USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 961 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 73 THR OG1 : rot 82:sc= -0.153 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -0.215 K(o=-0.37,f=-3.4!) USER MOD Set 2.1: A 24 HIS : no HE2:sc= -0.697 K(o=-1.7,f=-6.9) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.971 K(o=-1.7,f=-3.5!) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.163 X(o=0.9,f=1.1) USER MOD Set 3.2: A 94 TYR OH : rot 175:sc= 0.741 USER MOD Set 4.1: A 19 GLN : amide:sc= -1.36 K(o=-1.2,f=-2.3!) USER MOD Set 4.2: A 20 SER OG : rot 75:sc= 0.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0047 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.04 USER MOD Single : A 27 MET CE :methyl -170:sc= -0.53 (180deg=-0.825) USER MOD Single : A 28 THR OG1 : rot -77:sc= 0.381 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -52:sc= 0.0216 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 44 GLN : amide:sc= -0.919 K(o=-0.92,f=-5!) USER MOD Single : A 45 THR OG1 : rot -150:sc= -1.16 USER MOD Single : A 46 GLN : amide:sc= 0.0253 K(o=0.025,f=-0.86) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 66:sc= 0.685 USER MOD Single : A 58 GLN : amide:sc= -1.03 K(o=-1,f=-4.5!) USER MOD Single : A 63 ASN : amide:sc= -4.22! K(o=-4.2!,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc=-0.00566 (180deg=-0.128) USER MOD Single : A 67 GLN : amide:sc= -3.32! X(o=-3.3!,f=-3.3) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -4.4! K(o=-4.4!,f=-1.9) USER MOD Single : A 81 TYR OH : rot -113:sc= 0.195 USER MOD Single : A 82 ASN : amide:sc= -4.63! C(o=-4.6!,f=-5.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= -0.442 USER MOD Single : A 98 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-4.9!) USER MOD Single : A 102 ASN : amide:sc= -2.98! C(o=-3!,f=-8.1!) USER MOD Single : A 106 TYR OH : rot -175:sc= 1.07 USER MOD Single : A 107 LYS NZ :NH3+ -158:sc= -0.0412 (180deg=-0.297) USER MOD Single : A 110 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0956) USER MOD Single : A 114 THR OG1 : rot 48:sc= 0.955 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 42:sc= 1.14 USER MOD Single : A 123 SER OG : rot 41:sc= 0.264 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.780 4.357 -3.982 1.00 0.00 N ATOM 2 CA GLY A 1 -22.231 4.322 -3.969 1.00 0.00 C ATOM 3 C GLY A 1 -22.790 3.156 -4.760 1.00 0.00 C ATOM 4 O GLY A 1 -23.056 2.091 -4.204 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.447 5.172 -3.428 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.408 3.480 -3.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.444 4.445 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.581 4.259 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.618 5.255 -4.380 1.00 0.00 H new ATOM 8 N SER A 2 -22.969 3.357 -6.062 1.00 0.00 N ATOM 9 CA SER A 2 -23.505 2.315 -6.929 1.00 0.00 C ATOM 10 C SER A 2 -22.959 2.455 -8.347 1.00 0.00 C ATOM 11 O SER A 2 -22.815 3.564 -8.862 1.00 0.00 O ATOM 12 CB SER A 2 -25.033 2.376 -6.951 1.00 0.00 C ATOM 13 OG SER A 2 -25.487 3.653 -7.366 1.00 0.00 O ATOM 0 H SER A 2 -22.751 4.232 -6.539 1.00 0.00 H new ATOM 0 HA SER A 2 -23.193 1.349 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.421 1.612 -7.625 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.423 2.153 -5.958 1.00 0.00 H new ATOM 0 HG SER A 2 -26.467 3.665 -7.373 1.00 0.00 H new ATOM 19 N SER A 3 -22.657 1.322 -8.973 1.00 0.00 N ATOM 20 CA SER A 3 -22.124 1.316 -10.330 1.00 0.00 C ATOM 21 C SER A 3 -23.155 0.778 -11.317 1.00 0.00 C ATOM 22 O SER A 3 -24.236 0.341 -10.926 1.00 0.00 O ATOM 23 CB SER A 3 -20.849 0.473 -10.396 1.00 0.00 C ATOM 24 OG SER A 3 -19.993 0.923 -11.432 1.00 0.00 O ATOM 0 H SER A 3 -22.773 0.396 -8.562 1.00 0.00 H new ATOM 0 HA SER A 3 -21.886 2.344 -10.605 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.326 0.523 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.109 -0.572 -10.563 1.00 0.00 H new ATOM 0 HG SER A 3 -19.185 0.369 -11.452 1.00 0.00 H new ATOM 30 N GLY A 4 -22.810 0.813 -12.601 1.00 0.00 N ATOM 31 CA GLY A 4 -23.716 0.326 -13.625 1.00 0.00 C ATOM 32 C GLY A 4 -23.566 1.074 -14.935 1.00 0.00 C ATOM 33 O GLY A 4 -23.624 0.476 -16.009 1.00 0.00 O ATOM 0 H GLY A 4 -21.920 1.170 -12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.533 -0.735 -13.793 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.743 0.420 -13.272 1.00 0.00 H new ATOM 37 N SER A 5 -23.374 2.386 -14.846 1.00 0.00 N ATOM 38 CA SER A 5 -23.221 3.219 -16.034 1.00 0.00 C ATOM 39 C SER A 5 -21.787 3.169 -16.551 1.00 0.00 C ATOM 40 O SER A 5 -21.188 4.201 -16.854 1.00 0.00 O ATOM 41 CB SER A 5 -23.613 4.664 -15.723 1.00 0.00 C ATOM 42 OG SER A 5 -22.723 5.244 -14.785 1.00 0.00 O ATOM 0 H SER A 5 -23.321 2.896 -13.964 1.00 0.00 H new ATOM 0 HA SER A 5 -23.882 2.830 -16.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.611 5.250 -16.642 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.629 4.692 -15.330 1.00 0.00 H new ATOM 0 HG SER A 5 -22.995 6.168 -14.605 1.00 0.00 H new ATOM 48 N SER A 6 -21.242 1.960 -16.650 1.00 0.00 N ATOM 49 CA SER A 6 -19.877 1.774 -17.127 1.00 0.00 C ATOM 50 C SER A 6 -19.823 1.817 -18.651 1.00 0.00 C ATOM 51 O SER A 6 -20.786 1.458 -19.327 1.00 0.00 O ATOM 52 CB SER A 6 -19.314 0.444 -16.622 1.00 0.00 C ATOM 53 OG SER A 6 -19.386 0.363 -15.209 1.00 0.00 O ATOM 0 H SER A 6 -21.725 1.095 -16.406 1.00 0.00 H new ATOM 0 HA SER A 6 -19.268 2.589 -16.737 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.870 -0.382 -17.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.278 0.339 -16.943 1.00 0.00 H new ATOM 0 HG SER A 6 -19.022 -0.497 -14.912 1.00 0.00 H new ATOM 59 N GLY A 7 -18.688 2.258 -19.185 1.00 0.00 N ATOM 60 CA GLY A 7 -18.528 2.340 -20.625 1.00 0.00 C ATOM 61 C GLY A 7 -17.094 2.607 -21.035 1.00 0.00 C ATOM 62 O GLY A 7 -16.503 1.834 -21.788 1.00 0.00 O ATOM 0 H GLY A 7 -17.876 2.560 -18.646 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.865 1.408 -21.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.167 3.133 -21.014 1.00 0.00 H new ATOM 66 N GLU A 8 -16.533 3.707 -20.540 1.00 0.00 N ATOM 67 CA GLU A 8 -15.160 4.075 -20.862 1.00 0.00 C ATOM 68 C GLU A 8 -14.183 3.008 -20.377 1.00 0.00 C ATOM 69 O GLU A 8 -14.374 2.413 -19.317 1.00 0.00 O ATOM 70 CB GLU A 8 -14.810 5.426 -20.235 1.00 0.00 C ATOM 71 CG GLU A 8 -14.689 5.381 -18.721 1.00 0.00 C ATOM 72 CD GLU A 8 -16.034 5.474 -18.025 1.00 0.00 C ATOM 73 OE1 GLU A 8 -16.799 6.409 -18.339 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.320 4.612 -17.168 1.00 0.00 O ATOM 0 H GLU A 8 -17.009 4.358 -19.915 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.077 4.154 -21.946 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.869 5.780 -20.656 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.575 6.153 -20.509 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.195 4.455 -18.427 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.054 6.201 -18.386 1.00 0.00 H new ATOM 81 N GLU A 9 -13.136 2.771 -21.162 1.00 0.00 N ATOM 82 CA GLU A 9 -12.130 1.775 -20.813 1.00 0.00 C ATOM 83 C GLU A 9 -10.817 2.444 -20.415 1.00 0.00 C ATOM 84 O GLU A 9 -10.551 3.597 -20.754 1.00 0.00 O ATOM 85 CB GLU A 9 -11.894 0.823 -21.987 1.00 0.00 C ATOM 86 CG GLU A 9 -12.860 -0.350 -22.024 1.00 0.00 C ATOM 87 CD GLU A 9 -14.227 0.036 -22.554 1.00 0.00 C ATOM 88 OE1 GLU A 9 -14.289 0.845 -23.503 1.00 0.00 O ATOM 89 OE2 GLU A 9 -15.235 -0.472 -22.020 1.00 0.00 O ATOM 0 H GLU A 9 -12.963 3.255 -22.043 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.501 1.205 -19.961 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.978 1.382 -22.919 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.874 0.441 -21.935 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.442 -1.140 -22.648 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.966 -0.760 -21.020 1.00 0.00 H new ATOM 96 N PRO A 10 -9.977 1.704 -19.677 1.00 0.00 N ATOM 97 CA PRO A 10 -8.678 2.203 -19.216 1.00 0.00 C ATOM 98 C PRO A 10 -7.683 2.371 -20.359 1.00 0.00 C ATOM 99 O PRO A 10 -6.850 1.498 -20.602 1.00 0.00 O ATOM 100 CB PRO A 10 -8.203 1.117 -18.248 1.00 0.00 C ATOM 101 CG PRO A 10 -8.896 -0.122 -18.700 1.00 0.00 C ATOM 102 CD PRO A 10 -10.229 0.321 -19.236 1.00 0.00 C ATOM 0 HA PRO A 10 -8.759 3.191 -18.762 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.120 1.001 -18.284 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.463 1.363 -17.218 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.317 -0.635 -19.468 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.021 -0.823 -17.874 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.560 -0.310 -20.061 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.004 0.278 -18.471 1.00 0.00 H new ATOM 110 N SER A 11 -7.775 3.499 -21.057 1.00 0.00 N ATOM 111 CA SER A 11 -6.884 3.779 -22.177 1.00 0.00 C ATOM 112 C SER A 11 -5.430 3.830 -21.715 1.00 0.00 C ATOM 113 O SER A 11 -4.545 3.263 -22.354 1.00 0.00 O ATOM 114 CB SER A 11 -7.266 5.103 -22.841 1.00 0.00 C ATOM 115 OG SER A 11 -7.098 6.190 -21.946 1.00 0.00 O ATOM 0 H SER A 11 -8.457 4.233 -20.867 1.00 0.00 H new ATOM 0 HA SER A 11 -6.989 2.973 -22.903 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.651 5.259 -23.727 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.303 5.060 -23.175 1.00 0.00 H new ATOM 0 HG SER A 11 -7.347 7.025 -22.395 1.00 0.00 H new ATOM 121 N GLY A 12 -5.193 4.514 -20.600 1.00 0.00 N ATOM 122 CA GLY A 12 -3.847 4.627 -20.071 1.00 0.00 C ATOM 123 C GLY A 12 -3.717 4.031 -18.684 1.00 0.00 C ATOM 124 O GLY A 12 -4.413 3.074 -18.343 1.00 0.00 O ATOM 0 H GLY A 12 -5.910 4.992 -20.054 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.152 4.126 -20.745 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.559 5.678 -20.040 1.00 0.00 H new ATOM 128 N VAL A 13 -2.822 4.597 -17.880 1.00 0.00 N ATOM 129 CA VAL A 13 -2.603 4.115 -16.521 1.00 0.00 C ATOM 130 C VAL A 13 -3.723 4.567 -15.590 1.00 0.00 C ATOM 131 O VAL A 13 -4.224 3.786 -14.782 1.00 0.00 O ATOM 132 CB VAL A 13 -1.255 4.608 -15.961 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.096 4.191 -14.507 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.104 4.083 -16.805 1.00 0.00 C ATOM 0 H VAL A 13 -2.237 5.389 -18.146 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.592 3.026 -16.570 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.239 5.697 -16.005 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.138 4.548 -14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.903 4.622 -13.915 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.132 3.104 -14.434 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.840 4.441 -16.395 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.114 2.993 -16.796 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.213 4.438 -17.830 1.00 0.00 H new ATOM 144 N GLU A 14 -4.111 5.832 -15.711 1.00 0.00 N ATOM 145 CA GLU A 14 -5.173 6.388 -14.879 1.00 0.00 C ATOM 146 C GLU A 14 -6.372 5.445 -14.827 1.00 0.00 C ATOM 147 O GLU A 14 -6.931 5.194 -13.760 1.00 0.00 O ATOM 148 CB GLU A 14 -5.607 7.754 -15.413 1.00 0.00 C ATOM 149 CG GLU A 14 -4.492 8.786 -15.424 1.00 0.00 C ATOM 150 CD GLU A 14 -4.925 10.107 -16.028 1.00 0.00 C ATOM 151 OE1 GLU A 14 -6.135 10.414 -15.977 1.00 0.00 O ATOM 152 OE2 GLU A 14 -4.056 10.834 -16.553 1.00 0.00 O ATOM 0 H GLU A 14 -3.707 6.491 -16.376 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.783 6.509 -13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.989 7.634 -16.427 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.430 8.128 -14.804 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.147 8.953 -14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.645 8.394 -15.987 1.00 0.00 H new ATOM 159 N GLY A 15 -6.762 4.928 -15.988 1.00 0.00 N ATOM 160 CA GLY A 15 -7.892 4.020 -16.053 1.00 0.00 C ATOM 161 C GLY A 15 -7.980 3.116 -14.839 1.00 0.00 C ATOM 162 O GLY A 15 -9.051 2.953 -14.255 1.00 0.00 O ATOM 0 H GLY A 15 -6.316 5.122 -16.884 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.813 4.597 -16.140 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.812 3.409 -16.952 1.00 0.00 H new ATOM 166 N ALA A 16 -6.852 2.525 -14.460 1.00 0.00 N ATOM 167 CA ALA A 16 -6.806 1.633 -13.308 1.00 0.00 C ATOM 168 C ALA A 16 -7.581 2.216 -12.131 1.00 0.00 C ATOM 169 O ALA A 16 -8.363 1.520 -11.485 1.00 0.00 O ATOM 170 CB ALA A 16 -5.364 1.359 -12.910 1.00 0.00 C ATOM 0 H ALA A 16 -5.957 2.648 -14.934 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.278 0.692 -13.589 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.345 0.692 -12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.839 0.891 -13.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.873 2.298 -12.653 1.00 0.00 H new ATOM 176 N ALA A 17 -7.357 3.497 -11.858 1.00 0.00 N ATOM 177 CA ALA A 17 -8.036 4.174 -10.760 1.00 0.00 C ATOM 178 C ALA A 17 -9.524 3.843 -10.746 1.00 0.00 C ATOM 179 O ALA A 17 -10.127 3.691 -9.684 1.00 0.00 O ATOM 180 CB ALA A 17 -7.829 5.678 -10.858 1.00 0.00 C ATOM 0 H ALA A 17 -6.711 4.087 -12.382 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.603 3.819 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.342 6.170 -10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.763 5.903 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.233 6.040 -11.803 1.00 0.00 H new ATOM 186 N PHE A 18 -10.112 3.732 -11.933 1.00 0.00 N ATOM 187 CA PHE A 18 -11.531 3.420 -12.058 1.00 0.00 C ATOM 188 C PHE A 18 -11.915 2.261 -11.143 1.00 0.00 C ATOM 189 O PHE A 18 -12.651 2.440 -10.173 1.00 0.00 O ATOM 190 CB PHE A 18 -11.873 3.075 -13.509 1.00 0.00 C ATOM 191 CG PHE A 18 -13.290 2.612 -13.696 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.352 3.460 -13.427 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.560 1.328 -14.142 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.656 3.036 -13.598 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.862 0.898 -14.315 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.911 1.754 -14.044 1.00 0.00 C ATOM 0 H PHE A 18 -9.627 3.854 -12.822 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.099 4.300 -11.758 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.700 3.952 -14.133 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.195 2.296 -13.859 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.158 4.464 -13.080 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.743 0.655 -14.357 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.475 3.706 -13.383 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.059 -0.106 -14.662 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.929 1.422 -14.181 1.00 0.00 H new ATOM 206 N GLN A 19 -11.412 1.072 -11.461 1.00 0.00 N ATOM 207 CA GLN A 19 -11.704 -0.117 -10.669 1.00 0.00 C ATOM 208 C GLN A 19 -11.272 0.076 -9.219 1.00 0.00 C ATOM 209 O GLN A 19 -11.836 -0.530 -8.307 1.00 0.00 O ATOM 210 CB GLN A 19 -11.001 -1.338 -11.265 1.00 0.00 C ATOM 211 CG GLN A 19 -9.547 -1.471 -10.839 1.00 0.00 C ATOM 212 CD GLN A 19 -9.385 -2.272 -9.562 1.00 0.00 C ATOM 213 OE1 GLN A 19 -10.146 -3.203 -9.298 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.389 -1.913 -8.760 1.00 0.00 N ATOM 0 H GLN A 19 -10.801 0.907 -12.261 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.781 -0.281 -10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.541 -2.238 -10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.049 -1.280 -12.352 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.980 -1.949 -11.638 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.121 -0.478 -10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.782 -1.135 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.231 -2.415 -7.886 1.00 0.00 H new ATOM 223 N SER A 20 -10.268 0.922 -9.013 1.00 0.00 N ATOM 224 CA SER A 20 -9.758 1.192 -7.673 1.00 0.00 C ATOM 225 C SER A 20 -10.782 1.965 -6.847 1.00 0.00 C ATOM 226 O SER A 20 -10.553 2.260 -5.674 1.00 0.00 O ATOM 227 CB SER A 20 -8.449 1.980 -7.752 1.00 0.00 C ATOM 228 OG SER A 20 -7.459 1.254 -8.461 1.00 0.00 O ATOM 0 H SER A 20 -9.791 1.432 -9.756 1.00 0.00 H new ATOM 0 HA SER A 20 -9.570 0.237 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.626 2.936 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.092 2.200 -6.746 1.00 0.00 H new ATOM 0 HG SER A 20 -7.659 1.279 -9.420 1.00 0.00 H new ATOM 234 N ARG A 21 -11.910 2.290 -7.469 1.00 0.00 N ATOM 235 CA ARG A 21 -12.969 3.030 -6.793 1.00 0.00 C ATOM 236 C ARG A 21 -12.384 4.066 -5.837 1.00 0.00 C ATOM 237 O ARG A 21 -12.898 4.271 -4.737 1.00 0.00 O ATOM 238 CB ARG A 21 -13.881 2.071 -6.027 1.00 0.00 C ATOM 239 CG ARG A 21 -13.224 1.451 -4.804 1.00 0.00 C ATOM 240 CD ARG A 21 -12.538 0.138 -5.147 1.00 0.00 C ATOM 241 NE ARG A 21 -11.382 -0.115 -4.290 1.00 0.00 N ATOM 242 CZ ARG A 21 -11.466 -0.673 -3.088 1.00 0.00 C ATOM 243 NH1 ARG A 21 -12.646 -1.036 -2.603 1.00 0.00 N ATOM 244 NH2 ARG A 21 -10.369 -0.871 -2.368 1.00 0.00 N ATOM 0 H ARG A 21 -12.114 2.053 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.555 3.550 -7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.777 2.607 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.203 1.275 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.494 2.147 -4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.975 1.280 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.251 -0.681 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.220 0.157 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.460 0.152 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.492 -0.887 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.708 -1.464 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.459 -0.594 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.435 -1.300 -1.445 1.00 0.00 H new ATOM 258 N LEU A 22 -11.306 4.714 -6.264 1.00 0.00 N ATOM 259 CA LEU A 22 -10.650 5.728 -5.446 1.00 0.00 C ATOM 260 C LEU A 22 -10.001 6.797 -6.321 1.00 0.00 C ATOM 261 O LEU A 22 -9.610 6.547 -7.461 1.00 0.00 O ATOM 262 CB LEU A 22 -9.596 5.082 -4.545 1.00 0.00 C ATOM 263 CG LEU A 22 -8.374 4.496 -5.255 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.291 5.552 -5.410 1.00 0.00 C ATOM 265 CD2 LEU A 22 -7.842 3.291 -4.493 1.00 0.00 C ATOM 0 H LEU A 22 -10.868 4.556 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.408 6.204 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.252 5.828 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.074 4.287 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.677 4.167 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.429 5.118 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.676 6.385 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.990 5.911 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.973 2.887 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.554 3.595 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.617 2.527 -4.434 1.00 0.00 H new ATOM 277 N PRO A 23 -9.882 8.017 -5.775 1.00 0.00 N ATOM 278 CA PRO A 23 -9.279 9.147 -6.487 1.00 0.00 C ATOM 279 C PRO A 23 -7.775 8.977 -6.675 1.00 0.00 C ATOM 280 O PRO A 23 -7.061 8.603 -5.745 1.00 0.00 O ATOM 281 CB PRO A 23 -9.572 10.339 -5.573 1.00 0.00 C ATOM 282 CG PRO A 23 -9.723 9.747 -4.214 1.00 0.00 C ATOM 283 CD PRO A 23 -10.327 8.386 -4.421 1.00 0.00 C ATOM 0 HA PRO A 23 -9.681 9.256 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.761 11.067 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.479 10.860 -5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.759 9.674 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.364 10.367 -3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.976 7.673 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.414 8.414 -4.349 1.00 0.00 H new ATOM 291 N HIS A 24 -7.300 9.256 -7.885 1.00 0.00 N ATOM 292 CA HIS A 24 -5.880 9.135 -8.195 1.00 0.00 C ATOM 293 C HIS A 24 -5.139 10.426 -7.858 1.00 0.00 C ATOM 294 O HIS A 24 -3.923 10.421 -7.661 1.00 0.00 O ATOM 295 CB HIS A 24 -5.686 8.792 -9.672 1.00 0.00 C ATOM 296 CG HIS A 24 -4.356 9.216 -10.216 1.00 0.00 C ATOM 297 ND1 HIS A 24 -3.158 8.725 -9.742 1.00 0.00 N ATOM 298 CD2 HIS A 24 -4.040 10.089 -11.201 1.00 0.00 C ATOM 299 CE1 HIS A 24 -2.162 9.279 -10.410 1.00 0.00 C ATOM 300 NE2 HIS A 24 -2.671 10.110 -11.302 1.00 0.00 N ATOM 0 H HIS A 24 -7.877 9.567 -8.666 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.467 8.330 -7.586 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.797 7.716 -9.804 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.476 9.268 -10.254 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -3.057 8.041 -8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.735 10.662 -11.796 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.111 9.086 -10.254 1.00 0.00 H new ATOM 309 N ASP A 25 -5.878 11.527 -7.796 1.00 0.00 N ATOM 310 CA ASP A 25 -5.291 12.825 -7.483 1.00 0.00 C ATOM 311 C ASP A 25 -5.103 12.988 -5.978 1.00 0.00 C ATOM 312 O ASP A 25 -4.179 13.666 -5.527 1.00 0.00 O ATOM 313 CB ASP A 25 -6.172 13.952 -8.025 1.00 0.00 C ATOM 314 CG ASP A 25 -7.649 13.612 -7.963 1.00 0.00 C ATOM 315 OD1 ASP A 25 -8.109 13.161 -6.894 1.00 0.00 O ATOM 316 OD2 ASP A 25 -8.344 13.797 -8.984 1.00 0.00 O ATOM 0 H ASP A 25 -6.885 11.547 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.313 12.878 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.987 14.861 -7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.893 14.163 -9.058 1.00 0.00 H new ATOM 321 N ARG A 26 -5.987 12.364 -5.206 1.00 0.00 N ATOM 322 CA ARG A 26 -5.920 12.442 -3.751 1.00 0.00 C ATOM 323 C ARG A 26 -5.957 11.049 -3.130 1.00 0.00 C ATOM 324 O ARG A 26 -6.104 10.049 -3.832 1.00 0.00 O ATOM 325 CB ARG A 26 -7.077 13.284 -3.211 1.00 0.00 C ATOM 326 CG ARG A 26 -8.442 12.827 -3.697 1.00 0.00 C ATOM 327 CD ARG A 26 -9.564 13.496 -2.919 1.00 0.00 C ATOM 328 NE ARG A 26 -9.534 14.950 -3.056 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.367 15.765 -2.418 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.290 15.272 -1.604 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.277 17.078 -2.595 1.00 0.00 N ATOM 0 H ARG A 26 -6.758 11.799 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.977 12.917 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.060 13.253 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.926 14.323 -3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.547 13.056 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.522 11.745 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.524 13.119 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.483 13.229 -1.865 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.836 15.362 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.362 14.264 -1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.928 15.901 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.568 17.461 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.917 17.704 -2.105 1.00 0.00 H new ATOM 345 N MET A 27 -5.823 10.992 -1.809 1.00 0.00 N ATOM 346 CA MET A 27 -5.842 9.722 -1.093 1.00 0.00 C ATOM 347 C MET A 27 -7.137 9.563 -0.302 1.00 0.00 C ATOM 348 O MET A 27 -7.770 10.548 0.078 1.00 0.00 O ATOM 349 CB MET A 27 -4.640 9.624 -0.152 1.00 0.00 C ATOM 350 CG MET A 27 -3.312 9.918 -0.829 1.00 0.00 C ATOM 351 SD MET A 27 -2.029 10.408 0.339 1.00 0.00 S ATOM 352 CE MET A 27 -1.894 8.926 1.335 1.00 0.00 C ATOM 0 H MET A 27 -5.700 11.810 -1.213 1.00 0.00 H new ATOM 0 HA MET A 27 -5.785 8.919 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.779 10.320 0.675 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.606 8.623 0.277 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.983 9.033 -1.374 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.451 10.711 -1.564 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.273 9.129 2.207 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.887 8.615 1.661 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.440 8.130 0.744 1.00 0.00 H new ATOM 362 N THR A 28 -7.526 8.315 -0.058 1.00 0.00 N ATOM 363 CA THR A 28 -8.746 8.027 0.686 1.00 0.00 C ATOM 364 C THR A 28 -8.449 7.806 2.165 1.00 0.00 C ATOM 365 O THR A 28 -7.303 7.574 2.550 1.00 0.00 O ATOM 366 CB THR A 28 -9.465 6.785 0.128 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.548 5.688 0.037 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.056 7.073 -1.244 1.00 0.00 C ATOM 0 H THR A 28 -7.014 7.488 -0.365 1.00 0.00 H new ATOM 0 HA THR A 28 -9.396 8.895 0.574 1.00 0.00 H new ATOM 0 HB THR A 28 -10.276 6.525 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.976 5.804 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.559 6.181 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.774 7.889 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.259 7.355 -1.932 1.00 0.00 H new ATOM 376 N SER A 29 -9.488 7.880 2.990 1.00 0.00 N ATOM 377 CA SER A 29 -9.337 7.691 4.428 1.00 0.00 C ATOM 378 C SER A 29 -8.279 6.635 4.729 1.00 0.00 C ATOM 379 O SER A 29 -7.314 6.895 5.447 1.00 0.00 O ATOM 380 CB SER A 29 -10.673 7.284 5.053 1.00 0.00 C ATOM 381 OG SER A 29 -11.592 8.362 5.040 1.00 0.00 O ATOM 0 H SER A 29 -10.444 8.069 2.688 1.00 0.00 H new ATOM 0 HA SER A 29 -9.014 8.637 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.091 6.439 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.512 6.952 6.079 1.00 0.00 H new ATOM 0 HG SER A 29 -12.438 8.076 5.443 1.00 0.00 H new ATOM 387 N GLN A 30 -8.468 5.442 4.175 1.00 0.00 N ATOM 388 CA GLN A 30 -7.530 4.345 4.384 1.00 0.00 C ATOM 389 C GLN A 30 -6.121 4.745 3.960 1.00 0.00 C ATOM 390 O GLN A 30 -5.180 4.665 4.749 1.00 0.00 O ATOM 391 CB GLN A 30 -7.978 3.107 3.605 1.00 0.00 C ATOM 392 CG GLN A 30 -8.281 3.386 2.142 1.00 0.00 C ATOM 393 CD GLN A 30 -9.357 2.475 1.584 1.00 0.00 C ATOM 394 OE1 GLN A 30 -9.195 1.886 0.515 1.00 0.00 O ATOM 395 NE2 GLN A 30 -10.463 2.352 2.308 1.00 0.00 N ATOM 0 H GLN A 30 -9.262 5.210 3.578 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.516 4.110 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.199 2.347 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.867 2.692 4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.596 4.424 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.369 3.266 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.555 2.859 3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.221 1.751 1.984 1.00 0.00 H new ATOM 404 N GLU A 31 -5.985 5.175 2.710 1.00 0.00 N ATOM 405 CA GLU A 31 -4.689 5.586 2.181 1.00 0.00 C ATOM 406 C GLU A 31 -3.994 6.553 3.136 1.00 0.00 C ATOM 407 O GLU A 31 -2.899 6.278 3.626 1.00 0.00 O ATOM 408 CB GLU A 31 -4.858 6.241 0.809 1.00 0.00 C ATOM 409 CG GLU A 31 -5.247 5.264 -0.288 1.00 0.00 C ATOM 410 CD GLU A 31 -5.507 5.951 -1.615 1.00 0.00 C ATOM 411 OE1 GLU A 31 -4.575 6.591 -2.145 1.00 0.00 O ATOM 412 OE2 GLU A 31 -6.643 5.847 -2.123 1.00 0.00 O ATOM 0 H GLU A 31 -6.755 5.248 2.045 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.069 4.696 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.619 7.018 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.925 6.732 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.452 4.529 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.141 4.719 0.016 1.00 0.00 H new ATOM 419 N ALA A 32 -4.638 7.686 3.395 1.00 0.00 N ATOM 420 CA ALA A 32 -4.084 8.693 4.291 1.00 0.00 C ATOM 421 C ALA A 32 -3.777 8.098 5.662 1.00 0.00 C ATOM 422 O ALA A 32 -2.918 8.598 6.387 1.00 0.00 O ATOM 423 CB ALA A 32 -5.044 9.866 4.426 1.00 0.00 C ATOM 0 H ALA A 32 -5.545 7.930 2.997 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.149 9.051 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.617 10.610 5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.210 10.315 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.993 9.515 4.830 1.00 0.00 H new ATOM 429 N ALA A 33 -4.484 7.028 6.009 1.00 0.00 N ATOM 430 CA ALA A 33 -4.286 6.365 7.292 1.00 0.00 C ATOM 431 C ALA A 33 -3.086 5.426 7.245 1.00 0.00 C ATOM 432 O ALA A 33 -2.352 5.291 8.225 1.00 0.00 O ATOM 433 CB ALA A 33 -5.540 5.602 7.691 1.00 0.00 C ATOM 0 H ALA A 33 -5.199 6.602 5.420 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.086 7.131 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.378 5.112 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.377 6.296 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.765 4.851 6.934 1.00 0.00 H new ATOM 439 N CYS A 34 -2.891 4.779 6.101 1.00 0.00 N ATOM 440 CA CYS A 34 -1.780 3.851 5.927 1.00 0.00 C ATOM 441 C CYS A 34 -0.473 4.604 5.697 1.00 0.00 C ATOM 442 O CYS A 34 0.583 4.199 6.183 1.00 0.00 O ATOM 443 CB CYS A 34 -2.053 2.909 4.753 1.00 0.00 C ATOM 444 SG CYS A 34 -3.001 1.435 5.196 1.00 0.00 S ATOM 0 H CYS A 34 -3.488 4.880 5.280 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.684 3.263 6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.592 3.456 3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.102 2.600 4.320 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.183 0.702 4.138 1.00 0.00 H new ATOM 450 N PHE A 35 -0.552 5.700 4.950 1.00 0.00 N ATOM 451 CA PHE A 35 0.624 6.509 4.653 1.00 0.00 C ATOM 452 C PHE A 35 0.448 7.935 5.166 1.00 0.00 C ATOM 453 O PHE A 35 -0.029 8.822 4.459 1.00 0.00 O ATOM 454 CB PHE A 35 0.889 6.527 3.146 1.00 0.00 C ATOM 455 CG PHE A 35 0.847 5.165 2.514 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.358 4.503 2.343 1.00 0.00 C ATOM 457 CD2 PHE A 35 2.013 4.547 2.089 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.399 3.249 1.763 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.978 3.294 1.508 1.00 0.00 C ATOM 460 CZ PHE A 35 0.770 2.644 1.343 1.00 0.00 C ATOM 0 H PHE A 35 -1.418 6.048 4.539 1.00 0.00 H new ATOM 0 HA PHE A 35 1.479 6.062 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.150 7.166 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.866 6.974 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.276 4.972 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.960 5.051 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.345 2.742 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.894 2.823 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.740 1.666 0.887 1.00 0.00 H new ATOM 470 N PRO A 36 0.842 8.162 6.428 1.00 0.00 N ATOM 471 CA PRO A 36 0.738 9.478 7.066 1.00 0.00 C ATOM 472 C PRO A 36 1.717 10.487 6.475 1.00 0.00 C ATOM 473 O PRO A 36 1.388 11.662 6.312 1.00 0.00 O ATOM 474 CB PRO A 36 1.084 9.191 8.529 1.00 0.00 C ATOM 475 CG PRO A 36 1.930 7.966 8.486 1.00 0.00 C ATOM 476 CD PRO A 36 1.420 7.151 7.330 1.00 0.00 C ATOM 0 HA PRO A 36 -0.247 9.922 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.620 10.026 8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.185 9.030 9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.981 8.222 8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.856 7.408 9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.222 6.593 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.674 6.424 7.649 1.00 0.00 H new ATOM 484 N ASP A 37 2.919 10.021 6.156 1.00 0.00 N ATOM 485 CA ASP A 37 3.945 10.883 5.581 1.00 0.00 C ATOM 486 C ASP A 37 3.535 11.366 4.194 1.00 0.00 C ATOM 487 O ASP A 37 3.857 12.486 3.795 1.00 0.00 O ATOM 488 CB ASP A 37 5.280 10.141 5.502 1.00 0.00 C ATOM 489 CG ASP A 37 5.766 9.678 6.862 1.00 0.00 C ATOM 490 OD1 ASP A 37 5.942 10.536 7.752 1.00 0.00 O ATOM 491 OD2 ASP A 37 5.972 8.458 7.035 1.00 0.00 O ATOM 0 H ASP A 37 3.207 9.051 6.286 1.00 0.00 H new ATOM 0 HA ASP A 37 4.059 11.752 6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.175 9.278 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.029 10.794 5.054 1.00 0.00 H new ATOM 496 N ILE A 38 2.823 10.515 3.463 1.00 0.00 N ATOM 497 CA ILE A 38 2.369 10.855 2.120 1.00 0.00 C ATOM 498 C ILE A 38 1.234 11.872 2.165 1.00 0.00 C ATOM 499 O ILE A 38 1.300 12.919 1.521 1.00 0.00 O ATOM 500 CB ILE A 38 1.896 9.607 1.353 1.00 0.00 C ATOM 501 CG1 ILE A 38 3.049 8.615 1.186 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.329 10.002 -0.003 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.262 9.209 0.503 1.00 0.00 C ATOM 0 H ILE A 38 2.548 9.585 3.778 1.00 0.00 H new ATOM 0 HA ILE A 38 3.222 11.289 1.599 1.00 0.00 H new ATOM 0 HB ILE A 38 1.107 9.123 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.341 8.241 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.700 7.758 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.999 9.109 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.482 10.674 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.099 10.507 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.040 8.450 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.985 9.558 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.636 10.048 1.090 1.00 0.00 H new ATOM 515 N ILE A 39 0.195 11.556 2.930 1.00 0.00 N ATOM 516 CA ILE A 39 -0.954 12.444 3.062 1.00 0.00 C ATOM 517 C ILE A 39 -0.555 13.769 3.701 1.00 0.00 C ATOM 518 O ILE A 39 -1.203 14.794 3.488 1.00 0.00 O ATOM 519 CB ILE A 39 -2.072 11.798 3.901 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.310 12.696 3.919 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.584 11.531 5.317 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.034 12.754 2.592 1.00 0.00 C ATOM 0 H ILE A 39 0.125 10.692 3.468 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.327 12.628 2.055 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.344 10.846 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.998 12.337 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.013 13.705 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.385 11.074 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.728 10.856 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.288 12.471 5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.901 13.409 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.361 13.142 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.362 11.753 2.312 1.00 0.00 H new ATOM 534 N SER A 40 0.518 13.742 4.486 1.00 0.00 N ATOM 535 CA SER A 40 1.004 14.941 5.159 1.00 0.00 C ATOM 536 C SER A 40 2.205 15.528 4.423 1.00 0.00 C ATOM 537 O SER A 40 3.088 16.128 5.034 1.00 0.00 O ATOM 538 CB SER A 40 1.385 14.620 6.605 1.00 0.00 C ATOM 539 OG SER A 40 1.357 15.786 7.410 1.00 0.00 O ATOM 0 H SER A 40 1.067 12.903 4.671 1.00 0.00 H new ATOM 0 HA SER A 40 0.202 15.679 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.697 13.878 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.381 14.179 6.633 1.00 0.00 H new ATOM 0 HG SER A 40 1.901 16.486 6.992 1.00 0.00 H new ATOM 545 N GLY A 41 2.229 15.349 3.106 1.00 0.00 N ATOM 546 CA GLY A 41 3.325 15.867 2.307 1.00 0.00 C ATOM 547 C GLY A 41 2.851 16.778 1.193 1.00 0.00 C ATOM 548 O GLY A 41 1.660 17.062 1.058 1.00 0.00 O ATOM 0 H GLY A 41 1.510 14.855 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.013 16.414 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.883 15.035 1.879 1.00 0.00 H new ATOM 552 N PRO A 42 3.796 17.255 0.370 1.00 0.00 N ATOM 553 CA PRO A 42 3.493 18.147 -0.753 1.00 0.00 C ATOM 554 C PRO A 42 2.739 17.436 -1.871 1.00 0.00 C ATOM 555 O PRO A 42 2.869 16.225 -2.047 1.00 0.00 O ATOM 556 CB PRO A 42 4.875 18.591 -1.237 1.00 0.00 C ATOM 557 CG PRO A 42 5.793 17.495 -0.818 1.00 0.00 C ATOM 558 CD PRO A 42 5.235 16.958 0.471 1.00 0.00 C ATOM 0 HA PRO A 42 2.846 18.972 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.890 18.729 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.164 19.542 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.841 16.715 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.808 17.868 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.418 15.888 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.686 17.443 1.337 1.00 0.00 H new ATOM 566 N GLN A 43 1.952 18.197 -2.625 1.00 0.00 N ATOM 567 CA GLN A 43 1.178 17.638 -3.727 1.00 0.00 C ATOM 568 C GLN A 43 2.002 16.623 -4.512 1.00 0.00 C ATOM 569 O GLN A 43 1.507 15.556 -4.874 1.00 0.00 O ATOM 570 CB GLN A 43 0.699 18.753 -4.659 1.00 0.00 C ATOM 571 CG GLN A 43 1.820 19.407 -5.451 1.00 0.00 C ATOM 572 CD GLN A 43 1.432 20.768 -5.996 1.00 0.00 C ATOM 573 OE1 GLN A 43 0.256 21.039 -6.240 1.00 0.00 O ATOM 574 NE2 GLN A 43 2.421 21.632 -6.191 1.00 0.00 N ATOM 0 H GLN A 43 1.834 19.201 -2.493 1.00 0.00 H new ATOM 0 HA GLN A 43 0.312 17.128 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.035 18.344 -5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.190 19.515 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.697 19.512 -4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.103 18.756 -6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.381 21.365 -5.975 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.220 22.563 -6.557 1.00 0.00 H new ATOM 583 N GLN A 44 3.261 16.963 -4.770 1.00 0.00 N ATOM 584 CA GLN A 44 4.153 16.080 -5.513 1.00 0.00 C ATOM 585 C GLN A 44 4.253 14.715 -4.839 1.00 0.00 C ATOM 586 O GLN A 44 4.007 13.683 -5.464 1.00 0.00 O ATOM 587 CB GLN A 44 5.543 16.707 -5.631 1.00 0.00 C ATOM 588 CG GLN A 44 6.553 15.817 -6.337 1.00 0.00 C ATOM 589 CD GLN A 44 6.238 15.629 -7.808 1.00 0.00 C ATOM 590 OE1 GLN A 44 5.136 15.939 -8.263 1.00 0.00 O ATOM 591 NE2 GLN A 44 7.205 15.118 -8.560 1.00 0.00 N ATOM 0 H GLN A 44 3.686 17.842 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 44 3.738 15.942 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.462 17.650 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.913 16.942 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.548 16.251 -6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.578 14.843 -5.848 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.103 14.876 -8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.050 14.968 -9.557 1.00 0.00 H new ATOM 600 N THR A 45 4.616 14.717 -3.561 1.00 0.00 N ATOM 601 CA THR A 45 4.751 13.480 -2.802 1.00 0.00 C ATOM 602 C THR A 45 3.501 12.616 -2.933 1.00 0.00 C ATOM 603 O THR A 45 3.582 11.444 -3.301 1.00 0.00 O ATOM 604 CB THR A 45 5.013 13.760 -1.311 1.00 0.00 C ATOM 605 OG1 THR A 45 6.225 14.507 -1.159 1.00 0.00 O ATOM 606 CG2 THR A 45 5.109 12.462 -0.524 1.00 0.00 C ATOM 0 H THR A 45 4.822 15.562 -3.029 1.00 0.00 H new ATOM 0 HA THR A 45 5.605 12.946 -3.218 1.00 0.00 H new ATOM 0 HB THR A 45 4.177 14.341 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.638 14.288 -0.298 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.294 12.686 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.174 11.910 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.928 11.858 -0.916 1.00 0.00 H new ATOM 614 N GLN A 46 2.348 13.203 -2.631 1.00 0.00 N ATOM 615 CA GLN A 46 1.081 12.486 -2.716 1.00 0.00 C ATOM 616 C GLN A 46 0.921 11.822 -4.079 1.00 0.00 C ATOM 617 O GLN A 46 0.618 10.632 -4.172 1.00 0.00 O ATOM 618 CB GLN A 46 -0.087 13.439 -2.459 1.00 0.00 C ATOM 619 CG GLN A 46 -0.207 13.878 -1.008 1.00 0.00 C ATOM 620 CD GLN A 46 -1.374 14.818 -0.777 1.00 0.00 C ATOM 621 OE1 GLN A 46 -2.123 15.135 -1.702 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.536 15.267 0.462 1.00 0.00 N ATOM 0 H GLN A 46 2.265 14.173 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 46 1.081 11.709 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.030 14.321 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.015 12.953 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.323 12.998 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.717 14.370 -0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.891 14.978 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.305 15.901 0.678 1.00 0.00 H new ATOM 631 N LYS A 47 1.126 12.599 -5.138 1.00 0.00 N ATOM 632 CA LYS A 47 1.006 12.088 -6.498 1.00 0.00 C ATOM 633 C LYS A 47 1.957 10.917 -6.725 1.00 0.00 C ATOM 634 O LYS A 47 1.564 9.880 -7.259 1.00 0.00 O ATOM 635 CB LYS A 47 1.296 13.199 -7.510 1.00 0.00 C ATOM 636 CG LYS A 47 0.355 14.386 -7.397 1.00 0.00 C ATOM 637 CD LYS A 47 1.011 15.665 -7.889 1.00 0.00 C ATOM 638 CE LYS A 47 1.173 15.662 -9.402 1.00 0.00 C ATOM 639 NZ LYS A 47 1.595 16.994 -9.917 1.00 0.00 N ATOM 0 H LYS A 47 1.376 13.586 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.016 11.736 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.321 13.544 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.229 12.788 -8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.548 14.193 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.047 14.510 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.409 16.523 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.987 15.779 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.911 14.912 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.230 15.375 -9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.694 16.951 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.879 17.706 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.507 17.257 -9.492 1.00 0.00 H new ATOM 653 N VAL A 48 3.209 11.090 -6.315 1.00 0.00 N ATOM 654 CA VAL A 48 4.216 10.047 -6.471 1.00 0.00 C ATOM 655 C VAL A 48 3.696 8.702 -5.975 1.00 0.00 C ATOM 656 O VAL A 48 3.913 7.668 -6.607 1.00 0.00 O ATOM 657 CB VAL A 48 5.509 10.396 -5.712 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.510 9.254 -5.808 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.109 11.687 -6.249 1.00 0.00 C ATOM 0 H VAL A 48 3.551 11.943 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 48 4.437 9.978 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 48 5.264 10.545 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.418 9.519 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.077 8.353 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.753 9.070 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.022 11.919 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.341 11.568 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.394 12.500 -6.123 1.00 0.00 H new ATOM 669 N PHE A 49 3.007 8.724 -4.838 1.00 0.00 N ATOM 670 CA PHE A 49 2.455 7.507 -4.255 1.00 0.00 C ATOM 671 C PHE A 49 1.173 7.093 -4.971 1.00 0.00 C ATOM 672 O PHE A 49 0.910 5.905 -5.164 1.00 0.00 O ATOM 673 CB PHE A 49 2.177 7.710 -2.765 1.00 0.00 C ATOM 674 CG PHE A 49 1.027 6.891 -2.252 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.280 7.275 -2.504 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.253 5.739 -1.517 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.341 6.524 -2.034 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.197 4.983 -1.045 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.102 5.377 -1.303 1.00 0.00 C ATOM 0 H PHE A 49 2.818 9.571 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 49 3.190 6.711 -4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.073 7.457 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.971 8.765 -2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.472 8.172 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.266 5.428 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.355 6.834 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.387 4.085 -0.475 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.929 4.789 -0.934 1.00 0.00 H new ATOM 689 N LEU A 50 0.376 8.082 -5.363 1.00 0.00 N ATOM 690 CA LEU A 50 -0.880 7.823 -6.058 1.00 0.00 C ATOM 691 C LEU A 50 -0.625 7.293 -7.465 1.00 0.00 C ATOM 692 O LEU A 50 -1.545 6.836 -8.144 1.00 0.00 O ATOM 693 CB LEU A 50 -1.721 9.099 -6.125 1.00 0.00 C ATOM 694 CG LEU A 50 -2.560 9.416 -4.887 1.00 0.00 C ATOM 695 CD1 LEU A 50 -3.031 10.862 -4.917 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.747 8.469 -4.790 1.00 0.00 C ATOM 0 H LEU A 50 0.578 9.070 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.427 7.064 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.054 9.940 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.389 9.025 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.936 9.277 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.627 11.069 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.167 11.526 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.638 11.029 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.333 8.710 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.371 8.576 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.388 7.442 -4.721 1.00 0.00 H new ATOM 708 N PHE A 51 0.630 7.356 -7.897 1.00 0.00 N ATOM 709 CA PHE A 51 1.007 6.881 -9.223 1.00 0.00 C ATOM 710 C PHE A 51 1.534 5.451 -9.160 1.00 0.00 C ATOM 711 O PHE A 51 1.229 4.627 -10.023 1.00 0.00 O ATOM 712 CB PHE A 51 2.067 7.800 -9.835 1.00 0.00 C ATOM 713 CG PHE A 51 2.674 7.259 -11.097 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.491 6.140 -11.064 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.427 7.868 -12.317 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.051 5.639 -12.224 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.984 7.371 -13.480 1.00 0.00 C ATOM 718 CZ PHE A 51 3.798 6.256 -13.434 1.00 0.00 C ATOM 0 H PHE A 51 1.403 7.731 -7.348 1.00 0.00 H new ATOM 0 HA PHE A 51 0.117 6.894 -9.852 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.617 8.770 -10.045 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.858 7.967 -9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.692 5.654 -10.121 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.792 8.741 -12.359 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.686 4.766 -12.185 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.783 7.854 -14.425 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.236 5.867 -14.342 1.00 0.00 H new ATOM 728 N ILE A 52 2.326 5.163 -8.133 1.00 0.00 N ATOM 729 CA ILE A 52 2.895 3.833 -7.956 1.00 0.00 C ATOM 730 C ILE A 52 1.807 2.765 -7.961 1.00 0.00 C ATOM 731 O ILE A 52 2.005 1.664 -8.476 1.00 0.00 O ATOM 732 CB ILE A 52 3.693 3.732 -6.643 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.827 4.758 -6.629 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.243 2.324 -6.464 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.183 5.246 -5.242 1.00 0.00 C ATOM 0 H ILE A 52 2.588 5.833 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 52 3.570 3.664 -8.795 1.00 0.00 H new ATOM 0 HB ILE A 52 3.023 3.948 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.711 4.316 -7.088 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.541 5.612 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.805 2.269 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.418 1.612 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.901 2.081 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.994 5.971 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.312 5.717 -4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.500 4.402 -4.629 1.00 0.00 H new ATOM 747 N ARG A 53 0.656 3.098 -7.386 1.00 0.00 N ATOM 748 CA ARG A 53 -0.465 2.168 -7.324 1.00 0.00 C ATOM 749 C ARG A 53 -0.986 1.851 -8.723 1.00 0.00 C ATOM 750 O ARG A 53 -0.907 0.712 -9.182 1.00 0.00 O ATOM 751 CB ARG A 53 -1.591 2.749 -6.468 1.00 0.00 C ATOM 752 CG ARG A 53 -2.859 1.910 -6.478 1.00 0.00 C ATOM 753 CD ARG A 53 -4.079 2.739 -6.108 1.00 0.00 C ATOM 754 NE ARG A 53 -4.258 2.833 -4.661 1.00 0.00 N ATOM 755 CZ ARG A 53 -3.676 3.759 -3.907 1.00 0.00 C ATOM 756 NH1 ARG A 53 -2.881 4.665 -4.459 1.00 0.00 N ATOM 757 NH2 ARG A 53 -3.888 3.779 -2.597 1.00 0.00 N ATOM 0 H ARG A 53 0.475 4.005 -6.956 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.112 1.243 -6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.240 2.850 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.826 3.752 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.000 1.474 -7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.754 1.082 -5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.978 3.740 -6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.968 2.295 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.863 2.150 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.715 4.652 -5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.436 5.375 -3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.498 3.083 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.441 4.490 -2.019 1.00 0.00 H new ATOM 771 N ASN A 54 -1.519 2.866 -9.394 1.00 0.00 N ATOM 772 CA ASN A 54 -2.054 2.695 -10.740 1.00 0.00 C ATOM 773 C ASN A 54 -1.146 1.800 -11.578 1.00 0.00 C ATOM 774 O ASN A 54 -1.614 0.892 -12.264 1.00 0.00 O ATOM 775 CB ASN A 54 -2.218 4.055 -11.422 1.00 0.00 C ATOM 776 CG ASN A 54 -3.377 4.851 -10.854 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.540 4.487 -11.030 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.064 5.944 -10.168 1.00 0.00 N ATOM 0 H ASN A 54 -1.592 3.815 -9.028 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.030 2.216 -10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.298 4.628 -11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.372 3.906 -12.491 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.801 6.520 -9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.086 6.208 -10.047 1.00 0.00 H new ATOM 785 N ARG A 55 0.156 2.064 -11.515 1.00 0.00 N ATOM 786 CA ARG A 55 1.130 1.283 -12.267 1.00 0.00 C ATOM 787 C ARG A 55 1.136 -0.171 -11.805 1.00 0.00 C ATOM 788 O ARG A 55 1.065 -1.094 -12.617 1.00 0.00 O ATOM 789 CB ARG A 55 2.528 1.884 -12.111 1.00 0.00 C ATOM 790 CG ARG A 55 3.525 1.384 -13.143 1.00 0.00 C ATOM 791 CD ARG A 55 3.356 2.099 -14.474 1.00 0.00 C ATOM 792 NE ARG A 55 4.233 1.551 -15.505 1.00 0.00 N ATOM 793 CZ ARG A 55 4.572 2.210 -16.608 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.109 3.434 -16.821 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.375 1.645 -17.500 1.00 0.00 N ATOM 0 H ARG A 55 0.559 2.812 -10.951 1.00 0.00 H new ATOM 0 HA ARG A 55 0.845 1.311 -13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.458 2.969 -12.183 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.904 1.654 -11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.539 1.536 -12.774 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.395 0.311 -13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.319 2.018 -14.800 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.568 3.160 -14.345 1.00 0.00 H new ATOM 0 HE ARG A 55 4.606 0.611 -15.371 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.491 3.872 -16.137 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.371 3.938 -17.668 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.733 0.703 -17.340 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.634 2.152 -18.346 1.00 0.00 H new ATOM 809 N THR A 56 1.221 -0.369 -10.493 1.00 0.00 N ATOM 810 CA THR A 56 1.238 -1.710 -9.921 1.00 0.00 C ATOM 811 C THR A 56 0.033 -2.520 -10.385 1.00 0.00 C ATOM 812 O THR A 56 0.168 -3.674 -10.796 1.00 0.00 O ATOM 813 CB THR A 56 1.250 -1.664 -8.382 1.00 0.00 C ATOM 814 OG1 THR A 56 2.416 -0.971 -7.921 1.00 0.00 O ATOM 815 CG2 THR A 56 1.226 -3.069 -7.799 1.00 0.00 C ATOM 0 H THR A 56 1.279 0.383 -9.806 1.00 0.00 H new ATOM 0 HA THR A 56 2.152 -2.191 -10.269 1.00 0.00 H new ATOM 0 HB THR A 56 0.358 -1.134 -8.049 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.362 -0.029 -8.185 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.235 -3.011 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.323 -3.584 -8.128 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.103 -3.620 -8.140 1.00 0.00 H new ATOM 823 N LEU A 57 -1.145 -1.910 -10.317 1.00 0.00 N ATOM 824 CA LEU A 57 -2.376 -2.576 -10.731 1.00 0.00 C ATOM 825 C LEU A 57 -2.393 -2.800 -12.240 1.00 0.00 C ATOM 826 O LEU A 57 -2.642 -3.911 -12.708 1.00 0.00 O ATOM 827 CB LEU A 57 -3.592 -1.747 -10.314 1.00 0.00 C ATOM 828 CG LEU A 57 -4.104 -1.975 -8.892 1.00 0.00 C ATOM 829 CD1 LEU A 57 -4.953 -0.799 -8.434 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.898 -3.271 -8.812 1.00 0.00 C ATOM 0 H LEU A 57 -1.274 -0.956 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.419 -3.547 -10.237 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.342 -0.692 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.405 -1.956 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.245 -2.057 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.308 -0.980 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.354 0.111 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.806 -0.684 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.255 -3.417 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.750 -3.218 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.259 -4.107 -9.096 1.00 0.00 H new ATOM 842 N GLN A 58 -2.123 -1.739 -12.994 1.00 0.00 N ATOM 843 CA GLN A 58 -2.106 -1.822 -14.450 1.00 0.00 C ATOM 844 C GLN A 58 -1.382 -3.081 -14.915 1.00 0.00 C ATOM 845 O GLN A 58 -1.977 -3.953 -15.549 1.00 0.00 O ATOM 846 CB GLN A 58 -1.433 -0.583 -15.044 1.00 0.00 C ATOM 847 CG GLN A 58 -2.352 0.624 -15.134 1.00 0.00 C ATOM 848 CD GLN A 58 -3.334 0.526 -16.285 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.548 0.591 -16.088 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.813 0.367 -17.496 1.00 0.00 N ATOM 0 H GLN A 58 -1.913 -0.813 -12.621 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.138 -1.869 -14.799 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.566 -0.324 -14.436 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.064 -0.823 -16.041 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.903 0.727 -14.199 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.751 1.526 -15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.801 0.318 -17.613 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.425 0.294 -18.309 1.00 0.00 H new ATOM 859 N LEU A 59 -0.096 -3.170 -14.596 1.00 0.00 N ATOM 860 CA LEU A 59 0.711 -4.323 -14.982 1.00 0.00 C ATOM 861 C LEU A 59 0.020 -5.625 -14.590 1.00 0.00 C ATOM 862 O LEU A 59 0.148 -6.638 -15.278 1.00 0.00 O ATOM 863 CB LEU A 59 2.091 -4.246 -14.327 1.00 0.00 C ATOM 864 CG LEU A 59 2.851 -2.933 -14.514 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.855 -2.732 -13.390 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.550 -2.909 -15.866 1.00 0.00 C ATOM 0 H LEU A 59 0.411 -2.458 -14.071 1.00 0.00 H new ATOM 0 HA LEU A 59 0.829 -4.308 -16.065 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.974 -4.426 -13.258 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.704 -5.057 -14.721 1.00 0.00 H new ATOM 0 HG LEU A 59 2.133 -2.113 -14.483 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.386 -1.792 -13.540 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.331 -2.704 -12.435 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.569 -3.556 -13.388 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.086 -1.967 -15.982 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.256 -3.738 -15.926 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.810 -3.005 -16.660 1.00 0.00 H new ATOM 878 N TRP A 60 -0.712 -5.590 -13.482 1.00 0.00 N ATOM 879 CA TRP A 60 -1.425 -6.768 -13.000 1.00 0.00 C ATOM 880 C TRP A 60 -2.650 -7.053 -13.861 1.00 0.00 C ATOM 881 O TRP A 60 -2.953 -8.208 -14.165 1.00 0.00 O ATOM 882 CB TRP A 60 -1.844 -6.575 -11.542 1.00 0.00 C ATOM 883 CG TRP A 60 -3.110 -7.295 -11.188 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.378 -6.789 -11.221 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.228 -8.651 -10.744 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.278 -7.749 -10.825 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.598 -8.901 -10.528 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.311 -9.679 -10.510 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.069 -10.135 -10.089 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.781 -10.904 -10.074 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.149 -11.124 -9.867 1.00 0.00 C ATOM 0 H TRP A 60 -0.827 -4.760 -12.901 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.751 -7.622 -13.067 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.042 -6.924 -10.892 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.973 -5.510 -11.346 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.636 -5.782 -11.515 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.288 -7.624 -10.762 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.254 -9.520 -10.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.123 -10.306 -9.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.081 -11.706 -9.890 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.484 -12.092 -9.526 1.00 0.00 H new ATOM 902 N LEU A 61 -3.352 -5.995 -14.252 1.00 0.00 N ATOM 903 CA LEU A 61 -4.546 -6.132 -15.080 1.00 0.00 C ATOM 904 C LEU A 61 -4.176 -6.505 -16.512 1.00 0.00 C ATOM 905 O LEU A 61 -5.005 -7.019 -17.264 1.00 0.00 O ATOM 906 CB LEU A 61 -5.349 -4.830 -15.071 1.00 0.00 C ATOM 907 CG LEU A 61 -6.367 -4.677 -13.940 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.977 -3.284 -13.957 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.452 -5.738 -14.052 1.00 0.00 C ATOM 0 H LEU A 61 -3.115 -5.033 -14.009 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.158 -6.932 -14.663 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.650 -3.996 -15.019 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.876 -4.745 -16.021 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.850 -4.814 -12.990 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.699 -3.193 -13.146 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.190 -2.541 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.480 -3.118 -14.910 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.168 -5.614 -13.239 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.966 -5.633 -15.007 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.000 -6.728 -13.990 1.00 0.00 H new ATOM 921 N ASP A 62 -2.927 -6.246 -16.881 1.00 0.00 N ATOM 922 CA ASP A 62 -2.446 -6.558 -18.222 1.00 0.00 C ATOM 923 C ASP A 62 -1.779 -7.929 -18.255 1.00 0.00 C ATOM 924 O ASP A 62 -1.794 -8.613 -19.278 1.00 0.00 O ATOM 925 CB ASP A 62 -1.461 -5.487 -18.695 1.00 0.00 C ATOM 926 CG ASP A 62 -1.107 -5.634 -20.162 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.870 -5.125 -21.010 1.00 0.00 O ATOM 928 OD2 ASP A 62 -0.068 -6.257 -20.463 1.00 0.00 O ATOM 0 H ASP A 62 -2.229 -5.821 -16.271 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.304 -6.575 -18.894 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.892 -4.500 -18.525 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.551 -5.544 -18.097 1.00 0.00 H new ATOM 933 N ASN A 63 -1.194 -8.325 -17.129 1.00 0.00 N ATOM 934 CA ASN A 63 -0.520 -9.614 -17.030 1.00 0.00 C ATOM 935 C ASN A 63 -0.907 -10.332 -15.741 1.00 0.00 C ATOM 936 O ASN A 63 -0.059 -10.822 -14.995 1.00 0.00 O ATOM 937 CB ASN A 63 0.997 -9.426 -17.086 1.00 0.00 C ATOM 938 CG ASN A 63 1.692 -10.547 -17.835 1.00 0.00 C ATOM 939 OD1 ASN A 63 2.203 -10.349 -18.937 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.712 -11.733 -17.238 1.00 0.00 N ATOM 0 H ASN A 63 -1.173 -7.771 -16.273 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.835 -10.226 -17.875 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.225 -8.475 -17.568 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.391 -9.372 -16.071 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.164 -12.526 -17.694 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.275 -11.851 -16.324 1.00 0.00 H new ATOM 947 N PRO A 64 -2.219 -10.397 -15.471 1.00 0.00 N ATOM 948 CA PRO A 64 -2.749 -11.055 -14.272 1.00 0.00 C ATOM 949 C PRO A 64 -2.584 -12.570 -14.321 1.00 0.00 C ATOM 950 O PRO A 64 -3.020 -13.282 -13.416 1.00 0.00 O ATOM 951 CB PRO A 64 -4.232 -10.677 -14.287 1.00 0.00 C ATOM 952 CG PRO A 64 -4.541 -10.413 -15.721 1.00 0.00 C ATOM 953 CD PRO A 64 -3.287 -9.835 -16.315 1.00 0.00 C ATOM 0 HA PRO A 64 -2.224 -10.742 -13.369 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.850 -11.483 -13.891 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.423 -9.797 -13.672 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.828 -11.331 -16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.375 -9.718 -15.819 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.167 -10.123 -17.359 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.293 -8.745 -16.284 1.00 0.00 H new ATOM 961 N LYS A 65 -1.951 -13.057 -15.383 1.00 0.00 N ATOM 962 CA LYS A 65 -1.727 -14.488 -15.549 1.00 0.00 C ATOM 963 C LYS A 65 -0.650 -14.985 -14.590 1.00 0.00 C ATOM 964 O LYS A 65 -0.386 -16.185 -14.507 1.00 0.00 O ATOM 965 CB LYS A 65 -1.321 -14.797 -16.992 1.00 0.00 C ATOM 966 CG LYS A 65 -0.086 -14.042 -17.452 1.00 0.00 C ATOM 967 CD LYS A 65 1.142 -14.937 -17.462 1.00 0.00 C ATOM 968 CE LYS A 65 1.237 -15.739 -18.751 1.00 0.00 C ATOM 969 NZ LYS A 65 1.632 -14.887 -19.907 1.00 0.00 N ATOM 0 H LYS A 65 -1.584 -12.482 -16.141 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.659 -15.005 -15.321 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.139 -15.867 -17.088 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.152 -14.555 -17.654 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.254 -13.642 -18.452 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.088 -13.191 -16.793 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.038 -14.328 -17.344 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.105 -15.617 -16.611 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.964 -16.542 -18.626 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.276 -16.209 -18.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.931 -15.492 -20.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.822 -14.306 -20.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.419 -14.267 -19.628 1.00 0.00 H new ATOM 983 N ILE A 66 -0.032 -14.056 -13.869 1.00 0.00 N ATOM 984 CA ILE A 66 1.014 -14.401 -12.914 1.00 0.00 C ATOM 985 C ILE A 66 0.914 -13.546 -11.655 1.00 0.00 C ATOM 986 O ILE A 66 0.137 -12.593 -11.602 1.00 0.00 O ATOM 987 CB ILE A 66 2.416 -14.229 -13.528 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.607 -12.794 -14.022 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.621 -15.218 -14.665 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.955 -12.550 -14.664 1.00 0.00 C ATOM 0 H ILE A 66 -0.237 -13.059 -13.928 1.00 0.00 H new ATOM 0 HA ILE A 66 0.867 -15.449 -12.651 1.00 0.00 H new ATOM 0 HB ILE A 66 3.161 -14.431 -12.758 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.823 -12.559 -14.742 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.484 -12.110 -13.182 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.616 -15.084 -15.089 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.522 -16.235 -14.285 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.872 -15.045 -15.437 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.020 -11.512 -14.990 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.745 -12.753 -13.941 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.073 -13.209 -15.524 1.00 0.00 H new ATOM 1002 N GLN A 67 1.706 -13.893 -10.646 1.00 0.00 N ATOM 1003 CA GLN A 67 1.707 -13.155 -9.388 1.00 0.00 C ATOM 1004 C GLN A 67 2.599 -11.922 -9.481 1.00 0.00 C ATOM 1005 O GLN A 67 3.704 -11.981 -10.021 1.00 0.00 O ATOM 1006 CB GLN A 67 2.178 -14.056 -8.245 1.00 0.00 C ATOM 1007 CG GLN A 67 3.690 -14.194 -8.164 1.00 0.00 C ATOM 1008 CD GLN A 67 4.296 -14.734 -9.444 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.993 -15.850 -9.866 1.00 0.00 O ATOM 1010 NE2 GLN A 67 5.159 -13.942 -10.070 1.00 0.00 N ATOM 0 H GLN A 67 2.355 -14.680 -10.675 1.00 0.00 H new ATOM 0 HA GLN A 67 0.687 -12.828 -9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.807 -13.656 -7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.737 -15.045 -8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.128 -13.221 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.947 -14.856 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.381 -13.024 -9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.600 -14.252 -10.936 1.00 0.00 H new ATOM 1019 N LEU A 68 2.113 -10.805 -8.951 1.00 0.00 N ATOM 1020 CA LEU A 68 2.866 -9.556 -8.974 1.00 0.00 C ATOM 1021 C LEU A 68 3.619 -9.350 -7.664 1.00 0.00 C ATOM 1022 O LEU A 68 3.031 -8.974 -6.649 1.00 0.00 O ATOM 1023 CB LEU A 68 1.927 -8.375 -9.227 1.00 0.00 C ATOM 1024 CG LEU A 68 2.584 -7.093 -9.738 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.264 -7.338 -11.076 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.555 -5.978 -9.857 1.00 0.00 C ATOM 0 H LEU A 68 1.201 -10.739 -8.500 1.00 0.00 H new ATOM 0 HA LEU A 68 3.593 -9.614 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.172 -8.685 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.405 -8.146 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 68 3.343 -6.785 -9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.726 -6.414 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.029 -8.105 -10.960 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.525 -7.671 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.040 -5.073 -10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.773 -6.277 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.114 -5.784 -8.879 1.00 0.00 H new ATOM 1038 N THR A 69 4.925 -9.597 -7.692 1.00 0.00 N ATOM 1039 CA THR A 69 5.759 -9.438 -6.508 1.00 0.00 C ATOM 1040 C THR A 69 6.254 -8.003 -6.372 1.00 0.00 C ATOM 1041 O THR A 69 6.063 -7.182 -7.270 1.00 0.00 O ATOM 1042 CB THR A 69 6.973 -10.386 -6.544 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.845 -10.025 -7.621 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.526 -11.831 -6.708 1.00 0.00 C ATOM 0 H THR A 69 5.428 -9.908 -8.523 1.00 0.00 H new ATOM 0 HA THR A 69 5.137 -9.688 -5.648 1.00 0.00 H new ATOM 0 HB THR A 69 7.507 -10.293 -5.599 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.615 -10.631 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.400 -12.482 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.887 -12.111 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.971 -11.937 -7.640 1.00 0.00 H new ATOM 1052 N PHE A 70 6.891 -7.705 -5.245 1.00 0.00 N ATOM 1053 CA PHE A 70 7.414 -6.368 -4.992 1.00 0.00 C ATOM 1054 C PHE A 70 8.495 -6.005 -6.005 1.00 0.00 C ATOM 1055 O PHE A 70 8.522 -4.891 -6.527 1.00 0.00 O ATOM 1056 CB PHE A 70 7.978 -6.277 -3.572 1.00 0.00 C ATOM 1057 CG PHE A 70 8.901 -5.110 -3.368 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.396 -3.855 -3.070 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.274 -5.268 -3.472 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.243 -2.779 -2.882 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.126 -4.196 -3.284 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.609 -2.950 -2.988 1.00 0.00 C ATOM 0 H PHE A 70 7.058 -8.372 -4.492 1.00 0.00 H new ATOM 0 HA PHE A 70 6.592 -5.659 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.151 -6.204 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.514 -7.198 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.329 -3.716 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.683 -6.241 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.837 -1.805 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.194 -4.332 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.272 -2.111 -2.840 1.00 0.00 H new ATOM 1072 N GLU A 71 9.385 -6.955 -6.278 1.00 0.00 N ATOM 1073 CA GLU A 71 10.469 -6.735 -7.227 1.00 0.00 C ATOM 1074 C GLU A 71 9.922 -6.340 -8.596 1.00 0.00 C ATOM 1075 O GLU A 71 10.155 -5.230 -9.073 1.00 0.00 O ATOM 1076 CB GLU A 71 11.329 -7.994 -7.354 1.00 0.00 C ATOM 1077 CG GLU A 71 12.482 -8.046 -6.365 1.00 0.00 C ATOM 1078 CD GLU A 71 13.302 -9.316 -6.491 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.145 -9.389 -7.409 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.100 -10.235 -5.671 1.00 0.00 O ATOM 0 H GLU A 71 9.376 -7.883 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 71 11.086 -5.918 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.698 -8.871 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.727 -8.051 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.129 -7.183 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.090 -7.970 -5.351 1.00 0.00 H new ATOM 1087 N ALA A 72 9.193 -7.258 -9.223 1.00 0.00 N ATOM 1088 CA ALA A 72 8.611 -7.006 -10.535 1.00 0.00 C ATOM 1089 C ALA A 72 8.012 -5.606 -10.610 1.00 0.00 C ATOM 1090 O ALA A 72 8.375 -4.808 -11.476 1.00 0.00 O ATOM 1091 CB ALA A 72 7.554 -8.053 -10.854 1.00 0.00 C ATOM 0 H ALA A 72 8.992 -8.183 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 72 9.407 -7.072 -11.277 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.128 -7.852 -11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.010 -9.043 -10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.766 -8.015 -10.102 1.00 0.00 H new ATOM 1097 N THR A 73 7.090 -5.312 -9.698 1.00 0.00 N ATOM 1098 CA THR A 73 6.438 -4.009 -9.663 1.00 0.00 C ATOM 1099 C THR A 73 7.464 -2.881 -9.668 1.00 0.00 C ATOM 1100 O THR A 73 7.283 -1.866 -10.343 1.00 0.00 O ATOM 1101 CB THR A 73 5.540 -3.864 -8.420 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.535 -4.884 -8.421 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.879 -2.494 -8.386 1.00 0.00 C ATOM 0 H THR A 73 6.778 -5.959 -8.974 1.00 0.00 H new ATOM 0 HA THR A 73 5.821 -3.940 -10.559 1.00 0.00 H new ATOM 0 HB THR A 73 6.165 -3.970 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.911 -5.714 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.250 -2.415 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.646 -1.720 -8.356 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.266 -2.363 -9.278 1.00 0.00 H new ATOM 1111 N LEU A 74 8.542 -3.064 -8.914 1.00 0.00 N ATOM 1112 CA LEU A 74 9.598 -2.061 -8.832 1.00 0.00 C ATOM 1113 C LEU A 74 10.298 -1.897 -10.178 1.00 0.00 C ATOM 1114 O LEU A 74 10.325 -0.804 -10.744 1.00 0.00 O ATOM 1115 CB LEU A 74 10.617 -2.451 -7.760 1.00 0.00 C ATOM 1116 CG LEU A 74 12.003 -1.818 -7.889 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.992 -0.394 -7.355 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.042 -2.656 -7.158 1.00 0.00 C ATOM 0 H LEU A 74 8.708 -3.898 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 74 9.141 -1.109 -8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.208 -2.186 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.732 -3.535 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 74 12.269 -1.785 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.987 0.040 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.277 0.202 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.704 -0.402 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.022 -2.191 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.780 -2.721 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.069 -3.658 -7.587 1.00 0.00 H new ATOM 1130 N GLN A 75 10.859 -2.989 -10.685 1.00 0.00 N ATOM 1131 CA GLN A 75 11.557 -2.965 -11.965 1.00 0.00 C ATOM 1132 C GLN A 75 10.706 -2.292 -13.036 1.00 0.00 C ATOM 1133 O GLN A 75 11.162 -1.373 -13.716 1.00 0.00 O ATOM 1134 CB GLN A 75 11.916 -4.387 -12.401 1.00 0.00 C ATOM 1135 CG GLN A 75 12.927 -5.066 -11.490 1.00 0.00 C ATOM 1136 CD GLN A 75 13.717 -6.148 -12.200 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.479 -7.339 -11.999 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.664 -5.738 -13.036 1.00 0.00 N ATOM 0 H GLN A 75 10.844 -3.902 -10.230 1.00 0.00 H new ATOM 0 HA GLN A 75 12.474 -2.389 -11.840 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.007 -4.988 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.315 -4.357 -13.415 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.615 -4.318 -11.096 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.407 -5.502 -10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.827 -4.740 -13.172 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.228 -6.421 -13.542 1.00 0.00 H new ATOM 1147 N GLN A 76 9.469 -2.756 -13.180 1.00 0.00 N ATOM 1148 CA GLN A 76 8.555 -2.198 -14.170 1.00 0.00 C ATOM 1149 C GLN A 76 8.296 -0.720 -13.900 1.00 0.00 C ATOM 1150 O GLN A 76 8.175 0.080 -14.829 1.00 0.00 O ATOM 1151 CB GLN A 76 7.234 -2.969 -14.167 1.00 0.00 C ATOM 1152 CG GLN A 76 7.376 -4.423 -14.587 1.00 0.00 C ATOM 1153 CD GLN A 76 6.263 -5.298 -14.046 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.576 -5.987 -14.802 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.079 -5.277 -12.732 1.00 0.00 N ATOM 0 H GLN A 76 9.077 -3.516 -12.624 1.00 0.00 H new ATOM 0 HA GLN A 76 9.020 -2.293 -15.151 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.802 -2.929 -13.167 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.532 -2.473 -14.837 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.384 -4.484 -15.675 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.336 -4.806 -14.239 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.671 -4.691 -12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.345 -5.846 -12.311 1.00 0.00 H new ATOM 1164 N LEU A 77 8.212 -0.363 -12.623 1.00 0.00 N ATOM 1165 CA LEU A 77 7.967 1.020 -12.230 1.00 0.00 C ATOM 1166 C LEU A 77 9.097 1.929 -12.702 1.00 0.00 C ATOM 1167 O LEU A 77 10.227 1.481 -12.894 1.00 0.00 O ATOM 1168 CB LEU A 77 7.816 1.121 -10.711 1.00 0.00 C ATOM 1169 CG LEU A 77 6.388 1.034 -10.171 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.389 0.511 -8.743 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.708 2.393 -10.243 1.00 0.00 C ATOM 0 H LEU A 77 8.310 -1.012 -11.842 1.00 0.00 H new ATOM 0 HA LEU A 77 7.041 1.347 -12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.405 0.326 -10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.249 2.067 -10.385 1.00 0.00 H new ATOM 0 HG LEU A 77 5.826 0.336 -10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.364 0.456 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.837 -0.482 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.966 1.184 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.693 2.313 -9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.269 3.113 -9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.675 2.729 -11.279 1.00 0.00 H new ATOM 1183 N GLU A 78 8.785 3.208 -12.884 1.00 0.00 N ATOM 1184 CA GLU A 78 9.776 4.180 -13.332 1.00 0.00 C ATOM 1185 C GLU A 78 9.896 5.331 -12.338 1.00 0.00 C ATOM 1186 O GLU A 78 8.922 6.029 -12.059 1.00 0.00 O ATOM 1187 CB GLU A 78 9.403 4.722 -14.714 1.00 0.00 C ATOM 1188 CG GLU A 78 8.058 5.426 -14.749 1.00 0.00 C ATOM 1189 CD GLU A 78 7.700 5.932 -16.133 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.608 6.417 -16.841 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.512 5.843 -16.508 1.00 0.00 O ATOM 0 H GLU A 78 7.854 3.595 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 78 10.740 3.675 -13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.176 5.417 -15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.391 3.898 -15.427 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.284 4.740 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.073 6.264 -14.052 1.00 0.00 H new ATOM 1198 N ALA A 79 11.100 5.523 -11.807 1.00 0.00 N ATOM 1199 CA ALA A 79 11.349 6.590 -10.845 1.00 0.00 C ATOM 1200 C ALA A 79 10.738 7.906 -11.314 1.00 0.00 C ATOM 1201 O ALA A 79 10.353 8.061 -12.473 1.00 0.00 O ATOM 1202 CB ALA A 79 12.844 6.753 -10.614 1.00 0.00 C ATOM 0 H ALA A 79 11.917 4.954 -12.027 1.00 0.00 H new ATOM 0 HA ALA A 79 10.874 6.315 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.016 7.553 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.256 5.821 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.333 7.002 -11.556 1.00 0.00 H new ATOM 1208 N PRO A 80 10.644 8.877 -10.394 1.00 0.00 N ATOM 1209 CA PRO A 80 11.098 8.703 -9.011 1.00 0.00 C ATOM 1210 C PRO A 80 10.213 7.740 -8.227 1.00 0.00 C ATOM 1211 O PRO A 80 10.492 7.430 -7.068 1.00 0.00 O ATOM 1212 CB PRO A 80 11.002 10.114 -8.426 1.00 0.00 C ATOM 1213 CG PRO A 80 9.964 10.795 -9.249 1.00 0.00 C ATOM 1214 CD PRO A 80 10.088 10.219 -10.632 1.00 0.00 C ATOM 0 HA PRO A 80 12.099 8.273 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.719 10.088 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.958 10.633 -8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.968 10.622 -8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.121 11.874 -9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.122 10.170 -11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.745 10.820 -11.260 1.00 0.00 H new ATOM 1222 N TYR A 81 9.147 7.271 -8.865 1.00 0.00 N ATOM 1223 CA TYR A 81 8.220 6.344 -8.226 1.00 0.00 C ATOM 1224 C TYR A 81 8.968 5.173 -7.596 1.00 0.00 C ATOM 1225 O TYR A 81 8.912 4.965 -6.385 1.00 0.00 O ATOM 1226 CB TYR A 81 7.202 5.826 -9.243 1.00 0.00 C ATOM 1227 CG TYR A 81 6.641 6.905 -10.141 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.279 8.145 -9.628 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.471 6.685 -11.502 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.765 9.134 -10.445 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.960 7.668 -12.327 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.608 8.891 -11.793 1.00 0.00 C ATOM 1233 OH TYR A 81 5.096 9.872 -12.611 1.00 0.00 O ATOM 0 H TYR A 81 8.903 7.517 -9.824 1.00 0.00 H new ATOM 0 HA TYR A 81 7.694 6.882 -7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.674 5.061 -9.859 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.381 5.345 -8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.402 8.339 -8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.743 5.728 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.488 10.092 -10.030 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.837 7.481 -13.383 1.00 0.00 H new ATOM 0 HH TYR A 81 4.215 9.596 -12.941 1.00 0.00 H new ATOM 1243 N ASN A 82 9.669 4.411 -8.429 1.00 0.00 N ATOM 1244 CA ASN A 82 10.429 3.260 -7.956 1.00 0.00 C ATOM 1245 C ASN A 82 11.594 3.702 -7.075 1.00 0.00 C ATOM 1246 O ASN A 82 11.991 2.992 -6.151 1.00 0.00 O ATOM 1247 CB ASN A 82 10.952 2.445 -9.141 1.00 0.00 C ATOM 1248 CG ASN A 82 12.325 2.902 -9.596 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.280 2.903 -8.819 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.429 3.294 -10.860 1.00 0.00 N ATOM 0 H ASN A 82 9.726 4.570 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 82 9.762 2.636 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.996 1.392 -8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.251 2.526 -9.972 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.327 3.613 -11.223 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.611 3.276 -11.468 1.00 0.00 H new ATOM 1257 N SER A 83 12.136 4.879 -7.367 1.00 0.00 N ATOM 1258 CA SER A 83 13.257 5.415 -6.604 1.00 0.00 C ATOM 1259 C SER A 83 13.126 5.063 -5.126 1.00 0.00 C ATOM 1260 O SER A 83 14.060 4.545 -4.514 1.00 0.00 O ATOM 1261 CB SER A 83 13.337 6.934 -6.774 1.00 0.00 C ATOM 1262 OG SER A 83 14.565 7.438 -6.278 1.00 0.00 O ATOM 0 H SER A 83 11.817 5.480 -8.127 1.00 0.00 H new ATOM 0 HA SER A 83 14.173 4.965 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.234 7.191 -7.828 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.507 7.406 -6.248 1.00 0.00 H new ATOM 0 HG SER A 83 14.593 8.410 -6.400 1.00 0.00 H new ATOM 1268 N ASP A 84 11.959 5.349 -4.558 1.00 0.00 N ATOM 1269 CA ASP A 84 11.703 5.062 -3.151 1.00 0.00 C ATOM 1270 C ASP A 84 11.191 3.636 -2.972 1.00 0.00 C ATOM 1271 O ASP A 84 9.983 3.395 -2.965 1.00 0.00 O ATOM 1272 CB ASP A 84 10.691 6.057 -2.582 1.00 0.00 C ATOM 1273 CG ASP A 84 10.900 6.313 -1.102 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.030 6.096 -0.616 1.00 0.00 O ATOM 1275 OD2 ASP A 84 9.935 6.733 -0.431 1.00 0.00 O ATOM 0 H ASP A 84 11.176 5.779 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 84 12.643 5.162 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.767 6.999 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.682 5.677 -2.743 1.00 0.00 H new ATOM 1280 N THR A 85 12.117 2.693 -2.828 1.00 0.00 N ATOM 1281 CA THR A 85 11.759 1.292 -2.651 1.00 0.00 C ATOM 1282 C THR A 85 10.826 1.108 -1.460 1.00 0.00 C ATOM 1283 O THR A 85 9.911 0.286 -1.496 1.00 0.00 O ATOM 1284 CB THR A 85 13.009 0.414 -2.449 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.890 1.027 -1.501 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.741 0.203 -3.766 1.00 0.00 C ATOM 0 H THR A 85 13.121 2.875 -2.831 1.00 0.00 H new ATOM 0 HA THR A 85 11.247 0.980 -3.561 1.00 0.00 H new ATOM 0 HB THR A 85 12.687 -0.556 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.681 0.462 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.620 -0.420 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.077 -0.290 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.051 1.167 -4.168 1.00 0.00 H new ATOM 1294 N VAL A 86 11.062 1.881 -0.404 1.00 0.00 N ATOM 1295 CA VAL A 86 10.241 1.805 0.798 1.00 0.00 C ATOM 1296 C VAL A 86 8.775 2.078 0.480 1.00 0.00 C ATOM 1297 O VAL A 86 7.880 1.424 1.017 1.00 0.00 O ATOM 1298 CB VAL A 86 10.718 2.805 1.868 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.255 4.213 1.526 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.221 2.390 3.244 1.00 0.00 C ATOM 0 H VAL A 86 11.815 2.567 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 86 10.343 0.792 1.187 1.00 0.00 H new ATOM 0 HB VAL A 86 11.808 2.801 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.601 4.906 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.665 4.506 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.166 4.237 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.567 3.108 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.131 2.364 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.608 1.400 3.487 1.00 0.00 H new ATOM 1310 N LEU A 87 8.536 3.047 -0.396 1.00 0.00 N ATOM 1311 CA LEU A 87 7.178 3.407 -0.787 1.00 0.00 C ATOM 1312 C LEU A 87 6.545 2.307 -1.633 1.00 0.00 C ATOM 1313 O LEU A 87 5.372 1.973 -1.461 1.00 0.00 O ATOM 1314 CB LEU A 87 7.182 4.725 -1.563 1.00 0.00 C ATOM 1315 CG LEU A 87 5.876 5.521 -1.542 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.501 5.892 -0.115 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.997 6.768 -2.405 1.00 0.00 C ATOM 0 H LEU A 87 9.265 3.598 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 87 6.585 3.528 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.975 5.356 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.437 4.511 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 87 5.084 4.895 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.569 6.458 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.372 4.985 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.293 6.500 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.058 7.322 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.801 7.398 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.218 6.479 -3.432 1.00 0.00 H new ATOM 1329 N VAL A 88 7.330 1.745 -2.547 1.00 0.00 N ATOM 1330 CA VAL A 88 6.848 0.680 -3.419 1.00 0.00 C ATOM 1331 C VAL A 88 6.487 -0.565 -2.616 1.00 0.00 C ATOM 1332 O VAL A 88 5.590 -1.320 -2.991 1.00 0.00 O ATOM 1333 CB VAL A 88 7.898 0.306 -4.482 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.398 -0.842 -5.345 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.243 1.516 -5.337 1.00 0.00 C ATOM 0 H VAL A 88 8.303 2.010 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 88 5.956 1.058 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 88 8.805 -0.022 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.153 -1.092 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.205 -1.712 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.477 -0.546 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.986 1.234 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.344 1.876 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.646 2.306 -4.704 1.00 0.00 H new ATOM 1345 N HIS A 89 7.193 -0.774 -1.509 1.00 0.00 N ATOM 1346 CA HIS A 89 6.946 -1.928 -0.652 1.00 0.00 C ATOM 1347 C HIS A 89 5.671 -1.737 0.163 1.00 0.00 C ATOM 1348 O HIS A 89 4.950 -2.696 0.439 1.00 0.00 O ATOM 1349 CB HIS A 89 8.134 -2.158 0.283 1.00 0.00 C ATOM 1350 CG HIS A 89 8.158 -3.525 0.896 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.184 -3.980 1.758 1.00 0.00 N ATOM 1352 CD2 HIS A 89 9.046 -4.538 0.764 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.472 -5.214 2.133 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.597 -5.576 1.543 1.00 0.00 N ATOM 0 H HIS A 89 7.940 -0.160 -1.185 1.00 0.00 H new ATOM 0 HA HIS A 89 6.820 -2.803 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.059 -2.002 -0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.110 -1.413 1.078 1.00 0.00 H new ATOM 0 HD1 HIS A 89 6.368 -3.447 2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.941 -4.531 0.159 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.887 -5.823 2.807 1.00 0.00 H new ATOM 1363 N ARG A 90 5.400 -0.494 0.546 1.00 0.00 N ATOM 1364 CA ARG A 90 4.213 -0.178 1.332 1.00 0.00 C ATOM 1365 C ARG A 90 2.972 -0.129 0.445 1.00 0.00 C ATOM 1366 O ARG A 90 1.924 -0.670 0.797 1.00 0.00 O ATOM 1367 CB ARG A 90 4.393 1.161 2.050 1.00 0.00 C ATOM 1368 CG ARG A 90 5.460 1.133 3.132 1.00 0.00 C ATOM 1369 CD ARG A 90 5.656 2.506 3.757 1.00 0.00 C ATOM 1370 NE ARG A 90 4.780 2.713 4.907 1.00 0.00 N ATOM 1371 CZ ARG A 90 5.077 2.311 6.138 1.00 0.00 C ATOM 1372 NH1 ARG A 90 6.221 1.684 6.377 1.00 0.00 N ATOM 1373 NH2 ARG A 90 4.229 2.536 7.133 1.00 0.00 N ATOM 0 H ARG A 90 5.986 0.311 0.325 1.00 0.00 H new ATOM 0 HA ARG A 90 4.078 -0.965 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.651 1.925 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.443 1.455 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.178 0.417 3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.402 0.788 2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.695 2.618 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.462 3.276 3.010 1.00 0.00 H new ATOM 0 HE ARG A 90 3.892 3.192 4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.876 1.509 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.446 1.377 7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.348 3.018 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.458 2.227 8.078 1.00 0.00 H new ATOM 1387 N VAL A 91 3.098 0.523 -0.706 1.00 0.00 N ATOM 1388 CA VAL A 91 1.988 0.642 -1.643 1.00 0.00 C ATOM 1389 C VAL A 91 1.544 -0.727 -2.146 1.00 0.00 C ATOM 1390 O VAL A 91 0.371 -1.089 -2.041 1.00 0.00 O ATOM 1391 CB VAL A 91 2.363 1.523 -2.849 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.236 1.538 -3.871 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.699 2.935 -2.393 1.00 0.00 C ATOM 0 H VAL A 91 3.958 0.977 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 91 1.166 1.111 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 91 3.247 1.099 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.519 2.166 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.048 0.523 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.332 1.936 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.962 3.544 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.835 3.371 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.542 2.903 -1.702 1.00 0.00 H new ATOM 1403 N HIS A 92 2.489 -1.485 -2.693 1.00 0.00 N ATOM 1404 CA HIS A 92 2.195 -2.816 -3.212 1.00 0.00 C ATOM 1405 C HIS A 92 1.540 -3.684 -2.142 1.00 0.00 C ATOM 1406 O HIS A 92 0.804 -4.620 -2.453 1.00 0.00 O ATOM 1407 CB HIS A 92 3.476 -3.485 -3.714 1.00 0.00 C ATOM 1408 CG HIS A 92 3.243 -4.816 -4.358 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.049 -5.977 -3.639 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.173 -5.168 -5.663 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.871 -6.985 -4.474 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.941 -6.521 -5.708 1.00 0.00 N ATOM 0 H HIS A 92 3.464 -1.201 -2.788 1.00 0.00 H new ATOM 0 HA HIS A 92 1.499 -2.709 -4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.964 -2.824 -4.430 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.163 -3.611 -2.877 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.280 -4.508 -6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.698 -8.014 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.839 -7.077 -6.557 1.00 0.00 H new ATOM 1421 N SER A 93 1.813 -3.367 -0.880 1.00 0.00 N ATOM 1422 CA SER A 93 1.254 -4.121 0.236 1.00 0.00 C ATOM 1423 C SER A 93 -0.233 -3.821 0.403 1.00 0.00 C ATOM 1424 O SER A 93 -1.062 -4.730 0.425 1.00 0.00 O ATOM 1425 CB SER A 93 2.002 -3.789 1.528 1.00 0.00 C ATOM 1426 OG SER A 93 1.636 -4.676 2.571 1.00 0.00 O ATOM 0 H SER A 93 2.418 -2.593 -0.605 1.00 0.00 H new ATOM 0 HA SER A 93 1.370 -5.183 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.077 -3.849 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.784 -2.763 1.825 1.00 0.00 H new ATOM 0 HG SER A 93 2.129 -4.444 3.386 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.561 -2.539 0.521 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.947 -2.118 0.689 1.00 0.00 C ATOM 1434 C TYR A 94 -2.838 -2.734 -0.386 1.00 0.00 C ATOM 1435 O TYR A 94 -3.985 -3.098 -0.124 1.00 0.00 O ATOM 1436 CB TYR A 94 -2.047 -0.592 0.638 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.378 -0.090 0.124 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.628 0.005 -1.239 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.385 0.289 1.003 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.841 0.464 -1.713 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.603 0.748 0.538 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.826 0.834 -0.820 1.00 0.00 C ATOM 1443 OH TYR A 94 -7.037 1.290 -1.288 1.00 0.00 O ATOM 0 H TYR A 94 0.113 -1.774 0.503 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.291 -2.466 1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.878 -0.191 1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.252 -0.205 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.860 -0.285 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.213 0.224 2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.018 0.533 -2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.376 1.038 1.235 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.647 1.432 -0.534 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.301 -2.847 -1.596 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.046 -3.420 -2.712 1.00 0.00 C ATOM 1455 C LEU A 95 -3.222 -4.925 -2.534 1.00 0.00 C ATOM 1456 O LEU A 95 -4.345 -5.424 -2.471 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.328 -3.131 -4.031 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.416 -1.693 -4.542 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.428 -1.468 -5.677 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.833 -1.373 -4.995 1.00 0.00 C ATOM 0 H LEU A 95 -1.354 -2.550 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.033 -2.958 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.276 -3.390 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.735 -3.793 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.157 -1.021 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.505 -0.439 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.415 -1.655 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.655 -2.149 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.876 -0.345 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.120 -2.052 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.519 -1.493 -4.156 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.105 -5.641 -2.451 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.137 -7.088 -2.279 1.00 0.00 C ATOM 1474 C GLU A 96 -2.823 -7.465 -0.969 1.00 0.00 C ATOM 1475 O GLU A 96 -3.839 -8.159 -0.966 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.717 -7.659 -2.308 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.661 -9.162 -2.089 1.00 0.00 C ATOM 1478 CD GLU A 96 0.630 -9.776 -2.594 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.696 -9.472 -2.020 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.573 -10.562 -3.563 1.00 0.00 O ATOM 0 H GLU A 96 -1.167 -5.242 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.709 -7.514 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.259 -7.423 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.120 -7.166 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.769 -9.375 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.505 -9.631 -2.595 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.258 -7.003 0.142 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.813 -7.293 1.458 1.00 0.00 C ATOM 1489 C ARG A 97 -4.332 -7.144 1.453 1.00 0.00 C ATOM 1490 O ARG A 97 -5.052 -8.004 1.960 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.202 -6.363 2.508 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.738 -6.650 2.798 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.573 -7.896 3.654 1.00 0.00 C ATOM 1494 NE ARG A 97 -0.755 -7.611 5.075 1.00 0.00 N ATOM 1495 CZ ARG A 97 -0.993 -8.547 5.987 1.00 0.00 C ATOM 1496 NH1 ARG A 97 -1.077 -9.821 5.629 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -1.147 -8.209 7.261 1.00 0.00 N ATOM 0 H ARG A 97 -1.417 -6.427 0.157 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.568 -8.325 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.301 -5.332 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.771 -6.451 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.198 -6.778 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.293 -5.796 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.295 -8.650 3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.419 -8.318 3.493 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.696 -6.641 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.959 -10.085 4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.260 -10.537 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.083 -7.230 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.330 -8.928 7.961 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.811 -6.046 0.877 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.244 -5.784 0.805 1.00 0.00 C ATOM 1513 C HIS A 98 -6.948 -6.837 -0.046 1.00 0.00 C ATOM 1514 O HIS A 98 -8.037 -7.297 0.293 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.502 -4.391 0.229 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.299 -3.287 1.220 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.175 -2.230 1.359 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.315 -3.079 2.126 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.736 -1.419 2.305 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.610 -1.912 2.787 1.00 0.00 N ATOM 0 H HIS A 98 -4.228 -5.324 0.454 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.647 -5.831 1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.840 -4.230 -0.622 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.524 -4.346 -0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.457 -3.713 2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.216 -0.508 2.629 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.050 -1.494 3.530 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.316 -7.214 -1.154 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.896 -8.210 -2.036 1.00 0.00 C ATOM 1531 C GLY A 99 -7.295 -7.632 -3.379 1.00 0.00 C ATOM 1532 O GLY A 99 -8.289 -8.050 -3.974 1.00 0.00 O ATOM 0 H GLY A 99 -5.413 -6.848 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.179 -9.017 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.772 -8.649 -1.558 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.519 -6.666 -3.860 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.796 -6.028 -5.142 1.00 0.00 C ATOM 1538 C LEU A 100 -5.866 -6.559 -6.227 1.00 0.00 C ATOM 1539 O LEU A 100 -6.105 -6.354 -7.418 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.645 -4.510 -5.021 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.180 -3.882 -3.734 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.649 -2.458 -3.990 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.312 -4.723 -3.161 1.00 0.00 C ATOM 0 H LEU A 100 -5.693 -6.308 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.822 -6.264 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.587 -4.262 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.153 -4.046 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.371 -3.851 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.027 -2.027 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.814 -1.860 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.443 -2.465 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.681 -4.261 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.122 -4.786 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.945 -5.725 -2.940 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.806 -7.243 -5.809 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.842 -7.806 -6.745 1.00 0.00 C ATOM 1557 C ILE A 101 -3.347 -9.168 -6.272 1.00 0.00 C ATOM 1558 O ILE A 101 -3.159 -9.391 -5.077 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.633 -6.872 -6.939 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.962 -6.585 -5.594 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.067 -5.576 -7.608 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.509 -6.183 -5.717 1.00 0.00 C ATOM 0 H ILE A 101 -4.593 -7.420 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.358 -7.921 -7.698 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.910 -7.368 -7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.509 -5.790 -5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.033 -7.472 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.202 -4.926 -7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.504 -5.798 -8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.807 -5.074 -6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.098 -5.995 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.051 -6.986 -6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.432 -5.278 -6.319 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.135 -10.077 -7.219 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.660 -11.418 -6.899 1.00 0.00 C ATOM 1576 C ASN A 102 -3.699 -12.184 -6.086 1.00 0.00 C ATOM 1577 O ASN A 102 -3.408 -12.683 -4.998 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.343 -11.343 -6.124 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.270 -10.583 -6.879 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.537 -9.976 -7.916 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.952 -10.612 -6.360 1.00 0.00 N ATOM 0 H ASN A 102 -3.285 -9.909 -8.214 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.493 -11.951 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.518 -10.860 -5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.990 -12.353 -5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.715 -10.118 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.128 -11.128 -5.498 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.912 -12.273 -6.620 1.00 0.00 N ATOM 1589 CA PHE A 103 -5.996 -12.978 -5.945 1.00 0.00 C ATOM 1590 C PHE A 103 -6.530 -14.113 -6.812 1.00 0.00 C ATOM 1591 O PHE A 103 -7.684 -14.519 -6.681 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.127 -12.007 -5.601 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.503 -11.098 -6.736 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.909 -11.620 -7.954 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.451 -9.722 -6.585 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.255 -10.786 -9.000 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.797 -8.883 -7.628 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.198 -9.416 -8.837 1.00 0.00 C ATOM 0 H PHE A 103 -5.170 -11.866 -7.519 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.600 -13.405 -5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.005 -12.577 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.828 -11.402 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.955 -12.691 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.137 -9.300 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.570 -11.205 -9.944 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.754 -7.812 -7.497 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.467 -8.762 -9.654 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.682 -14.621 -7.701 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.086 -15.705 -8.578 1.00 0.00 C ATOM 1610 C GLY A 104 -4.946 -16.652 -8.893 1.00 0.00 C ATOM 1611 O GLY A 104 -4.937 -17.796 -8.438 1.00 0.00 O ATOM 0 H GLY A 104 -4.722 -14.301 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.898 -16.262 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.477 -15.290 -9.507 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.983 -16.176 -9.676 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.833 -16.989 -10.052 1.00 0.00 C ATOM 1617 C ILE A 105 -2.410 -17.905 -8.908 1.00 0.00 C ATOM 1618 O ILE A 105 -1.944 -19.022 -9.134 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.635 -16.114 -10.464 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.058 -15.394 -9.243 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.053 -15.111 -11.529 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -1.938 -14.275 -8.730 1.00 0.00 C ATOM 0 H ILE A 105 -3.977 -15.232 -10.062 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.140 -17.594 -10.905 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.861 -16.757 -10.883 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.903 -16.119 -8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.080 -14.988 -9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.195 -14.500 -11.810 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.422 -15.644 -12.406 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.842 -14.470 -11.136 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.467 -13.810 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.073 -13.530 -9.514 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.909 -14.678 -8.442 1.00 0.00 H new ATOM 1634 N TYR A 106 -2.577 -17.426 -7.681 1.00 0.00 N ATOM 1635 CA TYR A 106 -2.212 -18.201 -6.501 1.00 0.00 C ATOM 1636 C TYR A 106 -3.180 -17.934 -5.353 1.00 0.00 C ATOM 1637 O TYR A 106 -3.549 -16.790 -5.089 1.00 0.00 O ATOM 1638 CB TYR A 106 -0.784 -17.866 -6.067 1.00 0.00 C ATOM 1639 CG TYR A 106 -0.669 -16.556 -5.322 1.00 0.00 C ATOM 1640 CD1 TYR A 106 -1.241 -16.396 -4.066 1.00 0.00 C ATOM 1641 CD2 TYR A 106 0.011 -15.477 -5.874 1.00 0.00 C ATOM 1642 CE1 TYR A 106 -1.139 -15.200 -3.381 1.00 0.00 C ATOM 1643 CE2 TYR A 106 0.119 -14.278 -5.196 1.00 0.00 C ATOM 1644 CZ TYR A 106 -0.458 -14.145 -3.950 1.00 0.00 C ATOM 1645 OH TYR A 106 -0.354 -12.952 -3.273 1.00 0.00 O ATOM 0 H TYR A 106 -2.963 -16.504 -7.477 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.267 -19.258 -6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.408 -18.669 -5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.144 -17.830 -6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.775 -17.221 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.463 -15.577 -6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.590 -15.093 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.652 -13.450 -5.639 1.00 0.00 H new ATOM 0 HH TYR A 106 0.088 -12.289 -3.844 1.00 0.00 H new ATOM 1655 N LYS A 107 -3.588 -19.000 -4.672 1.00 0.00 N ATOM 1656 CA LYS A 107 -4.512 -18.884 -3.550 1.00 0.00 C ATOM 1657 C LYS A 107 -3.788 -19.098 -2.225 1.00 0.00 C ATOM 1658 O LYS A 107 -3.665 -20.227 -1.749 1.00 0.00 O ATOM 1659 CB LYS A 107 -5.649 -19.899 -3.692 1.00 0.00 C ATOM 1660 CG LYS A 107 -6.897 -19.526 -2.911 1.00 0.00 C ATOM 1661 CD LYS A 107 -7.895 -18.778 -3.779 1.00 0.00 C ATOM 1662 CE LYS A 107 -7.713 -17.272 -3.665 1.00 0.00 C ATOM 1663 NZ LYS A 107 -8.102 -16.766 -2.319 1.00 0.00 N ATOM 0 H LYS A 107 -3.293 -19.954 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.929 -17.877 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.906 -19.999 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.298 -20.875 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.363 -20.428 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.621 -18.908 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.775 -19.083 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.909 -19.047 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.672 -17.016 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.313 -16.775 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.324 -15.752 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.938 -17.284 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.315 -16.908 -1.654 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.311 -18.007 -1.633 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.600 -18.076 -0.363 1.00 0.00 C ATOM 1679 C ARG A 108 -3.560 -17.888 0.809 1.00 0.00 C ATOM 1680 O ARG A 108 -3.597 -18.704 1.730 1.00 0.00 O ATOM 1681 CB ARG A 108 -1.501 -17.014 -0.311 1.00 0.00 C ATOM 1682 CG ARG A 108 -0.864 -16.863 1.061 1.00 0.00 C ATOM 1683 CD ARG A 108 0.299 -17.825 1.244 1.00 0.00 C ATOM 1684 NE ARG A 108 -0.141 -19.218 1.264 1.00 0.00 N ATOM 1685 CZ ARG A 108 -0.582 -19.834 2.355 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -0.641 -19.183 3.509 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -0.965 -21.103 2.293 1.00 0.00 N ATOM 0 H ARG A 108 -3.405 -17.065 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.146 -19.064 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.727 -17.268 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.920 -16.055 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -0.514 -15.839 1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.612 -17.044 1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 108 1.017 -17.683 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.817 -17.595 2.175 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.108 -19.747 0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.347 -18.207 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.980 -19.658 4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.921 -21.606 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.303 -21.575 3.131 1.00 0.00 H new ATOM 1701 N ILE A 109 -4.333 -16.809 0.766 1.00 0.00 N ATOM 1702 CA ILE A 109 -5.292 -16.514 1.823 1.00 0.00 C ATOM 1703 C ILE A 109 -6.066 -17.765 2.227 1.00 0.00 C ATOM 1704 O ILE A 109 -6.204 -18.068 3.412 1.00 0.00 O ATOM 1705 CB ILE A 109 -6.291 -15.425 1.390 1.00 0.00 C ATOM 1706 CG1 ILE A 109 -5.547 -14.139 1.021 1.00 0.00 C ATOM 1707 CG2 ILE A 109 -7.300 -15.160 2.497 1.00 0.00 C ATOM 1708 CD1 ILE A 109 -6.347 -13.212 0.132 1.00 0.00 C ATOM 0 H ILE A 109 -4.314 -16.124 0.010 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.719 -16.151 2.676 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.831 -15.777 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.277 -13.610 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.616 -14.399 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.999 -14.388 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -7.848 -16.076 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -6.777 -14.826 3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.758 -12.322 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.594 -13.724 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.266 -12.922 0.642 1.00 0.00 H new ATOM 1720 N LYS A 110 -6.568 -18.490 1.233 1.00 0.00 N ATOM 1721 CA LYS A 110 -7.325 -19.711 1.483 1.00 0.00 C ATOM 1722 C LYS A 110 -6.477 -20.734 2.230 1.00 0.00 C ATOM 1723 O LYS A 110 -5.364 -21.070 1.824 1.00 0.00 O ATOM 1724 CB LYS A 110 -7.819 -20.308 0.163 1.00 0.00 C ATOM 1725 CG LYS A 110 -8.780 -21.471 0.343 1.00 0.00 C ATOM 1726 CD LYS A 110 -9.639 -21.681 -0.893 1.00 0.00 C ATOM 1727 CE LYS A 110 -8.982 -22.643 -1.871 1.00 0.00 C ATOM 1728 NZ LYS A 110 -9.045 -24.051 -1.391 1.00 0.00 N ATOM 0 H LYS A 110 -6.464 -18.253 0.246 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.184 -19.456 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.311 -19.528 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.960 -20.644 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.217 -22.380 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.421 -21.285 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.614 -22.069 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.813 -20.723 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.474 -22.568 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.941 -22.356 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.841 -24.696 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.342 -24.193 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.996 -24.249 -1.019 1.00 0.00 H new ATOM 1742 N PRO A 111 -7.013 -21.245 3.349 1.00 0.00 N ATOM 1743 CA PRO A 111 -6.322 -22.239 4.175 1.00 0.00 C ATOM 1744 C PRO A 111 -6.222 -23.596 3.487 1.00 0.00 C ATOM 1745 O PRO A 111 -6.810 -23.811 2.426 1.00 0.00 O ATOM 1746 CB PRO A 111 -7.203 -22.337 5.423 1.00 0.00 C ATOM 1747 CG PRO A 111 -8.558 -21.922 4.964 1.00 0.00 C ATOM 1748 CD PRO A 111 -8.335 -20.891 3.892 1.00 0.00 C ATOM 0 HA PRO A 111 -5.292 -21.950 4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -7.214 -23.352 5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -6.838 -21.686 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.116 -22.774 4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.139 -21.509 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.109 -20.934 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.345 -19.880 4.299 1.00 0.00 H new ATOM 1756 N LEU A 112 -5.475 -24.510 4.096 1.00 0.00 N ATOM 1757 CA LEU A 112 -5.298 -25.848 3.542 1.00 0.00 C ATOM 1758 C LEU A 112 -5.157 -26.883 4.653 1.00 0.00 C ATOM 1759 O LEU A 112 -4.564 -26.628 5.702 1.00 0.00 O ATOM 1760 CB LEU A 112 -4.068 -25.886 2.634 1.00 0.00 C ATOM 1761 CG LEU A 112 -3.809 -24.631 1.800 1.00 0.00 C ATOM 1762 CD1 LEU A 112 -2.352 -24.567 1.369 1.00 0.00 C ATOM 1763 CD2 LEU A 112 -4.728 -24.597 0.588 1.00 0.00 C ATOM 0 H LEU A 112 -4.982 -24.349 4.974 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.183 -26.092 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.190 -26.074 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.168 -26.734 1.956 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.022 -23.758 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.187 -23.667 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.712 -24.543 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.111 -25.445 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.530 -23.697 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.547 -25.476 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.767 -24.594 0.919 1.00 0.00 H new ATOM 1775 N PRO A 113 -5.711 -28.082 4.419 1.00 0.00 N ATOM 1776 CA PRO A 113 -5.658 -29.181 5.387 1.00 0.00 C ATOM 1777 C PRO A 113 -4.252 -29.752 5.539 1.00 0.00 C ATOM 1778 O PRO A 113 -3.299 -29.252 4.941 1.00 0.00 O ATOM 1779 CB PRO A 113 -6.598 -30.229 4.786 1.00 0.00 C ATOM 1780 CG PRO A 113 -6.596 -29.945 3.324 1.00 0.00 C ATOM 1781 CD PRO A 113 -6.432 -28.456 3.191 1.00 0.00 C ATOM 0 HA PRO A 113 -5.943 -28.857 6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -6.248 -31.240 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -7.601 -30.147 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -5.783 -30.473 2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.525 -30.278 2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -5.867 -28.192 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -7.395 -27.950 3.120 1.00 0.00 H new ATOM 1789 N THR A 114 -4.128 -30.803 6.344 1.00 0.00 N ATOM 1790 CA THR A 114 -2.839 -31.442 6.575 1.00 0.00 C ATOM 1791 C THR A 114 -2.808 -32.847 5.986 1.00 0.00 C ATOM 1792 O THR A 114 -3.314 -33.795 6.587 1.00 0.00 O ATOM 1793 CB THR A 114 -2.512 -31.520 8.078 1.00 0.00 C ATOM 1794 OG1 THR A 114 -3.515 -32.281 8.759 1.00 0.00 O ATOM 1795 CG2 THR A 114 -2.426 -30.128 8.686 1.00 0.00 C ATOM 0 H THR A 114 -4.906 -31.230 6.847 1.00 0.00 H new ATOM 0 HA THR A 114 -2.088 -30.827 6.079 1.00 0.00 H new ATOM 0 HB THR A 114 -1.545 -32.010 8.191 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.685 -33.112 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 114 -2.194 -30.209 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.642 -29.560 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 114 -3.380 -29.617 8.561 1.00 0.00 H new ATOM 1803 N LYS A 115 -2.209 -32.977 4.807 1.00 0.00 N ATOM 1804 CA LYS A 115 -2.110 -34.268 4.136 1.00 0.00 C ATOM 1805 C LYS A 115 -0.668 -34.765 4.125 1.00 0.00 C ATOM 1806 O LYS A 115 0.266 -33.988 3.923 1.00 0.00 O ATOM 1807 CB LYS A 115 -2.636 -34.163 2.703 1.00 0.00 C ATOM 1808 CG LYS A 115 -2.800 -35.508 2.016 1.00 0.00 C ATOM 1809 CD LYS A 115 -2.726 -35.374 0.504 1.00 0.00 C ATOM 1810 CE LYS A 115 -2.661 -36.734 -0.173 1.00 0.00 C ATOM 1811 NZ LYS A 115 -3.956 -37.462 -0.082 1.00 0.00 N ATOM 0 H LYS A 115 -1.784 -32.203 4.296 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.719 -34.984 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.598 -33.650 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.953 -33.546 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.023 -36.191 2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.757 -35.947 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.597 -34.828 0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.848 -34.789 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.390 -36.605 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.875 -37.332 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.870 -38.384 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.203 -37.608 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.701 -36.904 -0.545 1.00 0.00 H new ATOM 1825 N LYS A 116 -0.493 -36.064 4.341 1.00 0.00 N ATOM 1826 CA LYS A 116 0.835 -36.667 4.352 1.00 0.00 C ATOM 1827 C LYS A 116 1.472 -36.605 2.968 1.00 0.00 C ATOM 1828 O LYS A 116 1.350 -37.538 2.174 1.00 0.00 O ATOM 1829 CB LYS A 116 0.754 -38.120 4.824 1.00 0.00 C ATOM 1830 CG LYS A 116 0.796 -38.273 6.334 1.00 0.00 C ATOM 1831 CD LYS A 116 -0.533 -37.901 6.970 1.00 0.00 C ATOM 1832 CE LYS A 116 -0.349 -37.390 8.390 1.00 0.00 C ATOM 1833 NZ LYS A 116 -0.094 -38.499 9.350 1.00 0.00 N ATOM 0 H LYS A 116 -1.255 -36.720 4.511 1.00 0.00 H new ATOM 0 HA LYS A 116 1.458 -36.101 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.168 -38.564 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.580 -38.681 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.047 -39.303 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.585 -37.642 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.024 -37.136 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.190 -38.771 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.484 -36.687 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.240 -36.842 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.026 -38.109 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.900 -39.157 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.770 -39.007 9.072 1.00 0.00 H new ATOM 1847 N THR A 117 2.156 -35.500 2.685 1.00 0.00 N ATOM 1848 CA THR A 117 2.813 -35.317 1.397 1.00 0.00 C ATOM 1849 C THR A 117 4.244 -34.824 1.575 1.00 0.00 C ATOM 1850 O THR A 117 4.622 -34.360 2.650 1.00 0.00 O ATOM 1851 CB THR A 117 2.045 -34.318 0.511 1.00 0.00 C ATOM 1852 OG1 THR A 117 2.654 -34.242 -0.783 1.00 0.00 O ATOM 1853 CG2 THR A 117 2.021 -32.937 1.148 1.00 0.00 C ATOM 0 H THR A 117 2.269 -34.719 3.331 1.00 0.00 H new ATOM 0 HA THR A 117 2.825 -36.291 0.908 1.00 0.00 H new ATOM 0 HB THR A 117 1.019 -34.671 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.159 -33.606 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.473 -32.249 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.530 -32.993 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 117 3.042 -32.578 1.277 1.00 0.00 H new ATOM 1861 N GLY A 118 5.038 -34.927 0.513 1.00 0.00 N ATOM 1862 CA GLY A 118 6.419 -34.487 0.574 1.00 0.00 C ATOM 1863 C GLY A 118 6.608 -33.091 0.013 1.00 0.00 C ATOM 1864 O GLY A 118 6.747 -32.915 -1.197 1.00 0.00 O ATOM 0 H GLY A 118 4.749 -35.307 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 118 6.758 -34.508 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.045 -35.186 0.019 1.00 0.00 H new ATOM 1868 N SER A 119 6.611 -32.096 0.895 1.00 0.00 N ATOM 1869 CA SER A 119 6.779 -30.708 0.480 1.00 0.00 C ATOM 1870 C SER A 119 7.853 -30.018 1.316 1.00 0.00 C ATOM 1871 O SER A 119 8.070 -30.364 2.476 1.00 0.00 O ATOM 1872 CB SER A 119 5.454 -29.953 0.606 1.00 0.00 C ATOM 1873 OG SER A 119 5.503 -28.719 -0.089 1.00 0.00 O ATOM 0 H SER A 119 6.499 -32.225 1.901 1.00 0.00 H new ATOM 0 HA SER A 119 7.095 -30.701 -0.563 1.00 0.00 H new ATOM 0 HB2 SER A 119 4.644 -30.565 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.233 -29.773 1.658 1.00 0.00 H new ATOM 0 HG SER A 119 4.644 -28.256 0.005 1.00 0.00 H new ATOM 1879 N GLY A 120 8.522 -29.038 0.715 1.00 0.00 N ATOM 1880 CA GLY A 120 9.565 -28.314 1.418 1.00 0.00 C ATOM 1881 C GLY A 120 9.144 -27.899 2.814 1.00 0.00 C ATOM 1882 O GLY A 120 7.962 -27.911 3.158 1.00 0.00 O ATOM 0 H GLY A 120 8.360 -28.733 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 120 10.456 -28.938 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 120 9.837 -27.427 0.845 1.00 0.00 H new ATOM 1886 N PRO A 121 10.128 -27.525 3.645 1.00 0.00 N ATOM 1887 CA PRO A 121 9.878 -27.099 5.026 1.00 0.00 C ATOM 1888 C PRO A 121 9.170 -25.751 5.098 1.00 0.00 C ATOM 1889 O PRO A 121 8.841 -25.268 6.181 1.00 0.00 O ATOM 1890 CB PRO A 121 11.282 -26.999 5.626 1.00 0.00 C ATOM 1891 CG PRO A 121 12.176 -26.751 4.460 1.00 0.00 C ATOM 1892 CD PRO A 121 11.559 -27.487 3.302 1.00 0.00 C ATOM 0 HA PRO A 121 9.223 -27.792 5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.345 -26.189 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.556 -27.916 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.254 -25.685 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 121 13.185 -27.111 4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 121 11.732 -26.969 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.974 -28.490 3.196 1.00 0.00 H new ATOM 1900 N SER A 122 8.938 -25.147 3.936 1.00 0.00 N ATOM 1901 CA SER A 122 8.271 -23.851 3.868 1.00 0.00 C ATOM 1902 C SER A 122 7.127 -23.775 4.875 1.00 0.00 C ATOM 1903 O SER A 122 6.043 -24.309 4.640 1.00 0.00 O ATOM 1904 CB SER A 122 7.740 -23.601 2.456 1.00 0.00 C ATOM 1905 OG SER A 122 6.729 -24.535 2.118 1.00 0.00 O ATOM 0 H SER A 122 9.202 -25.534 3.030 1.00 0.00 H new ATOM 0 HA SER A 122 9.001 -23.081 4.116 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.342 -22.589 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.558 -23.670 1.739 1.00 0.00 H new ATOM 0 HG SER A 122 6.130 -24.660 2.884 1.00 0.00 H new ATOM 1911 N SER A 123 7.378 -23.108 5.997 1.00 0.00 N ATOM 1912 CA SER A 123 6.371 -22.965 7.042 1.00 0.00 C ATOM 1913 C SER A 123 5.537 -21.706 6.824 1.00 0.00 C ATOM 1914 O SER A 123 4.310 -21.740 6.898 1.00 0.00 O ATOM 1915 CB SER A 123 7.037 -22.916 8.418 1.00 0.00 C ATOM 1916 OG SER A 123 7.558 -24.184 8.777 1.00 0.00 O ATOM 0 H SER A 123 8.269 -22.658 6.206 1.00 0.00 H new ATOM 0 HA SER A 123 5.710 -23.831 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.839 -22.178 8.411 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.312 -22.592 9.165 1.00 0.00 H new ATOM 0 HG SER A 123 7.984 -24.596 7.996 1.00 0.00 H new ATOM 1922 N GLY A 124 6.214 -20.594 6.554 1.00 0.00 N ATOM 1923 CA GLY A 124 5.521 -19.339 6.329 1.00 0.00 C ATOM 1924 C GLY A 124 5.314 -18.554 7.608 1.00 0.00 C ATOM 1925 O GLY A 124 5.017 -19.128 8.656 1.00 0.00 O ATOM 0 H GLY A 124 7.230 -20.540 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.091 -18.734 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.554 -19.539 5.869 1.00 0.00 H new TER 1929 GLY A 124