USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1106 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 126 LYS NZ :NH3+ -155:sc= -0.865 (180deg=-2.4!) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 121 LYS NZ :NH3+ -106:sc= -0.165 (180deg=-3.72!) USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 78 THR OG1 : rot -3:sc= -0.214 USER MOD Set 3.2: A 81 GLN : amide:sc= -1.03 K(o=-1.2,f=-10!) USER MOD Set 4.1: A 44 SER OG : rot -124:sc= 0.0586 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -0.411 X(o=-0.25,f=-0.1) USER MOD Set 4.3: A 67 SER OG : rot -167:sc= 0.0985 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0859) USER MOD Single : A 13 ASN : amide:sc= -0.0606 X(o=-0.061,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 16 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.3!) USER MOD Single : A 17 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.9) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0117) USER MOD Single : A 29 ASN : amide:sc= -3.71 K(o=-3.7,f=-10!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.17 F(o=-2.5!,f=-1.2) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.361 F(o=-0.98,f=-0.36) USER MOD Single : A 65 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-4.2!) USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= -0.193 (180deg=-1.3) USER MOD Single : A 71 SER OG : rot 120:sc= -0.419 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.36) USER MOD Single : A 84 CYS SG : rot -131:sc= 0.0799 USER MOD Single : A 85 MET CE :methyl -112:sc= -2.82 (180deg=-3.14!) USER MOD Single : A 86 GLN : amide:sc= -8.42! C(o=-8.4!,f=-8.8!) USER MOD Single : A 88 MET CE :methyl -176:sc= -0.933 (180deg=-0.999) USER MOD Single : A 90 ASN : amide:sc= -0.846 K(o=-0.85,f=-8!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.77 USER MOD Single : A 100 ASN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.267 F(o=-1.4,f=-0.27) USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 110 THR OG1 : rot 27:sc= 0.522 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 168:sc=-0.00126 (180deg=-0.0966) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00981) USER MOD Single : A 131 ASN : amide:sc= 0.742 K(o=0.74,f=-4.2!) USER MOD Single : A 136 SER OG : rot 35:sc= 0.689 USER MOD Single : A 139 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.189 -30.741 -5.224 1.00 0.00 N ATOM 2 CA GLY A 1 -10.495 -31.229 -5.624 1.00 0.00 C ATOM 3 C GLY A 1 -11.597 -30.222 -5.359 1.00 0.00 C ATOM 4 O GLY A 1 -12.061 -29.545 -6.276 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.471 -31.466 -5.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.965 -29.875 -5.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.193 -30.532 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.478 -31.473 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.714 -32.152 -5.088 1.00 0.00 H new ATOM 8 N SER A 2 -12.017 -30.124 -4.102 1.00 0.00 N ATOM 9 CA SER A 2 -13.075 -29.196 -3.720 1.00 0.00 C ATOM 10 C SER A 2 -12.600 -27.751 -3.838 1.00 0.00 C ATOM 11 O SER A 2 -11.658 -27.339 -3.162 1.00 0.00 O ATOM 12 CB SER A 2 -13.536 -29.477 -2.288 1.00 0.00 C ATOM 13 OG SER A 2 -14.842 -28.975 -2.065 1.00 0.00 O ATOM 0 H SER A 2 -11.641 -30.676 -3.331 1.00 0.00 H new ATOM 0 HA SER A 2 -13.914 -29.341 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.519 -30.551 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.842 -29.020 -1.583 1.00 0.00 H new ATOM 0 HG SER A 2 -15.114 -29.169 -1.144 1.00 0.00 H new ATOM 19 N SER A 3 -13.259 -26.987 -4.703 1.00 0.00 N ATOM 20 CA SER A 3 -12.903 -25.589 -4.915 1.00 0.00 C ATOM 21 C SER A 3 -13.919 -24.664 -4.253 1.00 0.00 C ATOM 22 O SER A 3 -14.948 -25.111 -3.750 1.00 0.00 O ATOM 23 CB SER A 3 -12.817 -25.284 -6.411 1.00 0.00 C ATOM 24 OG SER A 3 -14.040 -25.578 -7.063 1.00 0.00 O ATOM 0 H SER A 3 -14.043 -27.313 -5.269 1.00 0.00 H new ATOM 0 HA SER A 3 -11.928 -25.415 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.567 -24.233 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.013 -25.868 -6.859 1.00 0.00 H new ATOM 0 HG SER A 3 -13.959 -25.373 -8.018 1.00 0.00 H new ATOM 30 N GLY A 4 -13.620 -23.368 -4.257 1.00 0.00 N ATOM 31 CA GLY A 4 -14.516 -22.398 -3.654 1.00 0.00 C ATOM 32 C GLY A 4 -15.140 -21.471 -4.678 1.00 0.00 C ATOM 33 O GLY A 4 -14.444 -20.912 -5.525 1.00 0.00 O ATOM 0 H GLY A 4 -12.774 -22.973 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.305 -22.923 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.967 -21.807 -2.921 1.00 0.00 H new ATOM 37 N SER A 5 -16.457 -21.307 -4.600 1.00 0.00 N ATOM 38 CA SER A 5 -17.176 -20.445 -5.531 1.00 0.00 C ATOM 39 C SER A 5 -17.063 -18.982 -5.114 1.00 0.00 C ATOM 40 O SER A 5 -16.954 -18.670 -3.928 1.00 0.00 O ATOM 41 CB SER A 5 -18.648 -20.855 -5.605 1.00 0.00 C ATOM 42 OG SER A 5 -19.426 -19.850 -6.234 1.00 0.00 O ATOM 0 H SER A 5 -17.047 -21.759 -3.902 1.00 0.00 H new ATOM 0 HA SER A 5 -16.725 -20.559 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.741 -21.790 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.029 -21.039 -4.600 1.00 0.00 H new ATOM 0 HG SER A 5 -20.363 -20.136 -6.271 1.00 0.00 H new ATOM 48 N SER A 6 -17.091 -18.089 -6.098 1.00 0.00 N ATOM 49 CA SER A 6 -16.989 -16.658 -5.835 1.00 0.00 C ATOM 50 C SER A 6 -18.055 -16.211 -4.839 1.00 0.00 C ATOM 51 O SER A 6 -18.976 -16.962 -4.520 1.00 0.00 O ATOM 52 CB SER A 6 -17.127 -15.867 -7.137 1.00 0.00 C ATOM 53 OG SER A 6 -18.468 -15.871 -7.595 1.00 0.00 O ATOM 0 H SER A 6 -17.183 -18.331 -7.085 1.00 0.00 H new ATOM 0 HA SER A 6 -16.008 -16.463 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.796 -14.840 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.478 -16.298 -7.899 1.00 0.00 H new ATOM 0 HG SER A 6 -18.531 -15.358 -8.427 1.00 0.00 H new ATOM 59 N GLY A 7 -17.922 -14.981 -4.352 1.00 0.00 N ATOM 60 CA GLY A 7 -18.880 -14.454 -3.397 1.00 0.00 C ATOM 61 C GLY A 7 -18.601 -14.916 -1.981 1.00 0.00 C ATOM 62 O GLY A 7 -19.092 -15.961 -1.552 1.00 0.00 O ATOM 0 H GLY A 7 -17.169 -14.340 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.860 -13.365 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.884 -14.764 -3.686 1.00 0.00 H new ATOM 66 N LYS A 8 -17.809 -14.138 -1.251 1.00 0.00 N ATOM 67 CA LYS A 8 -17.465 -14.472 0.125 1.00 0.00 C ATOM 68 C LYS A 8 -17.820 -13.327 1.069 1.00 0.00 C ATOM 69 O LYS A 8 -18.258 -12.263 0.631 1.00 0.00 O ATOM 70 CB LYS A 8 -15.972 -14.793 0.236 1.00 0.00 C ATOM 71 CG LYS A 8 -15.630 -16.226 -0.132 1.00 0.00 C ATOM 72 CD LYS A 8 -14.222 -16.337 -0.693 1.00 0.00 C ATOM 73 CE LYS A 8 -13.173 -16.143 0.391 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.883 -15.651 -0.167 1.00 0.00 N ATOM 0 H LYS A 8 -17.393 -13.271 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.043 -15.350 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.414 -14.117 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.642 -14.600 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.723 -16.861 0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.346 -16.595 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.090 -17.314 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.081 -15.591 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.543 -15.433 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.008 -17.087 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.195 -15.532 0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.517 -16.340 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.035 -14.737 -0.640 1.00 0.00 H new ATOM 88 N ALA A 9 -17.628 -13.552 2.364 1.00 0.00 N ATOM 89 CA ALA A 9 -17.925 -12.538 3.368 1.00 0.00 C ATOM 90 C ALA A 9 -16.727 -11.622 3.594 1.00 0.00 C ATOM 91 O ALA A 9 -16.413 -11.264 4.729 1.00 0.00 O ATOM 92 CB ALA A 9 -18.342 -13.196 4.675 1.00 0.00 C ATOM 0 H ALA A 9 -17.268 -14.428 2.743 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.751 -11.929 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.561 -12.427 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.232 -13.803 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.533 -13.830 5.038 1.00 0.00 H new ATOM 98 N GLN A 10 -16.063 -11.245 2.506 1.00 0.00 N ATOM 99 CA GLN A 10 -14.899 -10.371 2.587 1.00 0.00 C ATOM 100 C GLN A 10 -15.310 -8.906 2.489 1.00 0.00 C ATOM 101 O GLN A 10 -14.858 -8.069 3.270 1.00 0.00 O ATOM 102 CB GLN A 10 -13.903 -10.709 1.476 1.00 0.00 C ATOM 103 CG GLN A 10 -14.486 -10.586 0.077 1.00 0.00 C ATOM 104 CD GLN A 10 -13.513 -11.019 -1.001 1.00 0.00 C ATOM 105 OE1 GLN A 10 -13.625 -12.116 -1.550 1.00 0.00 O ATOM 106 NE2 GLN A 10 -12.551 -10.158 -1.311 1.00 0.00 N ATOM 0 H GLN A 10 -16.311 -11.531 1.559 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.422 -10.531 3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.040 -10.049 1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.541 -11.727 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -15.390 -11.192 0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.781 -9.552 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.496 -9.260 -0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.867 -10.395 -2.030 1.00 0.00 H new ATOM 115 N LYS A 11 -16.170 -8.602 1.522 1.00 0.00 N ATOM 116 CA LYS A 11 -16.644 -7.238 1.321 1.00 0.00 C ATOM 117 C LYS A 11 -17.653 -6.848 2.397 1.00 0.00 C ATOM 118 O LYS A 11 -17.535 -5.792 3.020 1.00 0.00 O ATOM 119 CB LYS A 11 -17.279 -7.095 -0.064 1.00 0.00 C ATOM 120 CG LYS A 11 -17.614 -5.661 -0.435 1.00 0.00 C ATOM 121 CD LYS A 11 -17.345 -5.389 -1.906 1.00 0.00 C ATOM 122 CE LYS A 11 -18.445 -5.958 -2.788 1.00 0.00 C ATOM 123 NZ LYS A 11 -19.697 -5.156 -2.701 1.00 0.00 N ATOM 0 H LYS A 11 -16.553 -9.282 0.865 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.787 -6.569 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.599 -7.505 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.190 -7.693 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.662 -5.462 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.024 -4.978 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.265 -4.314 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.388 -5.826 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.103 -5.986 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.652 -6.987 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.342 -5.435 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.156 -5.327 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.469 -4.145 -2.791 1.00 0.00 H new ATOM 137 N LEU A 12 -18.643 -7.707 2.612 1.00 0.00 N ATOM 138 CA LEU A 12 -19.672 -7.453 3.614 1.00 0.00 C ATOM 139 C LEU A 12 -19.076 -6.790 4.851 1.00 0.00 C ATOM 140 O LEU A 12 -19.637 -5.835 5.387 1.00 0.00 O ATOM 141 CB LEU A 12 -20.364 -8.761 4.006 1.00 0.00 C ATOM 142 CG LEU A 12 -21.344 -8.677 5.177 1.00 0.00 C ATOM 143 CD1 LEU A 12 -22.644 -8.022 4.738 1.00 0.00 C ATOM 144 CD2 LEU A 12 -21.609 -10.061 5.751 1.00 0.00 C ATOM 0 H LEU A 12 -18.755 -8.585 2.106 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.407 -6.775 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.900 -9.140 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.597 -9.495 4.252 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.896 -8.062 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.329 -7.971 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.439 -7.015 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -23.096 -8.610 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.308 -9.982 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.036 -10.700 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.673 -10.494 6.104 1.00 0.00 H new ATOM 156 N ASN A 13 -17.933 -7.302 5.298 1.00 0.00 N ATOM 157 CA ASN A 13 -17.259 -6.758 6.471 1.00 0.00 C ATOM 158 C ASN A 13 -16.473 -5.500 6.112 1.00 0.00 C ATOM 159 O ASN A 13 -15.579 -5.536 5.267 1.00 0.00 O ATOM 160 CB ASN A 13 -16.322 -7.804 7.077 1.00 0.00 C ATOM 161 CG ASN A 13 -17.071 -8.876 7.845 1.00 0.00 C ATOM 162 OD1 ASN A 13 -17.016 -8.928 9.074 1.00 0.00 O ATOM 163 ND2 ASN A 13 -17.775 -9.738 7.121 1.00 0.00 N ATOM 0 H ASN A 13 -17.455 -8.092 4.865 1.00 0.00 H new ATOM 0 HA ASN A 13 -18.019 -6.492 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.740 -8.270 6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.614 -7.311 7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.299 -10.482 7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.791 -9.656 6.104 1.00 0.00 H new ATOM 170 N GLU A 14 -16.812 -4.391 6.762 1.00 0.00 N ATOM 171 CA GLU A 14 -16.138 -3.123 6.510 1.00 0.00 C ATOM 172 C GLU A 14 -15.157 -2.796 7.633 1.00 0.00 C ATOM 173 O GLU A 14 -15.518 -2.151 8.617 1.00 0.00 O ATOM 174 CB GLU A 14 -17.161 -1.995 6.368 1.00 0.00 C ATOM 175 CG GLU A 14 -18.217 -1.989 7.461 1.00 0.00 C ATOM 176 CD GLU A 14 -19.298 -3.028 7.233 1.00 0.00 C ATOM 177 OE1 GLU A 14 -19.613 -3.310 6.058 1.00 0.00 O ATOM 178 OE2 GLU A 14 -19.828 -3.560 8.231 1.00 0.00 O ATOM 0 H GLU A 14 -17.549 -4.345 7.466 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.580 -3.217 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.638 -1.039 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.653 -2.082 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.739 -2.172 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.674 -1.001 7.515 1.00 0.00 H new ATOM 185 N GLN A 15 -13.917 -3.248 7.478 1.00 0.00 N ATOM 186 CA GLN A 15 -12.885 -3.005 8.479 1.00 0.00 C ATOM 187 C GLN A 15 -11.494 -3.086 7.858 1.00 0.00 C ATOM 188 O GLN A 15 -11.215 -3.971 7.049 1.00 0.00 O ATOM 189 CB GLN A 15 -13.006 -4.014 9.622 1.00 0.00 C ATOM 190 CG GLN A 15 -12.795 -5.455 9.186 1.00 0.00 C ATOM 191 CD GLN A 15 -13.366 -6.453 10.174 1.00 0.00 C ATOM 192 OE1 GLN A 15 -14.495 -6.919 10.020 1.00 0.00 O ATOM 193 NE2 GLN A 15 -12.587 -6.787 11.196 1.00 0.00 N ATOM 0 H GLN A 15 -13.603 -3.784 6.669 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.028 -2.000 8.875 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.277 -3.766 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.993 -3.921 10.075 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.259 -5.608 8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.728 -5.641 9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.658 -6.376 11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.918 -7.455 11.893 1.00 0.00 H new ATOM 202 N HIS A 16 -10.625 -2.156 8.242 1.00 0.00 N ATOM 203 CA HIS A 16 -9.262 -2.123 7.722 1.00 0.00 C ATOM 204 C HIS A 16 -8.624 -3.507 7.784 1.00 0.00 C ATOM 205 O HIS A 16 -8.346 -4.118 6.752 1.00 0.00 O ATOM 206 CB HIS A 16 -8.417 -1.123 8.512 1.00 0.00 C ATOM 207 CG HIS A 16 -9.166 0.112 8.910 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.464 1.128 8.026 1.00 0.00 N ATOM 209 CD2 HIS A 16 -9.679 0.490 10.104 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.126 2.079 8.660 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.270 1.716 9.922 1.00 0.00 N ATOM 0 H HIS A 16 -10.840 -1.416 8.910 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.304 -1.808 6.679 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.035 -1.611 9.409 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.553 -0.837 7.912 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.632 -0.068 11.027 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.488 2.997 8.221 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.744 2.259 10.644 1.00 0.00 H new ATOM 219 N GLN A 17 -8.394 -3.994 8.999 1.00 0.00 N ATOM 220 CA GLN A 17 -7.786 -5.306 9.193 1.00 0.00 C ATOM 221 C GLN A 17 -8.153 -6.250 8.053 1.00 0.00 C ATOM 222 O GLN A 17 -7.288 -6.919 7.485 1.00 0.00 O ATOM 223 CB GLN A 17 -8.231 -5.904 10.529 1.00 0.00 C ATOM 224 CG GLN A 17 -7.353 -5.495 11.701 1.00 0.00 C ATOM 225 CD GLN A 17 -7.564 -4.051 12.111 1.00 0.00 C ATOM 226 OE1 GLN A 17 -8.681 -3.536 12.060 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.488 -3.389 12.522 1.00 0.00 N ATOM 0 H GLN A 17 -8.619 -3.501 9.863 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.703 -5.180 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.258 -5.598 10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.232 -6.991 10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.562 -6.144 12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.306 -5.644 11.436 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.581 -3.856 12.548 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.569 -2.414 12.811 1.00 0.00 H new ATOM 236 N LEU A 18 -9.438 -6.299 7.722 1.00 0.00 N ATOM 237 CA LEU A 18 -9.920 -7.162 6.649 1.00 0.00 C ATOM 238 C LEU A 18 -9.248 -6.811 5.325 1.00 0.00 C ATOM 239 O LEU A 18 -8.713 -7.682 4.639 1.00 0.00 O ATOM 240 CB LEU A 18 -11.438 -7.040 6.512 1.00 0.00 C ATOM 241 CG LEU A 18 -12.168 -8.280 5.993 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.622 -8.691 4.635 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.046 -9.425 6.988 1.00 0.00 C ATOM 0 H LEU A 18 -10.166 -5.751 8.181 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.667 -8.191 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.851 -6.782 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.656 -6.208 5.843 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.224 -8.036 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.153 -9.575 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.761 -7.876 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.559 -8.918 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.571 -10.299 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.994 -9.669 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.486 -9.128 7.940 1.00 0.00 H new ATOM 255 N ILE A 19 -9.279 -5.530 4.974 1.00 0.00 N ATOM 256 CA ILE A 19 -8.670 -5.063 3.734 1.00 0.00 C ATOM 257 C ILE A 19 -7.187 -5.412 3.685 1.00 0.00 C ATOM 258 O ILE A 19 -6.703 -5.978 2.704 1.00 0.00 O ATOM 259 CB ILE A 19 -8.834 -3.541 3.564 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.317 -3.165 3.542 1.00 0.00 C ATOM 261 CG2 ILE A 19 -8.144 -3.073 2.292 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.597 -1.779 4.080 1.00 0.00 C ATOM 0 H ILE A 19 -9.719 -4.797 5.530 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.187 -5.569 2.919 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.365 -3.043 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.685 -3.230 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.877 -3.894 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.269 -1.995 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.082 -3.312 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.586 -3.576 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.668 -1.580 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.260 -1.715 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.065 -1.041 3.479 1.00 0.00 H new ATOM 274 N LEU A 20 -6.469 -5.073 4.750 1.00 0.00 N ATOM 275 CA LEU A 20 -5.039 -5.352 4.830 1.00 0.00 C ATOM 276 C LEU A 20 -4.739 -6.782 4.394 1.00 0.00 C ATOM 277 O LEU A 20 -3.745 -7.039 3.714 1.00 0.00 O ATOM 278 CB LEU A 20 -4.534 -5.124 6.256 1.00 0.00 C ATOM 279 CG LEU A 20 -4.510 -3.672 6.735 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.428 -3.612 8.252 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.344 -2.922 6.106 1.00 0.00 C ATOM 0 H LEU A 20 -6.853 -4.604 5.570 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.522 -4.670 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.159 -5.700 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.524 -5.527 6.331 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.437 -3.191 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.412 -2.571 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.295 -4.112 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.518 -4.110 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.343 -1.890 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.407 -3.403 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.446 -2.935 5.021 1.00 0.00 H new ATOM 293 N SER A 21 -5.605 -7.710 4.789 1.00 0.00 N ATOM 294 CA SER A 21 -5.431 -9.116 4.441 1.00 0.00 C ATOM 295 C SER A 21 -5.589 -9.327 2.938 1.00 0.00 C ATOM 296 O SER A 21 -4.771 -9.991 2.303 1.00 0.00 O ATOM 297 CB SER A 21 -6.442 -9.979 5.198 1.00 0.00 C ATOM 298 OG SER A 21 -6.432 -11.313 4.720 1.00 0.00 O ATOM 0 H SER A 21 -6.434 -7.514 5.350 1.00 0.00 H new ATOM 0 HA SER A 21 -4.423 -9.414 4.728 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.208 -9.969 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.441 -9.557 5.087 1.00 0.00 H new ATOM 0 HG SER A 21 -7.085 -11.845 5.221 1.00 0.00 H new ATOM 304 N LYS A 22 -6.649 -8.755 2.376 1.00 0.00 N ATOM 305 CA LYS A 22 -6.917 -8.878 0.948 1.00 0.00 C ATOM 306 C LYS A 22 -5.672 -8.549 0.130 1.00 0.00 C ATOM 307 O LYS A 22 -5.412 -9.169 -0.902 1.00 0.00 O ATOM 308 CB LYS A 22 -8.066 -7.952 0.542 1.00 0.00 C ATOM 309 CG LYS A 22 -9.428 -8.625 0.569 1.00 0.00 C ATOM 310 CD LYS A 22 -9.909 -8.853 1.992 1.00 0.00 C ATOM 311 CE LYS A 22 -9.496 -10.222 2.508 1.00 0.00 C ATOM 312 NZ LYS A 22 -10.444 -11.287 2.078 1.00 0.00 N ATOM 0 H LYS A 22 -7.336 -8.202 2.888 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.201 -9.911 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.082 -7.092 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.878 -7.572 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.150 -8.008 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.374 -9.579 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.501 -8.080 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.995 -8.761 2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.495 -10.459 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.445 -10.199 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.100 -12.212 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.383 -11.102 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.512 -11.293 1.040 1.00 0.00 H new ATOM 326 N LEU A 23 -4.905 -7.570 0.598 1.00 0.00 N ATOM 327 CA LEU A 23 -3.685 -7.159 -0.089 1.00 0.00 C ATOM 328 C LEU A 23 -2.655 -8.285 -0.090 1.00 0.00 C ATOM 329 O LEU A 23 -2.099 -8.631 -1.133 1.00 0.00 O ATOM 330 CB LEU A 23 -3.097 -5.914 0.576 1.00 0.00 C ATOM 331 CG LEU A 23 -4.063 -4.750 0.795 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.344 -3.572 1.434 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.706 -4.335 -0.520 1.00 0.00 C ATOM 0 H LEU A 23 -5.106 -7.046 1.450 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.940 -6.925 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.684 -6.204 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.265 -5.560 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.850 -5.080 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.048 -2.753 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.933 -3.876 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.535 -3.242 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.391 -3.505 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.932 -4.024 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.257 -5.178 -0.937 1.00 0.00 H new ATOM 345 N LEU A 24 -2.407 -8.853 1.085 1.00 0.00 N ATOM 346 CA LEU A 24 -1.445 -9.941 1.220 1.00 0.00 C ATOM 347 C LEU A 24 -1.811 -11.108 0.307 1.00 0.00 C ATOM 348 O LEU A 24 -0.955 -11.657 -0.387 1.00 0.00 O ATOM 349 CB LEU A 24 -1.384 -10.416 2.673 1.00 0.00 C ATOM 350 CG LEU A 24 -0.774 -9.434 3.674 1.00 0.00 C ATOM 351 CD1 LEU A 24 -1.027 -9.900 5.100 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.718 -9.272 3.421 1.00 0.00 C ATOM 0 H LEU A 24 -2.858 -8.578 1.957 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.465 -9.566 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.396 -10.655 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.811 -11.343 2.708 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.252 -8.464 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.586 -9.189 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.101 -9.964 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.576 -10.881 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.135 -8.570 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.212 -10.238 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.877 -8.892 2.412 1.00 0.00 H new ATOM 364 N ARG A 25 -3.087 -11.479 0.312 1.00 0.00 N ATOM 365 CA ARG A 25 -3.566 -12.579 -0.516 1.00 0.00 C ATOM 366 C ARG A 25 -2.963 -12.508 -1.916 1.00 0.00 C ATOM 367 O ARG A 25 -2.610 -13.530 -2.502 1.00 0.00 O ATOM 368 CB ARG A 25 -5.093 -12.552 -0.604 1.00 0.00 C ATOM 369 CG ARG A 25 -5.780 -13.356 0.487 1.00 0.00 C ATOM 370 CD ARG A 25 -7.197 -13.738 0.089 1.00 0.00 C ATOM 371 NE ARG A 25 -7.236 -14.986 -0.669 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.313 -16.186 -0.106 1.00 0.00 C ATOM 373 NH1 ARG A 25 -7.360 -16.301 1.214 1.00 0.00 N ATOM 374 NH2 ARG A 25 -7.343 -17.275 -0.863 1.00 0.00 N ATOM 0 H ARG A 25 -3.808 -11.034 0.880 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.253 -13.514 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.433 -11.518 -0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.399 -12.939 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.203 -14.258 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.804 -12.775 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.810 -13.839 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.634 -12.938 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.202 -14.933 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.337 -15.466 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.419 -17.224 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.307 -17.191 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.402 -18.196 -0.429 1.00 0.00 H new ATOM 388 N GLU A 26 -2.850 -11.293 -2.445 1.00 0.00 N ATOM 389 CA GLU A 26 -2.291 -11.090 -3.776 1.00 0.00 C ATOM 390 C GLU A 26 -0.819 -11.490 -3.816 1.00 0.00 C ATOM 391 O GLU A 26 -0.051 -11.157 -2.914 1.00 0.00 O ATOM 392 CB GLU A 26 -2.445 -9.628 -4.200 1.00 0.00 C ATOM 393 CG GLU A 26 -3.890 -9.195 -4.382 1.00 0.00 C ATOM 394 CD GLU A 26 -4.398 -9.436 -5.790 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.155 -10.536 -6.328 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.038 -8.524 -6.354 1.00 0.00 O ATOM 0 H GLU A 26 -3.138 -10.436 -1.973 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.840 -11.723 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.975 -8.990 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.907 -9.471 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.519 -9.736 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.981 -8.135 -4.143 1.00 0.00 H new ATOM 403 N GLU A 27 -0.435 -12.207 -4.867 1.00 0.00 N ATOM 404 CA GLU A 27 0.944 -12.654 -5.024 1.00 0.00 C ATOM 405 C GLU A 27 1.912 -11.479 -4.916 1.00 0.00 C ATOM 406 O GLU A 27 3.045 -11.634 -4.459 1.00 0.00 O ATOM 407 CB GLU A 27 1.126 -13.357 -6.371 1.00 0.00 C ATOM 408 CG GLU A 27 2.197 -14.435 -6.354 1.00 0.00 C ATOM 409 CD GLU A 27 2.067 -15.404 -7.514 1.00 0.00 C ATOM 410 OE1 GLU A 27 2.481 -15.044 -8.636 1.00 0.00 O ATOM 411 OE2 GLU A 27 1.551 -16.521 -7.300 1.00 0.00 O ATOM 0 H GLU A 27 -1.059 -12.491 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 27 1.164 -13.359 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.178 -13.803 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.381 -12.615 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.180 -13.966 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.137 -14.987 -5.416 1.00 0.00 H new ATOM 418 N ASP A 28 1.458 -10.306 -5.342 1.00 0.00 N ATOM 419 CA ASP A 28 2.283 -9.104 -5.293 1.00 0.00 C ATOM 420 C ASP A 28 2.679 -8.774 -3.857 1.00 0.00 C ATOM 421 O ASP A 28 3.730 -8.184 -3.613 1.00 0.00 O ATOM 422 CB ASP A 28 1.536 -7.922 -5.914 1.00 0.00 C ATOM 423 CG ASP A 28 1.283 -8.112 -7.396 1.00 0.00 C ATOM 424 OD1 ASP A 28 2.267 -8.221 -8.158 1.00 0.00 O ATOM 425 OD2 ASP A 28 0.100 -8.151 -7.795 1.00 0.00 O ATOM 0 H ASP A 28 0.524 -10.161 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 28 3.191 -9.292 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.584 -7.787 -5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.113 -7.010 -5.761 1.00 0.00 H new ATOM 430 N ASN A 29 1.829 -9.159 -2.911 1.00 0.00 N ATOM 431 CA ASN A 29 2.089 -8.902 -1.499 1.00 0.00 C ATOM 432 C ASN A 29 2.127 -10.206 -0.708 1.00 0.00 C ATOM 433 O ASN A 29 1.842 -10.227 0.490 1.00 0.00 O ATOM 434 CB ASN A 29 1.019 -7.973 -0.922 1.00 0.00 C ATOM 435 CG ASN A 29 0.849 -6.708 -1.741 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.485 -6.539 -2.782 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.012 -5.812 -1.274 1.00 0.00 N ATOM 0 H ASN A 29 0.954 -9.650 -3.096 1.00 0.00 H new ATOM 0 HA ASN A 29 3.062 -8.418 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.068 -8.503 -0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.286 -7.707 0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.168 -4.942 -1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.517 -5.994 -0.407 1.00 0.00 H new ATOM 444 N LYS A 30 2.483 -11.293 -1.385 1.00 0.00 N ATOM 445 CA LYS A 30 2.561 -12.601 -0.746 1.00 0.00 C ATOM 446 C LYS A 30 3.868 -12.753 0.025 1.00 0.00 C ATOM 447 O LYS A 30 3.937 -13.486 1.011 1.00 0.00 O ATOM 448 CB LYS A 30 2.442 -13.710 -1.794 1.00 0.00 C ATOM 449 CG LYS A 30 1.021 -14.206 -1.997 1.00 0.00 C ATOM 450 CD LYS A 30 0.554 -15.055 -0.826 1.00 0.00 C ATOM 451 CE LYS A 30 -0.529 -16.037 -1.247 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.943 -16.921 -0.123 1.00 0.00 N ATOM 0 H LYS A 30 2.722 -11.293 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 30 1.733 -12.684 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.829 -13.343 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.071 -14.549 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.352 -13.355 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.966 -14.790 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.401 -15.601 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.173 -14.408 -0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.395 -15.487 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.165 -16.647 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.682 -17.575 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.122 -17.465 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.314 -16.341 0.656 1.00 0.00 H new ATOM 466 N TYR A 31 4.903 -12.055 -0.430 1.00 0.00 N ATOM 467 CA TYR A 31 6.208 -12.113 0.216 1.00 0.00 C ATOM 468 C TYR A 31 6.784 -10.713 0.409 1.00 0.00 C ATOM 469 O TYR A 31 6.263 -9.736 -0.128 1.00 0.00 O ATOM 470 CB TYR A 31 7.173 -12.964 -0.611 1.00 0.00 C ATOM 471 CG TYR A 31 6.575 -14.269 -1.085 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.552 -14.287 -2.026 1.00 0.00 C ATOM 473 CD2 TYR A 31 7.034 -15.485 -0.594 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.002 -15.477 -2.461 1.00 0.00 C ATOM 475 CE2 TYR A 31 6.491 -16.681 -1.025 1.00 0.00 C ATOM 476 CZ TYR A 31 5.475 -16.671 -1.958 1.00 0.00 C ATOM 477 OH TYR A 31 4.931 -17.859 -2.390 1.00 0.00 O ATOM 0 H TYR A 31 4.863 -11.442 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 31 6.079 -12.571 1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.501 -12.389 -1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.060 -13.176 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.181 -13.354 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.829 -15.496 0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.206 -15.473 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.860 -17.618 -0.634 1.00 0.00 H new ATOM 0 HH TYR A 31 5.377 -18.606 -1.939 1.00 0.00 H new ATOM 487 N CYS A 32 7.864 -10.626 1.178 1.00 0.00 N ATOM 488 CA CYS A 32 8.513 -9.347 1.443 1.00 0.00 C ATOM 489 C CYS A 32 8.859 -8.633 0.140 1.00 0.00 C ATOM 490 O CYS A 32 8.829 -9.231 -0.935 1.00 0.00 O ATOM 491 CB CYS A 32 9.779 -9.557 2.275 1.00 0.00 C ATOM 492 SG CYS A 32 10.492 -8.021 2.946 1.00 0.00 S ATOM 0 H CYS A 32 8.308 -11.426 1.629 1.00 0.00 H new ATOM 0 HA CYS A 32 7.817 -8.724 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.550 -10.230 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.528 -10.053 1.658 1.00 0.00 H new ATOM 497 N ALA A 33 9.189 -7.350 0.245 1.00 0.00 N ATOM 498 CA ALA A 33 9.544 -6.554 -0.924 1.00 0.00 C ATOM 499 C ALA A 33 11.057 -6.473 -1.094 1.00 0.00 C ATOM 500 O ALA A 33 11.552 -5.942 -2.088 1.00 0.00 O ATOM 501 CB ALA A 33 8.948 -5.159 -0.813 1.00 0.00 C ATOM 0 H ALA A 33 9.218 -6.839 1.128 1.00 0.00 H new ATOM 0 HA ALA A 33 9.131 -7.044 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.221 -4.576 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.862 -5.231 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.333 -4.669 0.081 1.00 0.00 H new ATOM 507 N ASP A 34 11.786 -7.003 -0.119 1.00 0.00 N ATOM 508 CA ASP A 34 13.244 -6.991 -0.161 1.00 0.00 C ATOM 509 C ASP A 34 13.798 -8.412 -0.205 1.00 0.00 C ATOM 510 O ASP A 34 14.570 -8.761 -1.099 1.00 0.00 O ATOM 511 CB ASP A 34 13.805 -6.249 1.053 1.00 0.00 C ATOM 512 CG ASP A 34 13.301 -4.822 1.143 1.00 0.00 C ATOM 513 OD1 ASP A 34 13.506 -4.059 0.175 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.702 -4.468 2.179 1.00 0.00 O ATOM 0 H ASP A 34 11.392 -7.447 0.711 1.00 0.00 H new ATOM 0 HA ASP A 34 13.552 -6.472 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.532 -6.786 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.894 -6.244 1.001 1.00 0.00 H new ATOM 519 N CYS A 35 13.400 -9.227 0.766 1.00 0.00 N ATOM 520 CA CYS A 35 13.857 -10.609 0.840 1.00 0.00 C ATOM 521 C CYS A 35 12.744 -11.573 0.438 1.00 0.00 C ATOM 522 O CYS A 35 12.888 -12.788 0.562 1.00 0.00 O ATOM 523 CB CYS A 35 14.341 -10.933 2.255 1.00 0.00 C ATOM 524 SG CYS A 35 13.020 -10.935 3.510 1.00 0.00 S ATOM 0 H CYS A 35 12.761 -8.954 1.513 1.00 0.00 H new ATOM 0 HA CYS A 35 14.686 -10.729 0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.822 -11.911 2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.100 -10.206 2.543 1.00 0.00 H new ATOM 529 N GLU A 36 11.636 -11.019 -0.044 1.00 0.00 N ATOM 530 CA GLU A 36 10.498 -11.830 -0.463 1.00 0.00 C ATOM 531 C GLU A 36 10.292 -13.009 0.483 1.00 0.00 C ATOM 532 O GLU A 36 10.107 -14.144 0.046 1.00 0.00 O ATOM 533 CB GLU A 36 10.705 -12.338 -1.892 1.00 0.00 C ATOM 534 CG GLU A 36 11.859 -13.317 -2.028 1.00 0.00 C ATOM 535 CD GLU A 36 11.669 -14.287 -3.178 1.00 0.00 C ATOM 536 OE1 GLU A 36 10.512 -14.482 -3.605 1.00 0.00 O ATOM 537 OE2 GLU A 36 12.678 -14.850 -3.652 1.00 0.00 O ATOM 0 H GLU A 36 11.502 -10.014 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 36 9.607 -11.203 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.789 -12.819 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.882 -11.487 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.786 -12.762 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.967 -13.877 -1.099 1.00 0.00 H new ATOM 544 N ALA A 37 10.326 -12.730 1.782 1.00 0.00 N ATOM 545 CA ALA A 37 10.141 -13.766 2.791 1.00 0.00 C ATOM 546 C ALA A 37 8.755 -14.393 2.687 1.00 0.00 C ATOM 547 O ALA A 37 7.847 -13.820 2.084 1.00 0.00 O ATOM 548 CB ALA A 37 10.360 -13.193 4.183 1.00 0.00 C ATOM 0 H ALA A 37 10.480 -11.795 2.160 1.00 0.00 H new ATOM 0 HA ALA A 37 10.879 -14.548 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.219 -13.978 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.374 -12.800 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.645 -12.390 4.363 1.00 0.00 H new ATOM 554 N LYS A 38 8.598 -15.573 3.277 1.00 0.00 N ATOM 555 CA LYS A 38 7.322 -16.278 3.252 1.00 0.00 C ATOM 556 C LYS A 38 6.453 -15.873 4.438 1.00 0.00 C ATOM 557 O LYS A 38 6.674 -16.319 5.563 1.00 0.00 O ATOM 558 CB LYS A 38 7.552 -17.791 3.268 1.00 0.00 C ATOM 559 CG LYS A 38 7.666 -18.404 1.883 1.00 0.00 C ATOM 560 CD LYS A 38 8.542 -19.645 1.892 1.00 0.00 C ATOM 561 CE LYS A 38 10.017 -19.285 1.986 1.00 0.00 C ATOM 562 NZ LYS A 38 10.802 -20.342 2.683 1.00 0.00 N ATOM 0 H LYS A 38 9.339 -16.062 3.779 1.00 0.00 H new ATOM 0 HA LYS A 38 6.802 -16.005 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.463 -18.006 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.730 -18.269 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.673 -18.662 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.081 -17.670 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.267 -20.280 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.365 -20.224 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.419 -19.135 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.127 -18.340 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.802 -20.060 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.435 -20.468 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.718 -21.238 2.161 1.00 0.00 H new ATOM 576 N GLY A 39 5.462 -15.025 4.178 1.00 0.00 N ATOM 577 CA GLY A 39 4.574 -14.576 5.234 1.00 0.00 C ATOM 578 C GLY A 39 4.993 -13.239 5.814 1.00 0.00 C ATOM 579 O GLY A 39 5.425 -13.145 6.963 1.00 0.00 O ATOM 0 H GLY A 39 5.259 -14.641 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.560 -14.497 4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.552 -15.322 6.028 1.00 0.00 H new ATOM 583 N PRO A 40 4.868 -12.175 5.007 1.00 0.00 N ATOM 584 CA PRO A 40 5.233 -10.818 5.425 1.00 0.00 C ATOM 585 C PRO A 40 4.278 -10.258 6.475 1.00 0.00 C ATOM 586 O PRO A 40 3.356 -9.508 6.152 1.00 0.00 O ATOM 587 CB PRO A 40 5.136 -10.009 4.129 1.00 0.00 C ATOM 588 CG PRO A 40 4.167 -10.762 3.285 1.00 0.00 C ATOM 589 CD PRO A 40 4.360 -12.214 3.626 1.00 0.00 C ATOM 0 HA PRO A 40 6.218 -10.786 5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.789 -8.994 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.107 -9.927 3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.144 -10.446 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.351 -10.582 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.425 -12.771 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.068 -12.695 2.951 1.00 0.00 H new ATOM 597 N ARG A 41 4.505 -10.627 7.731 1.00 0.00 N ATOM 598 CA ARG A 41 3.664 -10.162 8.827 1.00 0.00 C ATOM 599 C ARG A 41 3.700 -8.640 8.933 1.00 0.00 C ATOM 600 O ARG A 41 2.675 -7.973 8.790 1.00 0.00 O ATOM 601 CB ARG A 41 4.119 -10.786 10.148 1.00 0.00 C ATOM 602 CG ARG A 41 2.989 -10.999 11.142 1.00 0.00 C ATOM 603 CD ARG A 41 2.293 -9.691 11.483 1.00 0.00 C ATOM 604 NE ARG A 41 1.660 -9.733 12.798 1.00 0.00 N ATOM 605 CZ ARG A 41 2.334 -9.889 13.933 1.00 0.00 C ATOM 606 NH1 ARG A 41 3.653 -10.016 13.912 1.00 0.00 N ATOM 607 NH2 ARG A 41 1.687 -9.918 15.091 1.00 0.00 N ATOM 0 H ARG A 41 5.264 -11.246 8.015 1.00 0.00 H new ATOM 0 HA ARG A 41 2.639 -10.471 8.621 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.596 -11.744 9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.875 -10.145 10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.265 -11.700 10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.384 -11.450 12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.018 -8.877 11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.540 -9.473 10.725 1.00 0.00 H new ATOM 0 HE ARG A 41 0.646 -9.637 12.848 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.153 -9.994 13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.168 -10.136 14.784 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.672 -9.821 15.111 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.205 -10.038 15.962 1.00 0.00 H new ATOM 621 N TRP A 42 4.886 -8.098 9.184 1.00 0.00 N ATOM 622 CA TRP A 42 5.056 -6.655 9.309 1.00 0.00 C ATOM 623 C TRP A 42 4.827 -5.962 7.970 1.00 0.00 C ATOM 624 O TRP A 42 4.779 -6.610 6.925 1.00 0.00 O ATOM 625 CB TRP A 42 6.455 -6.328 9.834 1.00 0.00 C ATOM 626 CG TRP A 42 6.680 -6.780 11.245 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.839 -8.066 11.678 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.769 -5.949 12.407 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.021 -8.084 13.040 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.984 -6.798 13.511 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.690 -4.571 12.623 1.00 0.00 C ATOM 632 CZ2 TRP A 42 7.119 -6.311 14.808 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.825 -4.089 13.911 1.00 0.00 C ATOM 634 CH2 TRP A 42 7.038 -4.957 14.991 1.00 0.00 C ATOM 0 H TRP A 42 5.744 -8.636 9.305 1.00 0.00 H new ATOM 0 HA TRP A 42 4.315 -6.288 10.019 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.197 -6.797 9.187 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.615 -5.251 9.775 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.824 -8.940 11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.161 -8.919 13.608 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.526 -3.894 11.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.282 -6.979 15.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.765 -3.025 14.089 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.140 -4.550 15.986 1.00 0.00 H new ATOM 645 N ALA A 43 4.687 -4.641 8.009 1.00 0.00 N ATOM 646 CA ALA A 43 4.466 -3.860 6.797 1.00 0.00 C ATOM 647 C ALA A 43 4.731 -2.379 7.043 1.00 0.00 C ATOM 648 O ALA A 43 4.393 -1.845 8.100 1.00 0.00 O ATOM 649 CB ALA A 43 3.048 -4.068 6.287 1.00 0.00 C ATOM 0 H ALA A 43 4.723 -4.089 8.866 1.00 0.00 H new ATOM 0 HA ALA A 43 5.167 -4.206 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.897 -3.479 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.893 -5.123 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.337 -3.750 7.050 1.00 0.00 H new ATOM 655 N SER A 44 5.338 -1.720 6.061 1.00 0.00 N ATOM 656 CA SER A 44 5.652 -0.300 6.173 1.00 0.00 C ATOM 657 C SER A 44 4.638 0.543 5.406 1.00 0.00 C ATOM 658 O SER A 44 4.692 0.635 4.180 1.00 0.00 O ATOM 659 CB SER A 44 7.062 -0.025 5.648 1.00 0.00 C ATOM 660 OG SER A 44 8.020 -0.109 6.689 1.00 0.00 O ATOM 0 H SER A 44 5.622 -2.146 5.179 1.00 0.00 H new ATOM 0 HA SER A 44 5.604 -0.025 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.308 -0.742 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.098 0.966 5.196 1.00 0.00 H new ATOM 0 HG SER A 44 8.523 0.731 6.740 1.00 0.00 H new ATOM 666 N TRP A 45 3.713 1.155 6.137 1.00 0.00 N ATOM 667 CA TRP A 45 2.686 1.991 5.527 1.00 0.00 C ATOM 668 C TRP A 45 3.305 3.213 4.858 1.00 0.00 C ATOM 669 O TRP A 45 3.068 3.473 3.679 1.00 0.00 O ATOM 670 CB TRP A 45 1.666 2.431 6.578 1.00 0.00 C ATOM 671 CG TRP A 45 2.234 3.370 7.600 1.00 0.00 C ATOM 672 CD1 TRP A 45 2.920 3.032 8.731 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.162 4.799 7.583 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.279 4.166 9.419 1.00 0.00 N ATOM 675 CE2 TRP A 45 2.827 5.263 8.735 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.603 5.733 6.706 1.00 0.00 C ATOM 677 CZ2 TRP A 45 2.945 6.619 9.031 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.721 7.078 7.001 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.388 7.511 8.155 1.00 0.00 C ATOM 0 H TRP A 45 3.653 1.088 7.153 1.00 0.00 H new ATOM 0 HA TRP A 45 2.179 1.401 4.764 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.826 2.914 6.079 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.273 1.549 7.084 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.147 2.022 9.039 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.798 4.187 10.297 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.088 5.409 5.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.458 6.955 9.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.292 7.808 6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.464 8.569 8.357 1.00 0.00 H new ATOM 690 N ASN A 46 4.098 3.960 5.618 1.00 0.00 N ATOM 691 CA ASN A 46 4.751 5.156 5.098 1.00 0.00 C ATOM 692 C ASN A 46 5.218 4.939 3.662 1.00 0.00 C ATOM 693 O ASN A 46 5.078 5.821 2.813 1.00 0.00 O ATOM 694 CB ASN A 46 5.941 5.538 5.981 1.00 0.00 C ATOM 695 CG ASN A 46 6.766 6.661 5.384 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.809 6.301 4.645 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 6.470 7.839 5.585 1.00 0.00 N flip ATOM 0 H ASN A 46 4.304 3.759 6.596 1.00 0.00 H new ATOM 0 HA ASN A 46 4.025 5.969 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.579 5.840 6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.575 4.664 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.660 8.070 6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.035 8.584 5.177 1.00 0.00 H new ATOM 704 N ILE A 47 5.773 3.761 3.397 1.00 0.00 N ATOM 705 CA ILE A 47 6.259 3.428 2.064 1.00 0.00 C ATOM 706 C ILE A 47 5.151 2.819 1.211 1.00 0.00 C ATOM 707 O ILE A 47 5.036 3.113 0.022 1.00 0.00 O ATOM 708 CB ILE A 47 7.443 2.446 2.125 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.576 3.030 2.971 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.935 2.121 0.723 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.745 2.088 3.149 1.00 0.00 C ATOM 0 H ILE A 47 5.897 3.021 4.088 1.00 0.00 H new ATOM 0 HA ILE A 47 6.594 4.360 1.609 1.00 0.00 H new ATOM 0 HB ILE A 47 7.105 1.522 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.929 3.950 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.184 3.299 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.772 1.426 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.127 1.667 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.259 3.037 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.510 2.569 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.406 1.177 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.163 1.838 2.174 1.00 0.00 H new ATOM 723 N GLY A 48 4.335 1.970 1.828 1.00 0.00 N ATOM 724 CA GLY A 48 3.245 1.334 1.111 1.00 0.00 C ATOM 725 C GLY A 48 3.620 -0.037 0.583 1.00 0.00 C ATOM 726 O GLY A 48 3.379 -0.348 -0.583 1.00 0.00 O ATOM 0 H GLY A 48 4.409 1.711 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.384 1.242 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.941 1.970 0.279 1.00 0.00 H new ATOM 730 N VAL A 49 4.214 -0.858 1.443 1.00 0.00 N ATOM 731 CA VAL A 49 4.624 -2.203 1.057 1.00 0.00 C ATOM 732 C VAL A 49 4.718 -3.119 2.272 1.00 0.00 C ATOM 733 O VAL A 49 4.922 -2.659 3.396 1.00 0.00 O ATOM 734 CB VAL A 49 5.983 -2.189 0.332 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.922 -1.296 -0.898 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.086 -1.737 1.276 1.00 0.00 C ATOM 0 H VAL A 49 4.422 -0.615 2.412 1.00 0.00 H new ATOM 0 HA VAL A 49 3.862 -2.583 0.377 1.00 0.00 H new ATOM 0 HB VAL A 49 6.211 -3.203 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.891 -1.298 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.160 -1.670 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.671 -0.279 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.039 -1.733 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.867 -0.732 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.144 -2.421 2.122 1.00 0.00 H new ATOM 746 N PHE A 50 4.569 -4.419 2.040 1.00 0.00 N ATOM 747 CA PHE A 50 4.637 -5.401 3.116 1.00 0.00 C ATOM 748 C PHE A 50 6.028 -6.023 3.197 1.00 0.00 C ATOM 749 O PHE A 50 6.549 -6.537 2.207 1.00 0.00 O ATOM 750 CB PHE A 50 3.589 -6.495 2.903 1.00 0.00 C ATOM 751 CG PHE A 50 2.178 -5.981 2.902 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.609 -5.483 1.741 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.420 -5.996 4.062 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.311 -5.008 1.738 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.121 -5.523 4.064 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.434 -5.030 2.900 1.00 0.00 C ATOM 0 H PHE A 50 4.400 -4.817 1.116 1.00 0.00 H new ATOM 0 HA PHE A 50 4.432 -4.888 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.786 -6.996 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.694 -7.245 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.186 -5.466 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.849 -6.382 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.120 -4.620 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.459 -5.539 4.975 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.449 -4.662 2.898 1.00 0.00 H new ATOM 766 N ILE A 51 6.624 -5.971 4.384 1.00 0.00 N ATOM 767 CA ILE A 51 7.954 -6.529 4.595 1.00 0.00 C ATOM 768 C ILE A 51 7.967 -7.484 5.784 1.00 0.00 C ATOM 769 O ILE A 51 6.994 -7.573 6.533 1.00 0.00 O ATOM 770 CB ILE A 51 8.999 -5.422 4.829 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.545 -4.492 5.956 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.233 -4.635 3.548 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.594 -3.483 6.367 1.00 0.00 C ATOM 0 H ILE A 51 6.207 -5.548 5.213 1.00 0.00 H new ATOM 0 HA ILE A 51 8.214 -7.076 3.689 1.00 0.00 H new ATOM 0 HB ILE A 51 9.940 -5.887 5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.647 -3.962 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.271 -5.093 6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.974 -3.856 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.595 -5.306 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.297 -4.178 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.203 -2.858 7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.485 -4.006 6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.851 -2.857 5.512 1.00 0.00 H new ATOM 785 N CYS A 52 9.077 -8.195 5.952 1.00 0.00 N ATOM 786 CA CYS A 52 9.218 -9.143 7.051 1.00 0.00 C ATOM 787 C CYS A 52 9.758 -8.452 8.300 1.00 0.00 C ATOM 788 O CYS A 52 10.153 -7.286 8.255 1.00 0.00 O ATOM 789 CB CYS A 52 10.148 -10.289 6.647 1.00 0.00 C ATOM 790 SG CYS A 52 11.856 -9.769 6.287 1.00 0.00 S ATOM 0 H CYS A 52 9.892 -8.133 5.341 1.00 0.00 H new ATOM 0 HA CYS A 52 8.231 -9.547 7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.166 -11.028 7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.737 -10.783 5.767 1.00 0.00 H new ATOM 795 N ILE A 53 9.773 -9.179 9.412 1.00 0.00 N ATOM 796 CA ILE A 53 10.265 -8.636 10.672 1.00 0.00 C ATOM 797 C ILE A 53 11.749 -8.297 10.582 1.00 0.00 C ATOM 798 O ILE A 53 12.212 -7.327 11.183 1.00 0.00 O ATOM 799 CB ILE A 53 10.046 -9.623 11.834 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.630 -9.057 13.130 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.671 -10.971 11.508 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.713 -8.079 13.830 1.00 0.00 C ATOM 0 H ILE A 53 9.450 -10.145 9.466 1.00 0.00 H new ATOM 0 HA ILE A 53 9.697 -7.726 10.866 1.00 0.00 H new ATOM 0 HB ILE A 53 8.974 -9.766 11.974 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.855 -9.881 13.808 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.575 -8.561 12.907 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.508 -11.658 12.338 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.212 -11.376 10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.741 -10.846 11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.192 -7.719 14.740 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.508 -7.236 13.170 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.777 -8.576 14.085 1.00 0.00 H new ATOM 814 N ARG A 54 12.489 -9.100 9.825 1.00 0.00 N ATOM 815 CA ARG A 54 13.921 -8.884 9.655 1.00 0.00 C ATOM 816 C ARG A 54 14.195 -7.520 9.028 1.00 0.00 C ATOM 817 O ARG A 54 14.810 -6.652 9.648 1.00 0.00 O ATOM 818 CB ARG A 54 14.525 -9.988 8.785 1.00 0.00 C ATOM 819 CG ARG A 54 16.029 -9.867 8.605 1.00 0.00 C ATOM 820 CD ARG A 54 16.380 -9.053 7.370 1.00 0.00 C ATOM 821 NE ARG A 54 16.129 -9.794 6.137 1.00 0.00 N ATOM 822 CZ ARG A 54 16.973 -10.686 5.631 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.116 -10.947 6.249 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.674 -11.320 4.504 1.00 0.00 N ATOM 0 H ARG A 54 12.121 -9.906 9.320 1.00 0.00 H new ATOM 0 HA ARG A 54 14.386 -8.911 10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.298 -10.956 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.048 -9.969 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.465 -9.398 9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.468 -10.861 8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.797 -8.132 7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.430 -8.765 7.412 1.00 0.00 H new ATOM 0 HE ARG A 54 15.258 -9.617 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.349 -10.462 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.762 -11.633 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.795 -11.122 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.323 -12.005 4.116 1.00 0.00 H new ATOM 838 N CYS A 55 13.734 -7.339 7.795 1.00 0.00 N ATOM 839 CA CYS A 55 13.929 -6.082 7.082 1.00 0.00 C ATOM 840 C CYS A 55 13.383 -4.908 7.890 1.00 0.00 C ATOM 841 O CYS A 55 13.958 -3.820 7.890 1.00 0.00 O ATOM 842 CB CYS A 55 13.247 -6.136 5.714 1.00 0.00 C ATOM 843 SG CYS A 55 14.035 -7.279 4.534 1.00 0.00 S ATOM 0 H CYS A 55 13.223 -8.047 7.269 1.00 0.00 H new ATOM 0 HA CYS A 55 15.000 -5.936 6.940 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.207 -6.432 5.850 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.240 -5.135 5.284 1.00 0.00 H new ATOM 848 N ALA A 56 12.268 -5.138 8.576 1.00 0.00 N ATOM 849 CA ALA A 56 11.645 -4.101 9.390 1.00 0.00 C ATOM 850 C ALA A 56 12.658 -3.459 10.331 1.00 0.00 C ATOM 851 O ALA A 56 12.776 -2.236 10.391 1.00 0.00 O ATOM 852 CB ALA A 56 10.480 -4.679 10.179 1.00 0.00 C ATOM 0 H ALA A 56 11.778 -6.033 8.584 1.00 0.00 H new ATOM 0 HA ALA A 56 11.268 -3.326 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.024 -3.894 10.782 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.739 -5.084 9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.841 -5.474 10.831 1.00 0.00 H new ATOM 858 N GLY A 57 13.387 -4.293 11.067 1.00 0.00 N ATOM 859 CA GLY A 57 14.380 -3.787 11.997 1.00 0.00 C ATOM 860 C GLY A 57 15.265 -2.723 11.378 1.00 0.00 C ATOM 861 O GLY A 57 15.580 -1.720 12.018 1.00 0.00 O ATOM 0 H GLY A 57 13.308 -5.309 11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.877 -3.373 12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.000 -4.613 12.347 1.00 0.00 H new ATOM 865 N ILE A 58 15.667 -2.943 10.131 1.00 0.00 N ATOM 866 CA ILE A 58 16.522 -1.994 9.427 1.00 0.00 C ATOM 867 C ILE A 58 15.768 -0.708 9.106 1.00 0.00 C ATOM 868 O ILE A 58 16.298 0.391 9.267 1.00 0.00 O ATOM 869 CB ILE A 58 17.070 -2.595 8.119 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.951 -3.810 8.419 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.852 -1.546 7.342 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.195 -5.120 8.413 1.00 0.00 C ATOM 0 H ILE A 58 15.415 -3.769 9.588 1.00 0.00 H new ATOM 0 HA ILE A 58 17.356 -1.767 10.091 1.00 0.00 H new ATOM 0 HB ILE A 58 16.230 -2.922 7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.752 -3.859 7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.422 -3.676 9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.233 -1.985 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.197 -0.708 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.686 -1.192 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.882 -5.937 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.411 -5.091 9.170 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.747 -5.277 7.432 1.00 0.00 H new ATOM 884 N HIS A 59 14.527 -0.854 8.652 1.00 0.00 N ATOM 885 CA HIS A 59 13.698 0.297 8.310 1.00 0.00 C ATOM 886 C HIS A 59 13.649 1.293 9.465 1.00 0.00 C ATOM 887 O HIS A 59 13.913 2.481 9.284 1.00 0.00 O ATOM 888 CB HIS A 59 12.283 -0.156 7.951 1.00 0.00 C ATOM 889 CG HIS A 59 12.137 -0.592 6.526 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.600 0.214 5.544 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.463 -1.756 5.918 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.600 -0.436 4.394 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.119 -1.635 4.594 1.00 0.00 N ATOM 0 H HIS A 59 14.074 -1.757 8.512 1.00 0.00 H new ATOM 0 HA HIS A 59 14.143 0.791 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.997 -0.980 8.605 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.588 0.661 8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.911 -2.620 6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.238 -0.053 3.451 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.244 -2.354 3.881 1.00 0.00 H new ATOM 901 N ARG A 60 13.308 0.799 10.651 1.00 0.00 N ATOM 902 CA ARG A 60 13.222 1.647 11.835 1.00 0.00 C ATOM 903 C ARG A 60 14.457 2.535 11.958 1.00 0.00 C ATOM 904 O ARG A 60 14.348 3.734 12.212 1.00 0.00 O ATOM 905 CB ARG A 60 13.071 0.789 13.092 1.00 0.00 C ATOM 906 CG ARG A 60 12.172 -0.422 12.899 1.00 0.00 C ATOM 907 CD ARG A 60 11.802 -1.059 14.229 1.00 0.00 C ATOM 908 NE ARG A 60 12.824 -1.997 14.689 1.00 0.00 N ATOM 909 CZ ARG A 60 13.896 -1.633 15.384 1.00 0.00 C ATOM 910 NH1 ARG A 60 14.085 -0.359 15.698 1.00 0.00 N ATOM 911 NH2 ARG A 60 14.780 -2.545 15.767 1.00 0.00 N ATOM 0 H ARG A 60 13.087 -0.183 10.818 1.00 0.00 H new ATOM 0 HA ARG A 60 12.345 2.286 11.731 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.057 0.452 13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.669 1.405 13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.265 -0.123 12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.678 -1.156 12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.662 -0.280 14.978 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.850 -1.580 14.129 1.00 0.00 H new ATOM 0 HE ARG A 60 12.708 -2.985 14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.406 0.344 15.406 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.909 -0.082 16.232 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.637 -3.526 15.528 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.603 -2.265 16.301 1.00 0.00 H new ATOM 925 N ASN A 61 15.630 1.938 11.777 1.00 0.00 N ATOM 926 CA ASN A 61 16.885 2.675 11.869 1.00 0.00 C ATOM 927 C ASN A 61 16.901 3.846 10.892 1.00 0.00 C ATOM 928 O ASN A 61 17.198 4.980 11.270 1.00 0.00 O ATOM 929 CB ASN A 61 18.068 1.745 11.588 1.00 0.00 C ATOM 930 CG ASN A 61 18.093 0.545 12.515 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.409 -0.621 11.964 1.00 0.00 O flip ATOM 932 ND2 ASN A 61 17.833 0.666 13.712 1.00 0.00 N flip ATOM 0 H ASN A 61 15.738 0.946 11.566 1.00 0.00 H new ATOM 0 HA ASN A 61 16.973 3.069 12.882 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.019 1.401 10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.998 2.303 11.695 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.595 1.582 14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 61 17.855 -0.150 14.324 1.00 0.00 H new ATOM 939 N LEU A 62 16.580 3.565 9.634 1.00 0.00 N ATOM 940 CA LEU A 62 16.556 4.595 8.602 1.00 0.00 C ATOM 941 C LEU A 62 16.082 5.928 9.173 1.00 0.00 C ATOM 942 O LEU A 62 16.787 6.933 9.097 1.00 0.00 O ATOM 943 CB LEU A 62 15.645 4.168 7.449 1.00 0.00 C ATOM 944 CG LEU A 62 15.918 2.786 6.854 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.018 2.534 5.655 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.382 2.653 6.462 1.00 0.00 C ATOM 0 H LEU A 62 16.333 2.632 9.304 1.00 0.00 H new ATOM 0 HA LEU A 62 17.571 4.722 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.613 4.193 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.730 4.907 6.653 1.00 0.00 H new ATOM 0 HG LEU A 62 15.697 2.035 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.227 1.546 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.975 2.585 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.207 3.290 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.557 1.663 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.631 3.412 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.008 2.788 7.344 1.00 0.00 H new ATOM 958 N GLY A 63 14.882 5.927 9.746 1.00 0.00 N ATOM 959 CA GLY A 63 14.336 7.141 10.324 1.00 0.00 C ATOM 960 C GLY A 63 12.838 7.256 10.120 1.00 0.00 C ATOM 961 O GLY A 63 12.334 7.027 9.021 1.00 0.00 O ATOM 0 H GLY A 63 14.279 5.108 9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.557 7.163 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.828 8.005 9.878 1.00 0.00 H new ATOM 965 N VAL A 64 12.123 7.612 11.183 1.00 0.00 N ATOM 966 CA VAL A 64 10.674 7.757 11.116 1.00 0.00 C ATOM 967 C VAL A 64 10.259 8.571 9.896 1.00 0.00 C ATOM 968 O VAL A 64 9.214 8.320 9.294 1.00 0.00 O ATOM 969 CB VAL A 64 10.119 8.433 12.384 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.339 7.548 13.601 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.759 9.798 12.583 1.00 0.00 C ATOM 0 H VAL A 64 12.524 7.805 12.101 1.00 0.00 H new ATOM 0 HA VAL A 64 10.258 6.752 11.037 1.00 0.00 H new ATOM 0 HB VAL A 64 9.046 8.576 12.259 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.941 8.042 14.487 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.828 6.596 13.456 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.406 7.371 13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.355 10.261 13.483 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.838 9.682 12.687 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.543 10.430 11.722 1.00 0.00 H new ATOM 981 N HIS A 65 11.085 9.549 9.534 1.00 0.00 N ATOM 982 CA HIS A 65 10.804 10.400 8.384 1.00 0.00 C ATOM 983 C HIS A 65 10.918 9.611 7.083 1.00 0.00 C ATOM 984 O HIS A 65 10.125 9.800 6.160 1.00 0.00 O ATOM 985 CB HIS A 65 11.764 11.590 8.358 1.00 0.00 C ATOM 986 CG HIS A 65 13.204 11.202 8.499 1.00 0.00 C ATOM 987 ND1 HIS A 65 13.761 10.804 9.696 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.201 11.150 7.586 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.040 10.527 9.513 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.332 10.728 8.240 1.00 0.00 N ATOM 0 H HIS A 65 11.953 9.771 10.021 1.00 0.00 H new ATOM 0 HA HIS A 65 9.782 10.768 8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.632 12.132 7.421 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.501 12.276 9.163 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.122 11.395 6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.729 10.193 10.274 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.248 10.592 7.813 1.00 0.00 H new ATOM 998 N ILE A 66 11.909 8.728 7.017 1.00 0.00 N ATOM 999 CA ILE A 66 12.125 7.911 5.830 1.00 0.00 C ATOM 1000 C ILE A 66 11.087 6.798 5.732 1.00 0.00 C ATOM 1001 O ILE A 66 10.574 6.507 4.652 1.00 0.00 O ATOM 1002 CB ILE A 66 13.533 7.286 5.825 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.599 8.379 5.717 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.668 6.292 4.682 1.00 0.00 C ATOM 1005 CD1 ILE A 66 15.895 8.030 6.416 1.00 0.00 C ATOM 0 H ILE A 66 12.575 8.560 7.772 1.00 0.00 H new ATOM 0 HA ILE A 66 12.027 8.573 4.970 1.00 0.00 H new ATOM 0 HB ILE A 66 13.681 6.752 6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.804 8.573 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.205 9.303 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.668 5.859 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.929 5.500 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.504 6.804 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.604 8.850 6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.704 7.865 7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.312 7.124 5.977 1.00 0.00 H new ATOM 1017 N SER A 67 10.782 6.179 6.868 1.00 0.00 N ATOM 1018 CA SER A 67 9.806 5.096 6.911 1.00 0.00 C ATOM 1019 C SER A 67 9.447 4.745 8.351 1.00 0.00 C ATOM 1020 O SER A 67 10.310 4.718 9.229 1.00 0.00 O ATOM 1021 CB SER A 67 10.353 3.860 6.194 1.00 0.00 C ATOM 1022 OG SER A 67 9.490 2.749 6.363 1.00 0.00 O ATOM 0 H SER A 67 11.197 6.409 7.771 1.00 0.00 H new ATOM 0 HA SER A 67 8.903 5.433 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.471 4.074 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.342 3.618 6.582 1.00 0.00 H new ATOM 0 HG SER A 67 9.950 1.932 6.078 1.00 0.00 H new ATOM 1028 N ARG A 68 8.167 4.477 8.586 1.00 0.00 N ATOM 1029 CA ARG A 68 7.692 4.128 9.920 1.00 0.00 C ATOM 1030 C ARG A 68 7.218 2.678 9.966 1.00 0.00 C ATOM 1031 O ARG A 68 6.135 2.352 9.479 1.00 0.00 O ATOM 1032 CB ARG A 68 6.554 5.062 10.339 1.00 0.00 C ATOM 1033 CG ARG A 68 7.025 6.443 10.763 1.00 0.00 C ATOM 1034 CD ARG A 68 6.085 7.062 11.786 1.00 0.00 C ATOM 1035 NE ARG A 68 6.389 6.623 13.145 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.813 7.132 14.228 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.907 8.092 14.111 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.142 6.679 15.431 1.00 0.00 N ATOM 0 H ARG A 68 7.440 4.495 7.871 1.00 0.00 H new ATOM 0 HA ARG A 68 8.523 4.243 10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.855 5.165 9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.005 4.606 11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.028 6.373 11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.091 7.091 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.155 8.148 11.732 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.057 6.796 11.541 1.00 0.00 H new ATOM 0 HE ARG A 68 7.082 5.885 13.269 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.651 8.442 13.188 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.466 8.481 14.944 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.838 5.939 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.699 7.071 16.262 1.00 0.00 H new ATOM 1052 N VAL A 69 8.036 1.813 10.556 1.00 0.00 N ATOM 1053 CA VAL A 69 7.700 0.398 10.668 1.00 0.00 C ATOM 1054 C VAL A 69 6.656 0.165 11.753 1.00 0.00 C ATOM 1055 O VAL A 69 6.703 0.780 12.818 1.00 0.00 O ATOM 1056 CB VAL A 69 8.947 -0.451 10.979 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.577 -1.923 11.088 1.00 0.00 C ATOM 1058 CG2 VAL A 69 10.014 -0.239 9.916 1.00 0.00 C ATOM 0 H VAL A 69 8.936 2.067 10.964 1.00 0.00 H new ATOM 0 HA VAL A 69 7.292 0.092 9.705 1.00 0.00 H new ATOM 0 HB VAL A 69 9.353 -0.131 11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.470 -2.507 11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.849 -2.057 11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.146 -2.260 10.146 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.888 -0.846 10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.621 -0.531 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.299 0.813 9.891 1.00 0.00 H new ATOM 1068 N LYS A 70 5.713 -0.730 11.477 1.00 0.00 N ATOM 1069 CA LYS A 70 4.656 -1.048 12.430 1.00 0.00 C ATOM 1070 C LYS A 70 3.881 -2.285 11.990 1.00 0.00 C ATOM 1071 O LYS A 70 3.729 -2.542 10.795 1.00 0.00 O ATOM 1072 CB LYS A 70 3.701 0.139 12.579 1.00 0.00 C ATOM 1073 CG LYS A 70 2.789 0.340 11.381 1.00 0.00 C ATOM 1074 CD LYS A 70 1.506 1.054 11.771 1.00 0.00 C ATOM 1075 CE LYS A 70 1.760 2.518 12.097 1.00 0.00 C ATOM 1076 NZ LYS A 70 2.209 2.703 13.504 1.00 0.00 N ATOM 0 H LYS A 70 5.659 -1.248 10.600 1.00 0.00 H new ATOM 0 HA LYS A 70 5.121 -1.256 13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.090 -0.007 13.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.284 1.046 12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.311 0.918 10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.549 -0.627 10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.786 0.981 10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.061 0.560 12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.516 2.915 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.848 3.091 11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.659 3.467 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.064 1.820 14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.219 2.952 13.516 1.00 0.00 H new ATOM 1090 N SER A 71 3.392 -3.048 12.962 1.00 0.00 N ATOM 1091 CA SER A 71 2.634 -4.260 12.674 1.00 0.00 C ATOM 1092 C SER A 71 1.391 -3.941 11.848 1.00 0.00 C ATOM 1093 O SER A 71 0.922 -2.803 11.826 1.00 0.00 O ATOM 1094 CB SER A 71 2.230 -4.956 13.976 1.00 0.00 C ATOM 1095 OG SER A 71 3.341 -5.598 14.577 1.00 0.00 O ATOM 0 H SER A 71 3.507 -2.849 13.956 1.00 0.00 H new ATOM 0 HA SER A 71 3.272 -4.928 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.810 -4.225 14.668 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.449 -5.688 13.773 1.00 0.00 H new ATOM 0 HG SER A 71 3.493 -5.222 15.469 1.00 0.00 H new ATOM 1101 N VAL A 72 0.863 -4.955 11.169 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.325 -4.784 10.342 1.00 0.00 C ATOM 1103 C VAL A 72 -1.597 -4.970 11.162 1.00 0.00 C ATOM 1104 O VAL A 72 -2.549 -4.202 11.032 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.337 -5.777 9.165 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.514 -5.497 8.242 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.977 -5.713 8.401 1.00 0.00 C ATOM 0 H VAL A 72 1.239 -5.903 11.176 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.294 -3.767 9.950 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.451 -6.785 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.506 -6.208 7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.445 -5.598 8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.435 -4.484 7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.951 -6.421 7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.123 -4.705 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.799 -5.967 9.070 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.605 -5.995 12.008 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.760 -6.282 12.850 1.00 0.00 C ATOM 1119 C ASN A 73 -2.579 -5.688 14.244 1.00 0.00 C ATOM 1120 O ASN A 73 -3.395 -4.886 14.700 1.00 0.00 O ATOM 1121 CB ASN A 73 -2.980 -7.793 12.953 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.413 -8.147 13.298 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.231 -8.403 12.415 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -4.724 -8.162 14.590 1.00 0.00 N ATOM 0 H ASN A 73 -0.824 -6.641 12.128 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.636 -5.824 12.390 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.711 -8.262 12.006 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.314 -8.203 13.713 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.673 -8.392 14.883 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.013 -7.943 15.288 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.504 -6.086 14.915 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.214 -5.592 16.257 1.00 0.00 C ATOM 1133 C LEU A 74 -1.461 -4.090 16.350 1.00 0.00 C ATOM 1134 O LEU A 74 -2.323 -3.638 17.105 1.00 0.00 O ATOM 1135 CB LEU A 74 0.235 -5.906 16.635 1.00 0.00 C ATOM 1136 CG LEU A 74 0.575 -7.386 16.817 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.071 -7.568 17.025 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.203 -7.972 17.986 1.00 0.00 C ATOM 0 H LEU A 74 -0.819 -6.749 14.552 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.883 -6.095 16.955 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.888 -5.496 15.864 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.469 -5.383 17.562 1.00 0.00 H new ATOM 0 HG LEU A 74 0.287 -7.920 15.911 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.294 -8.627 17.153 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.608 -7.186 16.157 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.384 -7.021 17.915 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.051 -9.026 18.101 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.053 -7.435 18.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.272 -7.875 17.797 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.702 -3.322 15.576 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.841 -1.870 15.569 1.00 0.00 C ATOM 1152 C ASP A 75 -2.158 -1.454 14.921 1.00 0.00 C ATOM 1153 O ASP A 75 -2.767 -2.226 14.181 1.00 0.00 O ATOM 1154 CB ASP A 75 0.332 -1.228 14.827 1.00 0.00 C ATOM 1155 CG ASP A 75 1.507 -0.940 15.741 1.00 0.00 C ATOM 1156 OD1 ASP A 75 2.142 -1.906 16.213 1.00 0.00 O ATOM 1157 OD2 ASP A 75 1.792 0.252 15.982 1.00 0.00 O ATOM 0 H ASP A 75 0.015 -3.680 14.946 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.840 -1.524 16.603 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.655 -1.889 14.022 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.000 -0.299 14.363 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.591 -0.230 15.205 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.837 0.288 14.652 1.00 0.00 C ATOM 1164 C GLN A 76 -3.572 1.121 13.402 1.00 0.00 C ATOM 1165 O GLN A 76 -2.598 1.871 13.339 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.572 1.131 15.695 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.316 0.304 16.731 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.204 1.148 17.624 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -6.511 2.297 17.306 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -6.622 0.581 18.750 1.00 0.00 N ATOM 0 H GLN A 76 -2.097 0.422 15.815 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.463 -0.560 14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.853 1.773 16.203 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.281 1.785 15.187 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.924 -0.445 16.224 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.595 -0.234 17.346 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.343 -0.374 18.974 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.222 1.101 19.391 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.444 0.984 12.410 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.304 1.725 11.161 1.00 0.00 C ATOM 1181 C TRP A 77 -5.546 2.565 10.885 1.00 0.00 C ATOM 1182 O TRP A 77 -6.639 2.251 11.357 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.055 0.762 9.999 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.747 0.038 10.097 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.259 -0.630 11.184 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.759 -0.089 9.069 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.027 -1.164 10.893 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.698 -0.847 9.602 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.667 0.362 7.749 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.438 -1.162 8.861 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.539 0.050 7.015 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.501 -0.707 7.572 1.00 0.00 C ATOM 0 H TRP A 77 -5.255 0.367 12.446 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.450 2.395 11.258 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.864 0.032 9.962 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.084 1.319 9.062 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.767 -0.724 12.132 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.451 -1.708 11.535 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.464 0.944 7.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.241 -1.745 9.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.457 0.395 5.995 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.369 -0.936 6.972 1.00 0.00 H new ATOM 1203 N THR A 78 -5.371 3.636 10.116 1.00 0.00 N ATOM 1204 CA THR A 78 -6.478 4.522 9.778 1.00 0.00 C ATOM 1205 C THR A 78 -6.691 4.584 8.270 1.00 0.00 C ATOM 1206 O THR A 78 -5.805 4.231 7.493 1.00 0.00 O ATOM 1207 CB THR A 78 -6.238 5.948 10.309 1.00 0.00 C ATOM 1208 OG1 THR A 78 -5.057 6.500 9.717 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.099 5.945 11.824 1.00 0.00 C ATOM 0 H THR A 78 -4.474 3.910 9.716 1.00 0.00 H new ATOM 0 HA THR A 78 -7.369 4.110 10.252 1.00 0.00 H new ATOM 0 HB THR A 78 -7.098 6.561 10.040 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.634 5.828 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.930 6.963 12.176 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.012 5.553 12.272 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.255 5.317 12.111 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.873 5.034 7.862 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.202 5.144 6.446 1.00 0.00 C ATOM 1219 C ALA A 79 -7.046 5.752 5.660 1.00 0.00 C ATOM 1220 O ALA A 79 -6.711 5.286 4.572 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.464 5.974 6.260 1.00 0.00 C ATOM 0 H ALA A 79 -8.619 5.328 8.492 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.381 4.140 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.698 6.048 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.294 5.497 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.306 6.973 6.667 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.441 6.796 6.218 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.323 7.468 5.567 1.00 0.00 C ATOM 1229 C GLU A 80 -4.214 6.476 5.227 1.00 0.00 C ATOM 1230 O GLU A 80 -3.732 6.432 4.096 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.772 8.578 6.466 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.665 9.805 6.535 1.00 0.00 C ATOM 1233 CD GLU A 80 -5.360 10.811 5.443 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -4.174 10.949 5.078 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -6.307 11.461 4.953 1.00 0.00 O ATOM 0 H GLU A 80 -6.706 7.194 7.119 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.688 7.909 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.633 8.183 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.789 8.875 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.707 9.496 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.545 10.283 7.507 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.816 5.682 6.216 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.763 4.692 6.023 1.00 0.00 C ATOM 1244 C GLN A 81 -3.231 3.575 5.096 1.00 0.00 C ATOM 1245 O GLN A 81 -2.545 3.224 4.136 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.331 4.107 7.369 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.303 4.956 8.099 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.933 6.093 8.879 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.823 6.783 8.382 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -1.472 6.294 10.108 1.00 0.00 N ATOM 0 H GLN A 81 -4.206 5.705 7.158 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.910 5.190 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.209 3.989 8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.919 3.111 7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.734 4.324 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.596 5.364 7.377 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.733 5.697 10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.857 7.045 10.681 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.402 3.019 5.391 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.960 1.942 4.583 1.00 0.00 C ATOM 1261 C ILE A 82 -4.992 2.322 3.106 1.00 0.00 C ATOM 1262 O ILE A 82 -4.505 1.579 2.254 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.386 1.579 5.038 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.370 1.071 6.481 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -6.988 0.534 4.110 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.496 -0.147 6.684 1.00 0.00 C ATOM 0 H ILE A 82 -4.982 3.297 6.183 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.311 1.077 4.719 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.005 2.475 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.022 1.871 7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.389 0.831 6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.996 0.288 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.029 0.929 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.371 -0.364 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.533 -0.451 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.856 -0.962 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.468 0.093 6.412 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.566 3.484 2.812 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.660 3.963 1.438 1.00 0.00 C ATOM 1280 C GLN A 83 -4.301 3.905 0.747 1.00 0.00 C ATOM 1281 O GLN A 83 -4.189 3.437 -0.387 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.199 5.394 1.409 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.853 5.772 0.090 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.111 4.974 -0.187 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.079 3.968 -0.896 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -9.230 5.419 0.373 1.00 0.00 N ATOM 0 H GLN A 83 -5.973 4.111 3.506 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.349 3.312 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.925 5.516 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.381 6.086 1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.096 6.834 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.142 5.616 -0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.211 6.257 0.954 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.108 4.922 0.222 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.272 4.383 1.438 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.920 4.386 0.890 1.00 0.00 C ATOM 1297 C CYS A 84 -1.506 2.985 0.454 1.00 0.00 C ATOM 1298 O CYS A 84 -1.067 2.781 -0.678 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.930 4.925 1.924 1.00 0.00 C ATOM 1300 SG CYS A 84 0.794 4.895 1.381 1.00 0.00 S ATOM 0 H CYS A 84 -3.348 4.773 2.377 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.911 5.036 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.203 5.950 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -1.022 4.339 2.839 1.00 0.00 H new ATOM 0 HG CYS A 84 1.531 4.354 2.305 1.00 0.00 H new ATOM 1306 N MET A 85 -1.648 2.023 1.359 1.00 0.00 N ATOM 1307 CA MET A 85 -1.289 0.640 1.067 1.00 0.00 C ATOM 1308 C MET A 85 -1.790 0.228 -0.313 1.00 0.00 C ATOM 1309 O MET A 85 -1.048 -0.355 -1.103 1.00 0.00 O ATOM 1310 CB MET A 85 -1.865 -0.295 2.132 1.00 0.00 C ATOM 1311 CG MET A 85 -1.166 -0.189 3.477 1.00 0.00 C ATOM 1312 SD MET A 85 0.624 -0.366 3.345 1.00 0.00 S ATOM 1313 CE MET A 85 0.755 -2.048 2.745 1.00 0.00 C ATOM 0 H MET A 85 -2.009 2.175 2.301 1.00 0.00 H new ATOM 0 HA MET A 85 -0.202 0.563 1.077 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.924 -0.073 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.797 -1.323 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.400 0.775 3.929 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.555 -0.957 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.200 -2.676 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.238 -2.425 2.498 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.383 -2.069 1.854 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.052 0.534 -0.596 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.651 0.194 -1.881 1.00 0.00 C ATOM 1325 C GLN A 86 -3.080 1.065 -2.995 1.00 0.00 C ATOM 1326 O GLN A 86 -2.649 0.560 -4.032 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.170 0.356 -1.818 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.844 -0.592 -0.839 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.982 0.002 0.549 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -6.468 1.122 0.712 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.553 -0.746 1.559 1.00 0.00 N ATOM 0 H GLN A 86 -3.679 1.017 0.047 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.413 -0.847 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.406 1.383 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.586 0.194 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.832 -0.856 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.268 -1.516 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.157 -1.668 1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.619 -0.398 2.516 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.081 2.375 -2.774 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.562 3.316 -3.760 1.00 0.00 C ATOM 1342 C ASP A 87 -1.173 2.898 -4.233 1.00 0.00 C ATOM 1343 O ASP A 87 -0.956 2.667 -5.422 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.510 4.727 -3.171 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.830 5.461 -3.310 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.830 5.001 -2.721 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.861 6.496 -4.007 1.00 0.00 O ATOM 0 H ASP A 87 -3.435 2.809 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.234 3.312 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.240 4.668 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.726 5.297 -3.670 1.00 0.00 H new ATOM 1352 N MET A 88 -0.238 2.804 -3.294 1.00 0.00 N ATOM 1353 CA MET A 88 1.130 2.413 -3.615 1.00 0.00 C ATOM 1354 C MET A 88 1.247 0.897 -3.742 1.00 0.00 C ATOM 1355 O MET A 88 1.392 0.366 -4.842 1.00 0.00 O ATOM 1356 CB MET A 88 2.094 2.923 -2.542 1.00 0.00 C ATOM 1357 CG MET A 88 3.559 2.729 -2.900 1.00 0.00 C ATOM 1358 SD MET A 88 4.194 4.040 -3.962 1.00 0.00 S ATOM 1359 CE MET A 88 5.539 3.188 -4.783 1.00 0.00 C ATOM 0 H MET A 88 -0.402 2.993 -2.305 1.00 0.00 H new ATOM 0 HA MET A 88 1.394 2.861 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.907 3.983 -2.372 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.886 2.408 -1.604 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.150 2.689 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.682 1.769 -3.401 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.077 3.888 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.221 2.780 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.139 2.376 -5.390 1.00 0.00 H new ATOM 1369 N GLY A 89 1.184 0.206 -2.608 1.00 0.00 N ATOM 1370 CA GLY A 89 1.285 -1.241 -2.615 1.00 0.00 C ATOM 1371 C GLY A 89 2.636 -1.726 -3.102 1.00 0.00 C ATOM 1372 O GLY A 89 3.472 -0.929 -3.528 1.00 0.00 O ATOM 0 H GLY A 89 1.065 0.623 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.108 -1.619 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.503 -1.654 -3.252 1.00 0.00 H new ATOM 1376 N ASN A 90 2.852 -3.036 -3.039 1.00 0.00 N ATOM 1377 CA ASN A 90 4.112 -3.625 -3.476 1.00 0.00 C ATOM 1378 C ASN A 90 4.272 -3.509 -4.989 1.00 0.00 C ATOM 1379 O ASN A 90 5.346 -3.171 -5.487 1.00 0.00 O ATOM 1380 CB ASN A 90 4.185 -5.095 -3.056 1.00 0.00 C ATOM 1381 CG ASN A 90 4.123 -5.269 -1.551 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.383 -4.565 -0.863 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.902 -6.211 -1.032 1.00 0.00 N ATOM 0 H ASN A 90 2.170 -3.710 -2.689 1.00 0.00 H new ATOM 0 HA ASN A 90 4.925 -3.077 -2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.363 -5.643 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.110 -5.532 -3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.903 -6.375 -0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.499 -6.771 -1.640 1.00 0.00 H new ATOM 1390 N THR A 91 3.195 -3.790 -5.715 1.00 0.00 N ATOM 1391 CA THR A 91 3.215 -3.718 -7.171 1.00 0.00 C ATOM 1392 C THR A 91 4.004 -2.505 -7.650 1.00 0.00 C ATOM 1393 O THR A 91 5.063 -2.643 -8.264 1.00 0.00 O ATOM 1394 CB THR A 91 1.789 -3.649 -7.749 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.995 -4.719 -7.224 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.816 -3.731 -9.268 1.00 0.00 C ATOM 0 H THR A 91 2.298 -4.070 -5.319 1.00 0.00 H new ATOM 0 HA THR A 91 3.700 -4.627 -7.526 1.00 0.00 H new ATOM 0 HB THR A 91 1.350 -2.694 -7.459 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.089 -4.667 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.798 -3.680 -9.653 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.397 -2.899 -9.667 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.273 -4.672 -9.573 1.00 0.00 H new ATOM 1404 N LYS A 92 3.484 -1.316 -7.366 1.00 0.00 N ATOM 1405 CA LYS A 92 4.140 -0.077 -7.767 1.00 0.00 C ATOM 1406 C LYS A 92 5.508 0.053 -7.103 1.00 0.00 C ATOM 1407 O LYS A 92 6.506 0.331 -7.766 1.00 0.00 O ATOM 1408 CB LYS A 92 3.269 1.127 -7.403 1.00 0.00 C ATOM 1409 CG LYS A 92 2.162 1.402 -8.407 1.00 0.00 C ATOM 1410 CD LYS A 92 1.317 2.595 -7.993 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.013 2.618 -8.730 1.00 0.00 C ATOM 1412 NZ LYS A 92 0.100 3.280 -10.058 1.00 0.00 N ATOM 0 H LYS A 92 2.609 -1.184 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 92 4.280 -0.103 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.825 0.960 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.901 2.011 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.598 1.587 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.528 0.521 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.138 2.560 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.863 3.517 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.372 1.598 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.754 3.141 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.828 3.275 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.418 4.262 -9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.788 2.766 -10.645 1.00 0.00 H new ATOM 1426 N ALA A 93 5.545 -0.152 -5.790 1.00 0.00 N ATOM 1427 CA ALA A 93 6.790 -0.061 -5.038 1.00 0.00 C ATOM 1428 C ALA A 93 7.959 -0.618 -5.842 1.00 0.00 C ATOM 1429 O ALA A 93 9.058 -0.062 -5.825 1.00 0.00 O ATOM 1430 CB ALA A 93 6.660 -0.797 -3.712 1.00 0.00 C ATOM 0 H ALA A 93 4.727 -0.382 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 93 6.990 0.992 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.597 -0.721 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.857 -0.351 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.433 -1.847 -3.899 1.00 0.00 H new ATOM 1436 N ARG A 94 7.717 -1.720 -6.545 1.00 0.00 N ATOM 1437 CA ARG A 94 8.751 -2.353 -7.354 1.00 0.00 C ATOM 1438 C ARG A 94 9.030 -1.539 -8.614 1.00 0.00 C ATOM 1439 O ARG A 94 10.182 -1.381 -9.022 1.00 0.00 O ATOM 1440 CB ARG A 94 8.331 -3.774 -7.735 1.00 0.00 C ATOM 1441 CG ARG A 94 8.205 -4.711 -6.545 1.00 0.00 C ATOM 1442 CD ARG A 94 7.671 -6.073 -6.963 1.00 0.00 C ATOM 1443 NE ARG A 94 8.741 -6.977 -7.376 1.00 0.00 N ATOM 1444 CZ ARG A 94 8.683 -8.296 -7.234 1.00 0.00 C ATOM 1445 NH1 ARG A 94 7.614 -8.862 -6.692 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.697 -9.053 -7.635 1.00 0.00 N ATOM 0 H ARG A 94 6.813 -2.193 -6.570 1.00 0.00 H new ATOM 0 HA ARG A 94 9.665 -2.398 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.375 -3.734 -8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.060 -4.184 -8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.179 -4.831 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.540 -4.270 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.121 -6.517 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.964 -5.949 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 94 9.578 -6.573 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.833 -8.284 -6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.573 -9.875 -6.584 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.522 -8.622 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.652 -10.066 -7.526 1.00 0.00 H new ATOM 1460 N LEU A 95 7.970 -1.024 -9.227 1.00 0.00 N ATOM 1461 CA LEU A 95 8.100 -0.226 -10.441 1.00 0.00 C ATOM 1462 C LEU A 95 8.712 1.136 -10.134 1.00 0.00 C ATOM 1463 O LEU A 95 9.114 1.867 -11.041 1.00 0.00 O ATOM 1464 CB LEU A 95 6.734 -0.046 -11.105 1.00 0.00 C ATOM 1465 CG LEU A 95 5.920 -1.322 -11.325 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.545 -0.989 -11.883 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.660 -2.273 -12.255 1.00 0.00 C ATOM 0 H LEU A 95 7.010 -1.145 -8.903 1.00 0.00 H new ATOM 0 HA LEU A 95 8.763 -0.756 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.143 0.637 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.883 0.437 -12.071 1.00 0.00 H new ATOM 0 HG LEU A 95 5.788 -1.816 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.981 -1.909 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.013 -0.347 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.655 -0.471 -12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.066 -3.175 -12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.823 -1.787 -13.217 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.621 -2.538 -11.815 1.00 0.00 H new ATOM 1479 N LEU A 96 8.783 1.472 -8.851 1.00 0.00 N ATOM 1480 CA LEU A 96 9.349 2.746 -8.423 1.00 0.00 C ATOM 1481 C LEU A 96 10.716 2.545 -7.777 1.00 0.00 C ATOM 1482 O LEU A 96 11.729 3.037 -8.277 1.00 0.00 O ATOM 1483 CB LEU A 96 8.406 3.442 -7.440 1.00 0.00 C ATOM 1484 CG LEU A 96 8.649 4.935 -7.218 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.061 5.176 -6.709 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.404 5.712 -8.504 1.00 0.00 C ATOM 0 H LEU A 96 8.455 0.879 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 96 9.473 3.374 -9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.383 3.310 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.479 2.936 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 96 7.947 5.289 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.216 6.244 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.202 4.651 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.780 4.806 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.582 6.773 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.081 5.355 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.373 5.565 -8.827 1.00 0.00 H new ATOM 1498 N TYR A 97 10.739 1.819 -6.665 1.00 0.00 N ATOM 1499 CA TYR A 97 11.982 1.553 -5.951 1.00 0.00 C ATOM 1500 C TYR A 97 12.887 0.628 -6.759 1.00 0.00 C ATOM 1501 O TYR A 97 14.060 0.927 -6.979 1.00 0.00 O ATOM 1502 CB TYR A 97 11.687 0.931 -4.585 1.00 0.00 C ATOM 1503 CG TYR A 97 11.106 1.908 -3.588 1.00 0.00 C ATOM 1504 CD1 TYR A 97 9.734 2.113 -3.505 1.00 0.00 C ATOM 1505 CD2 TYR A 97 11.928 2.626 -2.729 1.00 0.00 C ATOM 1506 CE1 TYR A 97 9.199 3.005 -2.596 1.00 0.00 C ATOM 1507 CE2 TYR A 97 11.402 3.519 -1.816 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.037 3.705 -1.753 1.00 0.00 C ATOM 1509 OH TYR A 97 9.508 4.595 -0.846 1.00 0.00 O ATOM 0 H TYR A 97 9.911 1.404 -6.238 1.00 0.00 H new ATOM 0 HA TYR A 97 12.499 2.502 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 97 10.992 0.101 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.608 0.514 -4.178 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.075 1.566 -4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.998 2.483 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.130 3.154 -2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 97 12.056 4.069 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 97 10.233 5.004 -0.328 1.00 0.00 H new ATOM 1519 N GLU A 98 12.331 -0.498 -7.198 1.00 0.00 N ATOM 1520 CA GLU A 98 13.088 -1.467 -7.981 1.00 0.00 C ATOM 1521 C GLU A 98 12.955 -1.182 -9.475 1.00 0.00 C ATOM 1522 O GLU A 98 12.856 -2.102 -10.286 1.00 0.00 O ATOM 1523 CB GLU A 98 12.608 -2.888 -7.677 1.00 0.00 C ATOM 1524 CG GLU A 98 12.585 -3.218 -6.194 1.00 0.00 C ATOM 1525 CD GLU A 98 12.471 -4.707 -5.930 1.00 0.00 C ATOM 1526 OE1 GLU A 98 13.247 -5.478 -6.532 1.00 0.00 O ATOM 1527 OE2 GLU A 98 11.605 -5.100 -5.121 1.00 0.00 O ATOM 0 H GLU A 98 11.361 -0.761 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 98 14.138 -1.379 -7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.606 -3.019 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.257 -3.599 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.494 -2.838 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.746 -2.704 -5.724 1.00 0.00 H new ATOM 1534 N ALA A 99 12.954 0.098 -9.829 1.00 0.00 N ATOM 1535 CA ALA A 99 12.835 0.505 -11.224 1.00 0.00 C ATOM 1536 C ALA A 99 14.206 0.612 -11.883 1.00 0.00 C ATOM 1537 O ALA A 99 14.382 0.222 -13.036 1.00 0.00 O ATOM 1538 CB ALA A 99 12.093 1.830 -11.326 1.00 0.00 C ATOM 0 H ALA A 99 13.034 0.872 -9.169 1.00 0.00 H new ATOM 0 HA ALA A 99 12.265 -0.259 -11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.012 2.122 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.095 1.722 -10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.640 2.597 -10.777 1.00 0.00 H new ATOM 1544 N ASN A 100 15.173 1.144 -11.143 1.00 0.00 N ATOM 1545 CA ASN A 100 16.529 1.304 -11.657 1.00 0.00 C ATOM 1546 C ASN A 100 17.358 0.049 -11.404 1.00 0.00 C ATOM 1547 O ASN A 100 18.589 0.089 -11.427 1.00 0.00 O ATOM 1548 CB ASN A 100 17.204 2.514 -11.009 1.00 0.00 C ATOM 1549 CG ASN A 100 16.837 3.817 -11.693 1.00 0.00 C ATOM 1550 OD1 ASN A 100 17.291 4.097 -12.802 1.00 0.00 O ATOM 1551 ND2 ASN A 100 16.010 4.620 -11.033 1.00 0.00 N ATOM 0 H ASN A 100 15.043 1.472 -10.186 1.00 0.00 H new ATOM 0 HA ASN A 100 16.466 1.466 -12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.919 2.566 -9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 100 18.286 2.383 -11.040 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.727 5.510 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.658 4.347 -10.115 1.00 0.00 H new ATOM 1558 N LEU A 101 16.676 -1.066 -11.163 1.00 0.00 N ATOM 1559 CA LEU A 101 17.349 -2.334 -10.906 1.00 0.00 C ATOM 1560 C LEU A 101 17.610 -3.086 -12.207 1.00 0.00 C ATOM 1561 O LEU A 101 16.872 -2.959 -13.185 1.00 0.00 O ATOM 1562 CB LEU A 101 16.508 -3.198 -9.965 1.00 0.00 C ATOM 1563 CG LEU A 101 16.648 -2.897 -8.472 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.685 -3.751 -7.662 1.00 0.00 C ATOM 1565 CD2 LEU A 101 18.081 -3.126 -8.014 1.00 0.00 C ATOM 0 H LEU A 101 15.658 -1.117 -11.140 1.00 0.00 H new ATOM 0 HA LEU A 101 18.308 -2.119 -10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.460 -3.086 -10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.771 -4.243 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 101 16.398 -1.849 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.799 -3.523 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.662 -3.538 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.903 -4.805 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 101 18.162 -2.907 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.359 -4.165 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.750 -2.470 -8.571 1.00 0.00 H new ATOM 1577 N PRO A 102 18.683 -3.890 -12.221 1.00 0.00 N ATOM 1578 CA PRO A 102 19.065 -4.680 -13.395 1.00 0.00 C ATOM 1579 C PRO A 102 18.087 -5.817 -13.671 1.00 0.00 C ATOM 1580 O PRO A 102 17.585 -6.454 -12.746 1.00 0.00 O ATOM 1581 CB PRO A 102 20.440 -5.237 -13.017 1.00 0.00 C ATOM 1582 CG PRO A 102 20.441 -5.263 -11.527 1.00 0.00 C ATOM 1583 CD PRO A 102 19.607 -4.090 -11.092 1.00 0.00 C ATOM 0 HA PRO A 102 19.069 -4.081 -14.306 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.591 -6.234 -13.431 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.242 -4.608 -13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.024 -6.198 -11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 102 21.456 -5.187 -11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.071 -4.300 -10.166 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.219 -3.206 -10.913 1.00 0.00 H new ATOM 1591 N GLU A 103 17.823 -6.067 -14.950 1.00 0.00 N ATOM 1592 CA GLU A 103 16.904 -7.128 -15.346 1.00 0.00 C ATOM 1593 C GLU A 103 17.202 -8.418 -14.586 1.00 0.00 C ATOM 1594 O GLU A 103 16.291 -9.107 -14.132 1.00 0.00 O ATOM 1595 CB GLU A 103 16.998 -7.378 -16.853 1.00 0.00 C ATOM 1596 CG GLU A 103 16.387 -8.699 -17.290 1.00 0.00 C ATOM 1597 CD GLU A 103 16.090 -8.740 -18.777 1.00 0.00 C ATOM 1598 OE1 GLU A 103 16.925 -8.244 -19.561 1.00 0.00 O ATOM 1599 OE2 GLU A 103 15.025 -9.269 -19.155 1.00 0.00 O ATOM 0 H GLU A 103 18.232 -5.550 -15.728 1.00 0.00 H new ATOM 0 HA GLU A 103 15.892 -6.807 -15.100 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.499 -6.565 -17.380 1.00 0.00 H new ATOM 0 HB3 GLU A 103 18.046 -7.355 -17.152 1.00 0.00 H new ATOM 0 HG2 GLU A 103 17.068 -9.512 -17.037 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.465 -8.870 -16.734 1.00 0.00 H new ATOM 1606 N ASN A 104 18.486 -8.736 -14.453 1.00 0.00 N ATOM 1607 CA ASN A 104 18.905 -9.942 -13.750 1.00 0.00 C ATOM 1608 C ASN A 104 19.348 -9.616 -12.327 1.00 0.00 C ATOM 1609 O ASN A 104 20.353 -10.138 -11.843 1.00 0.00 O ATOM 1610 CB ASN A 104 20.045 -10.629 -14.506 1.00 0.00 C ATOM 1611 CG ASN A 104 20.948 -9.638 -15.215 1.00 0.00 C ATOM 1612 OD1 ASN A 104 21.406 -8.628 -14.485 1.00 0.00 O flip ATOM 1613 ND2 ASN A 104 21.229 -9.779 -16.405 1.00 0.00 N flip ATOM 0 H ASN A 104 19.253 -8.175 -14.823 1.00 0.00 H new ATOM 0 HA ASN A 104 18.052 -10.618 -13.700 1.00 0.00 H new ATOM 0 HB2 ASN A 104 20.637 -11.220 -13.807 1.00 0.00 H new ATOM 0 HB3 ASN A 104 19.627 -11.323 -15.236 1.00 0.00 H new ATOM 0 HD21 ASN A 104 20.854 -10.571 -16.927 1.00 0.00 H new ATOM 0 HD22 ASN A 104 21.837 -9.104 -16.869 1.00 0.00 H new ATOM 1620 N PHE A 105 18.591 -8.751 -11.661 1.00 0.00 N ATOM 1621 CA PHE A 105 18.905 -8.354 -10.293 1.00 0.00 C ATOM 1622 C PHE A 105 18.840 -9.553 -9.351 1.00 0.00 C ATOM 1623 O PHE A 105 18.086 -10.498 -9.583 1.00 0.00 O ATOM 1624 CB PHE A 105 17.939 -7.266 -9.820 1.00 0.00 C ATOM 1625 CG PHE A 105 17.743 -7.244 -8.331 1.00 0.00 C ATOM 1626 CD1 PHE A 105 16.741 -7.996 -7.740 1.00 0.00 C ATOM 1627 CD2 PHE A 105 18.562 -6.472 -7.523 1.00 0.00 C ATOM 1628 CE1 PHE A 105 16.558 -7.977 -6.370 1.00 0.00 C ATOM 1629 CE2 PHE A 105 18.384 -6.449 -6.152 1.00 0.00 C ATOM 1630 CZ PHE A 105 17.381 -7.203 -5.575 1.00 0.00 C ATOM 0 H PHE A 105 17.755 -8.311 -12.046 1.00 0.00 H new ATOM 0 HA PHE A 105 19.920 -7.958 -10.280 1.00 0.00 H new ATOM 0 HB2 PHE A 105 18.312 -6.294 -10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 105 16.973 -7.414 -10.303 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.096 -8.604 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 105 19.348 -5.881 -7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 105 15.772 -8.567 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 105 19.028 -5.842 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.240 -7.188 -4.504 1.00 0.00 H new ATOM 1640 N ARG A 106 19.635 -9.506 -8.287 1.00 0.00 N ATOM 1641 CA ARG A 106 19.670 -10.587 -7.310 1.00 0.00 C ATOM 1642 C ARG A 106 19.584 -10.039 -5.889 1.00 0.00 C ATOM 1643 O ARG A 106 20.534 -9.438 -5.386 1.00 0.00 O ATOM 1644 CB ARG A 106 20.948 -11.411 -7.475 1.00 0.00 C ATOM 1645 CG ARG A 106 21.108 -12.018 -8.859 1.00 0.00 C ATOM 1646 CD ARG A 106 22.266 -13.003 -8.906 1.00 0.00 C ATOM 1647 NE ARG A 106 22.563 -13.434 -10.269 1.00 0.00 N ATOM 1648 CZ ARG A 106 23.519 -14.305 -10.572 1.00 0.00 C ATOM 1649 NH1 ARG A 106 24.267 -14.834 -9.613 1.00 0.00 N ATOM 1650 NH2 ARG A 106 23.729 -14.648 -11.836 1.00 0.00 N ATOM 0 H ARG A 106 20.264 -8.730 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 106 18.807 -11.229 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.809 -10.776 -7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 106 20.953 -12.211 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 106 20.186 -12.525 -9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.274 -11.225 -9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 106 23.152 -12.541 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 106 22.027 -13.873 -8.295 1.00 0.00 H new ATOM 0 HE ARG A 106 22.006 -13.045 -11.030 1.00 0.00 H new ATOM 0 HH11 ARG A 106 24.109 -14.572 -8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 106 25.000 -15.503 -9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 106 23.156 -14.243 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 106 24.463 -15.317 -12.068 1.00 0.00 H new ATOM 1664 N ARG A 107 18.440 -10.250 -5.246 1.00 0.00 N ATOM 1665 CA ARG A 107 18.230 -9.776 -3.884 1.00 0.00 C ATOM 1666 C ARG A 107 19.145 -10.508 -2.906 1.00 0.00 C ATOM 1667 O ARG A 107 19.363 -11.715 -3.007 1.00 0.00 O ATOM 1668 CB ARG A 107 16.769 -9.969 -3.473 1.00 0.00 C ATOM 1669 CG ARG A 107 16.315 -11.420 -3.503 1.00 0.00 C ATOM 1670 CD ARG A 107 14.799 -11.528 -3.551 1.00 0.00 C ATOM 1671 NE ARG A 107 14.252 -11.001 -4.799 1.00 0.00 N ATOM 1672 CZ ARG A 107 14.153 -11.713 -5.916 1.00 0.00 C ATOM 1673 NH1 ARG A 107 14.563 -12.973 -5.941 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.644 -11.163 -7.011 1.00 0.00 N ATOM 0 H ARG A 107 17.644 -10.746 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 107 18.471 -8.713 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.628 -9.574 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.133 -9.384 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.744 -11.919 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.690 -11.938 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.506 -12.572 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.370 -10.985 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 107 13.929 -10.034 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.956 -13.398 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 107 14.486 -13.517 -6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.329 -10.193 -6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.568 -11.710 -7.869 1.00 0.00 H new ATOM 1688 N PRO A 108 19.695 -9.760 -1.938 1.00 0.00 N ATOM 1689 CA PRO A 108 20.596 -10.317 -0.924 1.00 0.00 C ATOM 1690 C PRO A 108 19.870 -11.229 0.058 1.00 0.00 C ATOM 1691 O PRO A 108 18.776 -10.910 0.523 1.00 0.00 O ATOM 1692 CB PRO A 108 21.130 -9.075 -0.205 1.00 0.00 C ATOM 1693 CG PRO A 108 20.080 -8.039 -0.407 1.00 0.00 C ATOM 1694 CD PRO A 108 19.480 -8.315 -1.758 1.00 0.00 C ATOM 0 HA PRO A 108 21.374 -10.939 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.294 -9.271 0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.086 -8.757 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.323 -8.094 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.508 -7.037 -0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.421 -8.060 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.969 -7.735 -2.541 1.00 0.00 H new ATOM 1702 N GLN A 109 20.485 -12.365 0.369 1.00 0.00 N ATOM 1703 CA GLN A 109 19.896 -13.324 1.296 1.00 0.00 C ATOM 1704 C GLN A 109 20.445 -13.127 2.705 1.00 0.00 C ATOM 1705 O GLN A 109 19.717 -13.252 3.691 1.00 0.00 O ATOM 1706 CB GLN A 109 20.168 -14.754 0.826 1.00 0.00 C ATOM 1707 CG GLN A 109 19.078 -15.740 1.215 1.00 0.00 C ATOM 1708 CD GLN A 109 18.032 -15.911 0.132 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.289 -14.846 -0.148 1.00 0.00 O flip ATOM 1710 NE2 GLN A 109 17.892 -16.989 -0.448 1.00 0.00 N flip ATOM 0 H GLN A 109 21.391 -12.644 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 109 18.819 -13.155 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.278 -14.756 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.117 -15.091 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.530 -16.707 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 109 18.595 -15.399 2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.485 -17.782 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.183 -17.089 -1.175 1.00 0.00 H new ATOM 1719 N THR A 110 21.735 -12.818 2.795 1.00 0.00 N ATOM 1720 CA THR A 110 22.382 -12.605 4.083 1.00 0.00 C ATOM 1721 C THR A 110 22.018 -11.243 4.663 1.00 0.00 C ATOM 1722 O THR A 110 22.260 -10.208 4.042 1.00 0.00 O ATOM 1723 CB THR A 110 23.915 -12.706 3.965 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.406 -11.697 3.076 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.329 -14.080 3.460 1.00 0.00 C ATOM 0 H THR A 110 22.352 -12.710 1.990 1.00 0.00 H new ATOM 0 HA THR A 110 22.023 -13.389 4.750 1.00 0.00 H new ATOM 0 HB THR A 110 24.344 -12.556 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 110 23.790 -10.935 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.415 -14.128 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 110 23.979 -14.844 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.889 -14.254 2.478 1.00 0.00 H new ATOM 1733 N ASP A 111 21.435 -11.250 5.857 1.00 0.00 N ATOM 1734 CA ASP A 111 21.038 -10.015 6.522 1.00 0.00 C ATOM 1735 C ASP A 111 22.020 -8.890 6.209 1.00 0.00 C ATOM 1736 O ASP A 111 21.624 -7.815 5.759 1.00 0.00 O ATOM 1737 CB ASP A 111 20.953 -10.229 8.034 1.00 0.00 C ATOM 1738 CG ASP A 111 19.980 -11.329 8.409 1.00 0.00 C ATOM 1739 OD1 ASP A 111 19.907 -12.333 7.671 1.00 0.00 O ATOM 1740 OD2 ASP A 111 19.290 -11.185 9.441 1.00 0.00 O ATOM 0 H ASP A 111 21.227 -12.098 6.384 1.00 0.00 H new ATOM 0 HA ASP A 111 20.055 -9.730 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 111 21.942 -10.476 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.648 -9.299 8.513 1.00 0.00 H new ATOM 1745 N GLN A 112 23.301 -9.145 6.452 1.00 0.00 N ATOM 1746 CA GLN A 112 24.339 -8.153 6.198 1.00 0.00 C ATOM 1747 C GLN A 112 24.010 -7.326 4.960 1.00 0.00 C ATOM 1748 O GLN A 112 23.737 -6.130 5.055 1.00 0.00 O ATOM 1749 CB GLN A 112 25.696 -8.837 6.023 1.00 0.00 C ATOM 1750 CG GLN A 112 26.507 -8.919 7.306 1.00 0.00 C ATOM 1751 CD GLN A 112 27.416 -10.131 7.346 1.00 0.00 C ATOM 1752 OE1 GLN A 112 26.966 -11.251 7.588 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.704 -9.913 7.109 1.00 0.00 N ATOM 0 H GLN A 112 23.645 -10.030 6.824 1.00 0.00 H new ATOM 0 HA GLN A 112 24.385 -7.484 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 112 25.539 -9.844 5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.272 -8.295 5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 112 27.108 -8.016 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 112 25.829 -8.950 8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 112 29.034 -8.968 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.364 -10.691 7.123 1.00 0.00 H new ATOM 1762 N ALA A 113 24.038 -7.971 3.798 1.00 0.00 N ATOM 1763 CA ALA A 113 23.741 -7.295 2.541 1.00 0.00 C ATOM 1764 C ALA A 113 22.354 -6.661 2.574 1.00 0.00 C ATOM 1765 O ALA A 113 22.192 -5.484 2.254 1.00 0.00 O ATOM 1766 CB ALA A 113 23.850 -8.271 1.379 1.00 0.00 C ATOM 0 H ALA A 113 24.263 -8.961 3.701 1.00 0.00 H new ATOM 0 HA ALA A 113 24.473 -6.499 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.626 -7.753 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.862 -8.674 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.141 -9.086 1.521 1.00 0.00 H new ATOM 1772 N VAL A 114 21.357 -7.450 2.960 1.00 0.00 N ATOM 1773 CA VAL A 114 19.983 -6.966 3.034 1.00 0.00 C ATOM 1774 C VAL A 114 19.923 -5.581 3.669 1.00 0.00 C ATOM 1775 O VAL A 114 19.349 -4.652 3.100 1.00 0.00 O ATOM 1776 CB VAL A 114 19.092 -7.928 3.842 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.672 -7.389 3.934 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.104 -9.315 3.219 1.00 0.00 C ATOM 0 H VAL A 114 21.475 -8.428 3.226 1.00 0.00 H new ATOM 0 HA VAL A 114 19.611 -6.911 2.011 1.00 0.00 H new ATOM 0 HB VAL A 114 19.493 -8.005 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.056 -8.081 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.683 -6.418 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.258 -7.281 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.469 -9.982 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.728 -9.258 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.123 -9.701 3.209 1.00 0.00 H new ATOM 1788 N GLU A 115 20.519 -5.450 4.849 1.00 0.00 N ATOM 1789 CA GLU A 115 20.533 -4.177 5.561 1.00 0.00 C ATOM 1790 C GLU A 115 20.973 -3.043 4.640 1.00 0.00 C ATOM 1791 O GLU A 115 20.293 -2.024 4.522 1.00 0.00 O ATOM 1792 CB GLU A 115 21.463 -4.255 6.773 1.00 0.00 C ATOM 1793 CG GLU A 115 21.426 -3.014 7.650 1.00 0.00 C ATOM 1794 CD GLU A 115 22.347 -3.120 8.849 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.578 -3.188 8.647 1.00 0.00 O ATOM 1796 OE2 GLU A 115 21.838 -3.134 9.989 1.00 0.00 O ATOM 0 H GLU A 115 20.999 -6.209 5.333 1.00 0.00 H new ATOM 0 HA GLU A 115 19.519 -3.971 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.191 -5.123 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.484 -4.415 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.708 -2.145 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.405 -2.847 7.994 1.00 0.00 H new ATOM 1803 N PHE A 116 22.117 -3.228 3.989 1.00 0.00 N ATOM 1804 CA PHE A 116 22.650 -2.221 3.079 1.00 0.00 C ATOM 1805 C PHE A 116 21.695 -1.981 1.913 1.00 0.00 C ATOM 1806 O PHE A 116 21.421 -0.838 1.546 1.00 0.00 O ATOM 1807 CB PHE A 116 24.019 -2.654 2.550 1.00 0.00 C ATOM 1808 CG PHE A 116 25.074 -2.738 3.616 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.319 -1.661 4.453 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.820 -3.894 3.782 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.290 -1.736 5.434 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.792 -3.974 4.761 1.00 0.00 C ATOM 1813 CZ PHE A 116 27.026 -2.894 5.589 1.00 0.00 C ATOM 0 H PHE A 116 22.692 -4.066 4.075 1.00 0.00 H new ATOM 0 HA PHE A 116 22.760 -1.289 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.922 -3.627 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.343 -1.950 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.745 -0.753 4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.640 -4.742 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.473 -0.889 6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.368 -4.880 4.878 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.783 -2.955 6.357 1.00 0.00 H new ATOM 1823 N PHE A 117 21.192 -3.067 1.335 1.00 0.00 N ATOM 1824 CA PHE A 117 20.269 -2.975 0.210 1.00 0.00 C ATOM 1825 C PHE A 117 19.180 -1.942 0.483 1.00 0.00 C ATOM 1826 O PHE A 117 18.995 -1.001 -0.290 1.00 0.00 O ATOM 1827 CB PHE A 117 19.634 -4.339 -0.069 1.00 0.00 C ATOM 1828 CG PHE A 117 18.763 -4.357 -1.292 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.230 -3.861 -2.498 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.477 -4.870 -1.235 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.430 -3.875 -3.625 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.672 -4.887 -2.359 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.150 -4.390 -3.556 1.00 0.00 C ATOM 0 H PHE A 117 21.408 -4.020 1.627 1.00 0.00 H new ATOM 0 HA PHE A 117 20.835 -2.659 -0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.424 -5.081 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.040 -4.637 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.230 -3.459 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.099 -5.261 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.805 -3.484 -4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.671 -5.288 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.524 -4.404 -4.436 1.00 0.00 H new ATOM 1843 N ILE A 118 18.462 -2.124 1.586 1.00 0.00 N ATOM 1844 CA ILE A 118 17.392 -1.208 1.961 1.00 0.00 C ATOM 1845 C ILE A 118 17.950 0.147 2.381 1.00 0.00 C ATOM 1846 O ILE A 118 17.351 1.188 2.111 1.00 0.00 O ATOM 1847 CB ILE A 118 16.539 -1.779 3.109 1.00 0.00 C ATOM 1848 CG1 ILE A 118 15.927 -3.120 2.701 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.450 -0.791 3.502 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.691 -4.056 3.867 1.00 0.00 C ATOM 0 H ILE A 118 18.602 -2.898 2.236 1.00 0.00 H new ATOM 0 HA ILE A 118 16.762 -1.081 1.080 1.00 0.00 H new ATOM 0 HB ILE A 118 17.183 -1.943 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 118 14.980 -2.939 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.586 -3.607 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.856 -1.209 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.907 0.143 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.807 -0.598 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.256 -4.987 3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.639 -4.267 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.008 -3.589 4.576 1.00 0.00 H new ATOM 1862 N ARG A 119 19.103 0.126 3.043 1.00 0.00 N ATOM 1863 CA ARG A 119 19.743 1.353 3.501 1.00 0.00 C ATOM 1864 C ARG A 119 20.317 2.138 2.325 1.00 0.00 C ATOM 1865 O ARG A 119 20.753 3.279 2.481 1.00 0.00 O ATOM 1866 CB ARG A 119 20.854 1.031 4.503 1.00 0.00 C ATOM 1867 CG ARG A 119 20.380 1.000 5.947 1.00 0.00 C ATOM 1868 CD ARG A 119 21.523 0.693 6.901 1.00 0.00 C ATOM 1869 NE ARG A 119 22.538 1.743 6.897 1.00 0.00 N ATOM 1870 CZ ARG A 119 23.762 1.584 7.387 1.00 0.00 C ATOM 1871 NH1 ARG A 119 24.122 0.424 7.917 1.00 0.00 N ATOM 1872 NH2 ARG A 119 24.630 2.588 7.347 1.00 0.00 N ATOM 0 H ARG A 119 19.612 -0.727 3.274 1.00 0.00 H new ATOM 0 HA ARG A 119 18.987 1.966 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.290 0.064 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.646 1.773 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.936 1.961 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.599 0.248 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.130 0.573 7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.982 -0.256 6.623 1.00 0.00 H new ATOM 0 HE ARG A 119 22.293 2.648 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 119 23.458 -0.350 7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 119 25.063 0.305 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 119 24.357 3.482 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 119 25.570 2.465 7.724 1.00 0.00 H new ATOM 1886 N ASP A 120 20.314 1.519 1.149 1.00 0.00 N ATOM 1887 CA ASP A 120 20.834 2.160 -0.053 1.00 0.00 C ATOM 1888 C ASP A 120 19.748 2.278 -1.118 1.00 0.00 C ATOM 1889 O ASP A 120 19.882 3.042 -2.074 1.00 0.00 O ATOM 1890 CB ASP A 120 22.022 1.370 -0.604 1.00 0.00 C ATOM 1891 CG ASP A 120 23.034 1.021 0.470 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.119 1.766 1.468 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.740 0.003 0.311 1.00 0.00 O ATOM 0 H ASP A 120 19.957 0.575 1.003 1.00 0.00 H new ATOM 0 HA ASP A 120 21.167 3.163 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.660 0.453 -1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.511 1.953 -1.385 1.00 0.00 H new ATOM 1898 N LYS A 121 18.673 1.516 -0.947 1.00 0.00 N ATOM 1899 CA LYS A 121 17.563 1.535 -1.892 1.00 0.00 C ATOM 1900 C LYS A 121 16.495 2.533 -1.457 1.00 0.00 C ATOM 1901 O LYS A 121 15.911 3.232 -2.286 1.00 0.00 O ATOM 1902 CB LYS A 121 16.951 0.138 -2.019 1.00 0.00 C ATOM 1903 CG LYS A 121 15.890 0.035 -3.102 1.00 0.00 C ATOM 1904 CD LYS A 121 15.694 -1.402 -3.554 1.00 0.00 C ATOM 1905 CE LYS A 121 14.640 -2.111 -2.718 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.264 -1.852 -3.223 1.00 0.00 N ATOM 0 H LYS A 121 18.547 0.877 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 121 17.950 1.845 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.744 -0.579 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.511 -0.145 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.946 0.432 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.178 0.650 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.398 -1.417 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.639 -1.939 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.833 -3.184 -2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.715 -1.780 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.778 -1.191 -2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.316 -1.437 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.735 -2.746 -3.264 1.00 0.00 H new ATOM 1920 N TYR A 122 16.245 2.594 -0.154 1.00 0.00 N ATOM 1921 CA TYR A 122 15.246 3.506 0.390 1.00 0.00 C ATOM 1922 C TYR A 122 15.902 4.769 0.939 1.00 0.00 C ATOM 1923 O TYR A 122 15.566 5.881 0.535 1.00 0.00 O ATOM 1924 CB TYR A 122 14.441 2.815 1.493 1.00 0.00 C ATOM 1925 CG TYR A 122 13.443 1.806 0.973 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.803 0.478 0.783 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.140 2.181 0.670 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.895 -0.448 0.308 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.224 1.262 0.195 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.606 -0.051 0.015 1.00 0.00 C ATOM 1931 OH TYR A 122 10.698 -0.969 -0.459 1.00 0.00 O ATOM 0 H TYR A 122 16.720 2.023 0.545 1.00 0.00 H new ATOM 0 HA TYR A 122 14.573 3.791 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.129 2.315 2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.912 3.571 2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.811 0.164 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.838 3.209 0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.192 -1.477 0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.215 1.570 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 122 9.837 -0.527 -0.614 1.00 0.00 H new ATOM 1941 N GLU A 123 16.842 4.586 1.862 1.00 0.00 N ATOM 1942 CA GLU A 123 17.546 5.711 2.467 1.00 0.00 C ATOM 1943 C GLU A 123 18.278 6.528 1.406 1.00 0.00 C ATOM 1944 O GLU A 123 17.917 7.671 1.128 1.00 0.00 O ATOM 1945 CB GLU A 123 18.540 5.213 3.519 1.00 0.00 C ATOM 1946 CG GLU A 123 18.754 6.189 4.663 1.00 0.00 C ATOM 1947 CD GLU A 123 19.558 7.406 4.249 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.734 7.239 3.865 1.00 0.00 O ATOM 1949 OE2 GLU A 123 19.009 8.527 4.308 1.00 0.00 O ATOM 0 H GLU A 123 17.133 3.671 2.206 1.00 0.00 H new ATOM 0 HA GLU A 123 16.808 6.352 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.184 4.265 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.498 5.015 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.786 6.511 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.267 5.680 5.479 1.00 0.00 H new ATOM 1956 N LYS A 124 19.311 5.934 0.818 1.00 0.00 N ATOM 1957 CA LYS A 124 20.095 6.604 -0.212 1.00 0.00 C ATOM 1958 C LYS A 124 19.246 6.879 -1.449 1.00 0.00 C ATOM 1959 O LYS A 124 19.503 7.826 -2.193 1.00 0.00 O ATOM 1960 CB LYS A 124 21.309 5.753 -0.593 1.00 0.00 C ATOM 1961 CG LYS A 124 22.302 5.568 0.542 1.00 0.00 C ATOM 1962 CD LYS A 124 23.242 6.756 0.658 1.00 0.00 C ATOM 1963 CE LYS A 124 24.292 6.746 -0.443 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.327 7.795 -0.232 1.00 0.00 N ATOM 0 H LYS A 124 19.625 4.989 1.038 1.00 0.00 H new ATOM 0 HA LYS A 124 20.439 7.557 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.966 4.774 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.818 6.218 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.763 5.436 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.881 4.659 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 124 22.668 7.681 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.733 6.739 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.770 5.767 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.808 6.902 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 26.024 7.755 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.875 8.732 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.806 7.632 0.676 1.00 0.00 H new ATOM 1978 N LYS A 125 18.233 6.047 -1.663 1.00 0.00 N ATOM 1979 CA LYS A 125 17.344 6.201 -2.808 1.00 0.00 C ATOM 1980 C LYS A 125 18.103 6.009 -4.117 1.00 0.00 C ATOM 1981 O LYS A 125 17.816 6.668 -5.116 1.00 0.00 O ATOM 1982 CB LYS A 125 16.686 7.583 -2.786 1.00 0.00 C ATOM 1983 CG LYS A 125 15.801 7.816 -1.574 1.00 0.00 C ATOM 1984 CD LYS A 125 14.521 7.000 -1.652 1.00 0.00 C ATOM 1985 CE LYS A 125 13.519 7.433 -0.593 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.909 8.754 -0.914 1.00 0.00 N ATOM 0 H LYS A 125 18.007 5.258 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 125 16.571 5.435 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.463 8.347 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.090 7.707 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.347 7.553 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.554 8.875 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.077 7.111 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.754 5.943 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.734 6.682 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.015 7.488 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.095 8.921 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.614 9.505 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.592 8.759 -1.905 1.00 0.00 H new ATOM 2000 N LYS A 126 19.074 5.102 -4.105 1.00 0.00 N ATOM 2001 CA LYS A 126 19.873 4.820 -5.291 1.00 0.00 C ATOM 2002 C LYS A 126 18.993 4.331 -6.437 1.00 0.00 C ATOM 2003 O LYS A 126 18.771 5.050 -7.411 1.00 0.00 O ATOM 2004 CB LYS A 126 20.943 3.773 -4.973 1.00 0.00 C ATOM 2005 CG LYS A 126 22.290 4.371 -4.605 1.00 0.00 C ATOM 2006 CD LYS A 126 23.123 3.404 -3.781 1.00 0.00 C ATOM 2007 CE LYS A 126 23.857 2.407 -4.665 1.00 0.00 C ATOM 2008 NZ LYS A 126 22.913 1.533 -5.415 1.00 0.00 N ATOM 0 H LYS A 126 19.327 4.549 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 126 20.359 5.746 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.595 3.149 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.069 3.120 -5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.831 4.637 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.139 5.293 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.844 3.961 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.478 2.868 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 126 24.492 2.944 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.513 1.790 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 23.385 0.638 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 22.078 1.337 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 22.615 2.013 -6.289 1.00 0.00 H new ATOM 2022 N TYR A 127 18.495 3.106 -6.313 1.00 0.00 N ATOM 2023 CA TYR A 127 17.640 2.522 -7.340 1.00 0.00 C ATOM 2024 C TYR A 127 16.274 3.202 -7.363 1.00 0.00 C ATOM 2025 O TYR A 127 15.528 3.087 -8.335 1.00 0.00 O ATOM 2026 CB TYR A 127 17.471 1.021 -7.098 1.00 0.00 C ATOM 2027 CG TYR A 127 18.765 0.311 -6.768 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.294 0.351 -5.484 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.458 -0.398 -7.741 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.476 -0.296 -5.178 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.640 -1.049 -7.444 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.145 -0.995 -6.161 1.00 0.00 C ATOM 2033 OH TYR A 127 22.323 -1.640 -5.862 1.00 0.00 O ATOM 0 H TYR A 127 18.668 2.498 -5.512 1.00 0.00 H new ATOM 0 HA TYR A 127 18.119 2.676 -8.307 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.765 0.870 -6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 127 17.033 0.565 -7.986 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.773 0.897 -4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.066 -0.441 -8.747 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.874 -0.255 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.166 -1.597 -8.212 1.00 0.00 H new ATOM 0 HH TYR A 127 22.665 -2.085 -6.665 1.00 0.00 H new ATOM 2043 N TYR A 128 15.955 3.910 -6.286 1.00 0.00 N ATOM 2044 CA TYR A 128 14.679 4.608 -6.180 1.00 0.00 C ATOM 2045 C TYR A 128 14.436 5.487 -7.404 1.00 0.00 C ATOM 2046 O TYR A 128 15.225 6.382 -7.705 1.00 0.00 O ATOM 2047 CB TYR A 128 14.644 5.461 -4.911 1.00 0.00 C ATOM 2048 CG TYR A 128 13.371 6.261 -4.755 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.269 5.730 -4.095 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.270 7.549 -5.265 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.104 6.457 -3.951 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.109 8.285 -5.124 1.00 0.00 C ATOM 2053 CZ TYR A 128 11.029 7.734 -4.467 1.00 0.00 C ATOM 2054 OH TYR A 128 9.870 8.463 -4.324 1.00 0.00 O ATOM 0 H TYR A 128 16.562 4.016 -5.473 1.00 0.00 H new ATOM 0 HA TYR A 128 13.888 3.860 -6.129 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.764 4.812 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.494 6.144 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.325 4.731 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.114 7.983 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.256 6.028 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 128 12.048 9.286 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 128 9.983 9.342 -4.742 1.00 0.00 H new ATOM 2064 N ASP A 129 13.338 5.224 -8.104 1.00 0.00 N ATOM 2065 CA ASP A 129 12.988 5.991 -9.294 1.00 0.00 C ATOM 2066 C ASP A 129 12.342 7.320 -8.913 1.00 0.00 C ATOM 2067 O ASP A 129 11.201 7.358 -8.452 1.00 0.00 O ATOM 2068 CB ASP A 129 12.041 5.186 -10.185 1.00 0.00 C ATOM 2069 CG ASP A 129 12.031 5.683 -11.617 1.00 0.00 C ATOM 2070 OD1 ASP A 129 13.126 5.851 -12.194 1.00 0.00 O ATOM 2071 OD2 ASP A 129 10.929 5.902 -12.161 1.00 0.00 O ATOM 0 H ASP A 129 12.675 4.486 -7.868 1.00 0.00 H new ATOM 0 HA ASP A 129 13.905 6.198 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.336 4.137 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.031 5.239 -9.778 1.00 0.00 H new ATOM 2076 N LYS A 130 13.080 8.407 -9.109 1.00 0.00 N ATOM 2077 CA LYS A 130 12.581 9.739 -8.787 1.00 0.00 C ATOM 2078 C LYS A 130 11.756 10.304 -9.939 1.00 0.00 C ATOM 2079 O LYS A 130 10.750 10.977 -9.722 1.00 0.00 O ATOM 2080 CB LYS A 130 13.745 10.680 -8.469 1.00 0.00 C ATOM 2081 CG LYS A 130 14.745 10.815 -9.605 1.00 0.00 C ATOM 2082 CD LYS A 130 14.414 11.997 -10.501 1.00 0.00 C ATOM 2083 CE LYS A 130 15.644 12.492 -11.247 1.00 0.00 C ATOM 2084 NZ LYS A 130 16.203 11.447 -12.149 1.00 0.00 N ATOM 0 H LYS A 130 14.026 8.392 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 130 11.939 9.657 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.348 11.666 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.263 10.317 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 130 15.748 10.937 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 130 14.751 9.899 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.645 11.708 -11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 130 14.002 12.807 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 130 15.384 13.375 -11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 130 16.405 12.798 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 17.009 11.839 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 16.522 10.635 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 15.469 11.137 -12.818 1.00 0.00 H new ATOM 2098 N ASN A 131 12.190 10.024 -11.164 1.00 0.00 N ATOM 2099 CA ASN A 131 11.491 10.504 -12.350 1.00 0.00 C ATOM 2100 C ASN A 131 9.980 10.480 -12.138 1.00 0.00 C ATOM 2101 O ASN A 131 9.269 11.392 -12.560 1.00 0.00 O ATOM 2102 CB ASN A 131 11.860 9.651 -13.565 1.00 0.00 C ATOM 2103 CG ASN A 131 13.337 9.310 -13.605 1.00 0.00 C ATOM 2104 OD1 ASN A 131 13.870 8.700 -12.678 1.00 0.00 O ATOM 2105 ND2 ASN A 131 14.006 9.703 -14.683 1.00 0.00 N ATOM 0 H ASN A 131 13.022 9.468 -11.361 1.00 0.00 H new ATOM 0 HA ASN A 131 11.799 11.534 -12.530 1.00 0.00 H new ATOM 0 HB2 ASN A 131 11.278 8.730 -13.549 1.00 0.00 H new ATOM 0 HB3 ASN A 131 11.588 10.184 -14.476 1.00 0.00 H new ATOM 0 HD21 ASN A 131 15.002 9.502 -14.766 1.00 0.00 H new ATOM 0 HD22 ASN A 131 13.523 10.206 -15.427 1.00 0.00 H new ATOM 2112 N ALA A 132 9.496 9.431 -11.482 1.00 0.00 N ATOM 2113 CA ALA A 132 8.071 9.289 -11.211 1.00 0.00 C ATOM 2114 C ALA A 132 7.464 10.612 -10.757 1.00 0.00 C ATOM 2115 O ALA A 132 6.416 11.028 -11.253 1.00 0.00 O ATOM 2116 CB ALA A 132 7.837 8.212 -10.163 1.00 0.00 C ATOM 0 H ALA A 132 10.071 8.666 -11.128 1.00 0.00 H new ATOM 0 HA ALA A 132 7.579 8.992 -12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.768 8.117 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.226 7.261 -10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 132 8.349 8.485 -9.240 1.00 0.00 H new ATOM 2122 N ILE A 133 8.129 11.269 -9.813 1.00 0.00 N ATOM 2123 CA ILE A 133 7.654 12.546 -9.293 1.00 0.00 C ATOM 2124 C ILE A 133 6.130 12.595 -9.262 1.00 0.00 C ATOM 2125 O ILE A 133 5.517 13.502 -9.823 1.00 0.00 O ATOM 2126 CB ILE A 133 8.178 13.725 -10.133 1.00 0.00 C ATOM 2127 CG1 ILE A 133 9.708 13.745 -10.127 1.00 0.00 C ATOM 2128 CG2 ILE A 133 7.624 15.040 -9.603 1.00 0.00 C ATOM 2129 CD1 ILE A 133 10.307 13.754 -8.738 1.00 0.00 C ATOM 0 H ILE A 133 8.998 10.939 -9.393 1.00 0.00 H new ATOM 0 HA ILE A 133 8.038 12.636 -8.277 1.00 0.00 H new ATOM 0 HB ILE A 133 7.839 13.598 -11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.077 12.873 -10.667 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.054 14.625 -10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.003 15.864 -10.207 1.00 0.00 H new ATOM 0 HG22 ILE A 133 6.535 15.023 -9.655 1.00 0.00 H new ATOM 0 HG23 ILE A 133 7.936 15.175 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 133 11.394 13.768 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 133 9.968 14.640 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 133 9.991 12.860 -8.200 1.00 0.00 H new ATOM 2141 N ALA A 134 5.525 11.613 -8.602 1.00 0.00 N ATOM 2142 CA ALA A 134 4.073 11.546 -8.495 1.00 0.00 C ATOM 2143 C ALA A 134 3.647 11.044 -7.119 1.00 0.00 C ATOM 2144 O ALA A 134 4.408 10.359 -6.435 1.00 0.00 O ATOM 2145 CB ALA A 134 3.504 10.650 -9.585 1.00 0.00 C ATOM 0 H ALA A 134 6.018 10.853 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 134 3.677 12.553 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.419 10.609 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.770 11.052 -10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.915 9.646 -9.482 1.00 0.00 H new ATOM 2151 N ILE A 135 2.428 11.391 -6.720 1.00 0.00 N ATOM 2152 CA ILE A 135 1.902 10.975 -5.426 1.00 0.00 C ATOM 2153 C ILE A 135 2.656 11.646 -4.284 1.00 0.00 C ATOM 2154 O ILE A 135 3.156 10.978 -3.378 1.00 0.00 O ATOM 2155 CB ILE A 135 1.981 9.447 -5.251 1.00 0.00 C ATOM 2156 CG1 ILE A 135 1.475 8.740 -6.510 1.00 0.00 C ATOM 2157 CG2 ILE A 135 1.179 9.011 -4.034 1.00 0.00 C ATOM 2158 CD1 ILE A 135 2.084 7.372 -6.721 1.00 0.00 C ATOM 0 H ILE A 135 1.787 11.959 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 135 0.857 11.282 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 135 3.023 9.168 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.391 8.641 -6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.691 9.363 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 135 1.245 7.929 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.581 9.492 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.136 9.300 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.679 6.930 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 135 3.166 7.466 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.846 6.733 -5.871 1.00 0.00 H new ATOM 2170 N SER A 136 2.734 12.972 -4.332 1.00 0.00 N ATOM 2171 CA SER A 136 3.430 13.735 -3.302 1.00 0.00 C ATOM 2172 C SER A 136 2.611 13.782 -2.015 1.00 0.00 C ATOM 2173 O SER A 136 1.540 14.385 -1.969 1.00 0.00 O ATOM 2174 CB SER A 136 3.711 15.156 -3.793 1.00 0.00 C ATOM 2175 OG SER A 136 2.506 15.846 -4.077 1.00 0.00 O ATOM 0 H SER A 136 2.324 13.540 -5.073 1.00 0.00 H new ATOM 0 HA SER A 136 4.377 13.237 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 136 4.276 15.700 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 136 4.332 15.119 -4.688 1.00 0.00 H new ATOM 0 HG SER A 136 1.814 15.572 -3.440 1.00 0.00 H new ATOM 2181 N GLY A 137 3.126 13.140 -0.970 1.00 0.00 N ATOM 2182 CA GLY A 137 2.431 13.120 0.304 1.00 0.00 C ATOM 2183 C GLY A 137 2.695 14.365 1.128 1.00 0.00 C ATOM 2184 O GLY A 137 3.840 14.766 1.336 1.00 0.00 O ATOM 0 H GLY A 137 4.011 12.634 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 137 1.359 13.025 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 137 2.741 12.241 0.870 1.00 0.00 H new ATOM 2188 N PRO A 138 1.617 14.999 1.612 1.00 0.00 N ATOM 2189 CA PRO A 138 1.712 16.215 2.424 1.00 0.00 C ATOM 2190 C PRO A 138 2.294 15.945 3.807 1.00 0.00 C ATOM 2191 O PRO A 138 1.938 14.963 4.460 1.00 0.00 O ATOM 2192 CB PRO A 138 0.258 16.681 2.538 1.00 0.00 C ATOM 2193 CG PRO A 138 -0.551 15.443 2.359 1.00 0.00 C ATOM 2194 CD PRO A 138 0.221 14.577 1.403 1.00 0.00 C ATOM 0 HA PRO A 138 2.377 16.953 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 138 0.065 17.144 3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 138 0.019 17.424 1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -0.702 14.934 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -1.539 15.677 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 138 0.085 13.518 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -0.096 14.734 0.372 1.00 0.00 H new ATOM 2202 N SER A 139 3.190 16.821 4.249 1.00 0.00 N ATOM 2203 CA SER A 139 3.824 16.674 5.554 1.00 0.00 C ATOM 2204 C SER A 139 3.130 17.545 6.596 1.00 0.00 C ATOM 2205 O SER A 139 2.449 18.513 6.258 1.00 0.00 O ATOM 2206 CB SER A 139 5.306 17.044 5.469 1.00 0.00 C ATOM 2207 OG SER A 139 5.951 16.857 6.717 1.00 0.00 O ATOM 0 H SER A 139 3.494 17.640 3.723 1.00 0.00 H new ATOM 0 HA SER A 139 3.734 15.631 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 139 5.793 16.433 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 139 5.407 18.083 5.156 1.00 0.00 H new ATOM 0 HG SER A 139 6.897 17.099 6.636 1.00 0.00 H new ATOM 2213 N SER A 140 3.308 17.194 7.866 1.00 0.00 N ATOM 2214 CA SER A 140 2.697 17.941 8.959 1.00 0.00 C ATOM 2215 C SER A 140 3.763 18.557 9.859 1.00 0.00 C ATOM 2216 O SER A 140 3.738 19.755 10.139 1.00 0.00 O ATOM 2217 CB SER A 140 1.785 17.028 9.781 1.00 0.00 C ATOM 2218 OG SER A 140 0.481 16.977 9.227 1.00 0.00 O ATOM 0 H SER A 140 3.871 16.397 8.163 1.00 0.00 H new ATOM 0 HA SER A 140 2.101 18.746 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 140 2.208 16.024 9.817 1.00 0.00 H new ATOM 0 HB3 SER A 140 1.733 17.390 10.808 1.00 0.00 H new ATOM 0 HG SER A 140 -0.082 16.386 9.769 1.00 0.00 H new ATOM 2224 N GLY A 141 4.699 17.728 10.310 1.00 0.00 N ATOM 2225 CA GLY A 141 5.762 18.209 11.174 1.00 0.00 C ATOM 2226 C GLY A 141 6.492 19.400 10.587 1.00 0.00 C ATOM 2227 O GLY A 141 7.498 19.209 9.906 1.00 0.00 O ATOM 0 H GLY A 141 4.741 16.732 10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 141 5.343 18.485 12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 141 6.473 17.403 11.353 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.281 -8.850 4.213 1.00 0.00 ZN