USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 950 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 8 SER OG : rot 180:sc= 0.63 USER MOD Set 1.2: A 18 SER OG : rot 38:sc= 1.18 USER MOD Set 2.1: A 10 ASN : amide:sc= 1.13 K(o=1.3,f=0.52) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0.129 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0246 (180deg=-0.342) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0477 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.27) USER MOD Single : A 15 SER OG : rot 106:sc= 1.21 USER MOD Single : A 20 HIS : no HD1:sc= -0.0225 X(o=-0.022,f=-0.053) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= 0.0238 K(o=0.024,f=-2.8) USER MOD Single : A 41 SER OG : rot 7:sc=0.000728 USER MOD Single : A 45 ASN :FLIP amide:sc= -5.15! C(o=-5.7!,f=-5.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 51 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.05) USER MOD Single : A 53 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=0.0056) USER MOD Single : A 58 ASN : amide:sc= 0.335 X(o=0.33,f=-0.023) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= 0.081 (180deg=-0.4) USER MOD Single : A 84 MET CE :methyl 177:sc= -0.273 (180deg=-0.276) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 2.94 (180deg=2.83) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00653 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 102 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.65) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 82:sc= 1.06 USER MOD Single : A 107 GLN : amide:sc= -0.75 K(o=-0.75,f=-5.4!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -87:sc= 0.107 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-6.3!) USER MOD Single : A 118 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.014) USER MOD Single : A 119 HIS : no HE2:sc= 0.937 K(o=0.94,f=-3.8!) USER MOD Single : A 120 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 123 HIS : no HE2:sc= 0.1 K(o=0.1,f=-1.2) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.585 -9.614 -3.818 1.00 0.00 N ATOM 2 CA MET A 1 -4.201 -8.196 -3.646 1.00 0.00 C ATOM 3 C MET A 1 -2.833 -8.026 -2.982 1.00 0.00 C ATOM 4 O MET A 1 -2.266 -8.972 -2.430 1.00 0.00 O ATOM 5 CB MET A 1 -5.321 -7.373 -2.989 1.00 0.00 C ATOM 6 CG MET A 1 -5.287 -7.330 -1.465 1.00 0.00 C ATOM 7 SD MET A 1 -6.883 -6.978 -0.688 1.00 0.00 S ATOM 8 CE MET A 1 -7.752 -8.539 -1.023 1.00 0.00 C ATOM 0 H1 MET A 1 -4.775 -9.803 -4.823 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.810 -10.226 -3.491 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.441 -9.812 -3.261 1.00 0.00 H new ATOM 0 HA MET A 1 -4.075 -7.778 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.269 -6.352 -3.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.282 -7.780 -3.304 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.921 -8.288 -1.095 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.570 -6.572 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.611 -8.627 -0.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.093 -8.551 -2.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.075 -9.376 -0.854 1.00 0.00 H new ATOM 18 N ILE A 2 -2.306 -6.799 -3.037 1.00 0.00 N ATOM 19 CA ILE A 2 -1.156 -6.266 -2.305 1.00 0.00 C ATOM 20 C ILE A 2 -1.636 -4.878 -1.844 1.00 0.00 C ATOM 21 O ILE A 2 -2.426 -4.250 -2.556 1.00 0.00 O ATOM 22 CB ILE A 2 0.098 -6.133 -3.203 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.345 -7.369 -4.091 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.360 -5.840 -2.372 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.596 -7.244 -4.961 1.00 0.00 C ATOM 0 H ILE A 2 -2.711 -6.091 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.855 -6.920 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.108 -5.289 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.437 -8.251 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.522 -7.527 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.220 -5.753 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.227 -4.906 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.527 -6.653 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.713 -8.146 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.497 -6.380 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.471 -7.116 -4.324 1.00 0.00 H new ATOM 37 N ILE A 3 -1.168 -4.411 -0.692 1.00 0.00 N ATOM 38 CA ILE A 3 -1.613 -3.257 0.080 1.00 0.00 C ATOM 39 C ILE A 3 -0.390 -2.397 0.299 1.00 0.00 C ATOM 40 O ILE A 3 0.477 -2.783 1.079 1.00 0.00 O ATOM 41 CB ILE A 3 -2.136 -3.725 1.458 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.412 -4.547 1.270 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.357 -2.593 2.485 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.687 -5.416 2.502 1.00 0.00 C ATOM 0 H ILE A 3 -0.389 -4.879 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.407 -2.720 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.346 -4.340 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.256 -3.881 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.316 -5.180 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.724 -3.016 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.414 -2.077 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.089 -1.886 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.599 -5.991 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.851 -6.097 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.806 -4.778 3.378 1.00 0.00 H new ATOM 56 N ALA A 4 -0.315 -1.240 -0.341 1.00 0.00 N ATOM 57 CA ALA A 4 0.729 -0.273 0.022 1.00 0.00 C ATOM 58 C ALA A 4 0.301 0.533 1.233 1.00 0.00 C ATOM 59 O ALA A 4 -0.877 0.893 1.359 1.00 0.00 O ATOM 60 CB ALA A 4 1.097 0.694 -1.101 1.00 0.00 C ATOM 0 H ALA A 4 -0.939 -0.946 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 4 1.615 -0.870 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.874 1.375 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.464 0.132 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.216 1.266 -1.392 1.00 0.00 H new ATOM 66 N ILE A 5 1.291 0.920 2.036 1.00 0.00 N ATOM 67 CA ILE A 5 1.187 1.901 3.100 1.00 0.00 C ATOM 68 C ILE A 5 2.490 2.704 3.027 1.00 0.00 C ATOM 69 O ILE A 5 3.567 2.128 3.180 1.00 0.00 O ATOM 70 CB ILE A 5 0.969 1.246 4.483 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.390 0.517 4.497 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.987 2.320 5.590 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.673 -0.278 5.767 1.00 0.00 C ATOM 0 H ILE A 5 2.232 0.535 1.953 1.00 0.00 H new ATOM 0 HA ILE A 5 0.316 2.543 2.973 1.00 0.00 H new ATOM 0 HB ILE A 5 1.772 0.532 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.183 1.252 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.433 -0.160 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.832 1.846 6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.950 2.831 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.192 3.043 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.649 -0.756 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.095 -1.041 5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.667 0.394 6.626 1.00 0.00 H new ATOM 85 N PRO A 6 2.436 4.012 2.739 1.00 0.00 N ATOM 86 CA PRO A 6 3.576 4.891 2.914 1.00 0.00 C ATOM 87 C PRO A 6 3.837 5.053 4.407 1.00 0.00 C ATOM 88 O PRO A 6 2.922 5.484 5.109 1.00 0.00 O ATOM 89 CB PRO A 6 3.153 6.206 2.258 1.00 0.00 C ATOM 90 CG PRO A 6 1.631 6.219 2.300 1.00 0.00 C ATOM 91 CD PRO A 6 1.238 4.753 2.394 1.00 0.00 C ATOM 0 HA PRO A 6 4.499 4.518 2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.566 7.061 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.517 6.266 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.263 6.784 3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.214 6.685 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.465 4.609 3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.828 4.403 1.447 1.00 0.00 H new ATOM 99 N VAL A 7 5.048 4.777 4.890 1.00 0.00 N ATOM 100 CA VAL A 7 5.399 4.902 6.305 1.00 0.00 C ATOM 101 C VAL A 7 6.559 5.872 6.511 1.00 0.00 C ATOM 102 O VAL A 7 7.297 6.165 5.567 1.00 0.00 O ATOM 103 CB VAL A 7 5.660 3.526 6.951 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.370 2.729 7.117 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.690 2.640 6.237 1.00 0.00 C ATOM 0 H VAL A 7 5.820 4.457 4.305 1.00 0.00 H new ATOM 0 HA VAL A 7 4.539 5.329 6.821 1.00 0.00 H new ATOM 0 HB VAL A 7 6.089 3.785 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.594 1.766 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.680 3.282 7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.913 2.569 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.795 1.698 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.355 2.441 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.652 3.151 6.209 1.00 0.00 H new ATOM 115 N SER A 8 6.671 6.413 7.728 1.00 0.00 N ATOM 116 CA SER A 8 7.641 7.433 8.098 1.00 0.00 C ATOM 117 C SER A 8 8.955 6.855 8.632 1.00 0.00 C ATOM 118 O SER A 8 9.941 7.581 8.571 1.00 0.00 O ATOM 119 CB SER A 8 7.026 8.384 9.131 1.00 0.00 C ATOM 120 OG SER A 8 6.150 9.272 8.461 1.00 0.00 O ATOM 0 H SER A 8 6.067 6.140 8.503 1.00 0.00 H new ATOM 0 HA SER A 8 7.890 7.976 7.186 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.485 7.819 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.809 8.941 9.646 1.00 0.00 H new ATOM 0 HG SER A 8 5.747 9.886 9.110 1.00 0.00 H new ATOM 126 N GLU A 9 8.994 5.608 9.109 1.00 0.00 N ATOM 127 CA GLU A 9 10.203 4.893 9.490 1.00 0.00 C ATOM 128 C GLU A 9 9.974 3.409 9.204 1.00 0.00 C ATOM 129 O GLU A 9 8.832 2.940 9.206 1.00 0.00 O ATOM 130 CB GLU A 9 10.576 5.122 10.970 1.00 0.00 C ATOM 131 CG GLU A 9 11.125 6.529 11.191 1.00 0.00 C ATOM 132 CD GLU A 9 11.732 6.746 12.574 1.00 0.00 C ATOM 133 OE1 GLU A 9 12.898 6.359 12.809 1.00 0.00 O ATOM 134 OE2 GLU A 9 11.054 7.333 13.446 1.00 0.00 O ATOM 0 H GLU A 9 8.149 5.052 9.243 1.00 0.00 H new ATOM 0 HA GLU A 9 11.045 5.270 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.697 4.969 11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.319 4.387 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.883 6.735 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.321 7.250 11.041 1.00 0.00 H new ATOM 141 N ASN A 10 11.045 2.689 8.888 1.00 0.00 N ATOM 142 CA ASN A 10 11.041 1.335 8.306 1.00 0.00 C ATOM 143 C ASN A 10 10.815 0.215 9.343 1.00 0.00 C ATOM 144 O ASN A 10 11.413 -0.860 9.253 1.00 0.00 O ATOM 145 CB ASN A 10 12.367 1.103 7.554 1.00 0.00 C ATOM 146 CG ASN A 10 13.616 1.308 8.408 1.00 0.00 C ATOM 147 OD1 ASN A 10 13.914 0.528 9.309 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.316 2.420 8.236 1.00 0.00 N ATOM 0 H ASN A 10 11.990 3.044 9.035 1.00 0.00 H new ATOM 0 HA ASN A 10 10.194 1.285 7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.374 0.087 7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.410 1.779 6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.102 2.628 8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.069 3.068 7.488 1.00 0.00 H new ATOM 155 N ARG A 11 9.930 0.421 10.325 1.00 0.00 N ATOM 156 CA ARG A 11 9.836 -0.431 11.516 1.00 0.00 C ATOM 157 C ARG A 11 9.004 -1.700 11.280 1.00 0.00 C ATOM 158 O ARG A 11 8.292 -2.122 12.182 1.00 0.00 O ATOM 159 CB ARG A 11 9.315 0.445 12.666 1.00 0.00 C ATOM 160 CG ARG A 11 10.168 1.717 12.855 1.00 0.00 C ATOM 161 CD ARG A 11 10.164 2.216 14.301 1.00 0.00 C ATOM 162 NE ARG A 11 11.110 3.335 14.453 1.00 0.00 N ATOM 163 CZ ARG A 11 12.444 3.236 14.545 1.00 0.00 C ATOM 164 NH1 ARG A 11 13.037 2.046 14.611 1.00 0.00 N ATOM 165 NH2 ARG A 11 13.201 4.323 14.543 1.00 0.00 N ATOM 0 H ARG A 11 9.256 1.187 10.316 1.00 0.00 H new ATOM 0 HA ARG A 11 10.820 -0.822 11.777 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.281 0.728 12.467 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.315 -0.132 13.590 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.193 1.512 12.548 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.791 2.504 12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.161 2.537 14.580 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.438 1.404 14.975 1.00 0.00 H new ATOM 0 HE ARG A 11 10.713 4.274 14.492 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.476 1.195 14.592 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.053 1.986 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.770 5.245 14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.215 4.238 14.613 1.00 0.00 H new ATOM 179 N GLY A 12 9.105 -2.373 10.126 1.00 0.00 N ATOM 180 CA GLY A 12 8.333 -3.598 9.844 1.00 0.00 C ATOM 181 C GLY A 12 6.844 -3.384 10.074 1.00 0.00 C ATOM 182 O GLY A 12 6.295 -2.350 9.697 1.00 0.00 O ATOM 0 H GLY A 12 9.720 -2.088 9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.502 -3.907 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.688 -4.408 10.481 1.00 0.00 H new ATOM 186 N LYS A 13 6.175 -4.347 10.699 1.00 0.00 N ATOM 187 CA LYS A 13 4.782 -4.199 11.115 1.00 0.00 C ATOM 188 C LYS A 13 4.527 -2.950 11.967 1.00 0.00 C ATOM 189 O LYS A 13 3.429 -2.406 11.904 1.00 0.00 O ATOM 190 CB LYS A 13 4.242 -5.486 11.778 1.00 0.00 C ATOM 191 CG LYS A 13 5.179 -6.360 12.645 1.00 0.00 C ATOM 192 CD LYS A 13 5.038 -6.246 14.169 1.00 0.00 C ATOM 193 CE LYS A 13 5.697 -4.997 14.749 1.00 0.00 C ATOM 194 NZ LYS A 13 5.747 -5.041 16.225 1.00 0.00 N ATOM 0 H LYS A 13 6.582 -5.253 10.932 1.00 0.00 H new ATOM 0 HA LYS A 13 4.210 -4.043 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.396 -5.199 12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.850 -6.121 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.019 -7.402 12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.208 -6.115 12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.979 -6.243 14.429 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.478 -7.128 14.634 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.708 -4.902 14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.145 -4.113 14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.186 -4.169 16.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.782 -5.124 16.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.309 -5.861 16.529 1.00 0.00 H new ATOM 208 N ASP A 14 5.523 -2.473 12.718 1.00 0.00 N ATOM 209 CA ASP A 14 5.425 -1.312 13.608 1.00 0.00 C ATOM 210 C ASP A 14 5.582 0.017 12.858 1.00 0.00 C ATOM 211 O ASP A 14 5.476 1.070 13.481 1.00 0.00 O ATOM 212 CB ASP A 14 6.508 -1.401 14.709 1.00 0.00 C ATOM 213 CG ASP A 14 5.963 -1.725 16.094 1.00 0.00 C ATOM 214 OD1 ASP A 14 4.890 -1.221 16.482 1.00 0.00 O ATOM 215 OD2 ASP A 14 6.610 -2.539 16.795 1.00 0.00 O ATOM 0 H ASP A 14 6.450 -2.898 12.724 1.00 0.00 H new ATOM 0 HA ASP A 14 4.428 -1.331 14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.234 -2.164 14.428 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.044 -0.453 14.754 1.00 0.00 H new ATOM 220 N SER A 15 5.880 -0.007 11.554 1.00 0.00 N ATOM 221 CA SER A 15 6.042 1.174 10.707 1.00 0.00 C ATOM 222 C SER A 15 4.839 2.126 10.823 1.00 0.00 C ATOM 223 O SER A 15 3.737 1.734 10.430 1.00 0.00 O ATOM 224 CB SER A 15 6.290 0.769 9.262 1.00 0.00 C ATOM 225 OG SER A 15 7.390 -0.089 9.095 1.00 0.00 O ATOM 0 H SER A 15 6.019 -0.880 11.045 1.00 0.00 H new ATOM 0 HA SER A 15 6.917 1.720 11.061 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.397 0.280 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.447 1.667 8.665 1.00 0.00 H new ATOM 0 HG SER A 15 7.071 -0.998 8.915 1.00 0.00 H new ATOM 231 N PRO A 16 5.014 3.354 11.347 1.00 0.00 N ATOM 232 CA PRO A 16 3.938 4.335 11.428 1.00 0.00 C ATOM 233 C PRO A 16 3.664 4.938 10.049 1.00 0.00 C ATOM 234 O PRO A 16 4.602 5.307 9.333 1.00 0.00 O ATOM 235 CB PRO A 16 4.440 5.390 12.412 1.00 0.00 C ATOM 236 CG PRO A 16 5.958 5.360 12.244 1.00 0.00 C ATOM 237 CD PRO A 16 6.233 3.886 11.954 1.00 0.00 C ATOM 0 HA PRO A 16 2.996 3.898 11.760 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.033 6.375 12.183 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.147 5.153 13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.288 6.002 11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.472 5.699 13.144 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.083 3.774 11.281 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.478 3.348 12.870 1.00 0.00 H new ATOM 245 N ILE A 17 2.392 5.057 9.668 1.00 0.00 N ATOM 246 CA ILE A 17 1.964 5.650 8.403 1.00 0.00 C ATOM 247 C ILE A 17 2.490 7.087 8.268 1.00 0.00 C ATOM 248 O ILE A 17 2.550 7.848 9.234 1.00 0.00 O ATOM 249 CB ILE A 17 0.435 5.504 8.268 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.058 5.778 6.833 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.318 6.379 9.274 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.444 5.178 6.565 1.00 0.00 C ATOM 0 H ILE A 17 1.614 4.736 10.244 1.00 0.00 H new ATOM 0 HA ILE A 17 2.400 5.118 7.558 1.00 0.00 H new ATOM 0 HB ILE A 17 0.213 4.462 8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.092 6.854 6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.657 5.365 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.391 6.244 9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.038 6.092 10.287 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.061 7.426 9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.744 5.399 5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.406 4.098 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.167 5.610 7.257 1.00 0.00 H new ATOM 264 N SER A 18 2.893 7.461 7.056 1.00 0.00 N ATOM 265 CA SER A 18 3.457 8.759 6.735 1.00 0.00 C ATOM 266 C SER A 18 2.362 9.710 6.288 1.00 0.00 C ATOM 267 O SER A 18 1.353 9.292 5.705 1.00 0.00 O ATOM 268 CB SER A 18 4.456 8.611 5.584 1.00 0.00 C ATOM 269 OG SER A 18 5.624 9.381 5.789 1.00 0.00 O ATOM 0 H SER A 18 2.832 6.844 6.246 1.00 0.00 H new ATOM 0 HA SER A 18 3.950 9.152 7.624 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.729 7.561 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.981 8.915 4.651 1.00 0.00 H new ATOM 0 HG SER A 18 5.866 9.362 6.739 1.00 0.00 H new ATOM 275 N GLU A 19 2.621 11.008 6.426 1.00 0.00 N ATOM 276 CA GLU A 19 1.646 12.003 6.041 1.00 0.00 C ATOM 277 C GLU A 19 1.492 12.054 4.525 1.00 0.00 C ATOM 278 O GLU A 19 0.369 12.165 4.067 1.00 0.00 O ATOM 279 CB GLU A 19 1.967 13.406 6.589 1.00 0.00 C ATOM 280 CG GLU A 19 1.855 13.562 8.117 1.00 0.00 C ATOM 281 CD GLU A 19 3.131 13.237 8.906 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.971 12.448 8.417 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.264 13.775 10.034 1.00 0.00 O ATOM 0 H GLU A 19 3.492 11.385 6.799 1.00 0.00 H new ATOM 0 HA GLU A 19 0.702 11.694 6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.980 13.672 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.295 14.124 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.561 14.588 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.053 12.916 8.474 1.00 0.00 H new ATOM 290 N HIS A 20 2.546 11.950 3.708 1.00 0.00 N ATOM 291 CA HIS A 20 2.425 12.196 2.263 1.00 0.00 C ATOM 292 C HIS A 20 3.126 11.090 1.495 1.00 0.00 C ATOM 293 O HIS A 20 4.344 10.959 1.568 1.00 0.00 O ATOM 294 CB HIS A 20 3.028 13.565 1.901 1.00 0.00 C ATOM 295 CG HIS A 20 2.765 14.681 2.883 1.00 0.00 C ATOM 296 ND1 HIS A 20 3.752 15.326 3.590 1.00 0.00 N ATOM 297 CD2 HIS A 20 1.560 15.180 3.296 1.00 0.00 C ATOM 298 CE1 HIS A 20 3.175 16.213 4.405 1.00 0.00 C ATOM 299 NE2 HIS A 20 1.840 16.149 4.246 1.00 0.00 N ATOM 0 H HIS A 20 3.485 11.700 4.017 1.00 0.00 H new ATOM 0 HA HIS A 20 1.370 12.203 1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.106 13.448 1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.641 13.865 0.927 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.583 14.878 2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.695 16.874 5.082 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.152 16.717 4.740 1.00 0.00 H new ATOM 308 N PHE A 21 2.358 10.339 0.705 1.00 0.00 N ATOM 309 CA PHE A 21 2.836 9.296 -0.198 1.00 0.00 C ATOM 310 C PHE A 21 4.106 9.709 -0.947 1.00 0.00 C ATOM 311 O PHE A 21 5.096 8.989 -0.920 1.00 0.00 O ATOM 312 CB PHE A 21 1.714 8.948 -1.186 1.00 0.00 C ATOM 313 CG PHE A 21 2.141 8.066 -2.347 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.394 6.700 -2.132 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.309 8.613 -3.638 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.856 5.900 -3.191 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.729 7.799 -4.709 1.00 0.00 C ATOM 318 CZ PHE A 21 3.027 6.452 -4.472 1.00 0.00 C ATOM 0 H PHE A 21 1.344 10.447 0.677 1.00 0.00 H new ATOM 0 HA PHE A 21 3.100 8.421 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.913 8.447 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.299 9.874 -1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.234 6.267 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.114 9.662 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.080 4.858 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.820 8.211 -5.703 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.391 5.833 -5.279 1.00 0.00 H new ATOM 328 N GLY A 22 4.092 10.857 -1.630 1.00 0.00 N ATOM 329 CA GLY A 22 5.113 11.157 -2.618 1.00 0.00 C ATOM 330 C GLY A 22 6.495 11.506 -2.058 1.00 0.00 C ATOM 331 O GLY A 22 7.400 11.699 -2.860 1.00 0.00 O ATOM 0 H GLY A 22 3.387 11.585 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.216 10.297 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.768 11.991 -3.229 1.00 0.00 H new ATOM 335 N ARG A 23 6.685 11.614 -0.741 1.00 0.00 N ATOM 336 CA ARG A 23 8.010 11.566 -0.124 1.00 0.00 C ATOM 337 C ARG A 23 7.913 10.724 1.148 1.00 0.00 C ATOM 338 O ARG A 23 8.461 11.078 2.190 1.00 0.00 O ATOM 339 CB ARG A 23 8.593 12.979 0.101 1.00 0.00 C ATOM 340 CG ARG A 23 7.910 13.849 1.188 1.00 0.00 C ATOM 341 CD ARG A 23 8.904 14.319 2.266 1.00 0.00 C ATOM 342 NE ARG A 23 8.196 14.870 3.433 1.00 0.00 N ATOM 343 CZ ARG A 23 8.710 15.537 4.475 1.00 0.00 C ATOM 344 NH1 ARG A 23 9.949 16.012 4.441 1.00 0.00 N ATOM 345 NH2 ARG A 23 7.958 15.747 5.547 1.00 0.00 N ATOM 0 H ARG A 23 5.924 11.737 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 23 8.724 11.088 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.647 12.875 0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.550 13.520 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.448 14.718 0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.110 13.278 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.530 13.483 2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.568 15.076 1.848 1.00 0.00 H new ATOM 0 HE ARG A 23 7.186 14.726 3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.526 15.872 3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.324 16.517 5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.999 15.402 5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.339 16.254 6.346 1.00 0.00 H new ATOM 359 N ALA A 24 7.139 9.645 1.100 1.00 0.00 N ATOM 360 CA ALA A 24 7.140 8.667 2.170 1.00 0.00 C ATOM 361 C ALA A 24 8.521 8.021 2.137 1.00 0.00 C ATOM 362 O ALA A 24 8.910 7.546 1.064 1.00 0.00 O ATOM 363 CB ALA A 24 6.052 7.636 1.922 1.00 0.00 C ATOM 0 H ALA A 24 6.505 9.430 0.330 1.00 0.00 H new ATOM 0 HA ALA A 24 6.941 9.117 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.055 6.902 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.082 8.132 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.237 7.133 0.973 1.00 0.00 H new ATOM 369 N PRO A 25 9.268 7.997 3.248 1.00 0.00 N ATOM 370 CA PRO A 25 10.598 7.418 3.249 1.00 0.00 C ATOM 371 C PRO A 25 10.598 5.914 2.943 1.00 0.00 C ATOM 372 O PRO A 25 11.638 5.357 2.595 1.00 0.00 O ATOM 373 CB PRO A 25 11.209 7.751 4.607 1.00 0.00 C ATOM 374 CG PRO A 25 10.007 8.034 5.488 1.00 0.00 C ATOM 375 CD PRO A 25 8.991 8.627 4.522 1.00 0.00 C ATOM 0 HA PRO A 25 11.200 7.841 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.801 6.921 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.872 8.614 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.631 7.125 5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.252 8.730 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.971 8.424 4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.095 9.710 4.457 1.00 0.00 H new ATOM 383 N TYR A 26 9.440 5.257 3.048 1.00 0.00 N ATOM 384 CA TYR A 26 9.292 3.829 2.857 1.00 0.00 C ATOM 385 C TYR A 26 7.883 3.541 2.327 1.00 0.00 C ATOM 386 O TYR A 26 6.933 4.253 2.677 1.00 0.00 O ATOM 387 CB TYR A 26 9.516 3.188 4.229 1.00 0.00 C ATOM 388 CG TYR A 26 10.886 3.422 4.818 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.987 2.731 4.285 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.069 4.401 5.816 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.283 3.074 4.706 1.00 0.00 C ATOM 392 CE2 TYR A 26 12.362 4.725 6.255 1.00 0.00 C ATOM 393 CZ TYR A 26 13.473 4.093 5.663 1.00 0.00 C ATOM 394 OH TYR A 26 14.724 4.427 6.068 1.00 0.00 O ATOM 0 H TYR A 26 8.562 5.724 3.274 1.00 0.00 H new ATOM 0 HA TYR A 26 10.002 3.427 2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.767 3.573 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.350 2.114 4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.839 1.945 3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.213 4.902 6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.137 2.556 4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.504 5.453 7.040 1.00 0.00 H new ATOM 0 HH TYR A 26 14.672 5.148 6.730 1.00 0.00 H new ATOM 404 N PHE A 27 7.738 2.485 1.521 1.00 0.00 N ATOM 405 CA PHE A 27 6.436 1.948 1.091 1.00 0.00 C ATOM 406 C PHE A 27 6.341 0.493 1.529 1.00 0.00 C ATOM 407 O PHE A 27 6.942 -0.367 0.886 1.00 0.00 O ATOM 408 CB PHE A 27 6.208 2.006 -0.433 1.00 0.00 C ATOM 409 CG PHE A 27 6.127 3.391 -1.043 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.325 4.383 -0.463 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.839 3.692 -2.213 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.274 5.663 -1.030 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.771 4.961 -2.800 1.00 0.00 C ATOM 414 CZ PHE A 27 5.983 5.953 -2.205 1.00 0.00 C ATOM 0 H PHE A 27 8.532 1.969 1.141 1.00 0.00 H new ATOM 0 HA PHE A 27 5.673 2.574 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.017 1.463 -0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.284 1.476 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.746 4.161 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.452 2.930 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.683 6.434 -0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.322 5.173 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.921 6.936 -2.648 1.00 0.00 H new ATOM 424 N ALA A 28 5.587 0.194 2.588 1.00 0.00 N ATOM 425 CA ALA A 28 5.323 -1.176 2.992 1.00 0.00 C ATOM 426 C ALA A 28 4.202 -1.714 2.109 1.00 0.00 C ATOM 427 O ALA A 28 3.058 -1.289 2.257 1.00 0.00 O ATOM 428 CB ALA A 28 4.946 -1.223 4.479 1.00 0.00 C ATOM 0 H ALA A 28 5.147 0.896 3.183 1.00 0.00 H new ATOM 0 HA ALA A 28 6.210 -1.797 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.750 -2.254 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.768 -0.826 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.052 -0.622 4.647 1.00 0.00 H new ATOM 434 N PHE A 29 4.513 -2.599 1.164 1.00 0.00 N ATOM 435 CA PHE A 29 3.550 -3.335 0.364 1.00 0.00 C ATOM 436 C PHE A 29 3.331 -4.690 1.038 1.00 0.00 C ATOM 437 O PHE A 29 4.020 -5.659 0.730 1.00 0.00 O ATOM 438 CB PHE A 29 4.007 -3.465 -1.101 1.00 0.00 C ATOM 439 CG PHE A 29 3.385 -2.475 -2.082 1.00 0.00 C ATOM 440 CD1 PHE A 29 1.986 -2.405 -2.254 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.201 -1.647 -2.875 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.412 -1.488 -3.147 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.622 -0.818 -3.852 1.00 0.00 C ATOM 444 CZ PHE A 29 2.227 -0.698 -3.963 1.00 0.00 C ATOM 0 H PHE A 29 5.479 -2.828 0.930 1.00 0.00 H new ATOM 0 HA PHE A 29 2.603 -2.797 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.090 -3.349 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.783 -4.475 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.347 -3.068 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.272 -1.648 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.338 -1.392 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.259 -0.266 -4.527 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.791 -0.006 -4.668 1.00 0.00 H new ATOM 454 N VAL A 30 2.374 -4.786 1.955 1.00 0.00 N ATOM 455 CA VAL A 30 1.994 -6.064 2.552 1.00 0.00 C ATOM 456 C VAL A 30 1.084 -6.765 1.547 1.00 0.00 C ATOM 457 O VAL A 30 0.403 -6.128 0.747 1.00 0.00 O ATOM 458 CB VAL A 30 1.316 -5.812 3.920 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.928 -7.103 4.655 1.00 0.00 C ATOM 460 CG2 VAL A 30 2.279 -5.047 4.848 1.00 0.00 C ATOM 0 H VAL A 30 1.843 -3.988 2.304 1.00 0.00 H new ATOM 0 HA VAL A 30 2.852 -6.705 2.755 1.00 0.00 H new ATOM 0 HB VAL A 30 0.411 -5.246 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.458 -6.853 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.229 -7.674 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.821 -7.700 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.796 -4.873 5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.184 -5.636 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.539 -4.091 4.394 1.00 0.00 H new ATOM 470 N LYS A 31 1.141 -8.089 1.503 1.00 0.00 N ATOM 471 CA LYS A 31 0.378 -8.895 0.565 1.00 0.00 C ATOM 472 C LYS A 31 -0.972 -9.228 1.191 1.00 0.00 C ATOM 473 O LYS A 31 -1.342 -8.653 2.214 1.00 0.00 O ATOM 474 CB LYS A 31 1.250 -10.090 0.139 1.00 0.00 C ATOM 475 CG LYS A 31 2.444 -9.536 -0.654 1.00 0.00 C ATOM 476 CD LYS A 31 3.062 -10.564 -1.600 1.00 0.00 C ATOM 477 CE LYS A 31 3.968 -9.848 -2.613 1.00 0.00 C ATOM 478 NZ LYS A 31 5.401 -9.933 -2.265 1.00 0.00 N ATOM 0 H LYS A 31 1.728 -8.640 2.129 1.00 0.00 H new ATOM 0 HA LYS A 31 0.133 -8.373 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.594 -10.643 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.674 -10.785 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.120 -8.669 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.206 -9.188 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.639 -11.295 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.277 -11.112 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.813 -10.282 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.676 -8.800 -2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.963 -9.433 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.559 -9.495 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.692 -10.931 -2.232 1.00 0.00 H new ATOM 492 N VAL A 32 -1.737 -10.119 0.563 1.00 0.00 N ATOM 493 CA VAL A 32 -2.841 -10.801 1.219 1.00 0.00 C ATOM 494 C VAL A 32 -2.857 -12.232 0.677 1.00 0.00 C ATOM 495 O VAL A 32 -2.836 -12.426 -0.544 1.00 0.00 O ATOM 496 CB VAL A 32 -4.174 -10.049 0.975 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.409 -10.726 1.589 1.00 0.00 C ATOM 498 CG2 VAL A 32 -4.195 -8.590 1.445 1.00 0.00 C ATOM 0 H VAL A 32 -1.606 -10.385 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.716 -10.823 2.302 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.228 -10.082 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.296 -10.132 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.526 -11.723 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.282 -10.804 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.170 -8.152 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.009 -8.551 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.421 -8.028 0.922 1.00 0.00 H new ATOM 508 N LYS A 33 -2.874 -13.241 1.555 1.00 0.00 N ATOM 509 CA LYS A 33 -3.090 -14.638 1.187 1.00 0.00 C ATOM 510 C LYS A 33 -4.561 -14.908 1.369 1.00 0.00 C ATOM 511 O LYS A 33 -4.992 -15.063 2.511 1.00 0.00 O ATOM 512 CB LYS A 33 -2.311 -15.646 2.053 1.00 0.00 C ATOM 513 CG LYS A 33 -2.275 -17.004 1.325 1.00 0.00 C ATOM 514 CD LYS A 33 -2.573 -18.202 2.224 1.00 0.00 C ATOM 515 CE LYS A 33 -4.077 -18.333 2.491 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.373 -19.600 3.196 1.00 0.00 N ATOM 0 H LYS A 33 -2.736 -13.104 2.556 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.737 -14.772 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.298 -15.286 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.787 -15.753 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.998 -16.986 0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.291 -17.137 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.203 -19.114 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.041 -18.092 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.420 -17.489 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.623 -18.299 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.396 -19.671 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.064 -20.403 2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.867 -19.618 4.105 1.00 0.00 H new ATOM 530 N ASN A 34 -5.322 -14.984 0.284 1.00 0.00 N ATOM 531 CA ASN A 34 -6.776 -15.071 0.304 1.00 0.00 C ATOM 532 C ASN A 34 -7.379 -13.849 1.012 1.00 0.00 C ATOM 533 O ASN A 34 -7.749 -12.873 0.361 1.00 0.00 O ATOM 534 CB ASN A 34 -7.246 -16.426 0.866 1.00 0.00 C ATOM 535 CG ASN A 34 -8.758 -16.604 0.756 1.00 0.00 C ATOM 536 OD1 ASN A 34 -9.445 -15.896 0.020 1.00 0.00 O ATOM 537 ND2 ASN A 34 -9.302 -17.547 1.505 1.00 0.00 N ATOM 0 H ASN A 34 -4.934 -14.987 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.154 -15.041 -0.718 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.747 -17.233 0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.948 -16.507 1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.310 -17.700 1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.714 -18.122 2.108 1.00 0.00 H new ATOM 544 N ASN A 35 -7.401 -13.882 2.341 1.00 0.00 N ATOM 545 CA ASN A 35 -7.998 -12.961 3.300 1.00 0.00 C ATOM 546 C ASN A 35 -7.079 -12.638 4.485 1.00 0.00 C ATOM 547 O ASN A 35 -7.476 -11.861 5.353 1.00 0.00 O ATOM 548 CB ASN A 35 -9.286 -13.596 3.843 1.00 0.00 C ATOM 549 CG ASN A 35 -9.138 -15.053 4.284 1.00 0.00 C ATOM 550 OD1 ASN A 35 -8.050 -15.539 4.588 1.00 0.00 O ATOM 551 ND2 ASN A 35 -10.220 -15.804 4.241 1.00 0.00 N ATOM 0 H ASN A 35 -6.943 -14.651 2.830 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.188 -12.025 2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.637 -13.007 4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.056 -13.539 3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.160 -16.798 4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.118 -15.391 3.988 1.00 0.00 H new ATOM 558 N ALA A 36 -5.874 -13.204 4.537 1.00 0.00 N ATOM 559 CA ALA A 36 -4.895 -13.038 5.601 1.00 0.00 C ATOM 560 C ALA A 36 -3.693 -12.252 5.055 1.00 0.00 C ATOM 561 O ALA A 36 -3.701 -11.938 3.874 1.00 0.00 O ATOM 562 CB ALA A 36 -4.443 -14.423 6.083 1.00 0.00 C ATOM 0 H ALA A 36 -5.541 -13.822 3.797 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.332 -12.492 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.709 -14.309 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.304 -14.976 6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.995 -14.969 5.253 1.00 0.00 H new ATOM 568 N ILE A 37 -2.635 -11.970 5.826 1.00 0.00 N ATOM 569 CA ILE A 37 -1.570 -11.037 5.435 1.00 0.00 C ATOM 570 C ILE A 37 -0.702 -11.535 4.275 1.00 0.00 C ATOM 571 O ILE A 37 -0.108 -10.711 3.592 1.00 0.00 O ATOM 572 CB ILE A 37 -0.746 -10.636 6.698 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.156 -9.233 7.193 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.788 -10.658 6.558 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.571 -9.211 7.770 1.00 0.00 C ATOM 0 H ILE A 37 -2.493 -12.386 6.746 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.041 -10.141 5.030 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.995 -11.421 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.451 -8.898 7.954 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.092 -8.526 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.244 -10.360 7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.115 -11.665 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.092 -9.964 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.812 -8.202 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.282 -9.519 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.630 -9.897 8.615 1.00 0.00 H new ATOM 587 N ALA A 38 -0.629 -12.842 4.001 1.00 0.00 N ATOM 588 CA ALA A 38 0.447 -13.468 3.224 1.00 0.00 C ATOM 589 C ALA A 38 1.832 -13.127 3.771 1.00 0.00 C ATOM 590 O ALA A 38 2.486 -14.001 4.337 1.00 0.00 O ATOM 591 CB ALA A 38 0.356 -13.157 1.717 1.00 0.00 C ATOM 0 H ALA A 38 -1.332 -13.509 4.320 1.00 0.00 H new ATOM 0 HA ALA A 38 0.303 -14.542 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.178 -13.647 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.593 -13.524 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.419 -12.080 1.563 1.00 0.00 H new ATOM 597 N ASP A 39 2.313 -11.910 3.548 1.00 0.00 N ATOM 598 CA ASP A 39 3.685 -11.509 3.815 1.00 0.00 C ATOM 599 C ASP A 39 3.796 -9.992 3.841 1.00 0.00 C ATOM 600 O ASP A 39 3.049 -9.300 3.150 1.00 0.00 O ATOM 601 CB ASP A 39 4.589 -12.016 2.686 1.00 0.00 C ATOM 602 CG ASP A 39 6.060 -12.143 3.089 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.368 -12.650 4.199 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.913 -11.781 2.251 1.00 0.00 O ATOM 0 H ASP A 39 1.742 -11.156 3.166 1.00 0.00 H new ATOM 0 HA ASP A 39 3.984 -11.925 4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.227 -12.988 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.511 -11.337 1.837 1.00 0.00 H new ATOM 609 N ILE A 40 4.773 -9.477 4.572 1.00 0.00 N ATOM 610 CA ILE A 40 5.194 -8.086 4.543 1.00 0.00 C ATOM 611 C ILE A 40 6.067 -7.882 3.287 1.00 0.00 C ATOM 612 O ILE A 40 6.720 -8.811 2.807 1.00 0.00 O ATOM 613 CB ILE A 40 5.957 -7.791 5.867 1.00 0.00 C ATOM 614 CG1 ILE A 40 5.109 -7.976 7.155 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.606 -6.399 5.897 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.998 -6.944 7.406 1.00 0.00 C ATOM 0 H ILE A 40 5.315 -10.040 5.227 1.00 0.00 H new ATOM 0 HA ILE A 40 4.356 -7.392 4.481 1.00 0.00 H new ATOM 0 HB ILE A 40 6.738 -8.551 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.653 -8.965 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.784 -7.964 8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.121 -6.258 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.322 -6.314 5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.836 -5.636 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.481 -7.185 8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.436 -5.949 7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.288 -6.966 6.580 1.00 0.00 H new ATOM 628 N SER A 41 6.144 -6.654 2.784 1.00 0.00 N ATOM 629 CA SER A 41 7.367 -6.084 2.224 1.00 0.00 C ATOM 630 C SER A 41 7.623 -4.733 2.898 1.00 0.00 C ATOM 631 O SER A 41 6.678 -4.098 3.373 1.00 0.00 O ATOM 632 CB SER A 41 7.270 -5.918 0.702 1.00 0.00 C ATOM 633 OG SER A 41 7.104 -7.140 -0.002 1.00 0.00 O ATOM 0 H SER A 41 5.348 -6.017 2.753 1.00 0.00 H new ATOM 0 HA SER A 41 8.197 -6.764 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.432 -5.261 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.172 -5.423 0.342 1.00 0.00 H new ATOM 0 HG SER A 41 6.978 -7.872 0.638 1.00 0.00 H new ATOM 639 N VAL A 42 8.887 -4.302 2.930 1.00 0.00 N ATOM 640 CA VAL A 42 9.301 -2.987 3.398 1.00 0.00 C ATOM 641 C VAL A 42 10.386 -2.451 2.452 1.00 0.00 C ATOM 642 O VAL A 42 11.567 -2.354 2.780 1.00 0.00 O ATOM 643 CB VAL A 42 9.635 -3.039 4.902 1.00 0.00 C ATOM 644 CG1 VAL A 42 10.792 -3.970 5.308 1.00 0.00 C ATOM 645 CG2 VAL A 42 9.826 -1.622 5.473 1.00 0.00 C ATOM 0 H VAL A 42 9.669 -4.879 2.621 1.00 0.00 H new ATOM 0 HA VAL A 42 8.500 -2.249 3.350 1.00 0.00 H new ATOM 0 HB VAL A 42 8.759 -3.503 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.935 -3.924 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.555 -4.993 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.707 -3.653 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.061 -1.686 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.644 -1.126 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.909 -1.049 5.338 1.00 0.00 H new ATOM 655 N GLU A 43 9.974 -2.106 1.243 1.00 0.00 N ATOM 656 CA GLU A 43 10.837 -1.629 0.167 1.00 0.00 C ATOM 657 C GLU A 43 11.145 -0.137 0.403 1.00 0.00 C ATOM 658 O GLU A 43 10.238 0.650 0.697 1.00 0.00 O ATOM 659 CB GLU A 43 10.124 -1.819 -1.181 1.00 0.00 C ATOM 660 CG GLU A 43 9.638 -3.255 -1.469 1.00 0.00 C ATOM 661 CD GLU A 43 10.654 -4.197 -2.100 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.291 -3.799 -3.093 1.00 0.00 O ATOM 663 OE2 GLU A 43 10.726 -5.379 -1.686 1.00 0.00 O ATOM 0 H GLU A 43 8.992 -2.151 0.971 1.00 0.00 H new ATOM 0 HA GLU A 43 11.770 -2.193 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.266 -1.148 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.802 -1.515 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.299 -3.696 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.771 -3.197 -2.126 1.00 0.00 H new ATOM 670 N GLU A 44 12.415 0.254 0.320 1.00 0.00 N ATOM 671 CA GLU A 44 12.816 1.658 0.454 1.00 0.00 C ATOM 672 C GLU A 44 12.503 2.455 -0.809 1.00 0.00 C ATOM 673 O GLU A 44 12.345 1.898 -1.896 1.00 0.00 O ATOM 674 CB GLU A 44 14.331 1.755 0.734 1.00 0.00 C ATOM 675 CG GLU A 44 14.740 1.065 2.031 1.00 0.00 C ATOM 676 CD GLU A 44 15.967 1.688 2.708 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.104 2.937 2.711 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.700 0.938 3.390 1.00 0.00 O ATOM 0 H GLU A 44 13.192 -0.386 0.159 1.00 0.00 H new ATOM 0 HA GLU A 44 12.249 2.078 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.878 1.310 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.620 2.805 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.901 1.093 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.946 0.015 1.823 1.00 0.00 H new ATOM 685 N ASN A 45 12.495 3.780 -0.651 1.00 0.00 N ATOM 686 CA ASN A 45 12.047 4.851 -1.526 1.00 0.00 C ATOM 687 C ASN A 45 13.030 5.211 -2.663 1.00 0.00 C ATOM 688 O ASN A 45 13.892 6.077 -2.497 1.00 0.00 O ATOM 689 CB ASN A 45 11.859 6.054 -0.569 1.00 0.00 C ATOM 690 CG ASN A 45 13.105 6.463 0.270 1.00 0.00 C ATOM 691 OD1 ASN A 45 13.007 7.508 1.067 1.00 0.00 O flip ATOM 692 ND2 ASN A 45 14.173 5.865 0.250 1.00 0.00 N flip ATOM 0 H ASN A 45 12.855 4.174 0.218 1.00 0.00 H new ATOM 0 HA ASN A 45 11.144 4.551 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.544 6.915 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.044 5.823 0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.290 5.051 -0.353 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.945 6.181 0.837 1.00 0.00 H new ATOM 699 N PRO A 46 12.884 4.669 -3.894 1.00 0.00 N ATOM 700 CA PRO A 46 13.916 4.817 -4.918 1.00 0.00 C ATOM 701 C PRO A 46 14.040 6.235 -5.489 1.00 0.00 C ATOM 702 O PRO A 46 15.102 6.597 -6.006 1.00 0.00 O ATOM 703 CB PRO A 46 13.512 3.827 -6.028 1.00 0.00 C ATOM 704 CG PRO A 46 12.006 3.726 -5.888 1.00 0.00 C ATOM 705 CD PRO A 46 11.793 3.843 -4.373 1.00 0.00 C ATOM 0 HA PRO A 46 14.896 4.617 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 46 13.799 4.192 -7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.993 2.858 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.496 4.522 -6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.627 2.781 -6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.828 4.296 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.805 2.862 -3.898 1.00 0.00 H new ATOM 713 N LEU A 47 12.976 7.049 -5.447 1.00 0.00 N ATOM 714 CA LEU A 47 12.969 8.409 -6.013 1.00 0.00 C ATOM 715 C LEU A 47 12.359 9.365 -4.993 1.00 0.00 C ATOM 716 O LEU A 47 11.602 10.273 -5.343 1.00 0.00 O ATOM 717 CB LEU A 47 12.163 8.442 -7.318 1.00 0.00 C ATOM 718 CG LEU A 47 12.761 7.548 -8.413 1.00 0.00 C ATOM 719 CD1 LEU A 47 11.685 6.621 -8.925 1.00 0.00 C ATOM 720 CD2 LEU A 47 13.391 8.351 -9.555 1.00 0.00 C ATOM 0 H LEU A 47 12.090 6.783 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 47 13.991 8.714 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.140 8.124 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.112 9.468 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 47 13.574 6.968 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.097 5.980 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.316 6.004 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.864 7.208 -9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.798 7.667 -10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.632 8.982 -10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.192 8.976 -9.161 1.00 0.00 H new ATOM 732 N ALA A 48 12.690 9.165 -3.718 1.00 0.00 N ATOM 733 CA ALA A 48 12.093 9.851 -2.584 1.00 0.00 C ATOM 734 C ALA A 48 12.255 11.363 -2.697 1.00 0.00 C ATOM 735 O ALA A 48 11.360 12.121 -2.309 1.00 0.00 O ATOM 736 CB ALA A 48 12.800 9.341 -1.332 1.00 0.00 C ATOM 0 H ALA A 48 13.408 8.495 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 48 11.023 9.649 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.382 9.831 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.659 8.263 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.865 9.563 -1.399 1.00 0.00 H new ATOM 742 N GLN A 49 13.406 11.800 -3.200 1.00 0.00 N ATOM 743 CA GLN A 49 13.734 13.201 -3.379 1.00 0.00 C ATOM 744 C GLN A 49 14.467 13.432 -4.707 1.00 0.00 C ATOM 745 O GLN A 49 14.775 14.576 -5.044 1.00 0.00 O ATOM 746 CB GLN A 49 14.523 13.684 -2.141 1.00 0.00 C ATOM 747 CG GLN A 49 14.428 15.205 -1.975 1.00 0.00 C ATOM 748 CD GLN A 49 14.943 15.735 -0.641 1.00 0.00 C ATOM 749 OE1 GLN A 49 15.884 15.225 -0.051 1.00 0.00 O ATOM 750 NE2 GLN A 49 14.342 16.790 -0.121 1.00 0.00 N ATOM 0 H GLN A 49 14.151 11.171 -3.500 1.00 0.00 H new ATOM 0 HA GLN A 49 12.826 13.800 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.136 13.194 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.569 13.392 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.989 15.680 -2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.387 15.505 -2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.556 17.221 -0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.664 17.174 0.767 1.00 0.00 H new ATOM 759 N ASP A 50 14.706 12.385 -5.501 1.00 0.00 N ATOM 760 CA ASP A 50 15.687 12.418 -6.578 1.00 0.00 C ATOM 761 C ASP A 50 14.980 12.360 -7.925 1.00 0.00 C ATOM 762 O ASP A 50 14.293 11.374 -8.200 1.00 0.00 O ATOM 763 CB ASP A 50 16.674 11.249 -6.426 1.00 0.00 C ATOM 764 CG ASP A 50 17.994 11.544 -7.139 1.00 0.00 C ATOM 765 OD1 ASP A 50 18.349 12.732 -7.317 1.00 0.00 O ATOM 766 OD2 ASP A 50 18.676 10.599 -7.580 1.00 0.00 O ATOM 0 H ASP A 50 14.222 11.492 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 50 16.250 13.350 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.862 11.064 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 50 16.232 10.341 -6.835 1.00 0.00 H new ATOM 771 N HIS A 51 15.085 13.419 -8.743 1.00 0.00 N ATOM 772 CA HIS A 51 14.306 13.680 -9.970 1.00 0.00 C ATOM 773 C HIS A 51 12.793 13.807 -9.711 1.00 0.00 C ATOM 774 O HIS A 51 12.180 14.775 -10.152 1.00 0.00 O ATOM 775 CB HIS A 51 14.635 12.659 -11.091 1.00 0.00 C ATOM 776 CG HIS A 51 15.579 13.124 -12.182 1.00 0.00 C ATOM 777 ND1 HIS A 51 15.692 12.573 -13.455 1.00 0.00 N ATOM 778 CD2 HIS A 51 16.503 14.129 -12.080 1.00 0.00 C ATOM 779 CE1 HIS A 51 16.653 13.257 -14.102 1.00 0.00 C ATOM 780 NE2 HIS A 51 17.171 14.186 -13.285 1.00 0.00 N ATOM 0 H HIS A 51 15.757 14.164 -8.556 1.00 0.00 H new ATOM 0 HA HIS A 51 14.622 14.659 -10.330 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.063 11.771 -10.627 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.699 12.354 -11.559 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.676 14.758 -11.219 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.960 13.084 -15.123 1.00 0.00 H new ATOM 0 HE2 HIS A 51 17.931 14.826 -13.516 1.00 0.00 H new ATOM 789 N VAL A 52 12.175 12.877 -8.990 1.00 0.00 N ATOM 790 CA VAL A 52 10.777 12.820 -8.586 1.00 0.00 C ATOM 791 C VAL A 52 9.833 12.851 -9.800 1.00 0.00 C ATOM 792 O VAL A 52 9.481 11.757 -10.247 1.00 0.00 O ATOM 793 CB VAL A 52 10.458 13.830 -7.461 1.00 0.00 C ATOM 794 CG1 VAL A 52 9.102 13.504 -6.815 1.00 0.00 C ATOM 795 CG2 VAL A 52 11.531 13.806 -6.363 1.00 0.00 C ATOM 0 H VAL A 52 12.690 12.069 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 52 10.587 11.850 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 52 10.432 14.819 -7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.893 14.225 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.318 13.555 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.133 12.500 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.275 14.528 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.583 12.809 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.498 14.064 -6.794 1.00 0.00 H new ATOM 805 N HIS A 53 9.412 14.020 -10.316 1.00 0.00 N ATOM 806 CA HIS A 53 8.478 14.288 -11.431 1.00 0.00 C ATOM 807 C HIS A 53 7.186 13.455 -11.459 1.00 0.00 C ATOM 808 O HIS A 53 6.091 14.000 -11.296 1.00 0.00 O ATOM 809 CB HIS A 53 9.204 14.226 -12.789 1.00 0.00 C ATOM 810 CG HIS A 53 9.733 15.555 -13.261 1.00 0.00 C ATOM 811 ND1 HIS A 53 9.146 16.346 -14.233 1.00 0.00 N ATOM 812 CD2 HIS A 53 10.898 16.155 -12.869 1.00 0.00 C ATOM 813 CE1 HIS A 53 9.936 17.419 -14.413 1.00 0.00 C ATOM 814 NE2 HIS A 53 11.000 17.321 -13.597 1.00 0.00 N ATOM 0 H HIS A 53 9.753 14.896 -9.921 1.00 0.00 H new ATOM 0 HA HIS A 53 8.129 15.302 -11.238 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.033 13.522 -12.715 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.518 13.832 -13.539 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.599 15.788 -12.134 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.746 18.229 -15.102 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.759 17.999 -13.528 1.00 0.00 H new ATOM 823 N GLY A 54 7.277 12.167 -11.768 1.00 0.00 N ATOM 824 CA GLY A 54 6.166 11.227 -11.806 1.00 0.00 C ATOM 825 C GLY A 54 6.642 9.778 -11.716 1.00 0.00 C ATOM 826 O GLY A 54 5.889 8.873 -12.071 1.00 0.00 O ATOM 0 H GLY A 54 8.167 11.731 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.484 11.437 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.603 11.367 -12.729 1.00 0.00 H new ATOM 830 N ALA A 55 7.882 9.544 -11.269 1.00 0.00 N ATOM 831 CA ALA A 55 8.501 8.228 -11.280 1.00 0.00 C ATOM 832 C ALA A 55 8.385 7.487 -9.943 1.00 0.00 C ATOM 833 O ALA A 55 8.524 6.266 -9.943 1.00 0.00 O ATOM 834 CB ALA A 55 9.965 8.366 -11.687 1.00 0.00 C ATOM 0 H ALA A 55 8.483 10.275 -10.888 1.00 0.00 H new ATOM 0 HA ALA A 55 7.959 7.622 -12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.434 7.382 -11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.026 8.807 -12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.482 9.007 -10.973 1.00 0.00 H new ATOM 840 N VAL A 56 8.111 8.167 -8.818 1.00 0.00 N ATOM 841 CA VAL A 56 7.897 7.478 -7.537 1.00 0.00 C ATOM 842 C VAL A 56 6.733 6.482 -7.740 1.00 0.00 C ATOM 843 O VAL A 56 6.891 5.307 -7.414 1.00 0.00 O ATOM 844 CB VAL A 56 7.558 8.475 -6.393 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.611 7.971 -5.293 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.811 9.081 -5.774 1.00 0.00 C ATOM 0 H VAL A 56 8.033 9.183 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 56 8.811 6.963 -7.242 1.00 0.00 H new ATOM 0 HB VAL A 56 6.987 9.244 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.456 8.760 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.654 7.694 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.051 7.101 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.527 9.771 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.433 8.287 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.371 9.619 -6.539 1.00 0.00 H new ATOM 856 N PRO A 57 5.562 6.907 -8.273 1.00 0.00 N ATOM 857 CA PRO A 57 4.475 5.984 -8.541 1.00 0.00 C ATOM 858 C PRO A 57 4.827 4.968 -9.632 1.00 0.00 C ATOM 859 O PRO A 57 4.311 3.861 -9.595 1.00 0.00 O ATOM 860 CB PRO A 57 3.288 6.840 -8.967 1.00 0.00 C ATOM 861 CG PRO A 57 3.705 8.298 -8.901 1.00 0.00 C ATOM 862 CD PRO A 57 5.212 8.232 -8.779 1.00 0.00 C ATOM 0 HA PRO A 57 4.254 5.395 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.975 6.580 -9.978 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.435 6.659 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.399 8.843 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.255 8.805 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.682 8.407 -9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.575 9.007 -8.104 1.00 0.00 H new ATOM 870 N ASN A 58 5.698 5.303 -10.590 1.00 0.00 N ATOM 871 CA ASN A 58 6.112 4.370 -11.640 1.00 0.00 C ATOM 872 C ASN A 58 6.858 3.175 -11.028 1.00 0.00 C ATOM 873 O ASN A 58 6.731 2.059 -11.532 1.00 0.00 O ATOM 874 CB ASN A 58 6.957 5.107 -12.693 1.00 0.00 C ATOM 875 CG ASN A 58 7.150 4.388 -14.029 1.00 0.00 C ATOM 876 OD1 ASN A 58 7.378 5.049 -15.039 1.00 0.00 O ATOM 877 ND2 ASN A 58 7.122 3.066 -14.084 1.00 0.00 N ATOM 0 H ASN A 58 6.133 6.223 -10.658 1.00 0.00 H new ATOM 0 HA ASN A 58 5.231 3.974 -12.145 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.493 6.074 -12.888 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.940 5.305 -12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.290 2.589 -14.970 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.932 2.524 -13.241 1.00 0.00 H new ATOM 884 N PHE A 59 7.596 3.373 -9.930 1.00 0.00 N ATOM 885 CA PHE A 59 8.157 2.271 -9.156 1.00 0.00 C ATOM 886 C PHE A 59 7.021 1.467 -8.538 1.00 0.00 C ATOM 887 O PHE A 59 6.868 0.301 -8.870 1.00 0.00 O ATOM 888 CB PHE A 59 9.150 2.771 -8.101 1.00 0.00 C ATOM 889 CG PHE A 59 9.335 1.835 -6.918 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.035 0.621 -7.065 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.833 2.198 -5.653 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.262 -0.208 -5.952 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.060 1.362 -4.547 1.00 0.00 C ATOM 894 CZ PHE A 59 9.770 0.165 -4.691 1.00 0.00 C ATOM 0 H PHE A 59 7.817 4.297 -9.559 1.00 0.00 H new ATOM 0 HA PHE A 59 8.725 1.619 -9.820 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.117 2.930 -8.577 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.813 3.740 -7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.399 0.326 -8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.276 3.115 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.813 -1.129 -6.067 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.683 1.646 -3.576 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.939 -0.470 -3.834 1.00 0.00 H new ATOM 904 N VAL A 60 6.187 2.037 -7.668 1.00 0.00 N ATOM 905 CA VAL A 60 5.179 1.212 -6.998 1.00 0.00 C ATOM 906 C VAL A 60 4.176 0.565 -7.973 1.00 0.00 C ATOM 907 O VAL A 60 3.620 -0.488 -7.659 1.00 0.00 O ATOM 908 CB VAL A 60 4.478 1.980 -5.871 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.368 2.137 -4.624 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.021 3.376 -6.244 1.00 0.00 C ATOM 0 H VAL A 60 6.185 3.026 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 60 5.719 0.383 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 60 3.606 1.359 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.825 2.688 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.637 1.152 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.273 2.683 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.537 3.842 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.882 3.973 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.315 3.318 -7.072 1.00 0.00 H new ATOM 920 N LYS A 61 3.963 1.122 -9.168 1.00 0.00 N ATOM 921 CA LYS A 61 3.171 0.474 -10.211 1.00 0.00 C ATOM 922 C LYS A 61 3.858 -0.757 -10.797 1.00 0.00 C ATOM 923 O LYS A 61 3.158 -1.584 -11.379 1.00 0.00 O ATOM 924 CB LYS A 61 2.792 1.455 -11.341 1.00 0.00 C ATOM 925 CG LYS A 61 1.349 1.978 -11.203 1.00 0.00 C ATOM 926 CD LYS A 61 0.704 2.244 -12.556 1.00 0.00 C ATOM 927 CE LYS A 61 1.388 3.335 -13.378 1.00 0.00 C ATOM 928 NZ LYS A 61 1.887 2.774 -14.641 1.00 0.00 N ATOM 0 H LYS A 61 4.335 2.033 -9.437 1.00 0.00 H new ATOM 0 HA LYS A 61 2.257 0.140 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.483 2.298 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.905 0.957 -12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.751 1.251 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.351 2.897 -10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.703 1.319 -13.132 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.338 2.523 -12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.685 4.143 -13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.213 3.766 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.351 3.523 -15.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.572 2.018 -14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.092 2.383 -15.186 1.00 0.00 H new ATOM 942 N GLU A 62 5.178 -0.916 -10.688 1.00 0.00 N ATOM 943 CA GLU A 62 5.812 -2.173 -11.056 1.00 0.00 C ATOM 944 C GLU A 62 5.633 -3.233 -9.966 1.00 0.00 C ATOM 945 O GLU A 62 5.748 -4.422 -10.260 1.00 0.00 O ATOM 946 CB GLU A 62 7.282 -2.001 -11.476 1.00 0.00 C ATOM 947 CG GLU A 62 8.326 -1.867 -10.356 1.00 0.00 C ATOM 948 CD GLU A 62 9.679 -2.430 -10.762 1.00 0.00 C ATOM 949 OE1 GLU A 62 9.912 -3.647 -10.586 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.538 -1.616 -11.180 1.00 0.00 O ATOM 0 H GLU A 62 5.818 -0.197 -10.352 1.00 0.00 H new ATOM 0 HA GLU A 62 5.295 -2.537 -11.944 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.558 -2.856 -12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.350 -1.116 -12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.437 -0.816 -10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.970 -2.386 -9.466 1.00 0.00 H new ATOM 957 N LYS A 63 5.318 -2.840 -8.724 1.00 0.00 N ATOM 958 CA LYS A 63 5.266 -3.724 -7.556 1.00 0.00 C ATOM 959 C LYS A 63 3.907 -4.422 -7.446 1.00 0.00 C ATOM 960 O LYS A 63 3.411 -4.664 -6.346 1.00 0.00 O ATOM 961 CB LYS A 63 5.581 -2.895 -6.289 1.00 0.00 C ATOM 962 CG LYS A 63 6.932 -2.155 -6.337 1.00 0.00 C ATOM 963 CD LYS A 63 8.135 -3.102 -6.309 1.00 0.00 C ATOM 964 CE LYS A 63 8.377 -3.571 -4.870 1.00 0.00 C ATOM 965 NZ LYS A 63 8.991 -4.906 -4.805 1.00 0.00 N ATOM 0 H LYS A 63 5.086 -1.872 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 63 6.012 -4.511 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.785 -2.165 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.573 -3.558 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.975 -1.548 -7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.995 -1.471 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.953 -3.959 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.021 -2.595 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.022 -2.854 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.429 -3.585 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.526 -5.466 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.879 -5.385 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.003 -4.812 -4.585 1.00 0.00 H new ATOM 979 N GLY A 64 3.352 -4.800 -8.600 1.00 0.00 N ATOM 980 CA GLY A 64 2.188 -5.662 -8.789 1.00 0.00 C ATOM 981 C GLY A 64 0.938 -5.277 -7.990 1.00 0.00 C ATOM 982 O GLY A 64 0.108 -6.154 -7.732 1.00 0.00 O ATOM 0 H GLY A 64 3.735 -4.487 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.932 -5.668 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.467 -6.681 -8.523 1.00 0.00 H new ATOM 986 N ALA A 65 0.816 -4.020 -7.539 1.00 0.00 N ATOM 987 CA ALA A 65 -0.132 -3.669 -6.497 1.00 0.00 C ATOM 988 C ALA A 65 -1.603 -3.777 -6.912 1.00 0.00 C ATOM 989 O ALA A 65 -1.929 -3.841 -8.097 1.00 0.00 O ATOM 990 CB ALA A 65 0.197 -2.265 -6.010 1.00 0.00 C ATOM 0 H ALA A 65 1.368 -3.236 -7.887 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.023 -4.400 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.503 -1.979 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.213 -2.246 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.118 -1.564 -6.841 1.00 0.00 H new ATOM 996 N GLU A 66 -2.491 -3.716 -5.913 1.00 0.00 N ATOM 997 CA GLU A 66 -3.939 -3.717 -6.093 1.00 0.00 C ATOM 998 C GLU A 66 -4.629 -2.710 -5.172 1.00 0.00 C ATOM 999 O GLU A 66 -5.663 -2.165 -5.563 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.511 -5.120 -5.864 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.660 -5.902 -7.173 1.00 0.00 C ATOM 1002 CD GLU A 66 -5.530 -7.132 -6.936 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -6.771 -7.006 -7.063 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -4.988 -8.178 -6.514 1.00 0.00 O ATOM 0 H GLU A 66 -2.211 -3.663 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.136 -3.416 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.859 -5.670 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.483 -5.040 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.109 -5.268 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.680 -6.203 -7.543 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.083 -2.445 -3.981 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.610 -1.483 -3.026 1.00 0.00 C ATOM 1013 C LEU A 67 -3.459 -0.621 -2.510 1.00 0.00 C ATOM 1014 O LEU A 67 -2.309 -1.070 -2.450 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.312 -2.224 -1.868 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.162 -1.309 -0.961 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.467 -0.901 -1.645 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.489 -2.033 0.340 1.00 0.00 C ATOM 0 H LEU A 67 -3.238 -2.911 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.347 -0.840 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.952 -3.002 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.558 -2.723 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.581 -0.410 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.041 -0.257 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.242 -0.362 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.049 -1.792 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.089 -1.383 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.048 -2.942 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.564 -2.292 0.855 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.774 0.604 -2.102 1.00 0.00 N ATOM 1031 CA VAL A 68 -2.896 1.500 -1.366 1.00 0.00 C ATOM 1032 C VAL A 68 -3.773 2.173 -0.299 1.00 0.00 C ATOM 1033 O VAL A 68 -4.952 2.427 -0.541 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.308 2.542 -2.347 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.108 3.306 -1.778 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -1.899 1.983 -3.719 1.00 0.00 C ATOM 0 H VAL A 68 -4.689 1.015 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.061 0.979 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.150 3.220 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.747 4.019 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.411 3.840 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.312 2.603 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.499 2.788 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.137 1.215 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.770 1.549 -4.210 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.220 2.478 0.878 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.885 3.141 1.992 1.00 0.00 C ATOM 1048 C ILE A 69 -2.939 4.258 2.430 1.00 0.00 C ATOM 1049 O ILE A 69 -1.793 3.989 2.782 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.182 2.130 3.122 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.274 1.104 2.744 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.637 2.869 4.387 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.210 -0.170 3.599 1.00 0.00 C ATOM 0 H ILE A 69 -2.246 2.256 1.086 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.854 3.556 1.714 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.252 1.589 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.255 1.565 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.168 0.837 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.843 2.146 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.850 3.549 4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.541 3.438 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.999 -0.855 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.240 -0.650 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.345 0.089 4.649 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.379 5.514 2.345 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.526 6.696 2.494 1.00 0.00 C ATOM 1067 C VAL A 70 -3.179 7.746 3.407 1.00 0.00 C ATOM 1068 O VAL A 70 -4.385 7.686 3.667 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.208 7.245 1.084 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.638 6.167 0.148 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.443 7.880 0.422 1.00 0.00 C ATOM 0 H VAL A 70 -4.357 5.744 2.167 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.591 6.426 2.984 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.448 8.012 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.432 6.605 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.714 5.770 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.363 5.360 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.175 8.253 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.230 7.132 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.801 8.706 1.036 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.445 8.790 3.819 1.00 0.00 N ATOM 1082 CA ARG A 71 -2.944 9.805 4.759 1.00 0.00 C ATOM 1083 C ARG A 71 -3.118 11.188 4.126 1.00 0.00 C ATOM 1084 O ARG A 71 -4.138 11.841 4.341 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.029 9.851 5.994 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.769 10.550 7.136 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.184 10.303 8.531 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.142 10.759 9.556 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.570 12.021 9.710 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.968 13.042 9.113 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.647 12.289 10.435 1.00 0.00 N ATOM 0 H ARG A 71 -1.487 8.955 3.509 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.947 9.508 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.746 8.841 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.108 10.384 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.772 11.623 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.808 10.222 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.970 9.243 8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.239 10.835 8.640 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.509 10.058 10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.156 12.878 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.317 13.991 9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.161 11.531 10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.961 13.253 10.544 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.164 11.610 3.309 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.069 12.963 2.746 1.00 0.00 C ATOM 1107 C GLY A 72 -1.395 12.957 1.377 1.00 0.00 C ATOM 1108 O GLY A 72 -0.532 13.781 1.059 1.00 0.00 O ATOM 0 H GLY A 72 -1.403 11.003 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.067 13.392 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.506 13.602 3.426 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.766 11.981 0.552 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.372 11.882 -0.849 1.00 0.00 C ATOM 1114 C ILE A 73 -1.826 13.126 -1.643 1.00 0.00 C ATOM 1115 O ILE A 73 -2.698 13.868 -1.175 1.00 0.00 O ATOM 1116 CB ILE A 73 -1.982 10.572 -1.409 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.408 10.171 -2.775 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.523 10.626 -1.529 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.494 8.660 -2.990 1.00 0.00 C ATOM 0 H ILE A 73 -2.368 11.214 0.851 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.287 11.850 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.704 9.819 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.953 10.685 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.369 10.492 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.890 9.680 -1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.959 10.800 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.808 11.437 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.080 8.407 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.927 8.149 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.537 8.345 -2.946 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.312 13.304 -2.865 1.00 0.00 N ATOM 1132 CA GLY A 74 -1.769 14.307 -3.819 1.00 0.00 C ATOM 1133 C GLY A 74 -2.321 13.642 -5.082 1.00 0.00 C ATOM 1134 O GLY A 74 -2.031 12.480 -5.374 1.00 0.00 O ATOM 0 H GLY A 74 -0.545 12.735 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.541 14.926 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.944 14.969 -4.082 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.107 14.394 -5.858 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.837 13.918 -7.041 1.00 0.00 C ATOM 1140 C ARG A 75 -2.939 13.245 -8.082 1.00 0.00 C ATOM 1141 O ARG A 75 -3.385 12.341 -8.782 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.578 15.115 -7.663 1.00 0.00 C ATOM 1143 CG ARG A 75 -6.006 14.844 -8.142 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.193 13.988 -9.396 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.426 14.429 -10.082 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.572 14.726 -11.378 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -6.682 14.315 -12.271 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -8.617 15.449 -11.751 1.00 0.00 N ATOM 0 H ARG A 75 -3.259 15.386 -5.675 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.537 13.148 -6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.609 15.920 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.995 15.478 -8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.546 14.364 -7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.487 15.806 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.333 14.092 -10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.264 12.934 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.260 14.517 -9.501 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.876 13.766 -11.972 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.804 14.548 -13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.291 15.768 -11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.748 15.687 -12.734 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.669 13.652 -8.184 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.698 13.041 -9.092 1.00 0.00 C ATOM 1164 C ARG A 76 -0.621 11.539 -8.881 1.00 0.00 C ATOM 1165 O ARG A 76 -0.542 10.799 -9.858 1.00 0.00 O ATOM 1166 CB ARG A 76 0.679 13.686 -8.855 1.00 0.00 C ATOM 1167 CG ARG A 76 1.821 13.194 -9.758 1.00 0.00 C ATOM 1168 CD ARG A 76 1.656 13.671 -11.202 1.00 0.00 C ATOM 1169 NE ARG A 76 2.952 13.981 -11.830 1.00 0.00 N ATOM 1170 CZ ARG A 76 3.099 14.711 -12.940 1.00 0.00 C ATOM 1171 NH1 ARG A 76 2.038 15.120 -13.624 1.00 0.00 N ATOM 1172 NH2 ARG A 76 4.317 15.036 -13.347 1.00 0.00 N ATOM 0 H ARG A 76 -1.285 14.420 -7.634 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.015 13.212 -10.121 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.580 14.764 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.964 13.514 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.773 13.551 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.856 12.105 -9.738 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.146 12.902 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.022 14.557 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 76 3.794 13.614 -11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.100 14.878 -13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.160 15.677 -14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.131 14.729 -12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.441 15.593 -14.193 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.598 11.095 -7.628 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.419 9.692 -7.332 1.00 0.00 C ATOM 1188 C ALA A 77 -1.728 8.918 -7.418 1.00 0.00 C ATOM 1189 O ALA A 77 -1.665 7.747 -7.776 1.00 0.00 O ATOM 1190 CB ALA A 77 0.224 9.558 -5.969 1.00 0.00 C ATOM 0 H ALA A 77 -0.702 11.692 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 77 0.237 9.252 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.364 8.503 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.191 10.060 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.419 10.014 -5.217 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.899 9.535 -7.179 1.00 0.00 N ATOM 1197 CA ILE A 78 -4.167 8.923 -7.563 1.00 0.00 C ATOM 1198 C ILE A 78 -4.049 8.513 -9.046 1.00 0.00 C ATOM 1199 O ILE A 78 -4.268 7.346 -9.371 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.331 9.904 -7.276 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.818 9.910 -5.815 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.582 9.633 -8.126 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -4.787 9.967 -4.693 1.00 0.00 C ATOM 0 H ILE A 78 -2.986 10.445 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.387 8.029 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.879 10.864 -7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.484 10.764 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.419 9.013 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.357 10.356 -7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.331 9.724 -9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.947 8.626 -7.926 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.297 9.964 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.130 9.100 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.196 10.878 -4.788 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.596 9.424 -9.924 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.512 9.150 -11.357 1.00 0.00 C ATOM 1217 C ALA A 79 -2.518 8.031 -11.727 1.00 0.00 C ATOM 1218 O ALA A 79 -2.544 7.556 -12.871 1.00 0.00 O ATOM 1219 CB ALA A 79 -3.166 10.440 -12.106 1.00 0.00 C ATOM 0 H ALA A 79 -3.283 10.358 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.493 8.783 -11.660 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.104 10.235 -13.175 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.941 11.185 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.207 10.820 -11.753 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.637 7.605 -10.811 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.792 6.443 -11.016 1.00 0.00 C ATOM 1227 C ALA A 80 -1.608 5.177 -10.878 1.00 0.00 C ATOM 1228 O ALA A 80 -1.666 4.394 -11.812 1.00 0.00 O ATOM 1229 CB ALA A 80 0.345 6.408 -10.006 1.00 0.00 C ATOM 0 H ALA A 80 -1.498 8.063 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.373 6.509 -12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.962 5.527 -10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.954 7.305 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.066 6.367 -8.997 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.199 4.951 -9.714 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.997 3.821 -9.366 1.00 0.00 C ATOM 1237 C PHE A 81 -4.158 3.692 -10.351 1.00 0.00 C ATOM 1238 O PHE A 81 -4.403 2.593 -10.839 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.401 4.061 -7.907 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.262 4.423 -6.957 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -0.984 3.837 -7.069 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.488 5.363 -5.942 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.037 4.172 -6.165 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.485 5.655 -5.005 1.00 0.00 C ATOM 1245 CZ PHE A 81 -0.217 5.069 -5.118 1.00 0.00 C ATOM 0 H PHE A 81 -2.117 5.612 -8.941 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.483 2.863 -9.436 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.140 4.862 -7.881 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.891 3.162 -7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.789 3.124 -7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.442 5.866 -5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.020 3.738 -6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.691 6.335 -4.192 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.558 5.306 -4.404 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.764 4.803 -10.780 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.769 4.816 -11.837 1.00 0.00 C ATOM 1257 C GLU A 82 -5.237 4.274 -13.179 1.00 0.00 C ATOM 1258 O GLU A 82 -6.035 3.880 -14.027 1.00 0.00 O ATOM 1259 CB GLU A 82 -6.255 6.251 -12.059 1.00 0.00 C ATOM 1260 CG GLU A 82 -7.181 6.855 -10.993 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.646 8.206 -11.539 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.646 8.291 -12.284 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -6.853 9.171 -11.510 1.00 0.00 O ATOM 0 H GLU A 82 -4.565 5.727 -10.396 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.579 4.164 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.379 6.894 -12.148 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.775 6.287 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.031 6.200 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.655 6.979 -10.047 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.918 4.221 -13.422 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.386 3.600 -14.634 1.00 0.00 C ATOM 1272 C ALA A 83 -3.491 2.070 -14.604 1.00 0.00 C ATOM 1273 O ALA A 83 -3.279 1.450 -15.650 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.929 4.002 -14.845 1.00 0.00 C ATOM 0 H ALA A 83 -3.208 4.600 -12.796 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.995 3.961 -15.463 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.549 3.531 -15.751 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.861 5.085 -14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.335 3.677 -13.991 1.00 0.00 H new ATOM 1280 N MET A 84 -3.788 1.479 -13.441 1.00 0.00 N ATOM 1281 CA MET A 84 -4.079 0.048 -13.282 1.00 0.00 C ATOM 1282 C MET A 84 -5.391 -0.245 -12.545 1.00 0.00 C ATOM 1283 O MET A 84 -5.662 -1.400 -12.229 1.00 0.00 O ATOM 1284 CB MET A 84 -2.896 -0.710 -12.653 1.00 0.00 C ATOM 1285 CG MET A 84 -1.974 0.061 -11.719 1.00 0.00 C ATOM 1286 SD MET A 84 -0.722 -0.995 -10.924 1.00 0.00 S ATOM 1287 CE MET A 84 0.078 -1.824 -12.311 1.00 0.00 C ATOM 0 H MET A 84 -3.834 1.995 -12.562 1.00 0.00 H new ATOM 0 HA MET A 84 -4.223 -0.329 -14.295 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.298 -1.559 -12.100 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.289 -1.115 -13.463 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.473 0.849 -12.281 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.571 0.549 -10.949 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.891 -2.449 -11.941 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.650 -2.446 -12.832 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.477 -1.079 -12.999 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.217 0.759 -12.246 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.412 0.505 -11.450 1.00 0.00 C ATOM 1299 C GLY A 85 -7.071 0.130 -10.014 1.00 0.00 C ATOM 1300 O GLY A 85 -7.891 -0.500 -9.328 1.00 0.00 O ATOM 0 H GLY A 85 -6.085 1.728 -12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.045 1.392 -11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.989 -0.299 -11.908 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.906 0.549 -9.526 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.414 0.226 -8.201 1.00 0.00 C ATOM 1306 C VAL A 86 -6.164 1.177 -7.280 1.00 0.00 C ATOM 1307 O VAL A 86 -6.116 2.395 -7.449 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.864 0.345 -8.168 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.293 0.433 -6.738 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.333 -0.948 -8.785 1.00 0.00 C ATOM 0 H VAL A 86 -5.266 1.137 -10.060 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.597 -0.800 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.571 1.253 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.207 0.514 -6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.701 1.310 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.566 -0.463 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.243 -0.927 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.676 -1.799 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.700 -1.041 -9.807 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.983 0.610 -6.392 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.774 1.418 -5.493 1.00 0.00 C ATOM 1322 C LYS A 87 -6.827 2.063 -4.488 1.00 0.00 C ATOM 1323 O LYS A 87 -5.885 1.427 -4.010 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.903 0.588 -4.870 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.625 1.425 -3.810 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.004 0.885 -3.438 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.498 1.611 -2.181 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.797 1.089 -1.722 1.00 0.00 N ATOM 0 H LYS A 87 -7.108 -0.397 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.288 2.222 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.606 0.273 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.497 -0.318 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.008 1.470 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.731 2.446 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.703 1.037 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.953 -0.189 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.761 1.502 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.588 2.677 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.097 1.605 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.507 1.216 -2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.705 0.077 -1.499 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.101 3.308 -4.135 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.269 4.105 -3.266 1.00 0.00 C ATOM 1344 C VAL A 88 -7.175 4.659 -2.182 1.00 0.00 C ATOM 1345 O VAL A 88 -7.883 5.639 -2.394 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.455 5.115 -4.098 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -6.241 5.935 -5.144 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -4.635 6.038 -3.184 1.00 0.00 C ATOM 0 H VAL A 88 -7.934 3.801 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.492 3.541 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.794 4.490 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.560 6.609 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.703 5.259 -5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.015 6.516 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.068 6.743 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.307 6.587 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.947 5.440 -2.586 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.181 3.995 -1.030 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.894 4.416 0.160 1.00 0.00 C ATOM 1360 C ILE A 89 -7.119 5.571 0.804 1.00 0.00 C ATOM 1361 O ILE A 89 -5.886 5.588 0.795 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.121 3.204 1.081 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.237 2.369 0.419 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.507 3.612 2.513 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.526 1.041 1.105 1.00 0.00 C ATOM 0 H ILE A 89 -6.671 3.121 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.889 4.796 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.199 2.633 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.153 2.960 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.961 2.175 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.655 2.718 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.710 4.216 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.430 4.191 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.323 0.522 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.626 0.426 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.836 1.223 2.134 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.830 6.535 1.393 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.297 7.754 1.984 1.00 0.00 C ATOM 1379 C LYS A 90 -7.776 7.858 3.427 1.00 0.00 C ATOM 1380 O LYS A 90 -8.562 7.024 3.867 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.711 8.962 1.109 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.872 9.127 -0.158 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.503 8.488 -1.395 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.522 9.390 -2.092 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.130 8.732 -3.278 1.00 0.00 N ATOM 0 H LYS A 90 -8.845 6.479 1.472 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.207 7.741 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.758 8.852 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.635 9.872 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.718 10.189 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.889 8.687 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.715 8.228 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.991 7.557 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.307 9.662 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.036 10.315 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.655 9.436 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.380 8.315 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.781 7.984 -2.964 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.265 8.848 4.163 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.686 9.095 5.529 1.00 0.00 C ATOM 1401 C GLY A 91 -7.531 7.862 6.401 1.00 0.00 C ATOM 1402 O GLY A 91 -8.527 7.399 6.955 1.00 0.00 O ATOM 0 H GLY A 91 -6.552 9.494 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.098 9.912 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.728 9.416 5.535 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.309 7.335 6.486 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.930 6.357 7.505 1.00 0.00 C ATOM 1408 C ALA A 92 -4.867 6.934 8.443 1.00 0.00 C ATOM 1409 O ALA A 92 -4.213 7.924 8.110 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.410 5.092 6.828 1.00 0.00 C ATOM 0 H ALA A 92 -5.551 7.576 5.847 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.808 6.112 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.127 4.363 7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.191 4.672 6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.540 5.337 6.219 1.00 0.00 H new ATOM 1416 N SER A 93 -4.642 6.283 9.580 1.00 0.00 N ATOM 1417 CA SER A 93 -3.681 6.652 10.611 1.00 0.00 C ATOM 1418 C SER A 93 -3.134 5.369 11.245 1.00 0.00 C ATOM 1419 O SER A 93 -3.755 4.320 11.079 1.00 0.00 O ATOM 1420 CB SER A 93 -4.381 7.560 11.630 1.00 0.00 C ATOM 1421 OG SER A 93 -5.651 7.084 12.041 1.00 0.00 O ATOM 0 H SER A 93 -5.156 5.435 9.819 1.00 0.00 H new ATOM 0 HA SER A 93 -2.838 7.206 10.199 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.742 7.667 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.498 8.554 11.197 1.00 0.00 H new ATOM 0 HG SER A 93 -6.040 7.707 12.690 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.021 5.438 11.977 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.540 4.312 12.786 1.00 0.00 C ATOM 1429 C GLY A 94 -0.477 3.468 12.084 1.00 0.00 C ATOM 1430 O GLY A 94 0.138 3.915 11.116 1.00 0.00 O ATOM 0 H GLY A 94 -1.430 6.268 12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.130 4.695 13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.385 3.675 13.046 1.00 0.00 H new ATOM 1434 N THR A 95 -0.175 2.282 12.616 1.00 0.00 N ATOM 1435 CA THR A 95 0.887 1.438 12.071 1.00 0.00 C ATOM 1436 C THR A 95 0.384 0.571 10.919 1.00 0.00 C ATOM 1437 O THR A 95 -0.821 0.391 10.756 1.00 0.00 O ATOM 1438 CB THR A 95 1.498 0.556 13.175 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.506 -0.087 13.954 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.363 1.392 14.106 1.00 0.00 C ATOM 0 H THR A 95 -0.653 1.885 13.425 1.00 0.00 H new ATOM 0 HA THR A 95 1.660 2.099 11.678 1.00 0.00 H new ATOM 0 HB THR A 95 2.098 -0.202 12.670 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.936 -0.638 14.641 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.787 0.753 14.880 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.169 1.855 13.536 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.754 2.168 14.569 1.00 0.00 H new ATOM 1448 N VAL A 96 1.308 -0.018 10.153 1.00 0.00 N ATOM 1449 CA VAL A 96 1.011 -0.921 9.045 1.00 0.00 C ATOM 1450 C VAL A 96 0.037 -2.005 9.499 1.00 0.00 C ATOM 1451 O VAL A 96 -1.032 -2.150 8.909 1.00 0.00 O ATOM 1452 CB VAL A 96 2.331 -1.506 8.485 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.186 -2.761 7.610 1.00 0.00 C ATOM 1454 CG2 VAL A 96 3.035 -0.438 7.651 1.00 0.00 C ATOM 0 H VAL A 96 2.308 0.126 10.293 1.00 0.00 H new ATOM 0 HA VAL A 96 0.525 -0.375 8.237 1.00 0.00 H new ATOM 0 HB VAL A 96 2.898 -1.810 9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.170 -3.085 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.721 -3.558 8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.563 -2.532 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.966 -0.842 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.389 -0.135 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.254 0.427 8.277 1.00 0.00 H new ATOM 1464 N GLU A 97 0.387 -2.754 10.548 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.419 -3.887 10.991 1.00 0.00 C ATOM 1466 C GLU A 97 -1.850 -3.475 11.387 1.00 0.00 C ATOM 1467 O GLU A 97 -2.765 -4.303 11.354 1.00 0.00 O ATOM 1468 CB GLU A 97 0.276 -4.588 12.165 1.00 0.00 C ATOM 1469 CG GLU A 97 0.524 -3.669 13.378 1.00 0.00 C ATOM 1470 CD GLU A 97 0.893 -4.422 14.653 1.00 0.00 C ATOM 1471 OE1 GLU A 97 1.337 -5.587 14.588 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.706 -3.860 15.763 1.00 0.00 O ATOM 0 H GLU A 97 1.226 -2.593 11.105 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.509 -4.574 10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.332 -5.436 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.230 -4.989 11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.324 -2.970 13.135 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.372 -3.077 13.563 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.034 -2.227 11.826 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.287 -1.683 12.325 1.00 0.00 C ATOM 1481 C GLU A 98 -4.119 -1.251 11.127 1.00 0.00 C ATOM 1482 O GLU A 98 -5.240 -1.727 10.966 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.006 -0.513 13.283 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.259 -0.098 14.067 1.00 0.00 C ATOM 1485 CD GLU A 98 -4.019 1.202 14.836 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -3.386 1.133 15.915 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.455 2.280 14.358 1.00 0.00 O ATOM 0 H GLU A 98 -1.277 -1.543 11.841 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.842 -2.431 12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.219 -0.797 13.981 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.635 0.340 12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.096 0.031 13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.536 -0.890 14.762 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.544 -0.424 10.252 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.156 0.066 9.030 1.00 0.00 C ATOM 1496 C VAL A 99 -4.677 -1.110 8.191 1.00 0.00 C ATOM 1497 O VAL A 99 -5.803 -1.066 7.688 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.083 0.906 8.309 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.493 1.299 6.903 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.781 2.226 9.031 1.00 0.00 C ATOM 0 H VAL A 99 -2.599 -0.066 10.388 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.028 0.691 9.223 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.210 0.254 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.699 1.889 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.667 0.401 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.408 1.890 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.019 2.776 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.690 2.825 9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.419 2.016 10.038 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.880 -2.176 8.066 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.266 -3.394 7.363 1.00 0.00 C ATOM 1512 C VAL A 100 -5.534 -3.959 8.014 1.00 0.00 C ATOM 1513 O VAL A 100 -6.519 -4.203 7.316 1.00 0.00 O ATOM 1514 CB VAL A 100 -3.080 -4.389 7.330 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.465 -5.776 6.793 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.953 -3.886 6.416 1.00 0.00 C ATOM 0 H VAL A 100 -2.938 -2.213 8.456 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.506 -3.187 6.320 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.762 -4.465 8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.588 -6.424 6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.239 -6.209 7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.841 -5.680 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.136 -4.607 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.333 -3.767 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.589 -2.926 6.782 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.547 -4.175 9.335 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.731 -4.720 10.005 1.00 0.00 C ATOM 1528 C ASN A 101 -7.949 -3.805 9.847 1.00 0.00 C ATOM 1529 O ASN A 101 -9.043 -4.319 9.636 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.441 -4.971 11.494 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.723 -5.212 12.290 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -8.321 -4.266 12.788 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -8.184 -6.445 12.404 1.00 0.00 N ATOM 0 H ASN A 101 -4.760 -3.983 9.954 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.968 -5.669 9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.783 -5.834 11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.910 -4.115 11.910 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -9.050 -6.621 12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.673 -7.221 11.983 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.788 -2.484 9.924 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.893 -1.529 9.836 1.00 0.00 C ATOM 1542 C GLN A 102 -9.564 -1.605 8.462 1.00 0.00 C ATOM 1543 O GLN A 102 -10.790 -1.507 8.343 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.373 -0.112 10.082 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.789 0.053 11.492 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.660 0.847 12.463 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -9.863 1.026 12.278 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -8.062 1.334 13.538 1.00 0.00 N ATOM 0 H GLN A 102 -6.877 -2.042 10.051 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.632 -1.781 10.597 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.608 0.126 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.185 0.601 9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.611 -0.936 11.913 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.819 0.545 11.412 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.064 1.179 13.681 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.599 1.864 14.224 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.762 -1.768 7.408 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.249 -1.992 6.059 1.00 0.00 C ATOM 1559 C TYR A 103 -10.003 -3.302 5.926 1.00 0.00 C ATOM 1560 O TYR A 103 -11.132 -3.271 5.435 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.095 -1.920 5.072 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.480 -2.397 3.687 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.448 -1.692 2.952 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.981 -3.616 3.195 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.928 -2.208 1.735 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.465 -4.148 1.991 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.431 -3.435 1.245 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.847 -3.909 0.039 1.00 0.00 O ATOM 0 H TYR A 103 -7.744 -1.747 7.476 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.963 -1.201 5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.738 -0.892 5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.267 -2.524 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.825 -0.750 3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.220 -4.146 3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.676 -1.666 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.101 -5.100 1.635 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.406 -4.764 -0.146 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.407 -4.418 6.361 1.00 0.00 N ATOM 1579 CA LEU A 104 -10.030 -5.732 6.345 1.00 0.00 C ATOM 1580 C LEU A 104 -11.349 -5.673 7.127 1.00 0.00 C ATOM 1581 O LEU A 104 -12.341 -6.269 6.718 1.00 0.00 O ATOM 1582 CB LEU A 104 -9.067 -6.793 6.941 1.00 0.00 C ATOM 1583 CG LEU A 104 -8.110 -7.399 5.892 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.966 -6.502 5.433 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -7.452 -8.708 6.351 1.00 0.00 C ATOM 0 H LEU A 104 -8.460 -4.426 6.740 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.245 -6.025 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.481 -6.336 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.653 -7.593 7.395 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.797 -7.557 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.361 -7.032 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.372 -5.596 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.346 -6.236 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.793 -9.079 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.872 -8.526 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.223 -9.450 6.557 1.00 0.00 H new ATOM 1597 N SER A 105 -11.387 -4.888 8.205 1.00 0.00 N ATOM 1598 CA SER A 105 -12.560 -4.693 9.047 1.00 0.00 C ATOM 1599 C SER A 105 -13.589 -3.746 8.418 1.00 0.00 C ATOM 1600 O SER A 105 -14.627 -3.479 9.029 1.00 0.00 O ATOM 1601 CB SER A 105 -12.106 -4.188 10.417 1.00 0.00 C ATOM 1602 OG SER A 105 -11.265 -5.147 11.028 1.00 0.00 O ATOM 0 H SER A 105 -10.576 -4.356 8.522 1.00 0.00 H new ATOM 0 HA SER A 105 -13.067 -5.652 9.155 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.575 -3.242 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.973 -3.996 11.049 1.00 0.00 H new ATOM 0 HG SER A 105 -10.355 -5.055 10.677 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.343 -3.228 7.212 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.304 -2.424 6.477 1.00 0.00 C ATOM 1610 C GLY A 106 -14.433 -1.006 7.024 1.00 0.00 C ATOM 1611 O GLY A 106 -15.338 -0.287 6.599 1.00 0.00 O ATOM 0 H GLY A 106 -12.460 -3.360 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.006 -2.378 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.279 -2.911 6.510 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.560 -0.575 7.939 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.643 0.764 8.521 1.00 0.00 C ATOM 1617 C GLN A 107 -13.044 1.781 7.563 1.00 0.00 C ATOM 1618 O GLN A 107 -13.608 2.841 7.307 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.956 0.797 9.897 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.317 -0.373 10.837 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.810 -0.542 11.148 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -15.690 -0.205 10.359 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.146 -1.144 12.275 1.00 0.00 N ATOM 0 H GLN A 107 -12.786 -1.137 8.292 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.689 1.027 8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.876 0.802 9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.214 1.733 10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.951 -1.298 10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.782 -0.238 11.777 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.423 -1.428 12.937 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.128 -1.325 12.483 1.00 0.00 H new ATOM 1632 N LEU A 108 -11.901 1.429 6.985 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.177 2.296 6.076 1.00 0.00 C ATOM 1634 C LEU A 108 -11.916 2.390 4.744 1.00 0.00 C ATOM 1635 O LEU A 108 -12.458 1.395 4.246 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.750 1.755 5.928 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.654 2.665 6.505 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.933 3.190 7.920 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.373 1.836 6.536 1.00 0.00 C ATOM 0 H LEU A 108 -11.451 0.526 7.138 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.117 3.312 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.692 0.783 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.547 1.590 4.870 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.592 3.550 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.106 3.822 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.855 3.772 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.037 2.349 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.559 2.439 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.522 0.959 7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.121 1.517 5.524 1.00 0.00 H new ATOM 1651 N LYS A 109 -11.917 3.591 4.168 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.495 3.959 2.877 1.00 0.00 C ATOM 1653 C LYS A 109 -11.829 5.249 2.407 1.00 0.00 C ATOM 1654 O LYS A 109 -11.117 5.884 3.179 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.021 4.163 2.981 1.00 0.00 C ATOM 1656 CG LYS A 109 -14.502 5.374 3.806 1.00 0.00 C ATOM 1657 CD LYS A 109 -14.497 5.155 5.324 1.00 0.00 C ATOM 1658 CE LYS A 109 -15.163 6.357 5.991 1.00 0.00 C ATOM 1659 NZ LYS A 109 -15.295 6.193 7.448 1.00 0.00 N ATOM 0 H LYS A 109 -11.481 4.392 4.626 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.321 3.153 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.421 4.258 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.456 3.262 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.868 6.230 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.514 5.632 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.031 4.239 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.476 5.039 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.580 7.254 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.150 6.509 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.752 7.035 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.874 5.353 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.352 6.075 7.871 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.093 5.667 1.174 1.00 0.00 N ATOM 1674 CA ASP A 110 -11.715 6.977 0.633 1.00 0.00 C ATOM 1675 C ASP A 110 -12.901 7.714 0.029 1.00 0.00 C ATOM 1676 O ASP A 110 -12.722 8.729 -0.645 1.00 0.00 O ATOM 1677 CB ASP A 110 -10.629 6.876 -0.428 1.00 0.00 C ATOM 1678 CG ASP A 110 -11.007 6.093 -1.681 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -11.328 4.888 -1.546 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -10.936 6.699 -2.769 1.00 0.00 O ATOM 0 H ASP A 110 -12.592 5.088 0.498 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.334 7.536 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.340 7.884 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -9.751 6.411 0.019 1.00 0.00 H new ATOM 1685 N SER A 111 -14.096 7.230 0.341 1.00 0.00 N ATOM 1686 CA SER A 111 -15.377 7.706 -0.156 1.00 0.00 C ATOM 1687 C SER A 111 -15.536 7.344 -1.644 1.00 0.00 C ATOM 1688 O SER A 111 -14.810 6.495 -2.180 1.00 0.00 O ATOM 1689 CB SER A 111 -15.470 9.212 0.124 1.00 0.00 C ATOM 1690 OG SER A 111 -16.796 9.660 0.281 1.00 0.00 O ATOM 0 H SER A 111 -14.201 6.448 0.987 1.00 0.00 H new ATOM 0 HA SER A 111 -16.208 7.221 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.904 9.444 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.002 9.758 -0.695 1.00 0.00 H new ATOM 0 HG SER A 111 -17.168 9.893 -0.595 1.00 0.00 H new ATOM 1696 N ASP A 112 -16.542 7.919 -2.295 1.00 0.00 N ATOM 1697 CA ASP A 112 -16.678 8.034 -3.733 1.00 0.00 C ATOM 1698 C ASP A 112 -15.670 9.085 -4.182 1.00 0.00 C ATOM 1699 O ASP A 112 -15.653 10.222 -3.703 1.00 0.00 O ATOM 1700 CB ASP A 112 -18.112 8.431 -4.129 1.00 0.00 C ATOM 1701 CG ASP A 112 -18.531 9.824 -3.653 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -18.344 10.141 -2.455 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -19.095 10.605 -4.444 1.00 0.00 O ATOM 0 H ASP A 112 -17.327 8.340 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.484 7.078 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -18.202 8.388 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -18.806 7.696 -3.722 1.00 0.00 H new ATOM 1708 N TYR A 113 -14.794 8.682 -5.086 1.00 0.00 N ATOM 1709 CA TYR A 113 -13.808 9.542 -5.730 1.00 0.00 C ATOM 1710 C TYR A 113 -14.126 9.650 -7.220 1.00 0.00 C ATOM 1711 O TYR A 113 -15.000 8.935 -7.720 1.00 0.00 O ATOM 1712 CB TYR A 113 -12.397 9.004 -5.463 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.366 10.096 -5.271 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -11.305 10.773 -4.038 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -10.497 10.463 -6.318 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -10.381 11.814 -3.849 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.571 11.503 -6.135 1.00 0.00 C ATOM 1718 CZ TYR A 113 -9.517 12.188 -4.904 1.00 0.00 C ATOM 1719 OH TYR A 113 -8.686 13.249 -4.757 1.00 0.00 O ATOM 0 H TYR A 113 -14.745 7.714 -5.405 1.00 0.00 H new ATOM 0 HA TYR A 113 -13.849 10.549 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -12.418 8.374 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.094 8.370 -6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.970 10.491 -3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.543 9.943 -7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -10.331 12.327 -2.900 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.901 11.778 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.160 13.368 -5.575 1.00 0.00 H new ATOM 1729 N GLU A 114 -13.417 10.529 -7.922 1.00 0.00 N ATOM 1730 CA GLU A 114 -13.646 10.881 -9.318 1.00 0.00 C ATOM 1731 C GLU A 114 -12.426 10.520 -10.169 1.00 0.00 C ATOM 1732 O GLU A 114 -11.325 10.334 -9.641 1.00 0.00 O ATOM 1733 CB GLU A 114 -14.031 12.363 -9.415 1.00 0.00 C ATOM 1734 CG GLU A 114 -13.029 13.342 -8.782 1.00 0.00 C ATOM 1735 CD GLU A 114 -13.397 14.802 -9.091 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -14.556 15.225 -8.841 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -12.531 15.537 -9.619 1.00 0.00 O ATOM 0 H GLU A 114 -12.632 11.038 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.478 10.303 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.153 12.622 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -15.001 12.502 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.005 13.192 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.027 13.131 -9.156 1.00 0.00 H new ATOM 1744 N VAL A 115 -12.614 10.418 -11.483 1.00 0.00 N ATOM 1745 CA VAL A 115 -11.623 9.926 -12.428 1.00 0.00 C ATOM 1746 C VAL A 115 -11.068 11.098 -13.245 1.00 0.00 C ATOM 1747 O VAL A 115 -11.704 12.152 -13.334 1.00 0.00 O ATOM 1748 CB VAL A 115 -12.261 8.817 -13.293 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -12.366 7.502 -12.504 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -13.650 9.153 -13.855 1.00 0.00 C ATOM 0 H VAL A 115 -13.491 10.685 -11.931 1.00 0.00 H new ATOM 0 HA VAL A 115 -10.773 9.479 -11.913 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.587 8.719 -14.144 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -12.818 6.735 -13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.370 7.180 -12.199 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -12.984 7.657 -11.620 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.015 8.314 -14.448 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -14.339 9.343 -13.032 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -13.583 10.040 -14.484 1.00 0.00 H new ATOM 1760 N HIS A 116 -9.874 10.944 -13.830 1.00 0.00 N ATOM 1761 CA HIS A 116 -9.218 12.033 -14.554 1.00 0.00 C ATOM 1762 C HIS A 116 -9.779 12.179 -15.965 1.00 0.00 C ATOM 1763 O HIS A 116 -9.296 11.528 -16.890 1.00 0.00 O ATOM 1764 CB HIS A 116 -7.685 11.900 -14.547 1.00 0.00 C ATOM 1765 CG HIS A 116 -7.097 10.597 -15.016 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -6.906 9.475 -14.240 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -6.661 10.319 -16.281 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -6.411 8.512 -15.037 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -6.230 9.008 -16.275 1.00 0.00 N ATOM 0 H HIS A 116 -9.344 10.073 -13.814 1.00 0.00 H new ATOM 0 HA HIS A 116 -9.444 12.956 -14.020 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -7.276 12.696 -15.169 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -7.337 12.079 -13.530 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -6.655 10.995 -17.123 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.193 7.499 -14.732 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.841 8.502 -17.071 1.00 0.00 H new ATOM 1778 N ASP A 117 -10.730 13.088 -16.157 1.00 0.00 N ATOM 1779 CA ASP A 117 -11.244 13.492 -17.465 1.00 0.00 C ATOM 1780 C ASP A 117 -10.095 13.912 -18.386 1.00 0.00 C ATOM 1781 O ASP A 117 -9.894 13.329 -19.456 1.00 0.00 O ATOM 1782 CB ASP A 117 -12.244 14.638 -17.276 1.00 0.00 C ATOM 1783 CG ASP A 117 -12.777 15.162 -18.603 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -13.434 14.373 -19.319 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -12.613 16.375 -18.871 1.00 0.00 O ATOM 0 H ASP A 117 -11.179 13.580 -15.384 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.752 12.650 -17.935 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -13.077 14.294 -16.663 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.763 15.452 -16.733 1.00 0.00 H new ATOM 1790 N HIS A 118 -9.292 14.896 -17.959 1.00 0.00 N ATOM 1791 CA HIS A 118 -8.134 15.333 -18.733 1.00 0.00 C ATOM 1792 C HIS A 118 -7.023 14.278 -18.672 1.00 0.00 C ATOM 1793 O HIS A 118 -6.520 13.974 -17.581 1.00 0.00 O ATOM 1794 CB HIS A 118 -7.638 16.726 -18.303 1.00 0.00 C ATOM 1795 CG HIS A 118 -7.473 17.685 -19.464 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -7.850 19.013 -19.448 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -6.954 17.415 -20.706 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -7.543 19.548 -20.644 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -7.005 18.592 -21.429 1.00 0.00 N ATOM 0 H HIS A 118 -9.427 15.400 -17.083 1.00 0.00 H new ATOM 0 HA HIS A 118 -8.444 15.434 -19.773 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.342 17.150 -17.587 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -6.683 16.622 -17.788 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -6.577 16.464 -21.052 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -7.702 20.577 -20.929 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -6.690 18.716 -22.391 1.00 0.00 H new ATOM 1808 N HIS A 119 -6.572 13.772 -19.819 1.00 0.00 N ATOM 1809 CA HIS A 119 -5.291 13.077 -20.008 1.00 0.00 C ATOM 1810 C HIS A 119 -4.584 13.712 -21.213 1.00 0.00 C ATOM 1811 O HIS A 119 -5.068 14.713 -21.736 1.00 0.00 O ATOM 1812 CB HIS A 119 -5.490 11.549 -20.115 1.00 0.00 C ATOM 1813 CG HIS A 119 -6.193 11.076 -21.364 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -5.699 10.163 -22.276 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -7.460 11.407 -21.756 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -6.617 10.007 -23.241 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -7.697 10.754 -22.947 1.00 0.00 N ATOM 0 H HIS A 119 -7.111 13.836 -20.683 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.645 13.200 -19.139 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -4.513 11.068 -20.063 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.058 11.212 -19.248 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.796 9.691 -22.224 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -8.145 12.057 -21.232 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.507 9.382 -24.115 1.00 0.00 H new ATOM 1826 N HIS A 120 -3.410 13.221 -21.614 1.00 0.00 N ATOM 1827 CA HIS A 120 -2.651 13.737 -22.755 1.00 0.00 C ATOM 1828 C HIS A 120 -1.699 12.645 -23.267 1.00 0.00 C ATOM 1829 O HIS A 120 -0.492 12.720 -23.042 1.00 0.00 O ATOM 1830 CB HIS A 120 -1.952 15.071 -22.388 1.00 0.00 C ATOM 1831 CG HIS A 120 -1.305 15.142 -21.016 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -1.770 15.844 -19.912 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -0.101 14.590 -20.678 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -0.863 15.694 -18.927 1.00 0.00 C ATOM 1835 NE2 HIS A 120 0.154 14.929 -19.364 1.00 0.00 N ATOM 0 H HIS A 120 -2.951 12.439 -21.146 1.00 0.00 H new ATOM 0 HA HIS A 120 -3.319 13.982 -23.581 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -1.186 15.272 -23.137 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -2.687 15.873 -22.460 1.00 0.00 H new ATOM 0 HD2 HIS A 120 0.534 13.998 -21.320 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -0.940 16.122 -17.938 1.00 0.00 H new ATOM 0 HE2 HIS A 120 0.970 14.649 -18.820 1.00 0.00 H new ATOM 1844 N HIS A 121 -2.242 11.614 -23.930 1.00 0.00 N ATOM 1845 CA HIS A 121 -1.599 10.333 -24.258 1.00 0.00 C ATOM 1846 C HIS A 121 -0.687 9.862 -23.121 1.00 0.00 C ATOM 1847 O HIS A 121 0.521 10.122 -23.103 1.00 0.00 O ATOM 1848 CB HIS A 121 -0.887 10.368 -25.625 1.00 0.00 C ATOM 1849 CG HIS A 121 -1.723 9.910 -26.796 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -1.843 10.560 -28.009 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -2.336 8.694 -26.916 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -2.503 9.749 -28.855 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -2.831 8.619 -28.201 1.00 0.00 N ATOM 0 H HIS A 121 -3.202 11.655 -24.273 1.00 0.00 H new ATOM 0 HA HIS A 121 -2.387 9.587 -24.358 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.550 11.387 -25.816 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.004 9.743 -25.569 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.417 7.937 -26.150 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -2.732 9.968 -29.888 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -3.358 7.837 -28.591 1.00 0.00 H new ATOM 1862 N GLU A 122 -1.287 9.164 -22.166 1.00 0.00 N ATOM 1863 CA GLU A 122 -0.611 8.462 -21.089 1.00 0.00 C ATOM 1864 C GLU A 122 0.396 7.468 -21.660 1.00 0.00 C ATOM 1865 O GLU A 122 0.262 6.989 -22.789 1.00 0.00 O ATOM 1866 CB GLU A 122 -1.612 7.758 -20.154 1.00 0.00 C ATOM 1867 CG GLU A 122 -2.629 6.834 -20.850 1.00 0.00 C ATOM 1868 CD GLU A 122 -3.865 7.611 -21.301 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -4.825 7.732 -20.508 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -3.844 8.193 -22.409 1.00 0.00 O ATOM 0 H GLU A 122 -2.302 9.069 -22.121 1.00 0.00 H new ATOM 0 HA GLU A 122 -0.075 9.198 -20.490 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.052 7.171 -19.426 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.159 8.518 -19.597 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.161 6.358 -21.712 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.926 6.037 -20.168 1.00 0.00 H new ATOM 1877 N HIS A 123 1.386 7.128 -20.845 1.00 0.00 N ATOM 1878 CA HIS A 123 2.324 6.038 -21.046 1.00 0.00 C ATOM 1879 C HIS A 123 2.357 5.250 -19.741 1.00 0.00 C ATOM 1880 O HIS A 123 1.786 5.708 -18.740 1.00 0.00 O ATOM 1881 CB HIS A 123 3.703 6.593 -21.439 1.00 0.00 C ATOM 1882 CG HIS A 123 3.745 7.285 -22.784 1.00 0.00 C ATOM 1883 ND1 HIS A 123 2.884 7.074 -23.850 1.00 0.00 N ATOM 1884 CD2 HIS A 123 4.709 8.165 -23.193 1.00 0.00 C ATOM 1885 CE1 HIS A 123 3.323 7.809 -24.888 1.00 0.00 C ATOM 1886 NE2 HIS A 123 4.432 8.477 -24.511 1.00 0.00 N ATOM 0 H HIS A 123 1.563 7.636 -19.978 1.00 0.00 H new ATOM 0 HA HIS A 123 2.023 5.381 -21.862 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.028 7.297 -20.673 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.422 5.773 -21.444 1.00 0.00 H new ATOM 0 HD1 HIS A 123 2.063 6.469 -23.848 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.529 8.543 -22.600 1.00 0.00 H new ATOM 0 HE1 HIS A 123 2.862 7.856 -25.864 1.00 0.00 H new ATOM 1895 N HIS A 124 2.969 4.067 -19.760 1.00 0.00 N ATOM 1896 CA HIS A 124 3.066 3.268 -18.549 1.00 0.00 C ATOM 1897 C HIS A 124 3.884 4.023 -17.508 1.00 0.00 C ATOM 1898 O HIS A 124 4.626 4.961 -17.867 1.00 0.00 O ATOM 1899 CB HIS A 124 3.525 1.832 -18.858 1.00 0.00 C ATOM 1900 CG HIS A 124 4.955 1.466 -18.541 1.00 0.00 C ATOM 1901 ND1 HIS A 124 5.340 0.586 -17.547 1.00 0.00 N ATOM 1902 CD2 HIS A 124 6.063 1.785 -19.276 1.00 0.00 C ATOM 1903 CE1 HIS A 124 6.654 0.349 -17.693 1.00 0.00 C ATOM 1904 NE2 HIS A 124 7.113 1.071 -18.731 1.00 0.00 N ATOM 0 H HIS A 124 3.397 3.650 -20.587 1.00 0.00 H new ATOM 0 HA HIS A 124 2.083 3.125 -18.100 1.00 0.00 H new ATOM 0 HB2 HIS A 124 2.875 1.148 -18.312 1.00 0.00 H new ATOM 0 HB3 HIS A 124 3.360 1.649 -19.920 1.00 0.00 H new ATOM 0 HD2 HIS A 124 6.108 2.462 -20.117 1.00 0.00 H new ATOM 0 HE1 HIS A 124 7.245 -0.313 -17.078 1.00 0.00 H new ATOM 0 HE2 HIS A 124 8.078 1.089 -19.062 1.00 0.00 H new TER 1913 HIS A 124