0.776 14.318 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.807 2.539 13.523 1.00 0.00 H new ATOM 1528 N VAL A 100 1.701 4.905 10.521 1.00 0.00 N ATOM 1529 CA VAL A 100 2.476 5.738 11.443 1.00 0.00 C ATOM 1530 C VAL A 100 1.749 5.836 12.793 1.00 0.00 C ATOM 1531 O VAL A 100 1.725 6.884 13.438 1.00 0.00 O ATOM 1532 CB VAL A 100 2.857 7.083 10.776 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.629 6.856 9.463 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.656 7.990 10.477 1.00 0.00 C ATOM 0 H VAL A 100 0.776 5.279 10.310 1.00 0.00 H new ATOM 0 HA VAL A 100 3.436 5.277 11.674 1.00 0.00 H new ATOM 0 HB VAL A 100 3.485 7.588 11.510 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.882 7.819 9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.543 6.300 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.008 6.288 8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.003 8.912 10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.972 7.477 9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.138 8.226 11.407 1.00 0.00 H new ATOM 1544 N GLY A 101 1.154 4.719 13.225 1.00 0.00 N ATOM 1545 CA GLY A 101 0.512 4.566 14.525 1.00 0.00 C ATOM 1546 C GLY A 101 -0.854 5.238 14.662 1.00 0.00 C ATOM 1547 O GLY A 101 -1.482 5.092 15.710 1.00 0.00 O ATOM 0 H GLY A 101 1.107 3.873 12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.398 3.502 14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.176 4.970 15.289 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.315 5.947 13.625 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.425 6.896 13.635 1.00 0.00 C ATOM 1553 C GLU A 102 -3.678 6.381 14.329 1.00 0.00 C ATOM 1554 O GLU A 102 -3.827 6.603 15.535 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.666 7.439 12.210 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.878 8.742 12.026 1.00 0.00 C ATOM 1557 CD GLU A 102 -2.412 9.897 12.883 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -3.551 9.830 13.400 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.648 10.855 13.125 1.00 0.00 O ATOM 0 H GLU A 102 -0.893 5.865 12.700 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.135 7.739 14.262 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.352 6.703 11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.729 7.618 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.832 8.565 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.909 9.033 10.976 1.00 0.00 H new ATOM 1566 N THR A 103 -4.611 5.762 13.612 1.00 0.00 N ATOM 1567 CA THR A 103 -5.900 5.336 14.137 1.00 0.00 C ATOM 1568 C THR A 103 -6.510 4.380 13.110 1.00 0.00 C ATOM 1569 O THR A 103 -6.926 4.830 12.042 1.00 0.00 O ATOM 1570 CB THR A 103 -6.801 6.566 14.381 1.00 0.00 C ATOM 1571 OG1 THR A 103 -6.323 7.332 15.469 1.00 0.00 O ATOM 1572 CG2 THR A 103 -8.218 6.179 14.767 1.00 0.00 C ATOM 0 H THR A 103 -4.486 5.538 12.625 1.00 0.00 H new ATOM 0 HA THR A 103 -5.794 4.827 15.095 1.00 0.00 H new ATOM 0 HB THR A 103 -6.789 7.119 13.442 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.532 6.898 15.852 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.810 7.080 14.927 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.665 5.589 13.967 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.197 5.590 15.684 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.494 3.060 13.351 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.326 2.144 12.603 1.00 0.00 C ATOM 1582 C PRO A 104 -8.733 2.027 13.178 1.00 0.00 C ATOM 1583 O PRO A 104 -9.031 2.472 14.290 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.588 0.814 12.622 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.769 0.854 13.908 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.576 2.342 14.216 1.00 0.00 C ATOM 0 HA PRO A 104 -7.481 2.501 11.585 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.283 -0.026 12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.948 0.702 11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.289 0.348 14.722 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.811 0.351 13.780 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.785 2.552 15.265 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.546 2.647 14.029 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.576 1.375 12.384 1.00 0.00 N ATOM 1595 CA ILE A 105 -11.001 1.153 12.606 1.00 0.00 C ATOM 1596 C ILE A 105 -11.397 -0.303 12.319 1.00 0.00 C ATOM 1597 O ILE A 105 -12.526 -0.708 12.601 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.804 2.131 11.720 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.433 1.983 10.217 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.675 3.572 12.260 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.448 3.004 9.639 1.00 0.00 C ATOM 0 H ILE A 105 -9.260 0.959 11.508 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.230 1.340 13.655 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.862 1.874 11.774 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.015 0.987 10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.353 2.033 9.635 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.246 4.251 11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.062 3.615 13.278 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.626 3.869 12.257 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.276 2.787 8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.862 4.007 9.740 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.504 2.945 10.180 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.490 -1.088 11.730 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.574 -2.532 11.596 1.00 0.00 C ATOM 1615 C ALA A 106 -9.157 -3.061 11.350 1.00 0.00 C ATOM 1616 O ALA A 106 -8.212 -2.283 11.219 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.518 -2.911 10.441 1.00 0.00 C ATOM 0 H ALA A 106 -9.639 -0.708 11.316 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.983 -2.978 12.503 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.569 -3.996 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.514 -2.515 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.140 -2.490 9.509 1.00 0.00 H new ATOM 1623 N TYR A 107 -9.008 -4.376 11.225 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.786 -5.082 10.865 1.00 0.00 C ATOM 1625 C TYR A 107 -8.154 -6.119 9.806 1.00 0.00 C ATOM 1626 O TYR A 107 -9.181 -6.801 9.909 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.170 -5.722 12.117 1.00 0.00 C ATOM 1628 CG TYR A 107 -6.233 -4.792 12.863 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.783 -3.792 13.682 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.831 -4.877 12.705 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.949 -2.880 14.343 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.991 -3.976 13.384 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.547 -2.989 14.229 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.748 -2.115 14.905 1.00 0.00 O ATOM 0 H TYR A 107 -9.787 -5.016 11.383 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.035 -4.406 10.456 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.970 -6.036 12.788 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.625 -6.621 11.827 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.854 -3.726 13.803 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.405 -5.634 12.063 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.381 -2.091 14.941 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.920 -4.039 13.259 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.808 -2.323 14.723 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.324 -6.230 8.768 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.536 -7.079 7.605 1.00 0.00 C ATOM 1646 C ARG A 108 -6.422 -8.115 7.571 1.00 0.00 C ATOM 1647 O ARG A 108 -5.264 -7.774 7.803 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.539 -6.207 6.347 1.00 0.00 C ATOM 1649 CG ARG A 108 -7.988 -6.999 5.115 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.514 -7.098 4.985 1.00 0.00 C ATOM 1651 NE ARG A 108 -9.892 -8.163 4.046 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.049 -8.299 3.395 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -11.995 -7.362 3.434 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -11.232 -9.413 2.700 1.00 0.00 N ATOM 0 H ARG A 108 -6.450 -5.707 8.717 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.494 -7.596 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.203 -5.355 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.539 -5.806 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.583 -6.527 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.568 -8.004 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.954 -7.296 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.916 -6.145 4.641 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.189 -8.881 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.846 -6.509 3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.868 -7.497 2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.503 -10.126 2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.102 -9.557 2.188 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.744 -9.369 7.292 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.851 -10.515 7.275 1.00 0.00 C ATOM 1670 C ASN A 109 -5.845 -11.098 5.860 1.00 0.00 C ATOM 1671 O ASN A 109 -6.907 -11.261 5.252 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.324 -11.556 8.314 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.840 -11.769 8.452 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -8.633 -11.518 7.545 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.286 -12.212 9.613 1.00 0.00 N ATOM 0 H ASN A 109 -7.702 -9.629 7.056 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.836 -10.220 7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.869 -12.514 8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.934 -11.263 9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.287 -12.346 9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.630 -12.420 10.366 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.666 -11.382 5.301 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.472 -11.837 3.921 1.00 0.00 C ATOM 1684 C VAL A 110 -3.247 -12.770 3.858 1.00 0.00 C ATOM 1685 O VAL A 110 -2.513 -12.852 4.842 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.287 -10.608 3.005 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.558 -9.758 2.846 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.133 -9.682 3.439 1.00 0.00 C ATOM 0 H VAL A 110 -3.789 -11.299 5.815 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.344 -12.395 3.579 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.040 -11.054 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.351 -8.913 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.352 -10.368 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.874 -9.390 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.063 -8.841 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.323 -9.311 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.196 -10.239 3.429 1.00 0.00 H new ATOM 1698 N LEU A 111 -2.969 -13.463 2.738 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.699 -14.205 2.596 1.00 0.00 C ATOM 1700 C LEU A 111 -0.756 -13.460 1.631 1.00 0.00 C ATOM 1701 O LEU A 111 -1.134 -12.430 1.065 1.00 0.00 O ATOM 1702 CB LEU A 111 -1.955 -15.645 2.109 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.550 -16.738 3.017 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.576 -17.306 4.038 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.861 -16.311 3.669 1.00 0.00 C ATOM 0 H LEU A 111 -3.591 -13.526 1.932 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.221 -14.264 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.613 -15.568 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.999 -16.026 1.750 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.773 -17.560 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.077 -18.068 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.726 -17.751 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.226 -16.507 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.235 -17.119 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.692 -15.425 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.595 -16.083 2.896 1.00 0.00 H new ATOM 1717 N LEU A 112 0.470 -13.967 1.464 1.00 0.00 N ATOM 1718 CA LEU A 112 1.603 -13.427 0.714 1.00 0.00 C ATOM 1719 C LEU A 112 2.263 -14.588 -0.050 1.00 0.00 C ATOM 1720 O LEU A 112 2.600 -15.595 0.580 1.00 0.00 O ATOM 1721 CB LEU A 112 2.627 -12.845 1.724 1.00 0.00 C ATOM 1722 CG LEU A 112 3.630 -11.788 1.205 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.953 -11.893 1.976 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.962 -11.854 -0.287 1.00 0.00 C ATOM 0 H LEU A 112 0.716 -14.858 1.897 1.00 0.00 H new ATOM 0 HA LEU A 112 1.277 -12.650 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.069 -12.401 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.199 -13.676 2.137 1.00 0.00 H new ATOM 0 HG LEU A 112 3.117 -10.840 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.652 -11.145 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.770 -11.722 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.377 -12.887 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.673 -11.067 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.399 -12.825 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.051 -11.717 -0.869 1.00 0.00 H new ATOM 1736 N ARG A 113 2.498 -14.467 -1.368 1.00 0.00 N ATOM 1737 CA ARG A 113 3.220 -15.453 -2.175 1.00 0.00 C ATOM 1738 C ARG A 113 4.654 -15.555 -1.678 1.00 0.00 C ATOM 1739 O ARG A 113 5.543 -14.828 -2.132 1.00 0.00 O ATOM 1740 CB ARG A 113 3.254 -15.056 -3.672 1.00 0.00 C ATOM 1741 CG ARG A 113 2.009 -15.385 -4.501 1.00 0.00 C ATOM 1742 CD ARG A 113 1.373 -14.160 -5.207 1.00 0.00 C ATOM 1743 NE ARG A 113 1.356 -14.243 -6.681 1.00 0.00 N ATOM 1744 CZ ARG A 113 2.391 -14.028 -7.507 1.00 0.00 C ATOM 1745 NH1 ARG A 113 3.612 -13.789 -7.035 1.00 0.00 N ATOM 1746 NH2 ARG A 113 2.189 -14.073 -8.817 1.00 0.00 N ATOM 0 H ARG A 113 2.183 -13.662 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 113 2.699 -16.405 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.430 -13.982 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.110 -15.547 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.274 -16.127 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.264 -15.843 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.350 -14.042 -4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.918 -13.263 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 113 0.467 -14.489 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.774 -13.767 -6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.386 -13.628 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.257 -14.269 -9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.965 -13.912 -9.459 1.00 0.00 H new ATOM 1760 N LYS A 114 4.883 -16.494 -0.778 1.00 0.00 N ATOM 1761 CA LYS A 114 6.192 -16.995 -0.436 1.00 0.00 C ATOM 1762 C LYS A 114 6.238 -18.386 -1.009 1.00 0.00 C ATOM 1763 O LYS A 114 5.458 -19.249 -0.602 1.00 0.00 O ATOM 1764 CB LYS A 114 6.377 -16.960 1.081 1.00 0.00 C ATOM 1765 CG LYS A 114 6.707 -15.537 1.578 1.00 0.00 C ATOM 1766 CD LYS A 114 8.027 -15.533 2.356 1.00 0.00 C ATOM 1767 CE LYS A 114 8.510 -14.129 2.714 1.00 0.00 C ATOM 1768 NZ LYS A 114 9.737 -14.202 3.533 1.00 0.00 N ATOM 0 H LYS A 114 4.134 -16.941 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 114 7.008 -16.397 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.468 -17.315 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.179 -17.641 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.776 -14.856 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.901 -15.172 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.904 -16.112 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.792 -16.033 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.705 -13.561 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.731 -13.597 3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.054 -13.240 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 9.539 -14.726 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.483 -14.691 2.998 1.00 0.00 H new ATOM 1782 N ASN A 115 7.079 -18.565 -2.020 1.00 0.00 N ATOM 1783 CA ASN A 115 7.343 -19.876 -2.578 1.00 0.00 C ATOM 1784 C ASN A 115 8.049 -20.718 -1.521 1.00 0.00 C ATOM 1785 O ASN A 115 7.707 -21.887 -1.355 1.00 0.00 O ATOM 1786 CB ASN A 115 8.185 -19.754 -3.857 1.00 0.00 C ATOM 1787 CG ASN A 115 7.786 -20.821 -4.857 1.00 0.00 C ATOM 1788 OD1 ASN A 115 8.504 -21.784 -5.106 1.00 0.00 O ATOM 1789 ND2 ASN A 115 6.620 -20.651 -5.447 1.00 0.00 N ATOM 0 H ASN A 115 7.592 -17.807 -2.471 1.00 0.00 H new ATOM 0 HA ASN A 115 6.408 -20.363 -2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.049 -18.766 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 115 9.243 -19.852 -3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.291 -21.331 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 115 6.046 -19.839 -5.218 1.00 0.00 H new ATOM 1796 N GLY A 116 8.957 -20.096 -0.763 1.00 0.00 N ATOM 1797 CA GLY A 116 9.678 -20.698 0.336 1.00 0.00 C ATOM 1798 C GLY A 116 10.342 -19.635 1.190 1.00 0.00 C ATOM 1799 O GLY A 116 11.189 -20.014 2.028 1.00 0.00 O ATOM 0 H GLY A 116 9.212 -19.120 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.994 -21.287 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.432 -21.384 -0.050 1.00 0.00 H new TER 1803 GLY A 116