USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 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 34 HIS :FLIP no HD1:sc= -2.99 F(o=-6.8!,f=-3.3) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -144:sc= -0.298 (180deg=-0.881) USER MOD Set 2.1: A 52 GLN :FLIP amide:sc= -0.803 F(o=-5.6!,f=0.32) USER MOD Set 2.2: A 60 TYR OH : rot -90:sc= 1.12 USER MOD Single : A 1 MET CE :methyl -118:sc= 0 (180deg=-0.0643) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0327 (180deg=-0.335) 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 17 ASN : amide:sc= -2.65! C(o=-2.7!,f=-4.5!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 35 ASN : amide:sc= -5.32! C(o=-5.3!,f=-7.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 40 SER OG : rot 180:sc= -0.939 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 38:sc= 0.917 USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.243 (180deg=-1.3!) USER MOD Single : A 53 GLN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -12:sc= -3.31! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.562 (180deg=0.562) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -139:sc= -0.162 (180deg=-2.45!) USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0.11 (180deg=0.00118) USER MOD Single : A 91 GLN : amide:sc= -0.0986 K(o=-0.099,f=-0.82) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.413 -16.900 -29.173 1.00 0.00 N ATOM 2 CA MET A 1 -0.318 -18.207 -28.557 1.00 0.00 C ATOM 3 C MET A 1 -0.469 -18.082 -27.048 1.00 0.00 C ATOM 4 O MET A 1 0.116 -18.856 -26.294 1.00 0.00 O ATOM 5 CB MET A 1 1.023 -18.841 -28.913 1.00 0.00 C ATOM 6 CG MET A 1 0.797 -20.006 -29.873 1.00 0.00 C ATOM 7 SD MET A 1 0.104 -21.481 -29.086 1.00 0.00 S ATOM 8 CE MET A 1 1.598 -22.104 -28.273 1.00 0.00 C ATOM 0 H1 MET A 1 -0.062 -16.951 -30.151 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.406 -16.589 -29.177 1.00 0.00 H new ATOM 0 H3 MET A 1 0.160 -16.220 -28.634 1.00 0.00 H new ATOM 0 HA MET A 1 -1.119 -18.845 -28.930 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.677 -18.100 -29.372 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.523 -19.192 -28.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.127 -19.683 -30.670 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.746 -20.268 -30.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.845 -23.088 -28.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.425 -21.419 -28.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.423 -22.180 -27.200 1.00 0.00 H new ATOM 20 N SER A 2 -1.260 -17.100 -26.607 1.00 0.00 N ATOM 21 CA SER A 2 -1.485 -16.877 -25.193 1.00 0.00 C ATOM 22 C SER A 2 -2.960 -17.065 -24.870 1.00 0.00 C ATOM 23 O SER A 2 -3.819 -16.856 -25.724 1.00 0.00 O ATOM 24 CB SER A 2 -1.024 -15.472 -24.820 1.00 0.00 C ATOM 25 OG SER A 2 0.358 -15.490 -24.542 1.00 0.00 O ATOM 0 H SER A 2 -1.753 -16.449 -27.219 1.00 0.00 H new ATOM 0 HA SER A 2 -0.911 -17.599 -24.611 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.233 -14.780 -25.636 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.576 -15.115 -23.951 1.00 0.00 H new ATOM 0 HG SER A 2 0.656 -14.587 -24.304 1.00 0.00 H new ATOM 31 N SER A 3 -3.254 -17.459 -23.628 1.00 0.00 N ATOM 32 CA SER A 3 -4.622 -17.670 -23.198 1.00 0.00 C ATOM 33 C SER A 3 -4.644 -18.085 -21.733 1.00 0.00 C ATOM 34 O SER A 3 -3.615 -18.452 -21.173 1.00 0.00 O ATOM 35 CB SER A 3 -5.271 -18.738 -24.073 1.00 0.00 C ATOM 36 OG SER A 3 -4.620 -19.972 -23.868 1.00 0.00 O ATOM 0 H SER A 3 -2.554 -17.636 -22.907 1.00 0.00 H new ATOM 0 HA SER A 3 -5.187 -16.743 -23.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.330 -18.828 -23.830 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.208 -18.451 -25.123 1.00 0.00 H new ATOM 0 HG SER A 3 -5.037 -20.659 -24.428 1.00 0.00 H new ATOM 42 N ASP A 4 -5.826 -18.027 -21.115 1.00 0.00 N ATOM 43 CA ASP A 4 -5.978 -18.395 -19.721 1.00 0.00 C ATOM 44 C ASP A 4 -5.295 -17.362 -18.837 1.00 0.00 C ATOM 45 O ASP A 4 -4.463 -16.591 -19.309 1.00 0.00 O ATOM 46 CB ASP A 4 -5.380 -19.781 -19.496 1.00 0.00 C ATOM 47 CG ASP A 4 -6.458 -20.783 -19.107 1.00 0.00 C ATOM 48 OD1 ASP A 4 -7.219 -20.463 -18.169 1.00 0.00 O ATOM 49 OD2 ASP A 4 -6.501 -21.850 -19.757 1.00 0.00 O ATOM 0 H ASP A 4 -6.690 -17.727 -21.567 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.036 -18.423 -19.460 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.877 -20.116 -20.403 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.624 -19.732 -18.712 1.00 0.00 H new ATOM 54 N GLY A 5 -5.649 -17.347 -17.550 1.00 0.00 N ATOM 55 CA GLY A 5 -5.068 -16.408 -16.612 1.00 0.00 C ATOM 56 C GLY A 5 -6.140 -15.477 -16.065 1.00 0.00 C ATOM 57 O GLY A 5 -6.527 -14.513 -16.721 1.00 0.00 O ATOM 0 H GLY A 5 -6.337 -17.979 -17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.593 -16.948 -15.793 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.288 -15.827 -17.104 1.00 0.00 H new ATOM 61 N GLY A 6 -6.623 -15.769 -14.854 1.00 0.00 N ATOM 62 CA GLY A 6 -7.647 -14.959 -14.227 1.00 0.00 C ATOM 63 C GLY A 6 -7.726 -15.267 -12.738 1.00 0.00 C ATOM 64 O GLY A 6 -8.246 -16.308 -12.343 1.00 0.00 O ATOM 0 H GLY A 6 -6.314 -16.564 -14.295 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.426 -13.902 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.611 -15.152 -14.697 1.00 0.00 H new ATOM 68 N PRO A 7 -7.207 -14.356 -11.912 1.00 0.00 N ATOM 69 CA PRO A 7 -7.191 -14.477 -10.470 1.00 0.00 C ATOM 70 C PRO A 7 -8.598 -14.271 -9.926 1.00 0.00 C ATOM 71 O PRO A 7 -9.325 -13.397 -10.393 1.00 0.00 O ATOM 72 CB PRO A 7 -6.253 -13.369 -9.994 1.00 0.00 C ATOM 73 CG PRO A 7 -6.425 -12.296 -11.069 1.00 0.00 C ATOM 74 CD PRO A 7 -6.588 -13.121 -12.343 1.00 0.00 C ATOM 0 HA PRO A 7 -6.857 -15.457 -10.130 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.530 -13.000 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.221 -13.713 -9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.296 -11.668 -10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.560 -11.634 -11.123 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.209 -12.602 -13.073 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.625 -13.307 -12.819 1.00 0.00 H new ATOM 82 N VAL A 8 -8.982 -15.083 -8.937 1.00 0.00 N ATOM 83 CA VAL A 8 -10.296 -14.988 -8.337 1.00 0.00 C ATOM 84 C VAL A 8 -10.232 -14.120 -7.088 1.00 0.00 C ATOM 85 O VAL A 8 -9.501 -14.436 -6.149 1.00 0.00 O ATOM 86 CB VAL A 8 -10.801 -16.387 -7.997 1.00 0.00 C ATOM 87 CG1 VAL A 8 -12.112 -16.281 -7.222 1.00 0.00 C ATOM 88 CG2 VAL A 8 -11.035 -17.170 -9.286 1.00 0.00 C ATOM 0 H VAL A 8 -8.391 -15.814 -8.540 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.989 -14.526 -9.041 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.059 -16.903 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.473 -17.280 -6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.946 -15.721 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.854 -15.765 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.396 -18.170 -9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.777 -16.654 -9.896 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.100 -17.246 -9.840 1.00 0.00 H new ATOM 98 N LEU A 9 -10.995 -13.027 -7.080 1.00 0.00 N ATOM 99 CA LEU A 9 -11.020 -12.100 -5.949 1.00 0.00 C ATOM 100 C LEU A 9 -12.445 -11.832 -5.459 1.00 0.00 C ATOM 101 O LEU A 9 -13.350 -11.569 -6.247 1.00 0.00 O ATOM 102 CB LEU A 9 -10.350 -10.783 -6.349 1.00 0.00 C ATOM 103 CG LEU A 9 -8.903 -10.924 -6.869 1.00 0.00 C ATOM 104 CD1 LEU A 9 -8.715 -10.186 -8.192 1.00 0.00 C ATOM 105 CD2 LEU A 9 -7.902 -10.415 -5.837 1.00 0.00 C ATOM 0 H LEU A 9 -11.608 -12.761 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.472 -12.562 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.953 -10.304 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.348 -10.116 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.719 -11.985 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.686 -10.304 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.393 -10.599 -8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.931 -9.127 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.890 -10.525 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.098 -9.363 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.002 -10.992 -4.918 1.00 0.00 H new ATOM 117 N GLY A 10 -12.633 -11.908 -4.139 1.00 0.00 N ATOM 118 CA GLY A 10 -13.935 -11.682 -3.542 1.00 0.00 C ATOM 119 C GLY A 10 -13.786 -11.347 -2.064 1.00 0.00 C ATOM 120 O GLY A 10 -13.329 -12.172 -1.278 1.00 0.00 O ATOM 0 H GLY A 10 -11.894 -12.125 -3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.443 -10.867 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.556 -12.570 -3.660 1.00 0.00 H new ATOM 124 N GLY A 11 -14.176 -10.126 -1.688 1.00 0.00 N ATOM 125 CA GLY A 11 -14.083 -9.689 -0.309 1.00 0.00 C ATOM 126 C GLY A 11 -13.171 -8.475 -0.201 1.00 0.00 C ATOM 127 O GLY A 11 -12.005 -8.534 -0.582 1.00 0.00 O ATOM 0 H GLY A 11 -14.558 -9.428 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.075 -9.442 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.698 -10.498 0.311 1.00 0.00 H new ATOM 131 N VAL A 12 -13.710 -7.371 0.322 1.00 0.00 N ATOM 132 CA VAL A 12 -12.948 -6.149 0.479 1.00 0.00 C ATOM 133 C VAL A 12 -13.493 -5.349 1.654 1.00 0.00 C ATOM 134 O VAL A 12 -14.700 -5.155 1.770 1.00 0.00 O ATOM 135 CB VAL A 12 -13.023 -5.334 -0.810 1.00 0.00 C ATOM 136 CG1 VAL A 12 -14.437 -4.791 -0.987 1.00 0.00 C ATOM 137 CG2 VAL A 12 -12.037 -4.173 -0.735 1.00 0.00 C ATOM 0 H VAL A 12 -14.676 -7.308 0.643 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.904 -6.390 0.681 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.770 -5.971 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.491 -4.209 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.141 -5.621 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.691 -4.154 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.090 -3.591 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.289 -3.536 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.026 -4.561 -0.609 1.00 0.00 H new ATOM 147 N GLU A 13 -12.595 -4.885 2.528 1.00 0.00 N ATOM 148 CA GLU A 13 -12.993 -4.110 3.687 1.00 0.00 C ATOM 149 C GLU A 13 -12.404 -2.708 3.600 1.00 0.00 C ATOM 150 O GLU A 13 -11.238 -2.499 3.929 1.00 0.00 O ATOM 151 CB GLU A 13 -12.522 -4.816 4.955 1.00 0.00 C ATOM 152 CG GLU A 13 -13.389 -4.379 6.132 1.00 0.00 C ATOM 153 CD GLU A 13 -13.798 -5.576 6.979 1.00 0.00 C ATOM 154 OE1 GLU A 13 -14.507 -6.445 6.427 1.00 0.00 O ATOM 155 OE2 GLU A 13 -13.396 -5.598 8.162 1.00 0.00 O ATOM 0 H GLU A 13 -11.590 -5.037 2.447 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.079 -4.024 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.583 -5.897 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.477 -4.576 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.842 -3.664 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.279 -3.868 5.764 1.00 0.00 H new ATOM 162 N PRO A 14 -13.217 -1.747 3.156 1.00 0.00 N ATOM 163 CA PRO A 14 -12.835 -0.359 3.009 1.00 0.00 C ATOM 164 C PRO A 14 -12.708 0.284 4.384 1.00 0.00 C ATOM 165 O PRO A 14 -13.554 0.072 5.250 1.00 0.00 O ATOM 166 CB PRO A 14 -13.969 0.277 2.209 1.00 0.00 C ATOM 167 CG PRO A 14 -15.182 -0.556 2.620 1.00 0.00 C ATOM 168 CD PRO A 14 -14.593 -1.958 2.761 1.00 0.00 C ATOM 0 HA PRO A 14 -11.874 -0.234 2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.098 1.330 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.786 0.223 1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.617 -0.204 3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.971 -0.522 1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.133 -2.540 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.654 -2.508 1.822 1.00 0.00 H new ATOM 176 N VAL A 15 -11.649 1.070 4.582 1.00 0.00 N ATOM 177 CA VAL A 15 -11.417 1.737 5.847 1.00 0.00 C ATOM 178 C VAL A 15 -10.451 2.897 5.648 1.00 0.00 C ATOM 179 O VAL A 15 -10.182 3.298 4.518 1.00 0.00 O ATOM 180 CB VAL A 15 -10.858 0.735 6.855 1.00 0.00 C ATOM 181 CG1 VAL A 15 -9.371 0.522 6.591 1.00 0.00 C ATOM 182 CG2 VAL A 15 -11.053 1.275 8.269 1.00 0.00 C ATOM 0 H VAL A 15 -10.939 1.256 3.873 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.357 2.134 6.232 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.383 -0.215 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.972 -0.193 7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.232 0.136 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.844 1.471 6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.654 0.561 8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.528 2.225 8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.116 1.426 8.458 1.00 0.00 H new ATOM 192 N GLY A 16 -9.927 3.436 6.752 1.00 0.00 N ATOM 193 CA GLY A 16 -8.996 4.544 6.689 1.00 0.00 C ATOM 194 C GLY A 16 -8.842 5.182 8.064 1.00 0.00 C ATOM 195 O GLY A 16 -9.829 5.557 8.692 1.00 0.00 O ATOM 0 H GLY A 16 -10.138 3.116 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.027 4.194 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.351 5.286 5.974 1.00 0.00 H new ATOM 199 N ASN A 17 -7.596 5.302 8.529 1.00 0.00 N ATOM 200 CA ASN A 17 -7.319 5.892 9.822 1.00 0.00 C ATOM 201 C ASN A 17 -5.860 5.666 10.193 1.00 0.00 C ATOM 202 O ASN A 17 -5.487 4.584 10.639 1.00 0.00 O ATOM 203 CB ASN A 17 -8.243 5.277 10.869 1.00 0.00 C ATOM 204 CG ASN A 17 -8.566 3.830 10.525 1.00 0.00 C ATOM 205 OD1 ASN A 17 -7.783 3.159 9.858 1.00 0.00 O ATOM 206 ND2 ASN A 17 -9.724 3.349 10.985 1.00 0.00 N ATOM 0 H ASN A 17 -6.767 4.995 8.020 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.500 6.966 9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.770 5.325 11.850 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.165 5.855 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.991 2.385 10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.342 3.946 11.535 1.00 0.00 H new ATOM 213 N GLU A 18 -5.030 6.697 10.007 1.00 0.00 N ATOM 214 CA GLU A 18 -3.620 6.606 10.324 1.00 0.00 C ATOM 215 C GLU A 18 -3.439 6.124 11.756 1.00 0.00 C ATOM 216 O GLU A 18 -2.371 5.636 12.121 1.00 0.00 O ATOM 217 CB GLU A 18 -2.967 7.972 10.127 1.00 0.00 C ATOM 218 CG GLU A 18 -3.087 8.385 8.663 1.00 0.00 C ATOM 219 CD GLU A 18 -2.312 9.668 8.396 1.00 0.00 C ATOM 220 OE1 GLU A 18 -1.074 9.564 8.252 1.00 0.00 O ATOM 221 OE2 GLU A 18 -2.971 10.728 8.340 1.00 0.00 O ATOM 0 H GLU A 18 -5.321 7.602 9.637 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.141 5.887 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.448 8.713 10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.918 7.931 10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.709 7.587 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.137 8.529 8.406 1.00 0.00 H new ATOM 228 N ASN A 19 -4.488 6.263 12.570 1.00 0.00 N ATOM 229 CA ASN A 19 -4.441 5.840 13.955 1.00 0.00 C ATOM 230 C ASN A 19 -3.804 4.462 14.056 1.00 0.00 C ATOM 231 O ASN A 19 -3.167 4.139 15.056 1.00 0.00 O ATOM 232 CB ASN A 19 -5.855 5.826 14.530 1.00 0.00 C ATOM 233 CG ASN A 19 -5.970 6.776 15.713 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.689 6.395 16.847 1.00 0.00 O ATOM 235 ND2 ASN A 19 -6.383 8.017 15.447 1.00 0.00 N ATOM 0 H ASN A 19 -5.380 6.668 12.284 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.835 6.539 14.531 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.569 6.113 13.758 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.114 4.815 14.844 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.477 8.696 16.202 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.605 8.286 14.488 1.00 0.00 H new ATOM 242 N ASP A 20 -3.979 3.647 13.013 1.00 0.00 N ATOM 243 CA ASP A 20 -3.424 2.308 12.988 1.00 0.00 C ATOM 244 C ASP A 20 -1.998 2.353 12.458 1.00 0.00 C ATOM 245 O ASP A 20 -1.776 2.193 11.257 1.00 0.00 O ATOM 246 CB ASP A 20 -4.298 1.412 12.114 1.00 0.00 C ATOM 247 CG ASP A 20 -5.774 1.647 12.400 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.190 2.823 12.309 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.459 0.647 12.705 1.00 0.00 O ATOM 0 H ASP A 20 -4.504 3.900 12.176 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.403 1.899 13.998 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.091 1.610 11.062 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.050 0.366 12.296 1.00 0.00 H new ATOM 254 N LEU A 21 -1.034 2.570 13.353 1.00 0.00 N ATOM 255 CA LEU A 21 0.378 2.649 12.977 1.00 0.00 C ATOM 256 C LEU A 21 0.748 1.606 11.920 1.00 0.00 C ATOM 257 O LEU A 21 1.497 1.898 10.988 1.00 0.00 O ATOM 258 CB LEU A 21 1.251 2.464 14.221 1.00 0.00 C ATOM 259 CG LEU A 21 1.077 1.110 14.940 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.415 0.395 15.108 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.406 1.296 16.295 1.00 0.00 C ATOM 0 H LEU A 21 -1.207 2.695 14.350 1.00 0.00 H new ATOM 0 HA LEU A 21 0.554 3.633 12.542 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.297 2.575 13.933 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.028 3.265 14.926 1.00 0.00 H new ATOM 0 HG LEU A 21 0.435 0.489 14.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.258 -0.556 15.618 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.856 0.213 14.128 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.088 1.017 15.698 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.295 0.327 16.782 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.019 1.947 16.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.576 1.747 16.156 1.00 0.00 H new ATOM 273 N HIS A 22 0.217 0.390 12.085 1.00 0.00 N ATOM 274 CA HIS A 22 0.468 -0.713 11.155 1.00 0.00 C ATOM 275 C HIS A 22 0.118 -0.294 9.716 1.00 0.00 C ATOM 276 O HIS A 22 0.986 -0.346 8.843 1.00 0.00 O ATOM 277 CB HIS A 22 -0.326 -1.955 11.577 1.00 0.00 C ATOM 278 CG HIS A 22 0.183 -3.219 10.953 1.00 0.00 C ATOM 279 ND1 HIS A 22 1.125 -4.028 11.554 1.00 0.00 N ATOM 280 CD2 HIS A 22 -0.114 -3.808 9.769 1.00 0.00 C ATOM 281 CE1 HIS A 22 1.385 -5.059 10.769 1.00 0.00 C ATOM 282 NE2 HIS A 22 0.645 -4.949 9.681 1.00 0.00 N ATOM 0 H HIS A 22 -0.395 0.145 12.863 1.00 0.00 H new ATOM 0 HA HIS A 22 1.529 -0.962 11.184 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.288 -2.052 12.662 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.373 -1.819 11.306 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.816 -3.447 9.032 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.083 -5.855 10.981 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.638 -5.606 8.901 1.00 0.00 H new ATOM 291 N LEU A 23 -1.132 0.100 9.475 1.00 0.00 N ATOM 292 CA LEU A 23 -1.585 0.493 8.141 1.00 0.00 C ATOM 293 C LEU A 23 -0.633 1.500 7.488 1.00 0.00 C ATOM 294 O LEU A 23 -0.140 1.283 6.384 1.00 0.00 O ATOM 295 CB LEU A 23 -2.993 1.089 8.230 1.00 0.00 C ATOM 296 CG LEU A 23 -4.081 0.107 8.713 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.851 -0.488 7.538 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.474 -1.003 9.562 1.00 0.00 C ATOM 0 H LEU A 23 -1.854 0.156 10.193 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.599 -0.400 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.969 1.944 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.275 1.468 7.248 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.782 0.671 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.610 -1.176 7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.331 0.312 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.162 -1.027 6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.261 -1.682 9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.742 -1.554 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.984 -0.568 10.433 1.00 0.00 H new ATOM 310 N VAL A 24 -0.387 2.611 8.188 1.00 0.00 N ATOM 311 CA VAL A 24 0.490 3.650 7.688 1.00 0.00 C ATOM 312 C VAL A 24 1.857 3.063 7.372 1.00 0.00 C ATOM 313 O VAL A 24 2.417 3.322 6.308 1.00 0.00 O ATOM 314 CB VAL A 24 0.606 4.760 8.729 1.00 0.00 C ATOM 315 CG1 VAL A 24 1.921 5.508 8.531 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.560 5.732 8.568 1.00 0.00 C ATOM 0 H VAL A 24 -0.789 2.806 9.105 1.00 0.00 H new ATOM 0 HA VAL A 24 0.077 4.070 6.771 1.00 0.00 H new ATOM 0 HB VAL A 24 0.582 4.325 9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.004 6.301 9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.755 4.815 8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.945 5.943 7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.478 6.525 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.536 6.167 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.500 5.199 8.709 1.00 0.00 H new ATOM 326 N ASP A 25 2.396 2.267 8.299 1.00 0.00 N ATOM 327 CA ASP A 25 3.694 1.647 8.115 1.00 0.00 C ATOM 328 C ASP A 25 3.818 1.128 6.690 1.00 0.00 C ATOM 329 O ASP A 25 4.851 1.320 6.047 1.00 0.00 O ATOM 330 CB ASP A 25 3.861 0.514 9.122 1.00 0.00 C ATOM 331 CG ASP A 25 5.297 0.007 9.136 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.088 0.566 9.927 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.577 -0.929 8.355 1.00 0.00 O ATOM 0 H ASP A 25 1.945 2.041 9.185 1.00 0.00 H new ATOM 0 HA ASP A 25 4.482 2.382 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.584 0.863 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.185 -0.303 8.871 1.00 0.00 H new ATOM 338 N LEU A 26 2.768 0.471 6.199 1.00 0.00 N ATOM 339 CA LEU A 26 2.759 -0.091 4.849 1.00 0.00 C ATOM 340 C LEU A 26 2.941 0.986 3.778 1.00 0.00 C ATOM 341 O LEU A 26 3.827 0.897 2.931 1.00 0.00 O ATOM 342 CB LEU A 26 1.446 -0.845 4.615 1.00 0.00 C ATOM 343 CG LEU A 26 1.169 -1.990 5.609 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.950 -3.315 4.884 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.306 -2.124 6.616 1.00 0.00 C ATOM 0 H LEU A 26 1.906 0.314 6.721 1.00 0.00 H new ATOM 0 HA LEU A 26 3.602 -0.778 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.622 -0.134 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.454 -1.254 3.605 1.00 0.00 H new ATOM 0 HG LEU A 26 0.254 -1.741 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.757 -4.101 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.096 -3.226 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.840 -3.566 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.087 -2.939 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.236 -2.336 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.409 -1.193 7.174 1.00 0.00 H new ATOM 357 N ALA A 27 2.083 2.009 3.826 1.00 0.00 N ATOM 358 CA ALA A 27 2.135 3.096 2.870 1.00 0.00 C ATOM 359 C ALA A 27 3.494 3.778 2.940 1.00 0.00 C ATOM 360 O ALA A 27 4.132 4.002 1.914 1.00 0.00 O ATOM 361 CB ALA A 27 1.016 4.090 3.168 1.00 0.00 C ATOM 0 H ALA A 27 1.344 2.098 4.524 1.00 0.00 H new ATOM 0 HA ALA A 27 1.997 2.706 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.055 4.908 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.052 3.586 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.140 4.487 4.176 1.00 0.00 H new ATOM 367 N ARG A 28 3.936 4.109 4.155 1.00 0.00 N ATOM 368 CA ARG A 28 5.214 4.764 4.353 1.00 0.00 C ATOM 369 C ARG A 28 6.342 3.825 3.952 1.00 0.00 C ATOM 370 O ARG A 28 7.434 4.272 3.610 1.00 0.00 O ATOM 371 CB ARG A 28 5.350 5.180 5.815 1.00 0.00 C ATOM 372 CG ARG A 28 4.797 6.590 5.996 1.00 0.00 C ATOM 373 CD ARG A 28 5.529 7.280 7.144 1.00 0.00 C ATOM 374 NE ARG A 28 6.781 7.879 6.684 1.00 0.00 N ATOM 375 CZ ARG A 28 7.704 8.369 7.523 1.00 0.00 C ATOM 376 NH1 ARG A 28 7.499 8.319 8.847 1.00 0.00 N ATOM 377 NH2 ARG A 28 8.832 8.907 7.040 1.00 0.00 N ATOM 0 H ARG A 28 3.419 3.930 5.016 1.00 0.00 H new ATOM 0 HA ARG A 28 5.271 5.656 3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.811 4.481 6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.397 5.147 6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.921 7.161 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.728 6.549 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.890 8.051 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.736 6.558 7.934 1.00 0.00 H new ATOM 0 HE ARG A 28 6.960 7.926 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.641 7.908 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.201 8.692 9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.989 8.944 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.534 9.280 7.679 1.00 0.00 H new ATOM 391 N PHE A 29 6.075 2.517 3.996 1.00 0.00 N ATOM 392 CA PHE A 29 7.068 1.524 3.637 1.00 0.00 C ATOM 393 C PHE A 29 7.266 1.513 2.128 1.00 0.00 C ATOM 394 O PHE A 29 8.388 1.366 1.648 1.00 0.00 O ATOM 395 CB PHE A 29 6.617 0.154 4.133 1.00 0.00 C ATOM 396 CG PHE A 29 7.536 -0.970 3.720 1.00 0.00 C ATOM 397 CD1 PHE A 29 7.688 -1.289 2.366 1.00 0.00 C ATOM 398 CD2 PHE A 29 8.240 -1.692 4.692 1.00 0.00 C ATOM 399 CE1 PHE A 29 8.542 -2.329 1.981 1.00 0.00 C ATOM 400 CE2 PHE A 29 9.095 -2.733 4.308 1.00 0.00 C ATOM 401 CZ PHE A 29 9.245 -3.051 2.953 1.00 0.00 C ATOM 0 H PHE A 29 5.175 2.129 4.278 1.00 0.00 H new ATOM 0 HA PHE A 29 8.021 1.771 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.548 0.175 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.615 -0.049 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.145 -0.732 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.124 -1.446 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.659 -2.574 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.638 -3.290 5.057 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.904 -3.854 2.657 1.00 0.00 H new ATOM 411 N ALA A 30 6.172 1.670 1.380 1.00 0.00 N ATOM 412 CA ALA A 30 6.229 1.676 -0.068 1.00 0.00 C ATOM 413 C ALA A 30 7.134 2.805 -0.542 1.00 0.00 C ATOM 414 O ALA A 30 8.190 2.556 -1.119 1.00 0.00 O ATOM 415 CB ALA A 30 4.820 1.839 -0.631 1.00 0.00 C ATOM 0 H ALA A 30 5.235 1.795 1.764 1.00 0.00 H new ATOM 0 HA ALA A 30 6.641 0.732 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.862 1.844 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.196 1.011 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.395 2.779 -0.280 1.00 0.00 H new ATOM 421 N VAL A 31 6.716 4.050 -0.299 1.00 0.00 N ATOM 422 CA VAL A 31 7.488 5.208 -0.701 1.00 0.00 C ATOM 423 C VAL A 31 8.945 5.018 -0.304 1.00 0.00 C ATOM 424 O VAL A 31 9.847 5.432 -1.030 1.00 0.00 O ATOM 425 CB VAL A 31 6.907 6.458 -0.046 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.875 7.623 -0.226 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.571 6.801 -0.700 1.00 0.00 C ATOM 0 H VAL A 31 5.842 4.273 0.177 1.00 0.00 H new ATOM 0 HA VAL A 31 7.439 5.326 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 31 6.754 6.273 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.460 8.516 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.829 7.379 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.028 7.808 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.156 7.694 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.723 6.986 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.879 5.969 -0.572 1.00 0.00 H new ATOM 437 N THR A 32 9.174 4.392 0.851 1.00 0.00 N ATOM 438 CA THR A 32 10.520 4.152 1.333 1.00 0.00 C ATOM 439 C THR A 32 11.212 3.126 0.449 1.00 0.00 C ATOM 440 O THR A 32 12.103 3.468 -0.326 1.00 0.00 O ATOM 441 CB THR A 32 10.461 3.668 2.779 1.00 0.00 C ATOM 442 OG1 THR A 32 10.002 4.714 3.607 1.00 0.00 O ATOM 443 CG2 THR A 32 11.856 3.240 3.230 1.00 0.00 C ATOM 0 H THR A 32 8.438 4.044 1.466 1.00 0.00 H new ATOM 0 HA THR A 32 11.094 5.078 1.295 1.00 0.00 H new ATOM 0 HB THR A 32 9.779 2.821 2.850 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.028 4.791 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.814 2.894 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.213 2.432 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.538 4.088 3.158 1.00 0.00 H new ATOM 451 N GLU A 33 10.801 1.861 0.567 1.00 0.00 N ATOM 452 CA GLU A 33 11.382 0.794 -0.221 1.00 0.00 C ATOM 453 C GLU A 33 11.575 1.256 -1.659 1.00 0.00 C ATOM 454 O GLU A 33 12.662 1.101 -2.215 1.00 0.00 O ATOM 455 CB GLU A 33 10.473 -0.431 -0.165 1.00 0.00 C ATOM 456 CG GLU A 33 11.132 -1.588 -0.909 1.00 0.00 C ATOM 457 CD GLU A 33 11.573 -2.676 0.058 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.530 -2.408 0.816 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.946 -3.757 0.023 1.00 0.00 O ATOM 0 H GLU A 33 10.065 1.559 1.206 1.00 0.00 H new ATOM 0 HA GLU A 33 12.357 0.528 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.286 -0.711 0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.506 -0.200 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.433 -2.003 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.993 -1.222 -1.468 1.00 0.00 H new ATOM 466 N HIS A 34 10.518 1.820 -2.253 1.00 0.00 N ATOM 467 CA HIS A 34 10.560 2.323 -3.626 1.00 0.00 C ATOM 468 C HIS A 34 11.644 3.408 -3.768 1.00 0.00 C ATOM 469 O HIS A 34 12.471 3.324 -4.675 1.00 0.00 O ATOM 470 CB HIS A 34 9.185 2.860 -4.040 1.00 0.00 C ATOM 471 CG HIS A 34 9.076 3.129 -5.511 1.00 0.00 C ATOM 472 ND1 HIS A 34 9.952 3.690 -6.379 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 7.961 2.799 -6.253 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.354 3.687 -7.616 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.156 3.143 -7.515 1.00 0.00 N flip ATOM 0 H HIS A 34 9.614 1.939 -1.796 1.00 0.00 H new ATOM 0 HA HIS A 34 10.817 1.500 -4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.419 2.141 -3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.981 3.780 -3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.068 2.332 -5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.794 4.069 -8.525 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.494 3.011 -8.279 1.00 0.00 H new ATOM 484 N ASN A 35 11.628 4.416 -2.892 1.00 0.00 N ATOM 485 CA ASN A 35 12.595 5.493 -2.952 1.00 0.00 C ATOM 486 C ASN A 35 13.993 4.950 -2.686 1.00 0.00 C ATOM 487 O ASN A 35 14.986 5.615 -2.972 1.00 0.00 O ATOM 488 CB ASN A 35 12.228 6.560 -1.925 1.00 0.00 C ATOM 489 CG ASN A 35 11.030 7.374 -2.393 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.170 6.861 -3.105 1.00 0.00 O ATOM 491 ND2 ASN A 35 10.973 8.645 -1.989 1.00 0.00 N ATOM 0 H ASN A 35 10.950 4.500 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 35 12.584 5.941 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.001 6.088 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.080 7.220 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.191 9.235 -2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.712 9.026 -1.398 1.00 0.00 H new ATOM 498 N LYS A 36 14.066 3.735 -2.138 1.00 0.00 N ATOM 499 CA LYS A 36 15.338 3.109 -1.839 1.00 0.00 C ATOM 500 C LYS A 36 16.023 2.685 -3.130 1.00 0.00 C ATOM 501 O LYS A 36 17.216 2.922 -3.311 1.00 0.00 O ATOM 502 CB LYS A 36 15.111 1.906 -0.928 1.00 0.00 C ATOM 503 CG LYS A 36 16.308 1.739 0.003 1.00 0.00 C ATOM 504 CD LYS A 36 15.837 1.182 1.343 1.00 0.00 C ATOM 505 CE LYS A 36 16.402 -0.222 1.538 1.00 0.00 C ATOM 506 NZ LYS A 36 15.451 -1.243 1.073 1.00 0.00 N ATOM 0 H LYS A 36 13.252 3.171 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 36 15.984 3.821 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.200 2.044 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.973 1.005 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.040 1.067 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.804 2.698 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.163 1.833 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.748 1.155 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.341 -0.319 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.628 -0.384 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.859 -2.189 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.565 -1.163 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.256 -1.100 0.062 1.00 0.00 H new ATOM 520 N LYS A 37 15.265 2.054 -4.029 1.00 0.00 N ATOM 521 CA LYS A 37 15.801 1.601 -5.297 1.00 0.00 C ATOM 522 C LYS A 37 15.658 2.699 -6.342 1.00 0.00 C ATOM 523 O LYS A 37 16.633 3.075 -6.989 1.00 0.00 O ATOM 524 CB LYS A 37 15.067 0.337 -5.736 1.00 0.00 C ATOM 525 CG LYS A 37 15.955 -0.878 -5.489 1.00 0.00 C ATOM 526 CD LYS A 37 15.133 -1.986 -4.839 1.00 0.00 C ATOM 527 CE LYS A 37 15.874 -3.314 -4.968 1.00 0.00 C ATOM 528 NZ LYS A 37 15.713 -4.129 -3.755 1.00 0.00 N ATOM 0 H LYS A 37 14.275 1.848 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 37 16.861 1.370 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.132 0.236 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.808 0.403 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.379 -1.229 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.791 -0.606 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.959 -1.755 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.155 -2.055 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.497 -3.862 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.933 -3.127 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.226 -5.026 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.095 -3.613 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.703 -4.325 -3.600 1.00 0.00 H new ATOM 542 N ALA A 38 14.437 3.212 -6.505 1.00 0.00 N ATOM 543 CA ALA A 38 14.170 4.261 -7.469 1.00 0.00 C ATOM 544 C ALA A 38 14.902 5.532 -7.063 1.00 0.00 C ATOM 545 O ALA A 38 14.754 6.569 -7.705 1.00 0.00 O ATOM 546 CB ALA A 38 12.666 4.506 -7.551 1.00 0.00 C ATOM 0 H ALA A 38 13.619 2.911 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 38 14.529 3.956 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.465 5.295 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.165 3.590 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.293 4.809 -6.573 1.00 0.00 H new ATOM 552 N ASN A 39 15.695 5.450 -5.992 1.00 0.00 N ATOM 553 CA ASN A 39 16.444 6.591 -5.508 1.00 0.00 C ATOM 554 C ASN A 39 15.495 7.736 -5.184 1.00 0.00 C ATOM 555 O ASN A 39 15.892 8.899 -5.193 1.00 0.00 O ATOM 556 CB ASN A 39 17.461 7.015 -6.564 1.00 0.00 C ATOM 557 CG ASN A 39 18.820 6.385 -6.294 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.039 5.218 -6.612 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.734 7.160 -5.707 1.00 0.00 N ATOM 0 H ASN A 39 15.829 4.598 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 39 16.976 6.319 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.109 6.720 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.554 8.101 -6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.662 6.789 -5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.504 8.123 -5.462 1.00 0.00 H new ATOM 566 N SER A 40 14.235 7.402 -4.897 1.00 0.00 N ATOM 567 CA SER A 40 13.236 8.400 -4.571 1.00 0.00 C ATOM 568 C SER A 40 12.802 9.129 -5.835 1.00 0.00 C ATOM 569 O SER A 40 13.570 9.226 -6.792 1.00 0.00 O ATOM 570 CB SER A 40 13.811 9.380 -3.552 1.00 0.00 C ATOM 571 OG SER A 40 14.608 8.679 -2.624 1.00 0.00 O ATOM 0 H SER A 40 13.890 6.442 -4.886 1.00 0.00 H new ATOM 0 HA SER A 40 12.361 7.916 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.406 10.140 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.004 9.899 -3.035 1.00 0.00 H new ATOM 0 HG SER A 40 14.979 9.308 -1.970 1.00 0.00 H new ATOM 577 N LEU A 41 11.571 9.641 -5.835 1.00 0.00 N ATOM 578 CA LEU A 41 11.023 10.357 -6.988 1.00 0.00 C ATOM 579 C LEU A 41 9.840 11.247 -6.598 1.00 0.00 C ATOM 580 O LEU A 41 9.306 11.988 -7.424 1.00 0.00 O ATOM 581 CB LEU A 41 10.589 9.351 -8.057 1.00 0.00 C ATOM 582 CG LEU A 41 9.612 8.262 -7.566 1.00 0.00 C ATOM 583 CD1 LEU A 41 10.316 7.253 -6.662 1.00 0.00 C ATOM 584 CD2 LEU A 41 8.426 8.882 -6.838 1.00 0.00 C ATOM 0 H LEU A 41 10.931 9.573 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 41 11.805 11.005 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.122 9.894 -8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.478 8.866 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 41 9.243 7.734 -8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.601 6.499 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.123 6.771 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.727 7.767 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.753 8.093 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.783 9.446 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.893 9.551 -7.514 1.00 0.00 H new ATOM 596 N LEU A 42 9.436 11.161 -5.331 1.00 0.00 N ATOM 597 CA LEU A 42 8.309 11.936 -4.816 1.00 0.00 C ATOM 598 C LEU A 42 8.552 12.418 -3.383 1.00 0.00 C ATOM 599 O LEU A 42 9.618 12.201 -2.812 1.00 0.00 O ATOM 600 CB LEU A 42 7.034 11.091 -4.873 1.00 0.00 C ATOM 601 CG LEU A 42 7.085 9.786 -4.050 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.707 10.034 -2.592 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.175 8.725 -4.656 1.00 0.00 C ATOM 0 H LEU A 42 9.877 10.557 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 42 8.198 12.819 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.199 11.695 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.827 10.840 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 42 8.112 9.422 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.753 9.095 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.403 10.748 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.695 10.436 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.229 7.815 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.148 9.091 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.496 8.509 -5.675 1.00 0.00 H new ATOM 615 N GLU A 43 7.545 13.084 -2.811 1.00 0.00 N ATOM 616 CA GLU A 43 7.643 13.599 -1.459 1.00 0.00 C ATOM 617 C GLU A 43 6.362 13.298 -0.695 1.00 0.00 C ATOM 618 O GLU A 43 5.393 14.049 -0.780 1.00 0.00 O ATOM 619 CB GLU A 43 7.905 15.101 -1.507 1.00 0.00 C ATOM 620 CG GLU A 43 8.560 15.546 -0.203 1.00 0.00 C ATOM 621 CD GLU A 43 10.061 15.724 -0.383 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.439 16.695 -1.074 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.802 14.885 0.173 1.00 0.00 O ATOM 0 H GLU A 43 6.655 13.275 -3.271 1.00 0.00 H new ATOM 0 HA GLU A 43 8.471 13.115 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.551 15.341 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.969 15.639 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.116 16.484 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.368 14.808 0.576 1.00 0.00 H new ATOM 630 N PHE A 44 6.361 12.194 0.056 1.00 0.00 N ATOM 631 CA PHE A 44 5.201 11.801 0.831 1.00 0.00 C ATOM 632 C PHE A 44 4.669 12.998 1.607 1.00 0.00 C ATOM 633 O PHE A 44 5.410 13.645 2.343 1.00 0.00 O ATOM 634 CB PHE A 44 5.586 10.669 1.780 1.00 0.00 C ATOM 635 CG PHE A 44 4.471 10.258 2.711 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.200 9.971 2.198 1.00 0.00 C ATOM 637 CD2 PHE A 44 4.708 10.162 4.088 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.167 9.587 3.062 1.00 0.00 C ATOM 639 CE2 PHE A 44 3.675 9.779 4.951 1.00 0.00 C ATOM 640 CZ PHE A 44 2.404 9.492 4.438 1.00 0.00 C ATOM 0 H PHE A 44 7.156 11.561 0.138 1.00 0.00 H new ATOM 0 HA PHE A 44 4.415 11.448 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.897 9.804 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.447 10.979 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.016 10.046 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.688 10.384 4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.187 9.364 2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.858 9.705 6.013 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.607 9.197 5.104 1.00 0.00 H new ATOM 650 N GLU A 45 3.377 13.291 1.440 1.00 0.00 N ATOM 651 CA GLU A 45 2.754 14.406 2.125 1.00 0.00 C ATOM 652 C GLU A 45 1.983 13.905 3.338 1.00 0.00 C ATOM 653 O GLU A 45 2.172 14.401 4.447 1.00 0.00 O ATOM 654 CB GLU A 45 1.826 15.139 1.161 1.00 0.00 C ATOM 655 CG GLU A 45 0.891 16.052 1.950 1.00 0.00 C ATOM 656 CD GLU A 45 0.943 17.476 1.414 1.00 0.00 C ATOM 657 OE1 GLU A 45 0.289 17.716 0.376 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.635 18.298 2.053 1.00 0.00 O ATOM 0 H GLU A 45 2.748 12.765 0.833 1.00 0.00 H new ATOM 0 HA GLU A 45 3.522 15.099 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.410 15.725 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.246 14.421 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.129 15.674 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.172 16.045 3.003 1.00 0.00 H new ATOM 665 N LYS A 46 1.112 12.916 3.126 1.00 0.00 N ATOM 666 CA LYS A 46 0.320 12.353 4.200 1.00 0.00 C ATOM 667 C LYS A 46 -0.542 11.216 3.667 1.00 0.00 C ATOM 668 O LYS A 46 -0.421 10.837 2.502 1.00 0.00 O ATOM 669 CB LYS A 46 -0.549 13.445 4.817 1.00 0.00 C ATOM 670 CG LYS A 46 -1.560 13.935 3.784 1.00 0.00 C ATOM 671 CD LYS A 46 -2.474 14.978 4.420 1.00 0.00 C ATOM 672 CE LYS A 46 -3.892 14.809 3.883 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.886 14.968 4.956 1.00 0.00 N ATOM 0 H LYS A 46 0.943 12.493 2.213 1.00 0.00 H new ATOM 0 HA LYS A 46 0.979 11.952 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.068 13.059 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.074 14.274 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.041 14.365 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.150 13.098 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.469 14.868 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.108 15.981 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.078 15.543 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.997 13.824 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.842 14.848 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.721 14.251 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.799 15.917 5.372 1.00 0.00 H new ATOM 687 N LEU A 47 -1.409 10.675 4.522 1.00 0.00 N ATOM 688 CA LEU A 47 -2.289 9.568 4.146 1.00 0.00 C ATOM 689 C LEU A 47 -3.667 10.060 3.698 1.00 0.00 C ATOM 690 O LEU A 47 -4.079 11.172 4.017 1.00 0.00 O ATOM 691 CB LEU A 47 -2.438 8.606 5.328 1.00 0.00 C ATOM 692 CG LEU A 47 -2.026 7.148 5.033 1.00 0.00 C ATOM 693 CD1 LEU A 47 -2.999 6.483 4.063 1.00 0.00 C ATOM 694 CD2 LEU A 47 -0.607 7.085 4.481 1.00 0.00 C ATOM 0 H LEU A 47 -1.521 10.988 5.486 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.834 9.052 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.837 8.977 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.477 8.615 5.657 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.057 6.602 5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.682 5.457 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.999 6.480 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.012 7.036 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.340 6.047 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.551 7.659 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.086 7.504 5.211 1.00 0.00 H new ATOM 706 N VAL A 48 -4.374 9.213 2.945 1.00 0.00 N ATOM 707 CA VAL A 48 -5.692 9.549 2.447 1.00 0.00 C ATOM 708 C VAL A 48 -6.688 8.473 2.856 1.00 0.00 C ATOM 709 O VAL A 48 -7.729 8.776 3.434 1.00 0.00 O ATOM 710 CB VAL A 48 -5.640 9.689 0.928 1.00 0.00 C ATOM 711 CG1 VAL A 48 -6.772 10.600 0.462 1.00 0.00 C ATOM 712 CG2 VAL A 48 -4.300 10.294 0.520 1.00 0.00 C ATOM 0 H VAL A 48 -4.045 8.287 2.671 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.016 10.497 2.875 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.751 8.707 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.735 10.700 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.730 10.169 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.661 11.582 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.261 10.395 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.189 11.276 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.491 9.644 0.853 1.00 0.00 H new ATOM 722 N SER A 49 -6.365 7.214 2.555 1.00 0.00 N ATOM 723 CA SER A 49 -7.230 6.102 2.893 1.00 0.00 C ATOM 724 C SER A 49 -6.443 4.799 2.838 1.00 0.00 C ATOM 725 O SER A 49 -5.276 4.792 2.453 1.00 0.00 O ATOM 726 CB SER A 49 -8.409 6.063 1.926 1.00 0.00 C ATOM 727 OG SER A 49 -9.467 6.839 2.444 1.00 0.00 O ATOM 0 H SER A 49 -5.505 6.947 2.076 1.00 0.00 H new ATOM 0 HA SER A 49 -7.612 6.229 3.906 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.107 6.445 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.737 5.034 1.777 1.00 0.00 H new ATOM 0 HG SER A 49 -9.104 7.638 2.879 1.00 0.00 H new ATOM 733 N VAL A 50 -7.089 3.696 3.223 1.00 0.00 N ATOM 734 CA VAL A 50 -6.451 2.395 3.215 1.00 0.00 C ATOM 735 C VAL A 50 -7.509 1.301 3.213 1.00 0.00 C ATOM 736 O VAL A 50 -8.576 1.467 3.800 1.00 0.00 O ATOM 737 CB VAL A 50 -5.542 2.266 4.434 1.00 0.00 C ATOM 738 CG1 VAL A 50 -6.325 2.634 5.693 1.00 0.00 C ATOM 739 CG2 VAL A 50 -5.044 0.829 4.549 1.00 0.00 C ATOM 0 H VAL A 50 -8.057 3.687 3.544 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.846 2.289 2.315 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.691 2.938 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.677 2.542 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.682 3.661 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.176 1.962 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.395 0.737 5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.895 0.157 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.486 0.564 3.651 1.00 0.00 H new ATOM 749 N LYS A 51 -7.212 0.181 2.552 1.00 0.00 N ATOM 750 CA LYS A 51 -8.138 -0.931 2.479 1.00 0.00 C ATOM 751 C LYS A 51 -7.394 -2.240 2.695 1.00 0.00 C ATOM 752 O LYS A 51 -6.167 -2.279 2.636 1.00 0.00 O ATOM 753 CB LYS A 51 -8.834 -0.924 1.120 1.00 0.00 C ATOM 754 CG LYS A 51 -9.870 0.196 1.086 1.00 0.00 C ATOM 755 CD LYS A 51 -11.038 -0.216 0.196 1.00 0.00 C ATOM 756 CE LYS A 51 -10.755 0.209 -1.243 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.596 1.668 -1.341 1.00 0.00 N ATOM 0 H LYS A 51 -6.332 0.028 2.060 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.891 -0.832 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.102 -0.781 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.316 -1.885 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.225 0.408 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.417 1.113 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.184 -1.295 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.959 0.247 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.851 -0.284 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.571 -0.116 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.969 1.997 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.119 2.127 -0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.588 1.913 -1.270 1.00 0.00 H new ATOM 771 N GLN A 52 -8.141 -3.317 2.948 1.00 0.00 N ATOM 772 CA GLN A 52 -7.551 -4.622 3.173 1.00 0.00 C ATOM 773 C GLN A 52 -8.295 -5.673 2.362 1.00 0.00 C ATOM 774 O GLN A 52 -9.478 -5.514 2.071 1.00 0.00 O ATOM 775 CB GLN A 52 -7.603 -4.951 4.662 1.00 0.00 C ATOM 776 CG GLN A 52 -9.056 -4.983 5.127 1.00 0.00 C ATOM 777 CD GLN A 52 -9.168 -5.588 6.519 1.00 0.00 C ATOM 778 OE1 GLN A 52 -8.103 -6.256 6.968 1.00 0.00 O flip ATOM 779 NE2 GLN A 52 -10.198 -5.455 7.174 1.00 0.00 N flip ATOM 0 H GLN A 52 -9.160 -3.302 3.001 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.510 -4.615 2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.129 -5.915 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.045 -4.206 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.463 -3.972 5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.654 -5.564 4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.985 -4.935 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.266 -5.865 8.106 1.00 0.00 H new ATOM 788 N GLN A 53 -7.597 -6.751 1.997 1.00 0.00 N ATOM 789 CA GLN A 53 -8.193 -7.820 1.221 1.00 0.00 C ATOM 790 C GLN A 53 -7.765 -9.168 1.787 1.00 0.00 C ATOM 791 O GLN A 53 -6.911 -9.231 2.667 1.00 0.00 O ATOM 792 CB GLN A 53 -7.769 -7.687 -0.238 1.00 0.00 C ATOM 793 CG GLN A 53 -8.868 -8.237 -1.141 1.00 0.00 C ATOM 794 CD GLN A 53 -8.722 -7.705 -2.560 1.00 0.00 C ATOM 795 OE1 GLN A 53 -9.717 -7.438 -3.230 1.00 0.00 O ATOM 796 NE2 GLN A 53 -7.477 -7.552 -3.016 1.00 0.00 N ATOM 0 H GLN A 53 -6.615 -6.899 2.232 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.280 -7.753 1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.577 -6.641 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.839 -8.229 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.825 -9.326 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.844 -7.960 -0.743 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.683 -7.788 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.319 -7.199 -3.960 1.00 0.00 H new ATOM 805 N VAL A 54 -8.363 -10.247 1.276 1.00 0.00 N ATOM 806 CA VAL A 54 -8.042 -11.585 1.728 1.00 0.00 C ATOM 807 C VAL A 54 -7.864 -12.505 0.530 1.00 0.00 C ATOM 808 O VAL A 54 -8.770 -12.645 -0.289 1.00 0.00 O ATOM 809 CB VAL A 54 -9.155 -12.093 2.640 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.436 -12.270 1.828 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.746 -13.434 3.244 1.00 0.00 C ATOM 0 H VAL A 54 -9.074 -10.210 0.546 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.108 -11.569 2.290 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.328 -11.372 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.232 -12.633 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.728 -11.313 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.264 -12.991 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.541 -13.797 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.574 -14.155 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.831 -13.308 3.823 1.00 0.00 H new ATOM 821 N VAL A 55 -6.691 -13.136 0.428 1.00 0.00 N ATOM 822 CA VAL A 55 -6.399 -14.038 -0.667 1.00 0.00 C ATOM 823 C VAL A 55 -5.326 -15.031 -0.244 1.00 0.00 C ATOM 824 O VAL A 55 -5.521 -15.795 0.699 1.00 0.00 O ATOM 825 CB VAL A 55 -5.944 -13.233 -1.881 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.000 -12.187 -2.224 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.624 -12.538 -1.563 1.00 0.00 C ATOM 0 H VAL A 55 -5.930 -13.032 1.099 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.297 -14.596 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.808 -13.902 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.675 -11.612 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.944 -12.683 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.137 -11.517 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.298 -11.963 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.761 -11.869 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.869 -13.285 -1.319 1.00 0.00 H new ATOM 837 N ALA A 56 -4.190 -15.019 -0.945 1.00 0.00 N ATOM 838 CA ALA A 56 -3.094 -15.917 -0.641 1.00 0.00 C ATOM 839 C ALA A 56 -2.312 -15.388 0.553 1.00 0.00 C ATOM 840 O ALA A 56 -1.180 -15.806 0.792 1.00 0.00 O ATOM 841 CB ALA A 56 -2.192 -16.050 -1.863 1.00 0.00 C ATOM 0 H ALA A 56 -4.013 -14.391 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.485 -16.902 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.367 -16.725 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.767 -16.449 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.795 -15.071 -2.131 1.00 0.00 H new ATOM 847 N GLY A 57 -2.916 -14.465 1.304 1.00 0.00 N ATOM 848 CA GLY A 57 -2.271 -13.886 2.465 1.00 0.00 C ATOM 849 C GLY A 57 -3.072 -12.697 2.976 1.00 0.00 C ATOM 850 O GLY A 57 -4.281 -12.793 3.170 1.00 0.00 O ATOM 0 H GLY A 57 -3.854 -14.107 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.179 -14.636 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.260 -13.569 2.208 1.00 0.00 H new ATOM 854 N THR A 58 -2.391 -11.568 3.194 1.00 0.00 N ATOM 855 CA THR A 58 -3.041 -10.369 3.678 1.00 0.00 C ATOM 856 C THR A 58 -2.683 -9.188 2.787 1.00 0.00 C ATOM 857 O THR A 58 -1.547 -8.712 2.811 1.00 0.00 O ATOM 858 CB THR A 58 -2.615 -10.107 5.121 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.988 -11.202 5.926 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.298 -8.843 5.632 1.00 0.00 C ATOM 0 H THR A 58 -1.388 -11.470 3.039 1.00 0.00 H new ATOM 0 HA THR A 58 -4.122 -10.503 3.650 1.00 0.00 H new ATOM 0 HB THR A 58 -1.534 -9.977 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.714 -11.036 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.994 -8.656 6.662 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.009 -7.996 5.009 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.380 -8.972 5.591 1.00 0.00 H new ATOM 868 N LEU A 59 -3.652 -8.718 2.004 1.00 0.00 N ATOM 869 CA LEU A 59 -3.443 -7.595 1.090 1.00 0.00 C ATOM 870 C LEU A 59 -3.974 -6.281 1.667 1.00 0.00 C ATOM 871 O LEU A 59 -5.013 -6.247 2.321 1.00 0.00 O ATOM 872 CB LEU A 59 -4.124 -7.889 -0.250 1.00 0.00 C ATOM 873 CG LEU A 59 -3.485 -7.191 -1.468 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.813 -5.701 -1.488 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.974 -7.397 -1.485 1.00 0.00 C ATOM 0 H LEU A 59 -4.597 -9.101 1.984 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.369 -7.479 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.112 -8.966 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.170 -7.588 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.908 -7.646 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.348 -5.238 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.894 -5.567 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.432 -5.232 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.548 -6.895 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.540 -6.981 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.753 -8.463 -1.537 1.00 0.00 H new ATOM 887 N TYR A 60 -3.239 -5.193 1.419 1.00 0.00 N ATOM 888 CA TYR A 60 -3.621 -3.886 1.911 1.00 0.00 C ATOM 889 C TYR A 60 -3.250 -2.821 0.888 1.00 0.00 C ATOM 890 O TYR A 60 -2.073 -2.529 0.689 1.00 0.00 O ATOM 891 CB TYR A 60 -2.924 -3.621 3.243 1.00 0.00 C ATOM 892 CG TYR A 60 -3.697 -4.127 4.437 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.880 -5.503 4.621 1.00 0.00 C ATOM 894 CD2 TYR A 60 -4.229 -3.221 5.361 1.00 0.00 C ATOM 895 CE1 TYR A 60 -4.596 -5.972 5.728 1.00 0.00 C ATOM 896 CE2 TYR A 60 -4.946 -3.690 6.468 1.00 0.00 C ATOM 897 CZ TYR A 60 -5.130 -5.066 6.651 1.00 0.00 C ATOM 898 OH TYR A 60 -5.828 -5.523 7.731 1.00 0.00 O ATOM 0 H TYR A 60 -2.375 -5.202 0.877 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.699 -3.853 2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.941 -4.092 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.762 -2.549 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.468 -6.202 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.086 -2.160 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.736 -7.033 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.357 -2.991 7.181 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.777 -5.601 7.498 1.00 0.00 H new ATOM 908 N TYR A 61 -4.261 -2.239 0.238 1.00 0.00 N ATOM 909 CA TYR A 61 -4.036 -1.213 -0.761 1.00 0.00 C ATOM 910 C TYR A 61 -4.275 0.161 -0.151 1.00 0.00 C ATOM 911 O TYR A 61 -5.411 0.627 -0.086 1.00 0.00 O ATOM 912 CB TYR A 61 -4.966 -1.447 -1.947 1.00 0.00 C ATOM 913 CG TYR A 61 -6.082 -2.421 -1.655 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.694 -2.427 -0.396 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.506 -3.318 -2.644 1.00 0.00 C ATOM 916 CE1 TYR A 61 -7.730 -3.329 -0.125 1.00 0.00 C ATOM 917 CE2 TYR A 61 -7.542 -4.221 -2.372 1.00 0.00 C ATOM 918 CZ TYR A 61 -8.153 -4.226 -1.113 1.00 0.00 C ATOM 919 OH TYR A 61 -9.162 -5.105 -0.850 1.00 0.00 O ATOM 0 H TYR A 61 -5.243 -2.468 0.392 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.005 -1.259 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.397 -0.494 -2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.382 -1.818 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.367 -1.736 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.034 -3.313 -3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.203 -3.333 0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.869 -4.913 -3.134 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.346 -5.113 0.113 1.00 0.00 H new ATOM 929 N PHE A 62 -3.199 0.812 0.297 1.00 0.00 N ATOM 930 CA PHE A 62 -3.297 2.127 0.898 1.00 0.00 C ATOM 931 C PHE A 62 -3.330 3.191 -0.190 1.00 0.00 C ATOM 932 O PHE A 62 -2.909 2.943 -1.318 1.00 0.00 O ATOM 933 CB PHE A 62 -2.113 2.347 1.834 1.00 0.00 C ATOM 934 CG PHE A 62 -1.881 1.202 2.793 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.202 0.056 2.362 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.347 1.286 4.110 1.00 0.00 C ATOM 937 CE1 PHE A 62 -0.989 -1.006 3.249 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.133 0.224 4.997 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.454 -0.922 4.567 1.00 0.00 C ATOM 0 H PHE A 62 -2.250 0.441 0.251 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.218 2.199 1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.213 2.500 1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.276 3.261 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.843 -0.009 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.872 2.170 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.466 -1.890 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.492 0.289 6.013 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.289 -1.741 5.251 1.00 0.00 H new ATOM 949 N THR A 63 -3.832 4.379 0.150 1.00 0.00 N ATOM 950 CA THR A 63 -3.916 5.471 -0.798 1.00 0.00 C ATOM 951 C THR A 63 -3.299 6.726 -0.199 1.00 0.00 C ATOM 952 O THR A 63 -3.993 7.531 0.419 1.00 0.00 O ATOM 953 CB THR A 63 -5.376 5.711 -1.170 1.00 0.00 C ATOM 954 OG1 THR A 63 -5.912 4.543 -1.750 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.465 6.861 -2.169 1.00 0.00 C ATOM 0 H THR A 63 -4.186 4.602 1.080 1.00 0.00 H new ATOM 0 HA THR A 63 -3.362 5.215 -1.701 1.00 0.00 H new ATOM 0 HB THR A 63 -5.942 5.964 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.850 4.697 -1.987 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.508 7.032 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.051 7.765 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.899 6.609 -3.066 1.00 0.00 H new ATOM 963 N ILE A 64 -1.986 6.893 -0.384 1.00 0.00 N ATOM 964 CA ILE A 64 -1.279 8.047 0.133 1.00 0.00 C ATOM 965 C ILE A 64 -1.074 9.066 -0.978 1.00 0.00 C ATOM 966 O ILE A 64 -0.950 8.700 -2.145 1.00 0.00 O ATOM 967 CB ILE A 64 0.060 7.603 0.716 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.934 7.032 -0.397 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.177 6.532 1.776 1.00 0.00 C ATOM 970 CD1 ILE A 64 2.400 7.099 0.024 1.00 0.00 C ATOM 0 H ILE A 64 -1.397 6.234 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.866 8.515 0.923 1.00 0.00 H new ATOM 0 HB ILE A 64 0.561 8.458 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.650 6.000 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.783 7.595 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.779 6.215 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.802 6.939 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.677 5.676 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.026 6.691 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.678 8.137 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.544 6.517 0.934 1.00 0.00 H new ATOM 982 N GLU A 65 -1.038 10.350 -0.614 1.00 0.00 N ATOM 983 CA GLU A 65 -0.848 11.412 -1.582 1.00 0.00 C ATOM 984 C GLU A 65 0.523 12.047 -1.393 1.00 0.00 C ATOM 985 O GLU A 65 0.877 12.451 -0.288 1.00 0.00 O ATOM 986 CB GLU A 65 -1.953 12.451 -1.419 1.00 0.00 C ATOM 987 CG GLU A 65 -1.448 13.810 -1.897 1.00 0.00 C ATOM 988 CD GLU A 65 -2.526 14.873 -1.748 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.584 15.473 -0.653 1.00 0.00 O ATOM 990 OE2 GLU A 65 -3.273 15.066 -2.732 1.00 0.00 O ATOM 0 H GLU A 65 -1.139 10.671 0.349 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.898 11.002 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.832 12.156 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.259 12.512 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.567 14.097 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.141 13.742 -2.941 1.00 0.00 H new ATOM 997 N VAL A 66 1.294 12.136 -2.479 1.00 0.00 N ATOM 998 CA VAL A 66 2.619 12.721 -2.431 1.00 0.00 C ATOM 999 C VAL A 66 2.847 13.581 -3.666 1.00 0.00 C ATOM 1000 O VAL A 66 2.330 13.280 -4.739 1.00 0.00 O ATOM 1001 CB VAL A 66 3.661 11.610 -2.345 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.140 10.492 -1.447 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.932 11.057 -3.741 1.00 0.00 C ATOM 0 H VAL A 66 1.014 11.806 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 66 2.710 13.355 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 66 4.585 12.010 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.884 9.698 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.947 10.887 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.216 10.091 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.676 10.263 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.008 10.657 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.305 11.855 -4.383 1.00 0.00 H new ATOM 1013 N LYS A 67 3.626 14.655 -3.512 1.00 0.00 N ATOM 1014 CA LYS A 67 3.918 15.550 -4.613 1.00 0.00 C ATOM 1015 C LYS A 67 5.174 15.087 -5.337 1.00 0.00 C ATOM 1016 O LYS A 67 6.268 15.125 -4.778 1.00 0.00 O ATOM 1017 CB LYS A 67 4.093 16.969 -4.081 1.00 0.00 C ATOM 1018 CG LYS A 67 5.227 16.993 -3.059 1.00 0.00 C ATOM 1019 CD LYS A 67 4.722 17.595 -1.751 1.00 0.00 C ATOM 1020 CE LYS A 67 5.055 19.085 -1.715 1.00 0.00 C ATOM 1021 NZ LYS A 67 3.833 19.901 -1.757 1.00 0.00 N ATOM 0 H LYS A 67 4.063 14.919 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 67 3.090 15.541 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.314 17.652 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.167 17.313 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.597 15.982 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.063 17.578 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.645 17.450 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.182 17.088 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.618 19.313 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.695 19.338 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.088 20.909 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.310 19.698 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.236 19.674 -0.937 1.00 0.00 H new ATOM 1035 N GLU A 68 5.015 14.649 -6.588 1.00 0.00 N ATOM 1036 CA GLU A 68 6.135 14.183 -7.381 1.00 0.00 C ATOM 1037 C GLU A 68 6.653 15.311 -8.263 1.00 0.00 C ATOM 1038 O GLU A 68 5.887 15.935 -8.993 1.00 0.00 O ATOM 1039 CB GLU A 68 5.696 12.992 -8.229 1.00 0.00 C ATOM 1040 CG GLU A 68 6.702 12.772 -9.354 1.00 0.00 C ATOM 1041 CD GLU A 68 6.081 13.085 -10.708 1.00 0.00 C ATOM 1042 OE1 GLU A 68 5.483 14.178 -10.818 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.214 12.227 -11.607 1.00 0.00 O ATOM 0 H GLU A 68 4.115 14.611 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 68 6.943 13.866 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.625 12.098 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.704 13.173 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.575 13.405 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.050 11.739 -9.339 1.00 0.00 H new ATOM 1050 N GLY A 69 7.960 15.571 -8.192 1.00 0.00 N ATOM 1051 CA GLY A 69 8.570 16.621 -8.983 1.00 0.00 C ATOM 1052 C GLY A 69 7.764 17.907 -8.867 1.00 0.00 C ATOM 1053 O GLY A 69 7.658 18.483 -7.786 1.00 0.00 O ATOM 0 H GLY A 69 8.610 15.064 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.592 16.793 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.627 16.313 -10.027 1.00 0.00 H new ATOM 1057 N ASP A 70 7.191 18.355 -9.986 1.00 0.00 N ATOM 1058 CA ASP A 70 6.399 19.568 -10.007 1.00 0.00 C ATOM 1059 C ASP A 70 4.920 19.216 -10.078 1.00 0.00 C ATOM 1060 O ASP A 70 4.162 19.860 -10.799 1.00 0.00 O ATOM 1061 CB ASP A 70 6.810 20.423 -11.203 1.00 0.00 C ATOM 1062 CG ASP A 70 8.105 21.171 -10.918 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.215 21.704 -9.792 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.958 21.196 -11.829 1.00 0.00 O ATOM 0 H ASP A 70 7.266 17.887 -10.889 1.00 0.00 H new ATOM 0 HA ASP A 70 6.574 20.137 -9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.937 19.790 -12.081 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.018 21.135 -11.435 1.00 0.00 H new ATOM 1069 N ALA A 71 4.512 18.190 -9.328 1.00 0.00 N ATOM 1070 CA ALA A 71 3.129 17.758 -9.311 1.00 0.00 C ATOM 1071 C ALA A 71 2.859 16.942 -8.053 1.00 0.00 C ATOM 1072 O ALA A 71 3.673 16.929 -7.133 1.00 0.00 O ATOM 1073 CB ALA A 71 2.840 16.933 -10.562 1.00 0.00 C ATOM 0 H ALA A 71 5.129 17.646 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 71 2.472 18.628 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.800 16.607 -10.551 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.020 17.541 -11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.493 16.061 -10.581 1.00 0.00 H new ATOM 1079 N LYS A 72 1.711 16.262 -8.017 1.00 0.00 N ATOM 1080 CA LYS A 72 1.341 15.450 -6.875 1.00 0.00 C ATOM 1081 C LYS A 72 0.164 14.557 -7.235 1.00 0.00 C ATOM 1082 O LYS A 72 -0.736 14.971 -7.963 1.00 0.00 O ATOM 1083 CB LYS A 72 0.991 16.358 -5.699 1.00 0.00 C ATOM 1084 CG LYS A 72 -0.089 17.348 -6.125 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.985 17.669 -4.932 1.00 0.00 C ATOM 1086 CE LYS A 72 -1.475 19.110 -5.037 1.00 0.00 C ATOM 1087 NZ LYS A 72 -0.794 19.972 -4.058 1.00 0.00 N ATOM 0 H LYS A 72 1.025 16.263 -8.772 1.00 0.00 H new ATOM 0 HA LYS A 72 2.179 14.814 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.641 15.761 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.879 16.894 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.369 18.261 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.683 16.928 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.834 16.986 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.435 17.528 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.296 19.486 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.552 19.145 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.145 20.947 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.986 19.624 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.231 19.955 -4.234 1.00 0.00 H new ATOM 1101 N LYS A 73 0.170 13.324 -6.722 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.894 12.379 -6.990 1.00 0.00 C ATOM 1103 C LYS A 73 -0.896 11.285 -5.931 1.00 0.00 C ATOM 1104 O LYS A 73 0.138 11.008 -5.321 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.706 11.784 -8.382 1.00 0.00 C ATOM 1106 CG LYS A 73 0.726 11.277 -8.529 1.00 0.00 C ATOM 1107 CD LYS A 73 1.466 12.129 -9.556 1.00 0.00 C ATOM 1108 CE LYS A 73 1.405 11.448 -10.921 1.00 0.00 C ATOM 1109 NZ LYS A 73 1.717 12.399 -11.999 1.00 0.00 N ATOM 0 H LYS A 73 0.908 12.964 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.856 12.891 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.410 10.967 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.917 12.536 -9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.239 11.320 -7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.723 10.233 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.018 13.121 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.504 12.265 -9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.110 10.617 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.411 11.028 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.669 11.912 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.029 13.178 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.674 12.780 -11.859 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.056 10.664 -5.717 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.201 9.603 -4.720 1.00 0.00 C ATOM 1125 C LEU A 74 -1.711 8.252 -5.249 1.00 0.00 C ATOM 1126 O LEU A 74 -2.236 7.724 -6.226 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.669 9.496 -4.296 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.599 8.839 -5.336 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -6.054 8.870 -4.877 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.462 9.517 -6.694 1.00 0.00 C ATOM 0 H LEU A 74 -2.914 10.879 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.583 9.863 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.724 8.925 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.043 10.496 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.294 7.797 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.684 8.399 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.150 8.329 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.369 9.904 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.128 9.035 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.727 10.570 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.432 9.431 -7.041 1.00 0.00 H new ATOM 1142 N TYR A 75 -0.691 7.701 -4.587 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.124 6.428 -4.982 1.00 0.00 C ATOM 1144 C TYR A 75 -0.753 5.307 -4.165 1.00 0.00 C ATOM 1145 O TYR A 75 -0.687 5.318 -2.939 1.00 0.00 O ATOM 1146 CB TYR A 75 1.388 6.461 -4.781 1.00 0.00 C ATOM 1147 CG TYR A 75 2.086 7.497 -5.630 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.813 8.856 -5.442 1.00 0.00 C ATOM 1149 CD2 TYR A 75 3.007 7.097 -6.606 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.460 9.817 -6.229 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.655 8.056 -7.393 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.382 9.416 -7.204 1.00 0.00 C ATOM 1153 OH TYR A 75 4.013 10.351 -7.971 1.00 0.00 O ATOM 0 H TYR A 75 -0.246 8.125 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.333 6.244 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.603 6.659 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.799 5.478 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.103 9.164 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.217 6.048 -6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.248 10.866 -6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.365 7.747 -8.146 1.00 0.00 H new ATOM 0 HH TYR A 75 4.621 9.905 -8.597 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.361 4.337 -4.852 1.00 0.00 N ATOM 1164 CA GLU A 76 -1.995 3.216 -4.187 1.00 0.00 C ATOM 1165 C GLU A 76 -0.945 2.191 -3.782 1.00 0.00 C ATOM 1166 O GLU A 76 -0.601 1.308 -4.565 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.029 2.592 -5.119 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.714 3.691 -5.927 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.643 3.095 -6.976 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -4.224 2.099 -7.605 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.755 3.646 -7.128 1.00 0.00 O ATOM 0 H GLU A 76 -1.423 4.313 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.499 3.563 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.548 1.880 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.768 2.037 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.281 4.339 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.962 4.313 -6.413 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.437 2.310 -2.554 1.00 0.00 N ATOM 1179 CA ALA A 77 0.569 1.397 -2.050 1.00 0.00 C ATOM 1180 C ALA A 77 -0.087 0.091 -1.625 1.00 0.00 C ATOM 1181 O ALA A 77 -1.025 0.094 -0.832 1.00 0.00 O ATOM 1182 CB ALA A 77 1.299 2.042 -0.876 1.00 0.00 C ATOM 0 H ALA A 77 -0.713 3.037 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 77 1.293 1.179 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.056 1.355 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.778 2.963 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.585 2.269 -0.084 1.00 0.00 H new ATOM 1188 N LYS A 78 0.411 -1.029 -2.156 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.129 -2.334 -1.829 1.00 0.00 C ATOM 1190 C LYS A 78 0.962 -3.211 -1.231 1.00 0.00 C ATOM 1191 O LYS A 78 1.981 -3.462 -1.870 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.706 -2.974 -3.088 1.00 0.00 C ATOM 1193 CG LYS A 78 -2.137 -2.486 -3.297 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.133 -0.975 -3.516 1.00 0.00 C ATOM 1195 CE LYS A 78 -2.904 -0.644 -4.791 1.00 0.00 C ATOM 1196 NZ LYS A 78 -2.024 -0.700 -5.969 1.00 0.00 N ATOM 0 H LYS A 78 1.189 -1.049 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.925 -2.227 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.093 -2.718 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.691 -4.060 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.582 -2.988 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.748 -2.737 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.587 -0.472 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.109 -0.611 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.728 -1.347 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.343 0.350 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.568 -0.455 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.242 -0.024 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.639 -1.661 -6.069 1.00 0.00 H new ATOM 1210 N VAL A 79 0.745 -3.676 0.001 1.00 0.00 N ATOM 1211 CA VAL A 79 1.707 -4.521 0.681 1.00 0.00 C ATOM 1212 C VAL A 79 1.085 -5.880 0.968 1.00 0.00 C ATOM 1213 O VAL A 79 -0.102 -5.971 1.273 1.00 0.00 O ATOM 1214 CB VAL A 79 2.152 -3.844 1.974 1.00 0.00 C ATOM 1215 CG1 VAL A 79 3.488 -4.431 2.420 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.309 -2.345 1.736 1.00 0.00 C ATOM 0 H VAL A 79 -0.095 -3.476 0.544 1.00 0.00 H new ATOM 0 HA VAL A 79 2.581 -4.670 0.047 1.00 0.00 H new ATOM 0 HB VAL A 79 1.404 -4.012 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.807 -3.948 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.376 -5.502 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.236 -4.263 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.627 -1.861 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.057 -2.176 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.355 -1.925 1.416 1.00 0.00 H new ATOM 1226 N TRP A 80 1.892 -6.939 0.873 1.00 0.00 N ATOM 1227 CA TRP A 80 1.415 -8.284 1.126 1.00 0.00 C ATOM 1228 C TRP A 80 2.150 -8.879 2.319 1.00 0.00 C ATOM 1229 O TRP A 80 3.287 -9.326 2.192 1.00 0.00 O ATOM 1230 CB TRP A 80 1.625 -9.140 -0.120 1.00 0.00 C ATOM 1231 CG TRP A 80 0.833 -10.408 -0.155 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.305 -10.636 0.537 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.095 -11.632 -0.907 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.762 -11.909 0.267 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.065 -12.568 -0.619 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.097 -12.046 -1.802 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.031 -13.844 -1.187 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.072 -13.324 -2.377 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.043 -14.224 -2.073 1.00 0.00 C ATOM 0 H TRP A 80 2.879 -6.882 0.622 1.00 0.00 H new ATOM 0 HA TRP A 80 0.350 -8.257 1.358 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.371 -8.546 -0.998 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.684 -9.388 -0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.783 -9.930 1.200 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.606 -12.313 0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.900 -11.368 -2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.768 -14.529 -0.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.854 -13.618 -3.061 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.031 -15.207 -2.521 1.00 0.00 H new ATOM 1250 N GLU A 81 1.494 -8.882 3.482 1.00 0.00 N ATOM 1251 CA GLU A 81 2.086 -9.421 4.689 1.00 0.00 C ATOM 1252 C GLU A 81 1.337 -10.675 5.120 1.00 0.00 C ATOM 1253 O GLU A 81 0.240 -10.944 4.638 1.00 0.00 O ATOM 1254 CB GLU A 81 2.048 -8.364 5.790 1.00 0.00 C ATOM 1255 CG GLU A 81 0.666 -7.718 5.827 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.194 -8.340 6.917 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.248 -9.587 6.955 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.782 -7.555 7.692 1.00 0.00 O ATOM 0 H GLU A 81 0.551 -8.514 3.604 1.00 0.00 H new ATOM 0 HA GLU A 81 3.124 -9.691 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.274 -8.819 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.811 -7.607 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.765 -6.647 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.178 -7.838 4.860 1.00 0.00 H new ATOM 1265 N LYS A 82 1.936 -11.442 6.033 1.00 0.00 N ATOM 1266 CA LYS A 82 1.324 -12.661 6.525 1.00 0.00 C ATOM 1267 C LYS A 82 1.682 -12.865 7.991 1.00 0.00 C ATOM 1268 O LYS A 82 2.854 -13.001 8.335 1.00 0.00 O ATOM 1269 CB LYS A 82 1.800 -13.842 5.684 1.00 0.00 C ATOM 1270 CG LYS A 82 1.867 -13.427 4.217 1.00 0.00 C ATOM 1271 CD LYS A 82 2.665 -14.464 3.431 1.00 0.00 C ATOM 1272 CE LYS A 82 1.913 -14.820 2.151 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.762 -15.603 1.241 1.00 0.00 N ATOM 0 H LYS A 82 2.846 -11.233 6.443 1.00 0.00 H new ATOM 0 HA LYS A 82 0.240 -12.586 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.781 -14.173 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.120 -14.685 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.861 -13.339 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.335 -12.447 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.652 -14.071 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.817 -15.357 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.017 -15.389 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.584 -13.908 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.228 -15.832 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.605 -15.048 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.055 -16.483 1.711 1.00 0.00 H new ATOM 1287 N PRO A 83 0.665 -12.885 8.856 1.00 0.00 N ATOM 1288 CA PRO A 83 0.812 -13.069 10.284 1.00 0.00 C ATOM 1289 C PRO A 83 1.183 -14.517 10.576 1.00 0.00 C ATOM 1290 O PRO A 83 2.094 -14.780 11.358 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.558 -12.727 10.866 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.512 -13.114 9.736 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.725 -12.729 8.485 1.00 0.00 C ATOM 0 HA PRO A 83 1.596 -12.446 10.714 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.762 -13.289 11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.638 -11.670 11.118 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.750 -14.178 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.457 -12.575 9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.983 -13.371 7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.940 -11.704 8.183 1.00 0.00 H new ATOM 1301 N TRP A 84 0.473 -15.455 9.947 1.00 0.00 N ATOM 1302 CA TRP A 84 0.733 -16.867 10.145 1.00 0.00 C ATOM 1303 C TRP A 84 2.227 -17.138 10.041 1.00 0.00 C ATOM 1304 O TRP A 84 2.697 -18.204 10.432 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.037 -17.675 9.104 1.00 0.00 C ATOM 1306 CG TRP A 84 0.524 -17.615 7.719 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.564 -18.349 7.266 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.098 -16.789 6.593 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.809 -18.036 5.945 1.00 0.00 N ATOM 1310 CE2 TRP A 84 0.933 -17.076 5.479 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.907 -15.826 6.399 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.779 -16.445 4.242 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -1.071 -15.186 5.161 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.231 -15.492 4.084 1.00 0.00 C ATOM 0 H TRP A 84 -0.286 -15.254 9.296 1.00 0.00 H new ATOM 0 HA TRP A 84 0.399 -17.166 11.139 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.067 -18.717 9.423 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.067 -17.320 9.079 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.118 -19.070 7.849 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.546 -18.461 5.382 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.565 -15.574 7.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.432 -16.691 3.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.852 -14.451 5.038 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.363 -14.994 3.135 1.00 0.00 H new ATOM 1325 N MET A 85 2.974 -16.167 9.512 1.00 0.00 N ATOM 1326 CA MET A 85 4.409 -16.305 9.359 1.00 0.00 C ATOM 1327 C MET A 85 5.087 -14.962 9.591 1.00 0.00 C ATOM 1328 O MET A 85 6.289 -14.825 9.377 1.00 0.00 O ATOM 1329 CB MET A 85 4.721 -16.834 7.963 1.00 0.00 C ATOM 1330 CG MET A 85 4.340 -15.783 6.924 1.00 0.00 C ATOM 1331 SD MET A 85 4.926 -16.155 5.253 1.00 0.00 S ATOM 1332 CE MET A 85 6.710 -16.118 5.556 1.00 0.00 C ATOM 0 H MET A 85 2.600 -15.277 9.184 1.00 0.00 H new ATOM 0 HA MET A 85 4.790 -17.012 10.096 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.781 -17.074 7.882 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.171 -17.757 7.781 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.255 -15.683 6.904 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.743 -14.818 7.233 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.209 -15.616 4.727 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.911 -15.578 6.481 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.086 -17.138 5.642 1.00 0.00 H new ATOM 1342 N ASP A 86 4.310 -13.969 10.030 1.00 0.00 N ATOM 1343 CA ASP A 86 4.836 -12.644 10.288 1.00 0.00 C ATOM 1344 C ASP A 86 5.794 -12.244 9.173 1.00 0.00 C ATOM 1345 O ASP A 86 7.009 -12.306 9.345 1.00 0.00 O ATOM 1346 CB ASP A 86 5.545 -12.633 11.639 1.00 0.00 C ATOM 1347 CG ASP A 86 5.592 -11.226 12.217 1.00 0.00 C ATOM 1348 OD1 ASP A 86 6.483 -10.464 11.784 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.735 -10.938 13.080 1.00 0.00 O ATOM 0 H ASP A 86 3.311 -14.067 10.212 1.00 0.00 H new ATOM 0 HA ASP A 86 4.019 -11.923 10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.028 -13.297 12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.559 -13.018 11.525 1.00 0.00 H new ATOM 1354 N PHE A 87 5.242 -11.834 8.029 1.00 0.00 N ATOM 1355 CA PHE A 87 6.050 -11.427 6.896 1.00 0.00 C ATOM 1356 C PHE A 87 5.375 -10.273 6.169 1.00 0.00 C ATOM 1357 O PHE A 87 4.263 -9.881 6.516 1.00 0.00 O ATOM 1358 CB PHE A 87 6.244 -12.617 5.960 1.00 0.00 C ATOM 1359 CG PHE A 87 6.578 -12.220 4.541 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.890 -11.868 4.204 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.573 -12.199 3.565 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.198 -11.498 2.889 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.882 -11.828 2.251 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.195 -11.478 1.913 1.00 0.00 C ATOM 0 H PHE A 87 4.236 -11.778 7.871 1.00 0.00 H new ATOM 0 HA PHE A 87 7.027 -11.089 7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.042 -13.249 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.335 -13.218 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.664 -11.882 4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.560 -12.469 3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.210 -11.228 2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.108 -11.812 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.434 -11.193 0.899 1.00 0.00 H new ATOM 1374 N LYS A 88 6.054 -9.727 5.156 1.00 0.00 N ATOM 1375 CA LYS A 88 5.517 -8.622 4.387 1.00 0.00 C ATOM 1376 C LYS A 88 6.494 -8.237 3.285 1.00 0.00 C ATOM 1377 O LYS A 88 7.699 -8.429 3.423 1.00 0.00 O ATOM 1378 CB LYS A 88 5.255 -7.438 5.314 1.00 0.00 C ATOM 1379 CG LYS A 88 6.578 -6.936 5.885 1.00 0.00 C ATOM 1380 CD LYS A 88 6.656 -5.419 5.733 1.00 0.00 C ATOM 1381 CE LYS A 88 6.941 -4.786 7.092 1.00 0.00 C ATOM 1382 NZ LYS A 88 8.378 -4.518 7.258 1.00 0.00 N ATOM 0 H LYS A 88 6.978 -10.039 4.856 1.00 0.00 H new ATOM 0 HA LYS A 88 4.576 -8.920 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.756 -6.638 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.588 -7.736 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.660 -7.211 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.412 -7.407 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.441 -5.154 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.719 -5.034 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.381 -3.856 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.597 -5.450 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.554 -4.151 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.914 -5.399 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.683 -3.814 6.556 1.00 0.00 H new ATOM 1396 N GLU A 89 5.968 -7.691 2.185 1.00 0.00 N ATOM 1397 CA GLU A 89 6.793 -7.282 1.068 1.00 0.00 C ATOM 1398 C GLU A 89 6.009 -6.348 0.156 1.00 0.00 C ATOM 1399 O GLU A 89 4.990 -6.744 -0.411 1.00 0.00 O ATOM 1400 CB GLU A 89 7.261 -8.518 0.304 1.00 0.00 C ATOM 1401 CG GLU A 89 8.151 -8.089 -0.860 1.00 0.00 C ATOM 1402 CD GLU A 89 9.308 -9.061 -1.045 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.059 -10.135 -1.633 1.00 0.00 O ATOM 1404 OE2 GLU A 89 10.420 -8.711 -0.594 1.00 0.00 O ATOM 0 H GLU A 89 4.970 -7.526 2.054 1.00 0.00 H new ATOM 0 HA GLU A 89 7.667 -6.744 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.810 -9.184 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.402 -9.076 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.561 -8.041 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.538 -7.087 -0.677 1.00 0.00 H new ATOM 1411 N LEU A 90 6.486 -5.112 0.015 1.00 0.00 N ATOM 1412 CA LEU A 90 5.826 -4.110 -0.821 1.00 0.00 C ATOM 1413 C LEU A 90 5.624 -4.604 -2.255 1.00 0.00 C ATOM 1414 O LEU A 90 6.554 -5.085 -2.899 1.00 0.00 O ATOM 1415 CB LEU A 90 6.653 -2.820 -0.825 1.00 0.00 C ATOM 1416 CG LEU A 90 5.924 -1.587 -1.398 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.302 -1.892 -2.758 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.857 -1.087 -0.432 1.00 0.00 C ATOM 0 H LEU A 90 7.334 -4.779 0.473 1.00 0.00 H new ATOM 0 HA LEU A 90 4.840 -3.919 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.962 -2.600 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.561 -2.989 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 90 6.668 -0.802 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.796 -1.003 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.084 -2.188 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.581 -2.703 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.358 -0.217 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.125 -1.876 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.323 -0.809 0.513 1.00 0.00 H new ATOM 1430 N GLN A 91 4.388 -4.484 -2.746 1.00 0.00 N ATOM 1431 CA GLN A 91 4.054 -4.918 -4.087 1.00 0.00 C ATOM 1432 C GLN A 91 4.199 -3.754 -5.058 1.00 0.00 C ATOM 1433 O GLN A 91 4.743 -3.914 -6.149 1.00 0.00 O ATOM 1434 CB GLN A 91 2.628 -5.461 -4.104 1.00 0.00 C ATOM 1435 CG GLN A 91 2.571 -6.769 -3.320 1.00 0.00 C ATOM 1436 CD GLN A 91 3.182 -7.909 -4.123 1.00 0.00 C ATOM 1437 OE1 GLN A 91 2.956 -8.014 -5.327 1.00 0.00 O ATOM 1438 NE2 GLN A 91 3.956 -8.766 -3.452 1.00 0.00 N ATOM 0 H GLN A 91 3.606 -4.087 -2.226 1.00 0.00 H new ATOM 0 HA GLN A 91 4.735 -5.711 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.945 -4.733 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.303 -5.626 -5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.105 -6.656 -2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.536 -7.006 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.113 -8.636 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.390 -9.550 -3.939 1.00 0.00 H new ATOM 1447 N GLU A 92 3.710 -2.578 -4.658 1.00 0.00 N ATOM 1448 CA GLU A 92 3.790 -1.396 -5.493 1.00 0.00 C ATOM 1449 C GLU A 92 2.851 -0.321 -4.963 1.00 0.00 C ATOM 1450 O GLU A 92 1.785 -0.628 -4.434 1.00 0.00 O ATOM 1451 CB GLU A 92 3.432 -1.765 -6.930 1.00 0.00 C ATOM 1452 CG GLU A 92 4.700 -1.791 -7.779 1.00 0.00 C ATOM 1453 CD GLU A 92 4.547 -2.745 -8.955 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.734 -2.420 -9.848 1.00 0.00 O ATOM 1455 OE2 GLU A 92 5.245 -3.782 -8.939 1.00 0.00 O ATOM 0 H GLU A 92 3.255 -2.427 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 92 4.806 -1.002 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.944 -2.739 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.724 -1.043 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.918 -0.788 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.547 -2.097 -7.165 1.00 0.00 H new ATOM 1462 N PHE A 93 3.251 0.944 -5.107 1.00 0.00 N ATOM 1463 CA PHE A 93 2.446 2.056 -4.644 1.00 0.00 C ATOM 1464 C PHE A 93 2.451 3.167 -5.686 1.00 0.00 C ATOM 1465 O PHE A 93 3.433 3.894 -5.817 1.00 0.00 O ATOM 1466 CB PHE A 93 2.996 2.561 -3.313 1.00 0.00 C ATOM 1467 CG PHE A 93 4.036 3.644 -3.462 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.310 3.329 -3.949 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.729 4.964 -3.109 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.276 4.333 -4.084 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.696 5.968 -3.245 1.00 0.00 C ATOM 1472 CZ PHE A 93 5.969 5.652 -3.733 1.00 0.00 C ATOM 0 H PHE A 93 4.132 1.216 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 93 1.417 1.728 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.172 2.941 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.431 1.723 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.548 2.311 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.747 5.208 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.259 4.089 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.459 6.986 -2.973 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.714 6.426 -3.839 1.00 0.00 H new ATOM 1482 N LYS A 94 1.348 3.296 -6.427 1.00 0.00 N ATOM 1483 CA LYS A 94 1.233 4.315 -7.450 1.00 0.00 C ATOM 1484 C LYS A 94 -0.234 4.553 -7.781 1.00 0.00 C ATOM 1485 O LYS A 94 -1.087 3.728 -7.462 1.00 0.00 O ATOM 1486 CB LYS A 94 2.002 3.876 -8.694 1.00 0.00 C ATOM 1487 CG LYS A 94 3.254 4.737 -8.847 1.00 0.00 C ATOM 1488 CD LYS A 94 3.847 4.529 -10.237 1.00 0.00 C ATOM 1489 CE LYS A 94 4.356 3.096 -10.364 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.332 2.787 -9.307 1.00 0.00 N ATOM 0 H LYS A 94 0.525 2.702 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 94 1.659 5.250 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.278 2.825 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.371 3.972 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.006 5.788 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.986 4.472 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.093 4.727 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.663 5.232 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.518 2.402 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.817 2.955 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.071 2.162 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.766 3.669 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.850 2.311 -8.518 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.526 5.686 -8.423 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.861 6.079 -8.819 1.00 0.00 C ATOM 1506 C PRO A 95 -2.321 5.218 -9.986 1.00 0.00 C ATOM 1507 O PRO A 95 -3.424 5.400 -10.497 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.729 7.543 -9.237 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.295 7.620 -9.755 1.00 0.00 C ATOM 1510 CD PRO A 95 0.453 6.679 -8.813 1.00 0.00 C ATOM 0 HA PRO A 95 -2.595 5.954 -8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.452 7.810 -10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.893 8.219 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.222 7.296 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.098 8.636 -9.709 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.306 6.218 -9.311 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.840 7.214 -7.946 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.472 4.277 -10.407 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.794 3.395 -11.510 1.00 0.00 C ATOM 1520 C VAL A 96 -2.331 4.208 -12.680 1.00 0.00 C ATOM 1521 O VAL A 96 -3.542 4.311 -12.862 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.821 2.363 -11.052 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -3.246 1.506 -12.241 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -2.201 1.471 -9.980 1.00 0.00 C ATOM 0 H VAL A 96 -0.555 4.113 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.895 2.873 -11.838 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.692 2.874 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.979 0.769 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.687 2.142 -13.008 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.375 0.994 -12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.934 0.733 -9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.330 0.960 -10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.896 2.082 -9.130 1.00 0.00 H new ATOM 1534 N ASP A 97 -1.427 4.785 -13.474 1.00 0.00 N ATOM 1535 CA ASP A 97 -1.813 5.584 -14.619 1.00 0.00 C ATOM 1536 C ASP A 97 -1.605 4.786 -15.897 1.00 0.00 C ATOM 1537 O ASP A 97 -0.607 4.969 -16.591 1.00 0.00 O ATOM 1538 CB ASP A 97 -0.989 6.868 -14.643 1.00 0.00 C ATOM 1539 CG ASP A 97 -1.624 7.939 -13.767 1.00 0.00 C ATOM 1540 OD1 ASP A 97 -2.626 8.527 -14.226 1.00 0.00 O ATOM 1541 OD2 ASP A 97 -1.096 8.148 -12.653 1.00 0.00 O ATOM 0 H ASP A 97 -0.419 4.708 -13.337 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.868 5.847 -14.546 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.023 6.662 -14.295 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.906 7.232 -15.667 1.00 0.00 H new ATOM 1546 N ALA A 98 -2.551 3.897 -16.209 1.00 0.00 N ATOM 1547 CA ALA A 98 -2.467 3.075 -17.400 1.00 0.00 C ATOM 1548 C ALA A 98 -3.635 2.101 -17.438 1.00 0.00 C ATOM 1549 O ALA A 98 -3.934 1.447 -16.441 1.00 0.00 O ATOM 1550 CB ALA A 98 -1.138 2.327 -17.407 1.00 0.00 C ATOM 0 H ALA A 98 -3.385 3.734 -15.645 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.518 3.706 -18.287 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.073 1.708 -18.302 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.317 3.044 -17.401 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.072 1.693 -16.523 1.00 0.00 H new ATOM 1556 N SER A 99 -4.297 2.006 -18.594 1.00 0.00 N ATOM 1557 CA SER A 99 -5.426 1.112 -18.755 1.00 0.00 C ATOM 1558 C SER A 99 -6.599 1.607 -17.920 1.00 0.00 C ATOM 1559 O SER A 99 -7.606 2.056 -18.464 1.00 0.00 O ATOM 1560 CB SER A 99 -5.022 -0.299 -18.337 1.00 0.00 C ATOM 1561 OG SER A 99 -5.253 -1.189 -19.405 1.00 0.00 O ATOM 0 H SER A 99 -4.063 2.543 -19.429 1.00 0.00 H new ATOM 0 HA SER A 99 -5.732 1.092 -19.801 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.970 -0.319 -18.054 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.593 -0.608 -17.462 1.00 0.00 H new ATOM 0 HG SER A 99 -4.992 -2.095 -19.138 1.00 0.00 H new ATOM 1567 N ALA A 100 -6.466 1.525 -16.596 1.00 0.00 N ATOM 1568 CA ALA A 100 -7.513 1.963 -15.693 1.00 0.00 C ATOM 1569 C ALA A 100 -8.736 1.071 -15.850 1.00 0.00 C ATOM 1570 O ALA A 100 -8.684 0.060 -16.548 1.00 0.00 O ATOM 1571 CB ALA A 100 -7.862 3.418 -15.990 1.00 0.00 C ATOM 0 H ALA A 100 -5.637 1.156 -16.130 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.165 1.889 -14.663 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.649 3.749 -15.312 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.978 4.040 -15.851 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.209 3.506 -17.019 1.00 0.00 H new ATOM 1577 N ASN A 101 -9.838 1.447 -15.198 1.00 0.00 N ATOM 1578 CA ASN A 101 -11.065 0.681 -15.269 1.00 0.00 C ATOM 1579 C ASN A 101 -10.845 -0.709 -14.689 1.00 0.00 C ATOM 1580 O ASN A 101 -9.714 -1.087 -14.387 1.00 0.00 O ATOM 1581 CB ASN A 101 -11.525 0.592 -16.722 1.00 0.00 C ATOM 1582 CG ASN A 101 -11.606 1.975 -17.351 1.00 0.00 C ATOM 1583 OD1 ASN A 101 -10.597 2.515 -17.802 1.00 0.00 O ATOM 1584 ND2 ASN A 101 -12.811 2.549 -17.383 1.00 0.00 N ATOM 0 H ASN A 101 -9.897 2.282 -14.615 1.00 0.00 H new ATOM 0 HA ASN A 101 -11.839 1.177 -14.684 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.833 -0.030 -17.289 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.501 0.108 -16.770 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.924 3.475 -17.795 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.619 2.061 -16.996 1.00 0.00 H new ATOM 1591 N ALA A 102 -11.930 -1.470 -14.532 1.00 0.00 N ATOM 1592 CA ALA A 102 -11.852 -2.811 -13.989 1.00 0.00 C ATOM 1593 C ALA A 102 -13.188 -3.519 -14.170 1.00 0.00 C ATOM 1594 O ALA A 102 -14.240 -2.890 -14.090 1.00 0.00 O ATOM 1595 CB ALA A 102 -11.473 -2.740 -12.513 1.00 0.00 C ATOM 1596 OXT ALA A 102 -13.226 -4.727 -14.399 1.00 0.00 O ATOM 0 H ALA A 102 -12.874 -1.171 -14.777 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.088 -3.379 -14.520 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.414 -3.748 -12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.505 -2.249 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.228 -2.172 -11.970 1.00 0.00 H new TER 1602 ALA A 102