USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.101 K(o=0.1,f=-0.66) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -3.31 K(o=-4.1,f=-4.8!) USER MOD Set 2.2: A 58 SER OG : rot 140:sc= 0 USER MOD Set 2.3: A 69 TYR OH : rot 70:sc= -0.754 USER MOD Set 3.1: A 32 THR OG1 : rot 114:sc= 0.788 USER MOD Set 3.2: A 34 SER OG : rot 180:sc= 0.556 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00964 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.269 F(o=-1.5!,f=-0.27) USER MOD Single : A 38 SER OG : rot 97:sc= 1.13 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.0778 F(o=-0.54,f=0.078) USER MOD Single : A 42 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.043) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : A 59 SER OG : rot -170:sc= -0.97 USER MOD Single : A 60 GLN : amide:sc= -0.0705 K(o=-0.07,f=-2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.134 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.439 F(o=-1.2,f=-0.44) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.2) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.836 X(o=-0.84,f=-0.76) USER MOD Single : A 76 THR OG1 : rot 73:sc= -3.24! USER MOD Single : A 79 THR OG1 : rot -101:sc= -0.707 USER MOD Single : A 82 MET CE :methyl -125:sc= -1.36 (180deg=-3.26!) USER MOD Single : A 85 MET CE :methyl -135:sc= -0.346 (180deg=-1.89!) USER MOD Single : A 86 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.5!) USER MOD Single : A 87 HIS : no HE2:sc= -4.14! C(o=-4.1!,f=-5.1!) USER MOD Single : A 103 HIS : no HD1:sc= -0.821 X(o=-0.82,f=-0.71) USER MOD Single : A 105 ASN : amide:sc= -5.94! C(o=-5.9!,f=-15!) USER MOD Single : A 109 MET CE :methyl -144:sc= -12.2! (180deg=-15.9!) USER MOD Single : A 111 SER OG : rot 90:sc= 0.0333 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -172:sc= -0.247 (180deg=-0.489) USER MOD Single : A 124 GLN : amide:sc=-0.00874 X(o=-0.0087,f=-0.18) USER MOD Single : A 125 HIS : no HE2:sc= 0.797 K(o=0.8,f=-2.4!) USER MOD Single : A 127 MET CE :methyl -169:sc= -0.0837 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.448 10.589 -6.992 1.00 0.00 N ATOM 44 CA THR A 32 -15.623 9.864 -6.515 1.00 0.00 C ATOM 45 C THR A 32 -15.331 9.163 -5.192 1.00 0.00 C ATOM 46 O THR A 32 -14.232 8.653 -4.978 1.00 0.00 O ATOM 47 CB THR A 32 -16.087 8.840 -7.555 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.324 7.651 -7.463 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.986 9.338 -8.981 1.00 0.00 C ATOM 0 HA THR A 32 -16.420 10.591 -6.356 1.00 0.00 H new ATOM 0 HB THR A 32 -17.137 8.658 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.900 6.915 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.331 8.561 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.605 10.227 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.949 9.585 -9.208 1.00 0.00 H new ATOM 57 N SER A 33 -16.323 9.141 -4.307 1.00 0.00 N ATOM 58 CA SER A 33 -16.173 8.501 -3.004 1.00 0.00 C ATOM 59 C SER A 33 -15.788 7.034 -3.158 1.00 0.00 C ATOM 60 O SER A 33 -15.071 6.479 -2.326 1.00 0.00 O ATOM 61 CB SER A 33 -17.471 8.619 -2.202 1.00 0.00 C ATOM 62 OG SER A 33 -18.602 8.393 -3.026 1.00 0.00 O ATOM 0 H SER A 33 -17.239 9.559 -4.468 1.00 0.00 H new ATOM 0 HA SER A 33 -15.374 9.012 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.463 7.899 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.536 9.610 -1.753 1.00 0.00 H new ATOM 0 HG SER A 33 -19.418 8.472 -2.490 1.00 0.00 H new ATOM 68 N SER A 34 -16.267 6.412 -4.230 1.00 0.00 N ATOM 69 CA SER A 34 -15.970 5.010 -4.495 1.00 0.00 C ATOM 70 C SER A 34 -14.507 4.835 -4.886 1.00 0.00 C ATOM 71 O SER A 34 -13.897 3.804 -4.603 1.00 0.00 O ATOM 72 CB SER A 34 -16.876 4.474 -5.605 1.00 0.00 C ATOM 73 OG SER A 34 -17.146 5.475 -6.571 1.00 0.00 O ATOM 0 H SER A 34 -16.862 6.857 -4.929 1.00 0.00 H new ATOM 0 HA SER A 34 -16.157 4.444 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.400 3.619 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.812 4.118 -5.175 1.00 0.00 H new ATOM 0 HG SER A 34 -17.725 5.107 -7.270 1.00 0.00 H new ATOM 79 N GLN A 35 -13.948 5.851 -5.536 1.00 0.00 N ATOM 80 CA GLN A 35 -12.555 5.811 -5.963 1.00 0.00 C ATOM 81 C GLN A 35 -11.622 5.913 -4.765 1.00 0.00 C ATOM 82 O GLN A 35 -10.650 5.165 -4.657 1.00 0.00 O ATOM 83 CB GLN A 35 -12.276 6.940 -6.954 1.00 0.00 C ATOM 84 CG GLN A 35 -10.812 7.077 -7.341 1.00 0.00 C ATOM 85 CD GLN A 35 -10.285 5.858 -8.072 1.00 0.00 C ATOM 86 OE1 GLN A 35 -9.892 4.839 -7.317 1.00 0.00 O flip ATOM 87 NE2 GLN A 35 -10.233 5.832 -9.301 1.00 0.00 N flip ATOM 0 H GLN A 35 -14.439 6.712 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.372 4.857 -6.457 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.865 6.772 -7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.616 7.881 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.688 7.957 -7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.217 7.243 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.546 6.638 -9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.877 5.004 -9.779 1.00 0.00 H new ATOM 96 N LEU A 36 -11.927 6.837 -3.859 1.00 0.00 N ATOM 97 CA LEU A 36 -11.118 7.025 -2.662 1.00 0.00 C ATOM 98 C LEU A 36 -10.947 5.700 -1.928 1.00 0.00 C ATOM 99 O LEU A 36 -9.833 5.309 -1.576 1.00 0.00 O ATOM 100 CB LEU A 36 -11.768 8.053 -1.733 1.00 0.00 C ATOM 101 CG LEU A 36 -11.342 9.503 -1.967 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.859 9.679 -1.678 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.665 9.926 -3.392 1.00 0.00 C ATOM 0 H LEU A 36 -12.727 7.466 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.138 7.394 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.850 7.987 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.537 7.785 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.900 10.142 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.575 10.717 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.657 9.415 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.281 9.031 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.356 10.960 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.133 9.282 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.738 9.839 -3.563 1.00 0.00 H new ATOM 115 N LEU A 37 -12.062 5.014 -1.707 1.00 0.00 N ATOM 116 CA LEU A 37 -12.043 3.732 -1.021 1.00 0.00 C ATOM 117 C LEU A 37 -11.662 2.597 -1.972 1.00 0.00 C ATOM 118 O LEU A 37 -11.284 1.512 -1.531 1.00 0.00 O ATOM 119 CB LEU A 37 -13.402 3.451 -0.373 1.00 0.00 C ATOM 120 CG LEU A 37 -14.483 2.926 -1.319 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.487 1.405 -1.331 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.848 3.463 -0.916 1.00 0.00 C ATOM 0 H LEU A 37 -12.990 5.326 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.285 3.783 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.261 2.726 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.762 4.370 0.089 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.261 3.276 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.262 1.049 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.516 1.041 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.686 1.034 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.606 3.080 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.080 3.142 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.838 4.552 -0.959 1.00 0.00 H new ATOM 134 N SER A 38 -11.762 2.842 -3.279 1.00 0.00 N ATOM 135 CA SER A 38 -11.419 1.820 -4.260 1.00 0.00 C ATOM 136 C SER A 38 -9.911 1.594 -4.306 1.00 0.00 C ATOM 137 O SER A 38 -9.445 0.526 -4.705 1.00 0.00 O ATOM 138 CB SER A 38 -11.927 2.214 -5.647 1.00 0.00 C ATOM 139 OG SER A 38 -13.257 1.767 -5.850 1.00 0.00 O ATOM 0 H SER A 38 -12.074 3.728 -3.676 1.00 0.00 H new ATOM 0 HA SER A 38 -11.901 0.891 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.883 3.297 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.276 1.788 -6.411 1.00 0.00 H new ATOM 0 HG SER A 38 -13.881 2.499 -5.660 1.00 0.00 H new ATOM 145 N VAL A 39 -9.150 2.601 -3.887 1.00 0.00 N ATOM 146 CA VAL A 39 -7.700 2.499 -3.881 1.00 0.00 C ATOM 147 C VAL A 39 -7.209 1.955 -2.547 1.00 0.00 C ATOM 148 O VAL A 39 -6.355 1.072 -2.503 1.00 0.00 O ATOM 149 CB VAL A 39 -7.033 3.859 -4.160 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.545 3.680 -4.420 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.706 4.551 -5.337 1.00 0.00 C ATOM 0 H VAL A 39 -9.514 3.492 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.421 1.811 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.152 4.490 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.090 4.651 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.075 3.228 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.402 3.032 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.222 5.510 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.619 3.925 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.760 4.714 -5.110 1.00 0.00 H new ATOM 161 N ARG A 40 -7.767 2.474 -1.458 1.00 0.00 N ATOM 162 CA ARG A 40 -7.391 2.017 -0.127 1.00 0.00 C ATOM 163 C ARG A 40 -7.685 0.529 0.019 1.00 0.00 C ATOM 164 O ARG A 40 -7.027 -0.175 0.785 1.00 0.00 O ATOM 165 CB ARG A 40 -8.134 2.816 0.946 1.00 0.00 C ATOM 166 CG ARG A 40 -9.633 2.560 0.980 1.00 0.00 C ATOM 167 CD ARG A 40 -10.002 1.427 1.925 1.00 0.00 C ATOM 168 NE ARG A 40 -9.438 1.614 3.260 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.603 0.752 4.262 1.00 0.00 C ATOM 170 NH1 ARG A 40 -10.312 -0.355 4.083 1.00 0.00 N ATOM 171 NH2 ARG A 40 -9.059 1.000 5.445 1.00 0.00 N ATOM 0 H ARG A 40 -8.477 3.207 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.321 2.178 0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.712 2.575 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.961 3.879 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.148 3.470 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.982 2.321 -0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.087 1.356 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.648 0.482 1.512 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.886 2.454 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.734 -0.549 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.435 -1.012 4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.514 1.851 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.185 0.340 6.213 1.00 0.00 H new ATOM 185 N HIS A 41 -8.674 0.056 -0.735 1.00 0.00 N ATOM 186 CA HIS A 41 -9.054 -1.348 -0.707 1.00 0.00 C ATOM 187 C HIS A 41 -8.050 -2.182 -1.497 1.00 0.00 C ATOM 188 O HIS A 41 -7.647 -3.260 -1.064 1.00 0.00 O ATOM 189 CB HIS A 41 -10.459 -1.531 -1.286 1.00 0.00 C ATOM 190 CG HIS A 41 -11.535 -1.581 -0.247 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.194 -0.588 0.398 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.056 -2.762 0.241 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.089 -1.182 1.253 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.987 -2.493 1.139 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.226 0.629 -1.373 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.056 -1.686 0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.668 -0.712 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.485 -2.452 -1.869 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.052 0.414 0.272 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.750 -3.752 -0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.767 -0.661 1.912 1.00 0.00 H new ATOM 203 N GLN A 42 -7.648 -1.670 -2.659 1.00 0.00 N ATOM 204 CA GLN A 42 -6.687 -2.368 -3.506 1.00 0.00 C ATOM 205 C GLN A 42 -5.272 -2.252 -2.939 1.00 0.00 C ATOM 206 O GLN A 42 -4.431 -3.124 -3.161 1.00 0.00 O ATOM 207 CB GLN A 42 -6.742 -1.820 -4.939 1.00 0.00 C ATOM 208 CG GLN A 42 -5.980 -0.517 -5.141 1.00 0.00 C ATOM 209 CD GLN A 42 -4.755 -0.687 -6.019 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.856 -0.729 -7.245 1.00 0.00 O ATOM 211 NE2 GLN A 42 -3.588 -0.788 -5.392 1.00 0.00 N ATOM 0 H GLN A 42 -7.972 -0.778 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.955 -3.424 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.340 -2.571 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.785 -1.664 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.644 0.222 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.675 -0.125 -4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.551 -0.748 -4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.729 -0.906 -5.929 1.00 0.00 H new ATOM 220 N LEU A 43 -5.016 -1.171 -2.206 1.00 0.00 N ATOM 221 CA LEU A 43 -3.704 -0.944 -1.608 1.00 0.00 C ATOM 222 C LEU A 43 -3.520 -1.809 -0.364 1.00 0.00 C ATOM 223 O LEU A 43 -2.699 -2.726 -0.348 1.00 0.00 O ATOM 224 CB LEU A 43 -3.534 0.537 -1.240 1.00 0.00 C ATOM 225 CG LEU A 43 -2.155 1.161 -1.521 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.776 2.124 -0.407 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.076 0.096 -1.682 1.00 0.00 C ATOM 0 H LEU A 43 -5.700 -0.439 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.946 -1.219 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.285 1.112 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.750 0.652 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.226 1.708 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.799 2.558 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.520 2.918 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.737 1.587 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.117 0.576 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.006 -0.492 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.332 -0.558 -2.515 1.00 0.00 H new ATOM 239 N ALA A 44 -4.290 -1.505 0.678 1.00 0.00 N ATOM 240 CA ALA A 44 -4.218 -2.245 1.935 1.00 0.00 C ATOM 241 C ALA A 44 -4.226 -3.754 1.701 1.00 0.00 C ATOM 242 O ALA A 44 -3.453 -4.489 2.315 1.00 0.00 O ATOM 243 CB ALA A 44 -5.371 -1.846 2.845 1.00 0.00 C ATOM 0 H ALA A 44 -4.974 -0.748 0.676 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.275 -1.990 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.307 -2.404 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.315 -0.778 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.317 -2.070 2.353 1.00 0.00 H new ATOM 249 N GLU A 45 -5.104 -4.211 0.813 1.00 0.00 N ATOM 250 CA GLU A 45 -5.207 -5.634 0.504 1.00 0.00 C ATOM 251 C GLU A 45 -3.857 -6.198 0.074 1.00 0.00 C ATOM 252 O GLU A 45 -3.331 -7.120 0.697 1.00 0.00 O ATOM 253 CB GLU A 45 -6.244 -5.868 -0.596 1.00 0.00 C ATOM 254 CG GLU A 45 -7.646 -6.122 -0.067 1.00 0.00 C ATOM 255 CD GLU A 45 -8.362 -7.226 -0.820 1.00 0.00 C ATOM 256 OE1 GLU A 45 -7.984 -7.496 -1.979 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.301 -7.821 -0.250 1.00 0.00 O ATOM 0 H GLU A 45 -5.753 -3.618 0.296 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.526 -6.152 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.265 -5.000 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.933 -6.720 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.590 -6.385 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.228 -5.203 -0.136 1.00 0.00 H new ATOM 264 N SER A 46 -3.298 -5.634 -0.992 1.00 0.00 N ATOM 265 CA SER A 46 -2.007 -6.079 -1.501 1.00 0.00 C ATOM 266 C SER A 46 -0.895 -5.775 -0.501 1.00 0.00 C ATOM 267 O SER A 46 0.119 -6.471 -0.456 1.00 0.00 O ATOM 268 CB SER A 46 -1.703 -5.404 -2.840 1.00 0.00 C ATOM 269 OG SER A 46 -0.815 -6.189 -3.617 1.00 0.00 O ATOM 0 H SER A 46 -3.719 -4.869 -1.519 1.00 0.00 H new ATOM 0 HA SER A 46 -2.054 -7.158 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.631 -5.247 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.266 -4.421 -2.664 1.00 0.00 H new ATOM 0 HG SER A 46 -0.638 -5.737 -4.468 1.00 0.00 H new ATOM 275 N ALA A 47 -1.093 -4.731 0.298 1.00 0.00 N ATOM 276 CA ALA A 47 -0.107 -4.336 1.296 1.00 0.00 C ATOM 277 C ALA A 47 -0.098 -5.305 2.475 1.00 0.00 C ATOM 278 O ALA A 47 -0.458 -4.942 3.595 1.00 0.00 O ATOM 279 CB ALA A 47 -0.383 -2.918 1.776 1.00 0.00 C ATOM 0 H ALA A 47 -1.927 -4.144 0.273 1.00 0.00 H new ATOM 0 HA ALA A 47 0.878 -4.366 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.360 -2.635 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.330 -2.231 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.377 -2.871 2.220 1.00 0.00 H new ATOM 285 N GLY A 48 0.318 -6.541 2.215 1.00 0.00 N ATOM 286 CA GLY A 48 0.367 -7.542 3.264 1.00 0.00 C ATOM 287 C GLY A 48 0.733 -8.917 2.739 1.00 0.00 C ATOM 288 O GLY A 48 0.032 -9.472 1.892 1.00 0.00 O ATOM 0 H GLY A 48 0.622 -6.866 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.094 -7.239 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.603 -7.592 3.759 1.00 0.00 H new ATOM 292 N LEU A 49 1.833 -9.468 3.242 1.00 0.00 N ATOM 293 CA LEU A 49 2.290 -10.786 2.817 1.00 0.00 C ATOM 294 C LEU A 49 1.403 -11.882 3.406 1.00 0.00 C ATOM 295 O LEU A 49 1.007 -11.808 4.569 1.00 0.00 O ATOM 296 CB LEU A 49 3.743 -11.007 3.243 1.00 0.00 C ATOM 297 CG LEU A 49 4.773 -10.135 2.520 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.564 -10.190 1.015 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.696 -8.700 3.018 1.00 0.00 C ATOM 0 H LEU A 49 2.424 -9.023 3.944 1.00 0.00 H new ATOM 0 HA LEU A 49 2.227 -10.834 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.823 -10.823 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.998 -12.054 3.079 1.00 0.00 H new ATOM 0 HG LEU A 49 5.767 -10.525 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.307 -9.563 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.670 -11.219 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.565 -9.828 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.434 -8.093 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.699 -8.302 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.899 -8.675 4.089 1.00 0.00 H new ATOM 311 N PRO A 50 1.074 -12.919 2.612 1.00 0.00 N ATOM 312 CA PRO A 50 0.228 -14.023 3.075 1.00 0.00 C ATOM 313 C PRO A 50 0.872 -14.807 4.217 1.00 0.00 C ATOM 314 O PRO A 50 0.453 -14.692 5.369 1.00 0.00 O ATOM 315 CB PRO A 50 0.057 -14.911 1.833 1.00 0.00 C ATOM 316 CG PRO A 50 0.472 -14.063 0.678 1.00 0.00 C ATOM 317 CD PRO A 50 1.492 -13.099 1.213 1.00 0.00 C ATOM 0 HA PRO A 50 -0.719 -13.662 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.673 -15.807 1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.976 -15.242 1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.894 -14.673 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.382 -13.533 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.503 -13.500 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.484 -12.157 0.665 1.00 0.00 H new ATOM 325 N ARG A 51 1.889 -15.603 3.897 1.00 0.00 N ATOM 326 CA ARG A 51 2.579 -16.399 4.907 1.00 0.00 C ATOM 327 C ARG A 51 4.052 -16.589 4.554 1.00 0.00 C ATOM 328 O ARG A 51 4.934 -16.028 5.204 1.00 0.00 O ATOM 329 CB ARG A 51 1.898 -17.761 5.066 1.00 0.00 C ATOM 330 CG ARG A 51 1.782 -18.217 6.511 1.00 0.00 C ATOM 331 CD ARG A 51 1.016 -19.525 6.623 1.00 0.00 C ATOM 332 NE ARG A 51 1.005 -20.038 7.991 1.00 0.00 N ATOM 333 CZ ARG A 51 2.026 -20.686 8.548 1.00 0.00 C ATOM 334 NH1 ARG A 51 3.139 -20.902 7.858 1.00 0.00 N ATOM 335 NH2 ARG A 51 1.933 -21.118 9.798 1.00 0.00 N ATOM 0 H ARG A 51 2.252 -15.714 2.950 1.00 0.00 H new ATOM 0 HA ARG A 51 2.524 -15.859 5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.901 -17.713 4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.459 -18.507 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.778 -18.340 6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.279 -17.448 7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.009 -19.375 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.465 -20.266 5.962 1.00 0.00 H new ATOM 0 HE ARG A 51 0.166 -19.891 8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.215 -20.571 6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.918 -21.399 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.080 -20.954 10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.715 -21.615 10.225 1.00 0.00 H new ATOM 349 N ASP A 52 4.308 -17.392 3.526 1.00 0.00 N ATOM 350 CA ASP A 52 5.673 -17.669 3.088 1.00 0.00 C ATOM 351 C ASP A 52 6.404 -16.385 2.707 1.00 0.00 C ATOM 352 O ASP A 52 7.574 -16.205 3.043 1.00 0.00 O ATOM 353 CB ASP A 52 5.663 -18.633 1.901 1.00 0.00 C ATOM 354 CG ASP A 52 4.764 -19.832 2.137 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.757 -20.354 3.272 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.068 -20.248 1.188 1.00 0.00 O ATOM 0 H ASP A 52 3.587 -17.863 2.979 1.00 0.00 H new ATOM 0 HA ASP A 52 6.204 -18.129 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.330 -18.103 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.679 -18.977 1.707 1.00 0.00 H new ATOM 361 N GLN A 53 5.710 -15.498 2.001 1.00 0.00 N ATOM 362 CA GLN A 53 6.300 -14.233 1.571 1.00 0.00 C ATOM 363 C GLN A 53 6.916 -13.484 2.750 1.00 0.00 C ATOM 364 O GLN A 53 7.881 -12.737 2.586 1.00 0.00 O ATOM 365 CB GLN A 53 5.245 -13.359 0.892 1.00 0.00 C ATOM 366 CG GLN A 53 4.738 -13.927 -0.424 1.00 0.00 C ATOM 367 CD GLN A 53 4.306 -12.848 -1.396 1.00 0.00 C ATOM 368 OE1 GLN A 53 5.125 -12.061 -1.873 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.013 -12.804 -1.696 1.00 0.00 N ATOM 0 H GLN A 53 4.740 -15.630 1.714 1.00 0.00 H new ATOM 0 HA GLN A 53 7.092 -14.458 0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.402 -13.229 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.666 -12.370 0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.522 -14.530 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.897 -14.593 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.369 -13.476 -1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.664 -12.099 -2.345 1.00 0.00 H new ATOM 378 N HIS A 54 6.354 -13.688 3.937 1.00 0.00 N ATOM 379 CA HIS A 54 6.852 -13.031 5.140 1.00 0.00 C ATOM 380 C HIS A 54 7.923 -13.878 5.821 1.00 0.00 C ATOM 381 O HIS A 54 8.897 -13.351 6.359 1.00 0.00 O ATOM 382 CB HIS A 54 5.704 -12.762 6.116 1.00 0.00 C ATOM 383 CG HIS A 54 6.132 -12.042 7.357 1.00 0.00 C ATOM 384 ND1 HIS A 54 7.022 -12.572 8.267 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.791 -10.821 7.835 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.210 -11.710 9.250 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.476 -10.640 9.011 1.00 0.00 N ATOM 0 H HIS A 54 5.554 -14.302 4.092 1.00 0.00 H new ATOM 0 HA HIS A 54 7.298 -12.082 4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.938 -12.174 5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.245 -13.710 6.396 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.108 -10.121 7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.855 -11.856 10.104 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.426 -9.812 9.604 1.00 0.00 H new ATOM 396 N GLU A 55 7.733 -15.193 5.798 1.00 0.00 N ATOM 397 CA GLU A 55 8.679 -16.116 6.416 1.00 0.00 C ATOM 398 C GLU A 55 10.079 -15.956 5.827 1.00 0.00 C ATOM 399 O GLU A 55 11.068 -16.351 6.444 1.00 0.00 O ATOM 400 CB GLU A 55 8.203 -17.559 6.237 1.00 0.00 C ATOM 401 CG GLU A 55 7.153 -17.983 7.251 1.00 0.00 C ATOM 402 CD GLU A 55 7.553 -19.225 8.023 1.00 0.00 C ATOM 403 OE1 GLU A 55 8.530 -19.153 8.798 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.890 -20.270 7.853 1.00 0.00 O ATOM 0 H GLU A 55 6.931 -15.644 5.357 1.00 0.00 H new ATOM 0 HA GLU A 55 8.728 -15.880 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.795 -17.676 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.060 -18.228 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.979 -17.166 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.210 -18.168 6.736 1.00 0.00 H new ATOM 411 N PHE A 56 10.160 -15.380 4.632 1.00 0.00 N ATOM 412 CA PHE A 56 11.443 -15.178 3.969 1.00 0.00 C ATOM 413 C PHE A 56 11.958 -13.757 4.195 1.00 0.00 C ATOM 414 O PHE A 56 13.032 -13.558 4.759 1.00 0.00 O ATOM 415 CB PHE A 56 11.310 -15.471 2.466 1.00 0.00 C ATOM 416 CG PHE A 56 12.277 -14.712 1.595 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.635 -14.986 1.636 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.824 -13.724 0.735 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.522 -14.290 0.837 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.707 -13.025 -0.066 1.00 0.00 C ATOM 421 CZ PHE A 56 14.057 -13.308 -0.016 1.00 0.00 C ATOM 0 H PHE A 56 9.354 -15.045 4.104 1.00 0.00 H new ATOM 0 HA PHE A 56 12.167 -15.869 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.454 -16.539 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.294 -15.235 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.005 -15.753 2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.769 -13.498 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.578 -14.514 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.341 -12.257 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.748 -12.763 -0.642 1.00 0.00 H new ATOM 431 N VAL A 57 11.188 -12.777 3.739 1.00 0.00 N ATOM 432 CA VAL A 57 11.565 -11.373 3.871 1.00 0.00 C ATOM 433 C VAL A 57 11.765 -10.954 5.330 1.00 0.00 C ATOM 434 O VAL A 57 12.314 -9.886 5.598 1.00 0.00 O ATOM 435 CB VAL A 57 10.506 -10.455 3.229 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.158 -10.637 3.907 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.946 -8.999 3.286 1.00 0.00 C ATOM 0 H VAL A 57 10.294 -12.929 3.272 1.00 0.00 H new ATOM 0 HA VAL A 57 12.516 -11.265 3.350 1.00 0.00 H new ATOM 0 HB VAL A 57 10.402 -10.736 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.424 -9.980 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.836 -11.673 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.246 -10.388 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.183 -8.370 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.085 -8.701 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.886 -8.881 2.746 1.00 0.00 H new ATOM 447 N SER A 58 11.311 -11.779 6.272 1.00 0.00 N ATOM 448 CA SER A 58 11.446 -11.447 7.688 1.00 0.00 C ATOM 449 C SER A 58 12.289 -12.473 8.445 1.00 0.00 C ATOM 450 O SER A 58 12.960 -12.132 9.419 1.00 0.00 O ATOM 451 CB SER A 58 10.064 -11.340 8.335 1.00 0.00 C ATOM 452 OG SER A 58 10.159 -10.859 9.665 1.00 0.00 O ATOM 0 H SER A 58 10.852 -12.670 6.084 1.00 0.00 H new ATOM 0 HA SER A 58 11.960 -10.488 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.435 -10.672 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.581 -12.317 8.332 1.00 0.00 H new ATOM 0 HG SER A 58 9.429 -10.229 9.838 1.00 0.00 H new ATOM 458 N SER A 59 12.241 -13.729 8.014 1.00 0.00 N ATOM 459 CA SER A 59 12.994 -14.788 8.684 1.00 0.00 C ATOM 460 C SER A 59 14.219 -15.230 7.881 1.00 0.00 C ATOM 461 O SER A 59 15.050 -15.987 8.382 1.00 0.00 O ATOM 462 CB SER A 59 12.089 -15.993 8.948 1.00 0.00 C ATOM 463 OG SER A 59 10.721 -15.647 8.809 1.00 0.00 O ATOM 0 H SER A 59 11.694 -14.039 7.211 1.00 0.00 H new ATOM 0 HA SER A 59 13.351 -14.378 9.629 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.336 -16.796 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.270 -16.374 9.953 1.00 0.00 H new ATOM 0 HG SER A 59 10.163 -16.384 9.134 1.00 0.00 H new ATOM 469 N GLN A 60 14.331 -14.771 6.638 1.00 0.00 N ATOM 470 CA GLN A 60 15.462 -15.150 5.794 1.00 0.00 C ATOM 471 C GLN A 60 16.198 -13.926 5.254 1.00 0.00 C ATOM 472 O GLN A 60 17.372 -13.713 5.559 1.00 0.00 O ATOM 473 CB GLN A 60 14.984 -16.021 4.633 1.00 0.00 C ATOM 474 CG GLN A 60 14.700 -17.461 5.029 1.00 0.00 C ATOM 475 CD GLN A 60 14.761 -18.413 3.851 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.206 -18.046 2.763 1.00 0.00 O ATOM 477 NE2 GLN A 60 14.314 -19.645 4.063 1.00 0.00 N ATOM 0 H GLN A 60 13.661 -14.143 6.195 1.00 0.00 H new ATOM 0 HA GLN A 60 16.159 -15.716 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.079 -15.584 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.740 -16.011 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.421 -17.775 5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.713 -17.520 5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.954 -19.906 4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.331 -20.331 3.308 1.00 0.00 H new ATOM 486 N ALA A 61 15.504 -13.135 4.440 1.00 0.00 N ATOM 487 CA ALA A 61 16.084 -11.936 3.837 1.00 0.00 C ATOM 488 C ALA A 61 16.945 -11.154 4.831 1.00 0.00 C ATOM 489 O ALA A 61 16.695 -11.177 6.036 1.00 0.00 O ATOM 490 CB ALA A 61 14.981 -11.048 3.280 1.00 0.00 C ATOM 0 H ALA A 61 14.532 -13.304 4.181 1.00 0.00 H new ATOM 0 HA ALA A 61 16.736 -12.257 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.422 -10.157 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.421 -11.596 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.309 -10.754 4.086 1.00 0.00 H new ATOM 496 N PRO A 62 17.979 -10.454 4.331 1.00 0.00 N ATOM 497 CA PRO A 62 18.886 -9.665 5.172 1.00 0.00 C ATOM 498 C PRO A 62 18.230 -8.400 5.717 1.00 0.00 C ATOM 499 O PRO A 62 17.224 -7.931 5.184 1.00 0.00 O ATOM 500 CB PRO A 62 20.027 -9.306 4.219 1.00 0.00 C ATOM 501 CG PRO A 62 19.404 -9.311 2.867 1.00 0.00 C ATOM 502 CD PRO A 62 18.346 -10.380 2.903 1.00 0.00 C ATOM 0 HA PRO A 62 19.204 -10.219 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.450 -8.330 4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.840 -10.030 4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.969 -8.339 2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.145 -9.521 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.490 -10.118 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.726 -11.333 2.536 1.00 0.00 H new ATOM 510 N GLN A 63 18.810 -7.853 6.783 1.00 0.00 N ATOM 511 CA GLN A 63 18.288 -6.640 7.407 1.00 0.00 C ATOM 512 C GLN A 63 18.021 -5.554 6.367 1.00 0.00 C ATOM 513 O GLN A 63 17.088 -4.764 6.508 1.00 0.00 O ATOM 514 CB GLN A 63 19.272 -6.121 8.458 1.00 0.00 C ATOM 515 CG GLN A 63 18.711 -4.994 9.312 1.00 0.00 C ATOM 516 CD GLN A 63 18.717 -5.323 10.792 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.693 -5.705 11.359 1.00 0.00 O ATOM 518 NE2 GLN A 63 19.873 -5.174 11.427 1.00 0.00 N ATOM 0 H GLN A 63 19.643 -8.232 7.233 1.00 0.00 H new ATOM 0 HA GLN A 63 17.343 -6.891 7.889 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.566 -6.946 9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.175 -5.772 7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.296 -4.090 9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.690 -4.778 8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.697 -4.855 10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.937 -5.379 12.424 1.00 0.00 H new ATOM 527 N SER A 64 18.843 -5.523 5.323 1.00 0.00 N ATOM 528 CA SER A 64 18.690 -4.535 4.262 1.00 0.00 C ATOM 529 C SER A 64 17.311 -4.644 3.618 1.00 0.00 C ATOM 530 O SER A 64 16.622 -3.641 3.426 1.00 0.00 O ATOM 531 CB SER A 64 19.777 -4.719 3.201 1.00 0.00 C ATOM 532 OG SER A 64 19.863 -6.072 2.788 1.00 0.00 O ATOM 0 H SER A 64 19.620 -6.170 5.189 1.00 0.00 H new ATOM 0 HA SER A 64 18.791 -3.544 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.560 -4.086 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.738 -4.396 3.601 1.00 0.00 H new ATOM 0 HG SER A 64 20.563 -6.163 2.109 1.00 0.00 H new ATOM 538 N LEU A 65 16.913 -5.869 3.294 1.00 0.00 N ATOM 539 CA LEU A 65 15.614 -6.111 2.680 1.00 0.00 C ATOM 540 C LEU A 65 14.496 -5.920 3.698 1.00 0.00 C ATOM 541 O LEU A 65 13.424 -5.411 3.371 1.00 0.00 O ATOM 542 CB LEU A 65 15.556 -7.524 2.097 1.00 0.00 C ATOM 543 CG LEU A 65 14.651 -7.683 0.874 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.219 -7.304 1.217 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.166 -6.837 -0.282 1.00 0.00 C ATOM 0 H LEU A 65 17.471 -6.709 3.446 1.00 0.00 H new ATOM 0 HA LEU A 65 15.477 -5.391 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.566 -7.830 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.214 -8.208 2.874 1.00 0.00 H new ATOM 0 HG LEU A 65 14.665 -8.729 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.590 -7.423 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.853 -7.951 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.187 -6.266 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.511 -6.962 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.181 -5.788 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.175 -7.155 -0.544 1.00 0.00 H new ATOM 557 N ARG A 66 14.756 -6.328 4.936 1.00 0.00 N ATOM 558 CA ARG A 66 13.774 -6.197 6.005 1.00 0.00 C ATOM 559 C ARG A 66 13.412 -4.732 6.223 1.00 0.00 C ATOM 560 O ARG A 66 12.251 -4.395 6.453 1.00 0.00 O ATOM 561 CB ARG A 66 14.314 -6.806 7.301 1.00 0.00 C ATOM 562 CG ARG A 66 14.494 -8.314 7.232 1.00 0.00 C ATOM 563 CD ARG A 66 15.294 -8.836 8.415 1.00 0.00 C ATOM 564 NE ARG A 66 15.259 -10.294 8.500 1.00 0.00 N ATOM 565 CZ ARG A 66 16.148 -11.019 9.175 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.140 -10.427 9.827 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.044 -12.341 9.199 1.00 0.00 N ATOM 0 H ARG A 66 15.638 -6.752 5.223 1.00 0.00 H new ATOM 0 HA ARG A 66 12.873 -6.737 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.272 -6.344 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.633 -6.566 8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.517 -8.797 7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.001 -8.579 6.304 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.328 -8.503 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.898 -8.410 9.337 1.00 0.00 H new ATOM 0 HE ARG A 66 14.509 -10.785 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.225 -9.411 9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.818 -10.988 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.283 -12.802 8.700 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.725 -12.897 9.716 1.00 0.00 H new ATOM 581 N ASN A 67 14.414 -3.862 6.135 1.00 0.00 N ATOM 582 CA ASN A 67 14.197 -2.431 6.310 1.00 0.00 C ATOM 583 C ASN A 67 13.235 -1.911 5.249 1.00 0.00 C ATOM 584 O ASN A 67 12.358 -1.095 5.534 1.00 0.00 O ATOM 585 CB ASN A 67 15.525 -1.676 6.230 1.00 0.00 C ATOM 586 CG ASN A 67 16.389 -1.892 7.457 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.632 -2.306 7.240 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 15.944 -1.690 8.587 1.00 0.00 N flip ATOM 0 H ASN A 67 15.381 -4.123 5.944 1.00 0.00 H new ATOM 0 HA ASN A 67 13.760 -2.265 7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.071 -2.000 5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.327 -0.611 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.982 -1.372 8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.537 -1.841 9.403 1.00 0.00 H new ATOM 595 N ARG A 68 13.402 -2.400 4.024 1.00 0.00 N ATOM 596 CA ARG A 68 12.548 -2.000 2.915 1.00 0.00 C ATOM 597 C ARG A 68 11.104 -2.421 3.171 1.00 0.00 C ATOM 598 O ARG A 68 10.163 -1.750 2.747 1.00 0.00 O ATOM 599 CB ARG A 68 13.051 -2.627 1.613 1.00 0.00 C ATOM 600 CG ARG A 68 13.431 -1.610 0.551 1.00 0.00 C ATOM 601 CD ARG A 68 13.362 -2.214 -0.842 1.00 0.00 C ATOM 602 NE ARG A 68 13.381 -1.192 -1.885 1.00 0.00 N ATOM 603 CZ ARG A 68 13.012 -1.412 -3.145 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.597 -2.615 -3.522 1.00 0.00 N ATOM 605 NH2 ARG A 68 13.058 -0.426 -4.031 1.00 0.00 N ATOM 0 H ARG A 68 14.124 -3.076 3.776 1.00 0.00 H new ATOM 0 HA ARG A 68 12.583 -0.914 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.917 -3.251 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.278 -3.284 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.762 -0.751 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.439 -1.242 0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.203 -2.893 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.453 -2.809 -0.934 1.00 0.00 H new ATOM 0 HE ARG A 68 13.695 -0.255 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.560 -3.377 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.316 -2.778 -4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.376 0.501 -3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.775 -0.594 -4.996 1.00 0.00 H new ATOM 619 N TYR A 69 10.942 -3.542 3.868 1.00 0.00 N ATOM 620 CA TYR A 69 9.620 -4.069 4.187 1.00 0.00 C ATOM 621 C TYR A 69 8.776 -3.033 4.924 1.00 0.00 C ATOM 622 O TYR A 69 7.782 -2.536 4.394 1.00 0.00 O ATOM 623 CB TYR A 69 9.752 -5.334 5.038 1.00 0.00 C ATOM 624 CG TYR A 69 8.436 -6.015 5.332 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.514 -5.443 6.199 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.117 -7.232 4.745 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.311 -6.065 6.474 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.917 -7.861 5.013 1.00 0.00 C ATOM 629 CZ TYR A 69 6.017 -7.273 5.879 1.00 0.00 C ATOM 630 OH TYR A 69 4.821 -7.896 6.151 1.00 0.00 O ATOM 0 H TYR A 69 11.714 -4.105 4.224 1.00 0.00 H new ATOM 0 HA TYR A 69 9.118 -4.313 3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.407 -6.038 4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.235 -5.077 5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.741 -4.496 6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.819 -7.695 4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.605 -5.607 7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.684 -8.807 4.548 1.00 0.00 H new ATOM 0 HH TYR A 69 4.088 -7.389 5.744 1.00 0.00 H new ATOM 640 N ASN A 70 9.176 -2.716 6.151 1.00 0.00 N ATOM 641 CA ASN A 70 8.453 -1.743 6.963 1.00 0.00 C ATOM 642 C ASN A 70 8.513 -0.350 6.340 1.00 0.00 C ATOM 643 O ASN A 70 7.614 0.467 6.537 1.00 0.00 O ATOM 644 CB ASN A 70 9.026 -1.707 8.382 1.00 0.00 C ATOM 645 CG ASN A 70 8.148 -2.437 9.378 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.094 -1.940 9.775 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.579 -3.625 9.788 1.00 0.00 N ATOM 0 H ASN A 70 9.996 -3.118 6.605 1.00 0.00 H new ATOM 0 HA ASN A 70 7.409 -2.052 7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.020 -2.155 8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.144 -0.670 8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.030 -4.163 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.459 -3.999 9.433 1.00 0.00 H new ATOM 654 N ASN A 71 9.579 -0.085 5.593 1.00 0.00 N ATOM 655 CA ASN A 71 9.758 1.211 4.948 1.00 0.00 C ATOM 656 C ASN A 71 8.613 1.512 3.982 1.00 0.00 C ATOM 657 O ASN A 71 7.778 2.378 4.244 1.00 0.00 O ATOM 658 CB ASN A 71 11.093 1.250 4.201 1.00 0.00 C ATOM 659 CG ASN A 71 12.182 1.940 5.000 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.080 2.080 6.219 1.00 0.00 O ATOM 661 ND2 ASN A 71 13.232 2.376 4.314 1.00 0.00 N ATOM 0 H ASN A 71 10.332 -0.750 5.419 1.00 0.00 H new ATOM 0 HA ASN A 71 9.758 1.975 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.406 0.232 3.968 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.960 1.767 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.996 2.849 4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.274 2.238 3.304 1.00 0.00 H new ATOM 668 N LEU A 72 8.587 0.797 2.862 1.00 0.00 N ATOM 669 CA LEU A 72 7.552 0.993 1.851 1.00 0.00 C ATOM 670 C LEU A 72 6.154 0.909 2.458 1.00 0.00 C ATOM 671 O LEU A 72 5.255 1.657 2.073 1.00 0.00 O ATOM 672 CB LEU A 72 7.698 -0.041 0.732 1.00 0.00 C ATOM 673 CG LEU A 72 7.564 -1.501 1.173 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.098 -1.894 1.290 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.288 -2.418 0.198 1.00 0.00 C ATOM 0 H LEU A 72 9.271 0.076 2.631 1.00 0.00 H new ATOM 0 HA LEU A 72 7.681 1.993 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.945 0.162 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.672 0.092 0.261 1.00 0.00 H new ATOM 0 HG LEU A 72 8.025 -1.608 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.024 -2.935 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.608 -1.257 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.610 -1.772 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.183 -3.452 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.855 -2.307 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.345 -2.153 0.165 1.00 0.00 H new ATOM 687 N TYR A 73 5.971 -0.006 3.405 1.00 0.00 N ATOM 688 CA TYR A 73 4.675 -0.177 4.049 1.00 0.00 C ATOM 689 C TYR A 73 4.370 0.984 4.989 1.00 0.00 C ATOM 690 O TYR A 73 3.210 1.347 5.183 1.00 0.00 O ATOM 691 CB TYR A 73 4.621 -1.500 4.816 1.00 0.00 C ATOM 692 CG TYR A 73 3.217 -1.919 5.194 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.150 -1.703 4.329 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.957 -2.527 6.416 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.866 -2.079 4.671 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.674 -2.907 6.765 1.00 0.00 C ATOM 697 CZ TYR A 73 0.633 -2.681 5.889 1.00 0.00 C ATOM 698 OH TYR A 73 -0.645 -3.058 6.233 1.00 0.00 O ATOM 0 H TYR A 73 6.699 -0.636 3.741 1.00 0.00 H new ATOM 0 HA TYR A 73 3.917 -0.194 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.074 -2.283 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.222 -1.411 5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.329 -1.233 3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.770 -2.706 7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.049 -1.902 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.488 -3.378 7.719 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.637 -3.468 7.123 1.00 0.00 H new ATOM 708 N SER A 74 5.414 1.567 5.569 1.00 0.00 N ATOM 709 CA SER A 74 5.247 2.691 6.484 1.00 0.00 C ATOM 710 C SER A 74 4.476 3.821 5.811 1.00 0.00 C ATOM 711 O SER A 74 3.657 4.490 6.442 1.00 0.00 O ATOM 712 CB SER A 74 6.609 3.199 6.958 1.00 0.00 C ATOM 713 OG SER A 74 6.466 4.327 7.804 1.00 0.00 O ATOM 0 H SER A 74 6.382 1.281 5.422 1.00 0.00 H new ATOM 0 HA SER A 74 4.678 2.346 7.348 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.132 2.405 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.223 3.462 6.096 1.00 0.00 H new ATOM 0 HG SER A 74 7.351 4.632 8.095 1.00 0.00 H new ATOM 719 N HIS A 75 4.742 4.023 4.526 1.00 0.00 N ATOM 720 CA HIS A 75 4.072 5.068 3.761 1.00 0.00 C ATOM 721 C HIS A 75 2.668 4.629 3.355 1.00 0.00 C ATOM 722 O HIS A 75 1.775 5.457 3.181 1.00 0.00 O ATOM 723 CB HIS A 75 4.887 5.421 2.516 1.00 0.00 C ATOM 724 CG HIS A 75 6.347 5.609 2.790 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.882 6.798 3.242 1.00 0.00 N ATOM 726 CD2 HIS A 75 7.388 4.751 2.673 1.00 0.00 C ATOM 727 CE1 HIS A 75 8.188 6.662 3.390 1.00 0.00 C ATOM 728 NE2 HIS A 75 8.520 5.430 3.052 1.00 0.00 N ATOM 0 H HIS A 75 5.417 3.477 3.991 1.00 0.00 H new ATOM 0 HA HIS A 75 3.989 5.951 4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.763 4.631 1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.487 6.335 2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.337 3.724 2.343 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.868 7.429 3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.464 5.045 3.069 1.00 0.00 H new ATOM 737 N THR A 76 2.480 3.320 3.204 1.00 0.00 N ATOM 738 CA THR A 76 1.184 2.774 2.815 1.00 0.00 C ATOM 739 C THR A 76 0.192 2.830 3.972 1.00 0.00 C ATOM 740 O THR A 76 -0.985 3.134 3.779 1.00 0.00 O ATOM 741 CB THR A 76 1.336 1.329 2.342 1.00 0.00 C ATOM 742 OG1 THR A 76 2.386 1.217 1.399 1.00 0.00 O ATOM 743 CG2 THR A 76 0.079 0.777 1.703 1.00 0.00 C ATOM 0 H THR A 76 3.208 2.620 3.345 1.00 0.00 H new ATOM 0 HA THR A 76 0.799 3.384 1.998 1.00 0.00 H new ATOM 0 HB THR A 76 1.553 0.750 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.248 1.310 1.856 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.252 -0.252 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.738 0.803 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.184 1.382 0.835 1.00 0.00 H new ATOM 751 N GLN A 77 0.671 2.524 5.173 1.00 0.00 N ATOM 752 CA GLN A 77 -0.178 2.526 6.360 1.00 0.00 C ATOM 753 C GLN A 77 -0.616 3.941 6.732 1.00 0.00 C ATOM 754 O GLN A 77 -1.704 4.139 7.272 1.00 0.00 O ATOM 755 CB GLN A 77 0.560 1.886 7.537 1.00 0.00 C ATOM 756 CG GLN A 77 0.450 0.371 7.574 1.00 0.00 C ATOM 757 CD GLN A 77 -0.644 -0.112 8.505 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.576 0.627 8.823 1.00 0.00 O ATOM 759 NE2 GLN A 77 -0.536 -1.359 8.949 1.00 0.00 N ATOM 0 H GLN A 77 1.643 2.271 5.351 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.071 1.944 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.613 2.164 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.165 2.293 8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.255 -0.000 6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.404 -0.051 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.253 -1.937 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.242 -1.739 9.579 1.00 0.00 H new ATOM 768 N ARG A 78 0.239 4.919 6.452 1.00 0.00 N ATOM 769 CA ARG A 78 -0.064 6.311 6.772 1.00 0.00 C ATOM 770 C ARG A 78 -0.820 7.005 5.638 1.00 0.00 C ATOM 771 O ARG A 78 -1.301 8.126 5.802 1.00 0.00 O ATOM 772 CB ARG A 78 1.227 7.074 7.078 1.00 0.00 C ATOM 773 CG ARG A 78 2.122 7.269 5.865 1.00 0.00 C ATOM 774 CD ARG A 78 1.934 8.647 5.250 1.00 0.00 C ATOM 775 NE ARG A 78 2.764 8.834 4.063 1.00 0.00 N ATOM 776 CZ ARG A 78 4.065 9.113 4.104 1.00 0.00 C ATOM 777 NH1 ARG A 78 4.687 9.240 5.269 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.745 9.266 2.976 1.00 0.00 N ATOM 0 H ARG A 78 1.145 4.775 6.006 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.708 6.312 7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.973 8.050 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.783 6.537 7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.164 7.138 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.900 6.504 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.886 8.786 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.180 9.410 5.988 1.00 0.00 H new ATOM 0 HE ARG A 78 2.321 8.746 3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.168 9.124 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.684 9.454 5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.271 9.170 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.742 9.480 3.006 1.00 0.00 H new ATOM 792 N THR A 79 -0.919 6.344 4.488 1.00 0.00 N ATOM 793 CA THR A 79 -1.614 6.919 3.340 1.00 0.00 C ATOM 794 C THR A 79 -3.079 6.492 3.308 1.00 0.00 C ATOM 795 O THR A 79 -3.963 7.308 3.049 1.00 0.00 O ATOM 796 CB THR A 79 -0.924 6.513 2.038 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.512 5.159 2.089 1.00 0.00 O ATOM 798 CG2 THR A 79 0.294 7.353 1.718 1.00 0.00 C ATOM 0 H THR A 79 -0.529 5.415 4.326 1.00 0.00 H new ATOM 0 HA THR A 79 -1.577 8.004 3.440 1.00 0.00 H new ATOM 0 HB THR A 79 -1.668 6.670 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.448 5.116 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.735 7.012 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.000 8.398 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.025 7.255 2.521 1.00 0.00 H new ATOM 806 N LEU A 80 -3.333 5.212 3.569 1.00 0.00 N ATOM 807 CA LEU A 80 -4.699 4.691 3.564 1.00 0.00 C ATOM 808 C LEU A 80 -5.611 5.536 4.449 1.00 0.00 C ATOM 809 O LEU A 80 -6.821 5.596 4.230 1.00 0.00 O ATOM 810 CB LEU A 80 -4.723 3.232 4.029 1.00 0.00 C ATOM 811 CG LEU A 80 -3.898 2.258 3.179 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.065 1.346 4.067 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.807 1.438 2.277 1.00 0.00 C ATOM 0 H LEU A 80 -2.616 4.519 3.785 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.070 4.740 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.360 3.189 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.758 2.889 4.043 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.221 2.838 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.487 0.662 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.387 1.948 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.724 0.774 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.205 0.752 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.508 0.869 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.360 2.104 1.615 1.00 0.00 H new ATOM 825 N ASP A 81 -5.024 6.194 5.445 1.00 0.00 N ATOM 826 CA ASP A 81 -5.789 7.041 6.354 1.00 0.00 C ATOM 827 C ASP A 81 -6.414 8.209 5.600 1.00 0.00 C ATOM 828 O ASP A 81 -7.582 8.541 5.806 1.00 0.00 O ATOM 829 CB ASP A 81 -4.891 7.564 7.476 1.00 0.00 C ATOM 830 CG ASP A 81 -5.635 7.718 8.788 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.332 8.741 8.959 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.520 6.817 9.645 1.00 0.00 O ATOM 0 H ASP A 81 -4.024 6.157 5.642 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.587 6.441 6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.053 6.881 7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.473 8.527 7.184 1.00 0.00 H new ATOM 837 N MET A 82 -5.629 8.825 4.722 1.00 0.00 N ATOM 838 CA MET A 82 -6.103 9.954 3.929 1.00 0.00 C ATOM 839 C MET A 82 -7.148 9.501 2.915 1.00 0.00 C ATOM 840 O MET A 82 -8.017 10.275 2.516 1.00 0.00 O ATOM 841 CB MET A 82 -4.931 10.625 3.209 1.00 0.00 C ATOM 842 CG MET A 82 -3.914 11.249 4.152 1.00 0.00 C ATOM 843 SD MET A 82 -2.556 12.049 3.276 1.00 0.00 S ATOM 844 CE MET A 82 -1.903 10.673 2.335 1.00 0.00 C ATOM 0 H MET A 82 -4.660 8.561 4.541 1.00 0.00 H new ATOM 0 HA MET A 82 -6.565 10.675 4.603 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.429 9.887 2.584 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.318 11.396 2.543 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.414 11.981 4.786 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.513 10.478 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.840 10.559 2.547 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.428 9.760 2.614 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.043 10.861 1.271 1.00 0.00 H new ATOM 854 N ALA A 83 -7.057 8.240 2.503 1.00 0.00 N ATOM 855 CA ALA A 83 -7.994 7.681 1.537 1.00 0.00 C ATOM 856 C ALA A 83 -9.420 7.713 2.077 1.00 0.00 C ATOM 857 O ALA A 83 -10.333 8.213 1.418 1.00 0.00 O ATOM 858 CB ALA A 83 -7.594 6.258 1.178 1.00 0.00 C ATOM 0 H ALA A 83 -6.343 7.586 2.824 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.961 8.294 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.302 5.852 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.594 6.260 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.599 5.641 2.077 1.00 0.00 H new ATOM 864 N ASP A 84 -9.605 7.178 3.280 1.00 0.00 N ATOM 865 CA ASP A 84 -10.919 7.147 3.911 1.00 0.00 C ATOM 866 C ASP A 84 -11.158 8.414 4.728 1.00 0.00 C ATOM 867 O ASP A 84 -11.516 8.350 5.904 1.00 0.00 O ATOM 868 CB ASP A 84 -11.046 5.913 4.808 1.00 0.00 C ATOM 869 CG ASP A 84 -9.882 5.774 5.769 1.00 0.00 C ATOM 870 OD1 ASP A 84 -9.730 6.648 6.648 1.00 0.00 O ATOM 871 OD2 ASP A 84 -9.122 4.791 5.642 1.00 0.00 O ATOM 0 H ASP A 84 -8.860 6.760 3.837 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.674 7.095 3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.976 5.973 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.109 5.020 4.186 1.00 0.00 H new ATOM 876 N MET A 85 -10.948 9.566 4.098 1.00 0.00 N ATOM 877 CA MET A 85 -11.133 10.848 4.773 1.00 0.00 C ATOM 878 C MET A 85 -11.995 11.806 3.952 1.00 0.00 C ATOM 879 O MET A 85 -12.781 12.572 4.506 1.00 0.00 O ATOM 880 CB MET A 85 -9.775 11.492 5.061 1.00 0.00 C ATOM 881 CG MET A 85 -9.801 12.469 6.225 1.00 0.00 C ATOM 882 SD MET A 85 -9.534 11.662 7.815 1.00 0.00 S ATOM 883 CE MET A 85 -11.220 11.295 8.296 1.00 0.00 C ATOM 0 H MET A 85 -10.651 9.639 3.125 1.00 0.00 H new ATOM 0 HA MET A 85 -11.653 10.651 5.711 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.048 10.708 5.271 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.432 12.013 4.167 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.034 13.228 6.074 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.761 12.985 6.240 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.366 11.562 9.343 1.00 0.00 H new ATOM 0 HE2 MET A 85 -11.908 11.869 7.676 1.00 0.00 H new ATOM 0 HE3 MET A 85 -11.413 10.231 8.162 1.00 0.00 H new ATOM 893 N GLN A 86 -11.829 11.775 2.633 1.00 0.00 N ATOM 894 CA GLN A 86 -12.583 12.659 1.746 1.00 0.00 C ATOM 895 C GLN A 86 -14.046 12.233 1.610 1.00 0.00 C ATOM 896 O GLN A 86 -14.840 12.926 0.973 1.00 0.00 O ATOM 897 CB GLN A 86 -11.925 12.703 0.366 1.00 0.00 C ATOM 898 CG GLN A 86 -10.496 13.221 0.388 1.00 0.00 C ATOM 899 CD GLN A 86 -10.416 14.702 0.706 1.00 0.00 C ATOM 900 OE1 GLN A 86 -11.342 15.277 1.279 1.00 0.00 O ATOM 901 NE2 GLN A 86 -9.306 15.328 0.334 1.00 0.00 N ATOM 0 H GLN A 86 -11.181 11.149 2.154 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.571 13.653 2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.933 11.701 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.522 13.335 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.923 12.663 1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.032 13.036 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.564 14.812 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.196 16.325 0.521 1.00 0.00 H new ATOM 910 N HIS A 87 -14.404 11.098 2.203 1.00 0.00 N ATOM 911 CA HIS A 87 -15.776 10.602 2.131 1.00 0.00 C ATOM 912 C HIS A 87 -16.720 11.474 2.954 1.00 0.00 C ATOM 913 O HIS A 87 -17.203 11.062 4.006 1.00 0.00 O ATOM 914 CB HIS A 87 -15.843 9.153 2.613 1.00 0.00 C ATOM 915 CG HIS A 87 -14.973 8.229 1.823 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.636 8.043 2.095 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.251 7.443 0.756 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.128 7.186 1.231 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.086 6.804 0.407 1.00 0.00 N ATOM 0 H HIS A 87 -13.767 10.506 2.737 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.095 10.645 1.090 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.548 9.112 3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.875 8.806 2.558 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.119 8.497 2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.210 7.338 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.101 6.853 1.202 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.500 17.731 -0.627 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.988 17.363 -1.953 1.00 0.00 C ATOM 1112 C LEU A 101 -6.688 16.007 -1.915 1.00 0.00 C ATOM 1113 O LEU A 101 -6.433 15.192 -1.028 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.837 17.327 -2.964 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.707 18.330 -2.711 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.723 18.326 -3.871 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.270 19.727 -2.494 1.00 0.00 C ATOM 0 HA LEU A 101 -6.707 18.120 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.413 16.323 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.244 17.508 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.177 18.030 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.927 19.044 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.294 17.330 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.242 18.601 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.452 20.425 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.825 20.037 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.936 19.721 -1.631 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.585 15.748 -2.881 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.326 14.486 -2.954 1.00 0.00 C ATOM 1131 C PRO A 102 -7.472 13.339 -3.480 1.00 0.00 C ATOM 1132 O PRO A 102 -7.534 12.220 -2.971 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.452 14.805 -3.935 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.880 15.846 -4.832 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.952 16.668 -3.976 1.00 0.00 C ATOM 0 HA PRO A 102 -8.670 14.154 -1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.753 13.920 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.338 15.171 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.343 15.391 -5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.667 16.466 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.076 16.996 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.443 17.565 -3.599 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.678 13.623 -4.507 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.815 12.614 -5.109 1.00 0.00 C ATOM 1145 C HIS A 103 -4.570 12.358 -4.256 1.00 0.00 C ATOM 1146 O HIS A 103 -3.812 11.425 -4.522 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.408 13.041 -6.523 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.398 14.148 -6.556 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -4.696 15.450 -6.214 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.085 14.140 -6.890 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -3.612 16.195 -6.337 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.622 15.424 -6.745 1.00 0.00 N ATOM 0 H HIS A 103 -6.614 14.544 -4.940 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.379 11.683 -5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.003 12.177 -7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.298 13.358 -7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.510 13.284 -7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.547 17.254 -6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.666 15.733 -6.924 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.361 13.186 -3.233 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.205 13.037 -2.351 1.00 0.00 C ATOM 1163 C GLU A 104 -3.050 11.590 -1.891 1.00 0.00 C ATOM 1164 O GLU A 104 -2.003 10.973 -2.090 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.340 13.953 -1.133 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.806 15.357 -1.366 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.475 15.595 -0.681 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.475 14.971 -1.093 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.432 16.406 0.268 1.00 0.00 O ATOM 0 H GLU A 104 -4.975 13.965 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.316 13.320 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.391 14.015 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.809 13.506 -0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.695 15.526 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.533 16.083 -1.002 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.099 11.058 -1.276 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.083 9.684 -0.788 1.00 0.00 C ATOM 1178 C ASN A 105 -3.853 8.703 -1.932 1.00 0.00 C ATOM 1179 O ASN A 105 -2.969 7.853 -1.863 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.397 9.355 -0.077 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.612 9.829 -0.852 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.964 9.261 -1.885 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.259 10.876 -0.354 1.00 0.00 N ATOM 0 H ASN A 105 -4.972 11.557 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.261 9.588 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.464 8.278 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.397 9.816 0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.084 11.240 -0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.931 11.316 0.506 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.656 8.828 -2.982 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.545 7.950 -4.143 1.00 0.00 C ATOM 1192 C VAL A 106 -3.131 7.956 -4.719 1.00 0.00 C ATOM 1193 O VAL A 106 -2.497 6.908 -4.843 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.536 8.362 -5.247 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.534 7.345 -6.378 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -6.934 8.532 -4.674 1.00 0.00 C ATOM 0 H VAL A 106 -5.393 9.530 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.783 6.944 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.217 9.321 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.241 7.655 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.534 7.281 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.825 6.369 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.620 8.823 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.265 7.590 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.921 9.305 -3.905 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.644 9.142 -5.075 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.307 9.285 -5.646 1.00 0.00 C ATOM 1208 C ASP A 107 -0.253 8.609 -4.772 1.00 0.00 C ATOM 1209 O ASP A 107 0.578 7.846 -5.264 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.964 10.766 -5.825 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.108 11.222 -7.264 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -2.198 11.028 -7.842 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.131 11.773 -7.813 1.00 0.00 O ATOM 0 H ASP A 107 -3.156 10.019 -4.978 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.306 8.794 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.615 11.366 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.059 10.942 -5.491 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.291 8.895 -3.476 1.00 0.00 N ATOM 1219 CA ASP A 108 0.665 8.315 -2.539 1.00 0.00 C ATOM 1220 C ASP A 108 0.360 6.841 -2.290 1.00 0.00 C ATOM 1221 O ASP A 108 1.265 6.042 -2.045 1.00 0.00 O ATOM 1222 CB ASP A 108 0.642 9.082 -1.216 1.00 0.00 C ATOM 1223 CG ASP A 108 1.479 10.345 -1.266 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.173 11.228 -2.094 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.440 10.452 -0.475 1.00 0.00 O ATOM 0 H ASP A 108 -0.972 9.524 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 108 1.659 8.392 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.387 9.341 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.010 8.437 -0.418 1.00 0.00 H new ATOM 1230 N MET A 109 -0.919 6.488 -2.352 1.00 0.00 N ATOM 1231 CA MET A 109 -1.341 5.111 -2.130 1.00 0.00 C ATOM 1232 C MET A 109 -0.906 4.216 -3.284 1.00 0.00 C ATOM 1233 O MET A 109 -0.189 3.236 -3.085 1.00 0.00 O ATOM 1234 CB MET A 109 -2.856 5.043 -1.947 1.00 0.00 C ATOM 1235 CG MET A 109 -3.302 5.322 -0.520 1.00 0.00 C ATOM 1236 SD MET A 109 -4.608 4.210 0.029 1.00 0.00 S ATOM 1237 CE MET A 109 -5.890 4.593 -1.157 1.00 0.00 C ATOM 0 H MET A 109 -1.681 7.136 -2.554 1.00 0.00 H new ATOM 0 HA MET A 109 -0.861 4.750 -1.220 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.329 5.763 -2.615 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.207 4.055 -2.243 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.446 5.229 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.653 6.352 -0.448 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.863 4.545 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.732 5.596 -1.553 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.858 3.872 -1.973 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.332 4.563 -4.495 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.968 3.788 -5.676 1.00 0.00 C ATOM 1249 C ARG A 110 0.549 3.633 -5.764 1.00 0.00 C ATOM 1250 O ARG A 110 1.055 2.673 -6.347 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.503 4.459 -6.943 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.877 5.814 -7.227 1.00 0.00 C ATOM 1253 CD ARG A 110 0.319 5.694 -8.158 1.00 0.00 C ATOM 1254 NE ARG A 110 0.251 6.646 -9.264 1.00 0.00 N ATOM 1255 CZ ARG A 110 0.575 7.933 -9.155 1.00 0.00 C ATOM 1256 NH1 ARG A 110 0.992 8.424 -7.995 1.00 0.00 N ATOM 1257 NH2 ARG A 110 0.483 8.730 -10.211 1.00 0.00 N ATOM 0 H ARG A 110 -1.926 5.371 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.417 2.799 -5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.326 3.801 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.583 4.579 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.622 6.473 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.565 6.275 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.236 5.860 -7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.369 4.680 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.063 6.305 -10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.066 7.815 -7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.239 9.411 -7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.164 8.357 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.731 9.716 -10.129 1.00 0.00 H new ATOM 1271 N SER A 111 1.268 4.580 -5.167 1.00 0.00 N ATOM 1272 CA SER A 111 2.723 4.545 -5.163 1.00 0.00 C ATOM 1273 C SER A 111 3.217 3.363 -4.340 1.00 0.00 C ATOM 1274 O SER A 111 4.191 2.703 -4.702 1.00 0.00 O ATOM 1275 CB SER A 111 3.288 5.850 -4.600 1.00 0.00 C ATOM 1276 OG SER A 111 3.555 6.780 -5.635 1.00 0.00 O ATOM 0 H SER A 111 0.864 5.380 -4.680 1.00 0.00 H new ATOM 0 HA SER A 111 3.070 4.430 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.579 6.282 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.204 5.644 -4.047 1.00 0.00 H new ATOM 0 HG SER A 111 2.759 7.328 -5.795 1.00 0.00 H new ATOM 1282 N ALA A 112 2.529 3.096 -3.233 1.00 0.00 N ATOM 1283 CA ALA A 112 2.890 1.985 -2.362 1.00 0.00 C ATOM 1284 C ALA A 112 2.885 0.673 -3.137 1.00 0.00 C ATOM 1285 O ALA A 112 3.726 -0.196 -2.911 1.00 0.00 O ATOM 1286 CB ALA A 112 1.939 1.908 -1.177 1.00 0.00 C ATOM 0 H ALA A 112 1.721 3.633 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 112 3.898 2.157 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.223 1.073 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.991 2.836 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.921 1.760 -1.537 1.00 0.00 H new ATOM 1292 N ILE A 113 1.936 0.540 -4.061 1.00 0.00 N ATOM 1293 CA ILE A 113 1.834 -0.664 -4.873 1.00 0.00 C ATOM 1294 C ILE A 113 3.044 -0.789 -5.795 1.00 0.00 C ATOM 1295 O ILE A 113 3.488 -1.893 -6.107 1.00 0.00 O ATOM 1296 CB ILE A 113 0.526 -0.686 -5.703 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.064 -2.097 -5.722 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.757 -0.188 -7.126 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.772 -2.473 -4.439 1.00 0.00 C ATOM 0 H ILE A 113 1.231 1.249 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 113 1.812 -1.517 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.183 -0.009 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.766 -2.177 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.735 -2.814 -5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.182 -0.217 -7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.129 0.836 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.489 -0.826 -7.621 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.165 -3.486 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.069 -2.425 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.593 -1.779 -4.260 1.00 0.00 H new ATOM 1311 N THR A 114 3.580 0.353 -6.219 1.00 0.00 N ATOM 1312 CA THR A 114 4.747 0.365 -7.093 1.00 0.00 C ATOM 1313 C THR A 114 5.895 -0.403 -6.447 1.00 0.00 C ATOM 1314 O THR A 114 6.636 -1.120 -7.119 1.00 0.00 O ATOM 1315 CB THR A 114 5.178 1.802 -7.391 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.109 2.540 -7.956 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.350 1.889 -8.344 1.00 0.00 C ATOM 0 H THR A 114 3.226 1.277 -5.972 1.00 0.00 H new ATOM 0 HA THR A 114 4.481 -0.120 -8.032 1.00 0.00 H new ATOM 0 HB THR A 114 5.480 2.218 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.404 3.457 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.605 2.935 -8.513 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.208 1.371 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.083 1.423 -9.293 1.00 0.00 H new ATOM 1325 N ASP A 115 6.022 -0.254 -5.132 1.00 0.00 N ATOM 1326 CA ASP A 115 7.064 -0.940 -4.380 1.00 0.00 C ATOM 1327 C ASP A 115 6.607 -2.347 -4.010 1.00 0.00 C ATOM 1328 O ASP A 115 7.344 -3.317 -4.182 1.00 0.00 O ATOM 1329 CB ASP A 115 7.417 -0.152 -3.117 1.00 0.00 C ATOM 1330 CG ASP A 115 8.914 -0.026 -2.915 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.505 -0.920 -2.274 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.496 0.969 -3.397 1.00 0.00 O ATOM 0 H ASP A 115 5.414 0.337 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 115 7.953 -1.012 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.976 0.843 -3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.976 -0.644 -2.250 1.00 0.00 H new ATOM 1337 N TRP A 116 5.378 -2.449 -3.507 1.00 0.00 N ATOM 1338 CA TRP A 116 4.813 -3.736 -3.121 1.00 0.00 C ATOM 1339 C TRP A 116 4.797 -4.690 -4.310 1.00 0.00 C ATOM 1340 O TRP A 116 5.299 -5.811 -4.227 1.00 0.00 O ATOM 1341 CB TRP A 116 3.394 -3.552 -2.581 1.00 0.00 C ATOM 1342 CG TRP A 116 3.348 -3.339 -1.100 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.402 -2.145 -0.442 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.241 -4.350 -0.092 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.335 -2.350 0.914 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.236 -3.696 1.154 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.148 -5.744 -0.123 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.142 -4.390 2.358 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.055 -6.431 1.073 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.052 -5.754 2.299 1.00 0.00 C ATOM 0 H TRP A 116 4.756 -1.654 -3.358 1.00 0.00 H new ATOM 0 HA TRP A 116 5.437 -4.164 -2.337 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.931 -2.700 -3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.800 -4.430 -2.834 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.485 -1.179 -0.918 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.356 -1.620 1.626 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.149 -6.275 -1.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.140 -3.870 3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.983 -7.509 1.062 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.977 -6.320 3.216 1.00 0.00 H new ATOM 1361 N SER A 117 4.224 -4.231 -5.419 1.00 0.00 N ATOM 1362 CA SER A 117 4.151 -5.036 -6.633 1.00 0.00 C ATOM 1363 C SER A 117 5.540 -5.518 -7.037 1.00 0.00 C ATOM 1364 O SER A 117 5.740 -6.696 -7.335 1.00 0.00 O ATOM 1365 CB SER A 117 3.527 -4.226 -7.770 1.00 0.00 C ATOM 1366 OG SER A 117 3.126 -5.069 -8.837 1.00 0.00 O ATOM 0 H SER A 117 3.803 -3.305 -5.501 1.00 0.00 H new ATOM 0 HA SER A 117 3.524 -5.905 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.666 -3.673 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.245 -3.491 -8.133 1.00 0.00 H new ATOM 0 HG SER A 117 2.729 -4.527 -9.550 1.00 0.00 H new ATOM 1372 N ASP A 118 6.498 -4.596 -7.032 1.00 0.00 N ATOM 1373 CA ASP A 118 7.874 -4.922 -7.386 1.00 0.00 C ATOM 1374 C ASP A 118 8.434 -5.970 -6.432 1.00 0.00 C ATOM 1375 O ASP A 118 9.246 -6.809 -6.821 1.00 0.00 O ATOM 1376 CB ASP A 118 8.744 -3.664 -7.348 1.00 0.00 C ATOM 1377 CG ASP A 118 10.107 -3.885 -7.974 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.171 -4.513 -9.051 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.111 -3.429 -7.386 1.00 0.00 O ATOM 0 H ASP A 118 6.346 -3.618 -6.787 1.00 0.00 H new ATOM 0 HA ASP A 118 7.883 -5.327 -8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.233 -2.856 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.870 -3.344 -6.314 1.00 0.00 H new ATOM 1384 N MET A 119 7.988 -5.916 -5.181 1.00 0.00 N ATOM 1385 CA MET A 119 8.436 -6.860 -4.167 1.00 0.00 C ATOM 1386 C MET A 119 7.905 -8.258 -4.463 1.00 0.00 C ATOM 1387 O MET A 119 8.605 -9.251 -4.272 1.00 0.00 O ATOM 1388 CB MET A 119 7.977 -6.410 -2.780 1.00 0.00 C ATOM 1389 CG MET A 119 8.881 -6.887 -1.655 1.00 0.00 C ATOM 1390 SD MET A 119 8.551 -6.046 -0.095 1.00 0.00 S ATOM 1391 CE MET A 119 10.091 -6.329 0.775 1.00 0.00 C ATOM 0 H MET A 119 7.315 -5.226 -4.846 1.00 0.00 H new ATOM 0 HA MET A 119 9.525 -6.889 -4.186 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.928 -5.321 -2.758 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.966 -6.778 -2.604 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.750 -7.961 -1.519 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.921 -6.726 -1.937 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.993 -5.993 1.807 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.327 -7.393 0.760 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.892 -5.773 0.288 1.00 0.00 H new ATOM 1401 N ARG A 120 6.664 -8.327 -4.936 1.00 0.00 N ATOM 1402 CA ARG A 120 6.041 -9.606 -5.263 1.00 0.00 C ATOM 1403 C ARG A 120 6.916 -10.401 -6.228 1.00 0.00 C ATOM 1404 O ARG A 120 7.046 -11.619 -6.106 1.00 0.00 O ATOM 1405 CB ARG A 120 4.657 -9.381 -5.877 1.00 0.00 C ATOM 1406 CG ARG A 120 3.872 -10.664 -6.094 1.00 0.00 C ATOM 1407 CD ARG A 120 2.696 -10.444 -7.031 1.00 0.00 C ATOM 1408 NE ARG A 120 1.655 -11.454 -6.851 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.779 -12.723 -7.231 1.00 0.00 C ATOM 1410 NH1 ARG A 120 2.897 -13.144 -7.810 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.783 -13.575 -7.030 1.00 0.00 N ATOM 0 H ARG A 120 6.071 -7.514 -5.101 1.00 0.00 H new ATOM 0 HA ARG A 120 5.932 -10.178 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.084 -8.720 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.771 -8.869 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.530 -11.429 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.511 -11.037 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.274 -9.454 -6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.046 -10.464 -8.063 1.00 0.00 H new ATOM 0 HE ARG A 120 0.782 -11.169 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.667 -12.493 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.986 -14.118 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.078 -13.257 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.878 -14.548 -7.321 1.00 0.00 H new ATOM 1425 N GLU A 121 7.518 -9.699 -7.183 1.00 0.00 N ATOM 1426 CA GLU A 121 8.386 -10.335 -8.167 1.00 0.00 C ATOM 1427 C GLU A 121 9.796 -10.513 -7.611 1.00 0.00 C ATOM 1428 O GLU A 121 10.480 -11.487 -7.925 1.00 0.00 O ATOM 1429 CB GLU A 121 8.429 -9.504 -9.451 1.00 0.00 C ATOM 1430 CG GLU A 121 7.498 -10.016 -10.538 1.00 0.00 C ATOM 1431 CD GLU A 121 6.042 -9.707 -10.251 1.00 0.00 C ATOM 1432 OE1 GLU A 121 5.764 -8.628 -9.686 1.00 0.00 O ATOM 1433 OE2 GLU A 121 5.179 -10.544 -10.592 1.00 0.00 O ATOM 0 H GLU A 121 7.421 -8.690 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 121 7.979 -11.320 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.167 -8.473 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.450 -9.494 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.779 -9.570 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.624 -11.094 -10.641 1.00 0.00 H new ATOM 1440 N ALA A 122 10.225 -9.565 -6.783 1.00 0.00 N ATOM 1441 CA ALA A 122 11.553 -9.615 -6.183 1.00 0.00 C ATOM 1442 C ALA A 122 11.634 -10.704 -5.118 1.00 0.00 C ATOM 1443 O ALA A 122 12.446 -11.624 -5.217 1.00 0.00 O ATOM 1444 CB ALA A 122 11.913 -8.263 -5.585 1.00 0.00 C ATOM 0 H ALA A 122 9.671 -8.752 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 122 12.270 -9.856 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.907 -8.315 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.905 -7.505 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.186 -7.999 -4.817 1.00 0.00 H new ATOM 1450 N LEU A 123 10.786 -10.593 -4.099 1.00 0.00 N ATOM 1451 CA LEU A 123 10.758 -11.568 -3.013 1.00 0.00 C ATOM 1452 C LEU A 123 10.596 -12.986 -3.555 1.00 0.00 C ATOM 1453 O LEU A 123 11.268 -13.914 -3.106 1.00 0.00 O ATOM 1454 CB LEU A 123 9.619 -11.245 -2.040 1.00 0.00 C ATOM 1455 CG LEU A 123 10.060 -10.874 -0.623 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.079 -9.746 -0.657 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.857 -10.484 0.223 1.00 0.00 C ATOM 0 H LEU A 123 10.108 -9.837 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 123 11.708 -11.511 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.035 -10.421 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.955 -12.108 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 123 10.532 -11.746 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.380 -9.497 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.953 -10.062 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.636 -8.869 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.188 -10.223 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.357 -9.627 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.162 -11.322 0.276 1.00 0.00 H new ATOM 1469 N GLN A 124 9.700 -13.144 -4.524 1.00 0.00 N ATOM 1470 CA GLN A 124 9.449 -14.448 -5.129 1.00 0.00 C ATOM 1471 C GLN A 124 10.724 -15.018 -5.742 1.00 0.00 C ATOM 1472 O GLN A 124 11.024 -16.202 -5.588 1.00 0.00 O ATOM 1473 CB GLN A 124 8.360 -14.337 -6.197 1.00 0.00 C ATOM 1474 CG GLN A 124 6.958 -14.584 -5.665 1.00 0.00 C ATOM 1475 CD GLN A 124 6.017 -15.117 -6.728 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.543 -16.250 -6.643 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.741 -14.300 -7.738 1.00 0.00 N ATOM 0 H GLN A 124 9.136 -12.386 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 124 9.111 -15.125 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.400 -13.343 -6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.569 -15.052 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.006 -15.294 -4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.557 -13.654 -5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.156 -13.369 -7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.114 -14.604 -8.483 1.00 0.00 H new ATOM 1486 N HIS A 125 11.472 -14.167 -6.437 1.00 0.00 N ATOM 1487 CA HIS A 125 12.715 -14.585 -7.074 1.00 0.00 C ATOM 1488 C HIS A 125 13.771 -14.929 -6.028 1.00 0.00 C ATOM 1489 O HIS A 125 14.380 -15.997 -6.075 1.00 0.00 O ATOM 1490 CB HIS A 125 13.234 -13.484 -8.001 1.00 0.00 C ATOM 1491 CG HIS A 125 12.819 -13.661 -9.429 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.702 -13.058 -9.969 1.00 0.00 N ATOM 1493 CD2 HIS A 125 13.379 -14.378 -10.432 1.00 0.00 C ATOM 1494 CE1 HIS A 125 11.592 -13.398 -11.241 1.00 0.00 C ATOM 1495 NE2 HIS A 125 12.597 -14.197 -11.546 1.00 0.00 N ATOM 0 H HIS A 125 11.239 -13.183 -6.573 1.00 0.00 H new ATOM 0 HA HIS A 125 12.511 -15.478 -7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.874 -12.519 -7.643 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.322 -13.458 -7.948 1.00 0.00 H new ATOM 0 HD1 HIS A 125 11.061 -12.445 -9.465 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.274 -14.980 -10.368 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.813 -13.077 -11.916 1.00 0.00 H new ATOM 1504 N ALA A 126 13.981 -14.016 -5.084 1.00 0.00 N ATOM 1505 CA ALA A 126 14.963 -14.223 -4.026 1.00 0.00 C ATOM 1506 C ALA A 126 14.650 -15.482 -3.225 1.00 0.00 C ATOM 1507 O ALA A 126 15.544 -16.268 -2.911 1.00 0.00 O ATOM 1508 CB ALA A 126 15.011 -13.011 -3.108 1.00 0.00 C ATOM 0 H ALA A 126 13.484 -13.127 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 126 15.940 -14.353 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.748 -13.178 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.289 -12.129 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.030 -12.856 -2.658 1.00 0.00 H new ATOM 1514 N MET A 127 13.375 -15.668 -2.897 1.00 0.00 N ATOM 1515 CA MET A 127 12.943 -16.833 -2.132 1.00 0.00 C ATOM 1516 C MET A 127 13.342 -18.127 -2.835 1.00 0.00 C ATOM 1517 O MET A 127 13.711 -19.108 -2.188 1.00 0.00 O ATOM 1518 CB MET A 127 11.427 -16.799 -1.923 1.00 0.00 C ATOM 1519 CG MET A 127 10.973 -17.497 -0.652 1.00 0.00 C ATOM 1520 SD MET A 127 9.222 -17.928 -0.682 1.00 0.00 S ATOM 1521 CE MET A 127 8.471 -16.302 -0.695 1.00 0.00 C ATOM 0 H MET A 127 12.623 -15.027 -3.149 1.00 0.00 H new ATOM 0 HA MET A 127 13.438 -16.802 -1.161 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.095 -15.761 -1.896 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.940 -17.267 -2.779 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.563 -18.402 -0.509 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.169 -16.850 0.203 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.400 -16.395 -0.517 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.917 -15.689 0.088 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.639 -15.832 -1.664 1.00 0.00 H new ATOM 1531 N GLY A 128 13.267 -18.123 -4.162 1.00 0.00 N ATOM 1532 CA GLY A 128 13.626 -19.303 -4.928 1.00 0.00 C ATOM 1533 C GLY A 128 12.608 -19.634 -6.001 1.00 0.00 C ATOM 1534 O GLY A 128 12.252 -20.797 -6.190 1.00 0.00 O ATOM 0 H GLY A 128 12.964 -17.325 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.600 -19.148 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.726 -20.153 -4.253 1.00 0.00 H new ATOM 1538 N ILE A 129 12.139 -18.611 -6.708 1.00 0.00 N ATOM 1539 CA ILE A 129 11.157 -18.802 -7.769 1.00 0.00 C ATOM 1540 C ILE A 129 11.620 -18.151 -9.068 1.00 0.00 C ATOM 1541 O ILE A 129 12.432 -17.225 -9.055 1.00 0.00 O ATOM 1542 CB ILE A 129 9.784 -18.223 -7.379 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.382 -18.698 -5.982 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.731 -18.623 -8.403 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.164 -17.991 -5.430 1.00 0.00 C ATOM 0 H ILE A 129 12.423 -17.642 -6.565 1.00 0.00 H new ATOM 0 HA ILE A 129 11.058 -19.877 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 129 9.856 -17.135 -7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.186 -19.770 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.219 -18.547 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.766 -18.207 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.013 -18.239 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.659 -19.710 -8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.937 -18.379 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.362 -16.921 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.313 -18.163 -6.090 1.00 0.00 H new