USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 29 GLN : amide:sc= -3.59 K(o=-3.6,f=-4.2!) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -1.34 F(o=-2.1,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.62 X(o=-0.62,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= -0.2 K(o=-0.2,f=-2.1!) USER MOD Single : A 24 SER OG : rot 79:sc= 0.0315 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 153:sc= -0.471 USER MOD Single : A 39 CYS SG : rot 61:sc= -2.44 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 36:sc= 1.25 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 54 MET CE :methyl 171:sc= -3.71 (180deg=-3.84) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -148:sc= -0.0274 USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= -0.0499 (180deg=-0.288) USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -103:sc= -0.43 (180deg=-1.57!) USER MOD Single : A 78 ASN : amide:sc= -0.505 K(o=-0.51,f=-9.1!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.346 USER MOD Single : A 83 ASN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 15:sc= -0.849 USER MOD Single : A 90 CYS SG : rot 100:sc= -0.991 USER MOD Single : A 91 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.24) USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= -0.215 (180deg=-1.02) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -151:sc= 0.342 (180deg=0.0771) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 112 SER OG : rot 42:sc= 0.777 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.575 -10.447 -17.241 1.00 0.00 N ATOM 2 CA GLY A 1 -9.122 -11.325 -16.128 1.00 0.00 C ATOM 3 C GLY A 1 -10.043 -12.510 -15.911 1.00 0.00 C ATOM 4 O GLY A 1 -10.228 -13.333 -16.808 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.912 -9.653 -17.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.605 -10.994 -18.125 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.524 -10.079 -17.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.116 -11.685 -16.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.064 -10.741 -15.209 1.00 0.00 H new ATOM 10 N SER A 2 -10.621 -12.597 -14.718 1.00 0.00 N ATOM 11 CA SER A 2 -11.528 -13.689 -14.385 1.00 0.00 C ATOM 12 C SER A 2 -10.817 -15.035 -14.485 1.00 0.00 C ATOM 13 O SER A 2 -9.709 -15.125 -15.014 1.00 0.00 O ATOM 14 CB SER A 2 -12.744 -13.670 -15.314 1.00 0.00 C ATOM 15 OG SER A 2 -13.742 -14.569 -14.865 1.00 0.00 O ATOM 0 H SER A 2 -10.477 -11.924 -13.965 1.00 0.00 H new ATOM 0 HA SER A 2 -11.863 -13.551 -13.357 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.154 -12.661 -15.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.437 -13.937 -16.325 1.00 0.00 H new ATOM 0 HG SER A 2 -14.509 -14.537 -15.474 1.00 0.00 H new ATOM 21 N SER A 3 -11.464 -16.078 -13.975 1.00 0.00 N ATOM 22 CA SER A 3 -10.894 -17.421 -14.008 1.00 0.00 C ATOM 23 C SER A 3 -11.956 -18.454 -14.367 1.00 0.00 C ATOM 24 O SER A 3 -13.077 -18.104 -14.737 1.00 0.00 O ATOM 25 CB SER A 3 -10.270 -17.765 -12.654 1.00 0.00 C ATOM 26 OG SER A 3 -11.265 -17.921 -11.657 1.00 0.00 O ATOM 0 H SER A 3 -12.382 -16.020 -13.534 1.00 0.00 H new ATOM 0 HA SER A 3 -10.119 -17.441 -14.774 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.691 -18.684 -12.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.576 -16.977 -12.359 1.00 0.00 H new ATOM 0 HG SER A 3 -10.840 -18.142 -10.802 1.00 0.00 H new ATOM 32 N GLY A 4 -11.595 -19.728 -14.257 1.00 0.00 N ATOM 33 CA GLY A 4 -12.529 -20.793 -14.574 1.00 0.00 C ATOM 34 C GLY A 4 -12.000 -22.162 -14.194 1.00 0.00 C ATOM 35 O GLY A 4 -10.798 -22.416 -14.280 1.00 0.00 O ATOM 0 H GLY A 4 -10.673 -20.042 -13.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.470 -20.613 -14.054 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.747 -20.775 -15.642 1.00 0.00 H new ATOM 39 N SER A 5 -12.898 -23.044 -13.770 1.00 0.00 N ATOM 40 CA SER A 5 -12.516 -24.394 -13.373 1.00 0.00 C ATOM 41 C SER A 5 -12.032 -25.198 -14.575 1.00 0.00 C ATOM 42 O SER A 5 -10.851 -25.527 -14.680 1.00 0.00 O ATOM 43 CB SER A 5 -13.696 -25.107 -12.711 1.00 0.00 C ATOM 44 OG SER A 5 -13.338 -26.416 -12.303 1.00 0.00 O ATOM 0 H SER A 5 -13.896 -22.848 -13.692 1.00 0.00 H new ATOM 0 HA SER A 5 -11.698 -24.317 -12.656 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.034 -24.533 -11.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.533 -25.156 -13.408 1.00 0.00 H new ATOM 0 HG SER A 5 -14.109 -26.850 -11.881 1.00 0.00 H new ATOM 50 N SER A 6 -12.952 -25.511 -15.482 1.00 0.00 N ATOM 51 CA SER A 6 -12.619 -26.275 -16.678 1.00 0.00 C ATOM 52 C SER A 6 -12.503 -25.361 -17.893 1.00 0.00 C ATOM 53 O SER A 6 -13.418 -25.279 -18.712 1.00 0.00 O ATOM 54 CB SER A 6 -13.677 -27.350 -16.933 1.00 0.00 C ATOM 55 OG SER A 6 -13.097 -28.513 -17.496 1.00 0.00 O ATOM 0 H SER A 6 -13.935 -25.247 -15.411 1.00 0.00 H new ATOM 0 HA SER A 6 -11.655 -26.756 -16.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.174 -27.604 -15.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.442 -26.960 -17.604 1.00 0.00 H new ATOM 0 HG SER A 6 -13.794 -29.185 -17.648 1.00 0.00 H new ATOM 61 N GLY A 7 -11.370 -24.674 -18.004 1.00 0.00 N ATOM 62 CA GLY A 7 -11.155 -23.774 -19.122 1.00 0.00 C ATOM 63 C GLY A 7 -9.691 -23.429 -19.316 1.00 0.00 C ATOM 64 O GLY A 7 -8.966 -23.203 -18.348 1.00 0.00 O ATOM 0 H GLY A 7 -10.598 -24.725 -17.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.541 -24.232 -20.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.723 -22.858 -18.961 1.00 0.00 H new ATOM 68 N ASN A 8 -9.255 -23.390 -20.571 1.00 0.00 N ATOM 69 CA ASN A 8 -7.869 -23.072 -20.890 1.00 0.00 C ATOM 70 C ASN A 8 -6.920 -24.086 -20.258 1.00 0.00 C ATOM 71 O ASN A 8 -6.429 -23.883 -19.146 1.00 0.00 O ATOM 72 CB ASN A 8 -7.526 -21.660 -20.408 1.00 0.00 C ATOM 73 CG ASN A 8 -6.848 -20.832 -21.483 1.00 0.00 C ATOM 74 OD1 ASN A 8 -5.877 -21.428 -22.165 1.00 0.00 O flip ATOM 75 ND2 ASN A 8 -7.192 -19.670 -21.697 1.00 0.00 N flip ATOM 0 H ASN A 8 -9.843 -23.575 -21.384 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.749 -23.117 -21.972 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.438 -21.157 -20.087 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.874 -21.725 -19.537 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.943 -19.251 -21.149 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.726 -19.125 -22.423 1.00 0.00 H new ATOM 82 N GLU A 9 -6.666 -25.177 -20.973 1.00 0.00 N ATOM 83 CA GLU A 9 -5.775 -26.222 -20.482 1.00 0.00 C ATOM 84 C GLU A 9 -4.315 -25.817 -20.649 1.00 0.00 C ATOM 85 O GLU A 9 -3.464 -26.173 -19.834 1.00 0.00 O ATOM 86 CB GLU A 9 -6.040 -27.535 -21.223 1.00 0.00 C ATOM 87 CG GLU A 9 -5.968 -27.406 -22.735 1.00 0.00 C ATOM 88 CD GLU A 9 -5.951 -28.750 -23.435 1.00 0.00 C ATOM 89 OE1 GLU A 9 -7.036 -29.347 -23.601 1.00 0.00 O ATOM 90 OE2 GLU A 9 -4.853 -29.207 -23.816 1.00 0.00 O ATOM 0 H GLU A 9 -7.064 -25.360 -21.894 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.973 -26.364 -19.420 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.315 -28.280 -20.895 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.026 -27.907 -20.945 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.822 -26.828 -23.088 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.072 -26.848 -23.006 1.00 0.00 H new ATOM 97 N GLU A 10 -4.031 -25.069 -21.711 1.00 0.00 N ATOM 98 CA GLU A 10 -2.673 -24.615 -21.985 1.00 0.00 C ATOM 99 C GLU A 10 -2.220 -23.597 -20.943 1.00 0.00 C ATOM 100 O GLU A 10 -1.048 -23.562 -20.565 1.00 0.00 O ATOM 101 CB GLU A 10 -2.591 -24.000 -23.384 1.00 0.00 C ATOM 102 CG GLU A 10 -2.589 -25.030 -24.502 1.00 0.00 C ATOM 103 CD GLU A 10 -1.848 -24.550 -25.735 1.00 0.00 C ATOM 104 OE1 GLU A 10 -1.858 -23.328 -25.994 1.00 0.00 O ATOM 105 OE2 GLU A 10 -1.262 -25.395 -26.442 1.00 0.00 O ATOM 0 H GLU A 10 -4.723 -24.765 -22.395 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.010 -25.479 -21.936 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.435 -23.325 -23.525 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.685 -23.398 -23.455 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.130 -25.951 -24.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.617 -25.271 -24.771 1.00 0.00 H new ATOM 112 N LEU A 11 -3.156 -22.774 -20.481 1.00 0.00 N ATOM 113 CA LEU A 11 -2.853 -21.756 -19.481 1.00 0.00 C ATOM 114 C LEU A 11 -2.455 -22.397 -18.154 1.00 0.00 C ATOM 115 O LEU A 11 -1.718 -21.807 -17.365 1.00 0.00 O ATOM 116 CB LEU A 11 -4.059 -20.835 -19.282 1.00 0.00 C ATOM 117 CG LEU A 11 -3.799 -19.358 -19.580 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.584 -19.145 -21.071 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.952 -18.502 -19.079 1.00 0.00 C ATOM 0 H LEU A 11 -4.130 -22.792 -20.783 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.011 -21.165 -19.841 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.871 -21.182 -19.921 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.402 -20.928 -18.252 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.893 -19.055 -19.055 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.400 -18.088 -21.265 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.725 -19.729 -21.402 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.472 -19.465 -21.616 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.750 -17.454 -19.300 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.873 -18.806 -19.576 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.060 -18.632 -18.002 1.00 0.00 H new ATOM 131 N ARG A 12 -2.950 -23.608 -17.913 1.00 0.00 N ATOM 132 CA ARG A 12 -2.646 -24.328 -16.679 1.00 0.00 C ATOM 133 C ARG A 12 -1.139 -24.482 -16.494 1.00 0.00 C ATOM 134 O ARG A 12 -0.642 -24.514 -15.368 1.00 0.00 O ATOM 135 CB ARG A 12 -3.317 -25.704 -16.690 1.00 0.00 C ATOM 136 CG ARG A 12 -4.112 -26.003 -15.431 1.00 0.00 C ATOM 137 CD ARG A 12 -5.600 -25.776 -15.643 1.00 0.00 C ATOM 138 NE ARG A 12 -6.378 -26.082 -14.445 1.00 0.00 N ATOM 139 CZ ARG A 12 -6.668 -27.318 -14.045 1.00 0.00 C ATOM 140 NH1 ARG A 12 -6.248 -28.365 -14.744 1.00 0.00 N ATOM 141 NH2 ARG A 12 -7.381 -27.507 -12.942 1.00 0.00 N ATOM 0 H ARG A 12 -3.563 -24.111 -18.555 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.036 -23.748 -15.843 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.980 -25.769 -17.552 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.553 -26.471 -16.818 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.940 -27.036 -15.128 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.759 -25.369 -14.618 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.771 -24.739 -15.931 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.947 -26.397 -16.469 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.719 -25.303 -13.882 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.700 -28.225 -15.593 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.473 -29.310 -14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.706 -26.706 -12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.604 -28.454 -12.635 1.00 0.00 H new ATOM 155 N ALA A 13 -0.417 -24.576 -17.606 1.00 0.00 N ATOM 156 CA ALA A 13 1.032 -24.725 -17.566 1.00 0.00 C ATOM 157 C ALA A 13 1.728 -23.398 -17.854 1.00 0.00 C ATOM 158 O ALA A 13 2.816 -23.134 -17.344 1.00 0.00 O ATOM 159 CB ALA A 13 1.480 -25.784 -18.561 1.00 0.00 C ATOM 0 H ALA A 13 -0.813 -24.552 -18.546 1.00 0.00 H new ATOM 0 HA ALA A 13 1.313 -25.043 -16.562 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.565 -25.885 -18.521 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.017 -26.738 -18.310 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.180 -25.489 -19.566 1.00 0.00 H new ATOM 165 N GLN A 14 1.092 -22.570 -18.675 1.00 0.00 N ATOM 166 CA GLN A 14 1.649 -21.270 -19.032 1.00 0.00 C ATOM 167 C GLN A 14 1.633 -20.321 -17.838 1.00 0.00 C ATOM 168 O GLN A 14 2.477 -19.432 -17.728 1.00 0.00 O ATOM 169 CB GLN A 14 0.864 -20.660 -20.197 1.00 0.00 C ATOM 170 CG GLN A 14 1.612 -20.698 -21.519 1.00 0.00 C ATOM 171 CD GLN A 14 2.524 -19.500 -21.707 1.00 0.00 C ATOM 172 OE1 GLN A 14 2.076 -18.417 -22.084 1.00 0.00 O ATOM 173 NE2 GLN A 14 3.811 -19.690 -21.443 1.00 0.00 N ATOM 0 H GLN A 14 0.191 -22.775 -19.106 1.00 0.00 H new ATOM 0 HA GLN A 14 2.685 -21.418 -19.337 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.080 -21.194 -20.307 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.619 -19.625 -19.957 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.203 -21.612 -21.572 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.894 -20.735 -22.338 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.138 -20.605 -21.133 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.473 -18.921 -21.550 1.00 0.00 H new ATOM 182 N GLN A 15 0.666 -20.514 -16.946 1.00 0.00 N ATOM 183 CA GLN A 15 0.540 -19.673 -15.760 1.00 0.00 C ATOM 184 C GLN A 15 1.223 -20.317 -14.557 1.00 0.00 C ATOM 185 O GLN A 15 0.709 -20.265 -13.438 1.00 0.00 O ATOM 186 CB GLN A 15 -0.935 -19.415 -15.448 1.00 0.00 C ATOM 187 CG GLN A 15 -1.663 -18.651 -16.542 1.00 0.00 C ATOM 188 CD GLN A 15 -3.125 -18.418 -16.215 1.00 0.00 C ATOM 189 OE1 GLN A 15 -3.885 -19.363 -16.004 1.00 0.00 O ATOM 190 NE2 GLN A 15 -3.527 -17.152 -16.173 1.00 0.00 N ATOM 0 H GLN A 15 -0.041 -21.245 -17.022 1.00 0.00 H new ATOM 0 HA GLN A 15 1.033 -18.723 -15.966 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.436 -20.369 -15.288 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.008 -18.856 -14.515 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.172 -17.691 -16.698 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.587 -19.204 -17.478 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.863 -16.400 -16.355 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.500 -16.933 -15.959 1.00 0.00 H new ATOM 199 N GLU A 16 2.382 -20.923 -14.791 1.00 0.00 N ATOM 200 CA GLU A 16 3.134 -21.576 -13.725 1.00 0.00 C ATOM 201 C GLU A 16 4.473 -20.882 -13.499 1.00 0.00 C ATOM 202 O GLU A 16 4.926 -20.742 -12.364 1.00 0.00 O ATOM 203 CB GLU A 16 3.360 -23.051 -14.061 1.00 0.00 C ATOM 204 CG GLU A 16 2.265 -23.967 -13.540 1.00 0.00 C ATOM 205 CD GLU A 16 2.594 -25.435 -13.733 1.00 0.00 C ATOM 206 OE1 GLU A 16 3.511 -25.933 -13.046 1.00 0.00 O ATOM 207 OE2 GLU A 16 1.933 -26.087 -14.569 1.00 0.00 O ATOM 0 H GLU A 16 2.822 -20.976 -15.710 1.00 0.00 H new ATOM 0 HA GLU A 16 2.550 -21.505 -12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.431 -23.162 -15.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.316 -23.368 -13.645 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.105 -23.770 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.330 -23.737 -14.051 1.00 0.00 H new ATOM 214 N ALA A 17 5.103 -20.451 -14.588 1.00 0.00 N ATOM 215 CA ALA A 17 6.392 -19.773 -14.507 1.00 0.00 C ATOM 216 C ALA A 17 6.285 -18.332 -14.994 1.00 0.00 C ATOM 217 O ALA A 17 6.867 -17.422 -14.404 1.00 0.00 O ATOM 218 CB ALA A 17 7.436 -20.529 -15.314 1.00 0.00 C ATOM 0 H ALA A 17 4.742 -20.559 -15.536 1.00 0.00 H new ATOM 0 HA ALA A 17 6.701 -19.753 -13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.393 -20.012 -15.245 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.540 -21.540 -14.919 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.124 -20.578 -16.357 1.00 0.00 H new ATOM 224 N GLU A 18 5.539 -18.131 -16.077 1.00 0.00 N ATOM 225 CA GLU A 18 5.358 -16.800 -16.644 1.00 0.00 C ATOM 226 C GLU A 18 4.725 -15.855 -15.625 1.00 0.00 C ATOM 227 O GLU A 18 4.974 -14.650 -15.643 1.00 0.00 O ATOM 228 CB GLU A 18 4.490 -16.874 -17.903 1.00 0.00 C ATOM 229 CG GLU A 18 5.261 -16.621 -19.188 1.00 0.00 C ATOM 230 CD GLU A 18 4.553 -15.651 -20.114 1.00 0.00 C ATOM 231 OE1 GLU A 18 4.043 -14.624 -19.619 1.00 0.00 O ATOM 232 OE2 GLU A 18 4.509 -15.918 -21.332 1.00 0.00 O ATOM 0 H GLU A 18 5.051 -18.873 -16.578 1.00 0.00 H new ATOM 0 HA GLU A 18 6.339 -16.408 -16.912 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.024 -17.858 -17.956 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.684 -16.144 -17.823 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.248 -16.229 -18.943 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.414 -17.567 -19.707 1.00 0.00 H new ATOM 239 N ALA A 19 3.906 -16.410 -14.738 1.00 0.00 N ATOM 240 CA ALA A 19 3.239 -15.617 -13.713 1.00 0.00 C ATOM 241 C ALA A 19 3.924 -15.781 -12.360 1.00 0.00 C ATOM 242 O ALA A 19 3.264 -15.855 -11.324 1.00 0.00 O ATOM 243 CB ALA A 19 1.772 -16.007 -13.615 1.00 0.00 C ATOM 0 H ALA A 19 3.688 -17.406 -14.709 1.00 0.00 H new ATOM 0 HA ALA A 19 3.306 -14.568 -14.000 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.287 -15.407 -12.846 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.284 -15.832 -14.574 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.693 -17.063 -13.355 1.00 0.00 H new ATOM 249 N ALA A 20 5.252 -15.838 -12.378 1.00 0.00 N ATOM 250 CA ALA A 20 6.027 -15.993 -11.154 1.00 0.00 C ATOM 251 C ALA A 20 7.324 -15.194 -11.221 1.00 0.00 C ATOM 252 O ALA A 20 7.647 -14.438 -10.305 1.00 0.00 O ATOM 253 CB ALA A 20 6.324 -17.464 -10.901 1.00 0.00 C ATOM 0 H ALA A 20 5.813 -15.779 -13.228 1.00 0.00 H new ATOM 0 HA ALA A 20 5.434 -15.605 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.904 -17.566 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.387 -18.012 -10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.894 -17.869 -11.737 1.00 0.00 H new ATOM 259 N GLN A 21 8.063 -15.367 -12.312 1.00 0.00 N ATOM 260 CA GLN A 21 9.326 -14.660 -12.499 1.00 0.00 C ATOM 261 C GLN A 21 9.102 -13.281 -13.117 1.00 0.00 C ATOM 262 O GLN A 21 9.990 -12.429 -13.086 1.00 0.00 O ATOM 263 CB GLN A 21 10.266 -15.484 -13.383 1.00 0.00 C ATOM 264 CG GLN A 21 11.281 -16.299 -12.597 1.00 0.00 C ATOM 265 CD GLN A 21 11.507 -17.675 -13.190 1.00 0.00 C ATOM 266 OE1 GLN A 21 11.040 -17.976 -14.289 1.00 0.00 O ATOM 267 NE2 GLN A 21 12.228 -18.522 -12.463 1.00 0.00 N ATOM 0 H GLN A 21 7.810 -15.990 -13.079 1.00 0.00 H new ATOM 0 HA GLN A 21 9.783 -14.522 -11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.673 -16.157 -14.002 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.796 -14.814 -14.059 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.228 -15.761 -12.566 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.939 -16.403 -11.567 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.596 -18.231 -11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.413 -19.463 -12.811 1.00 0.00 H new ATOM 276 N ARG A 22 7.915 -13.065 -13.678 1.00 0.00 N ATOM 277 CA ARG A 22 7.585 -11.787 -14.298 1.00 0.00 C ATOM 278 C ARG A 22 6.823 -10.887 -13.330 1.00 0.00 C ATOM 279 O ARG A 22 6.030 -10.042 -13.748 1.00 0.00 O ATOM 280 CB ARG A 22 6.757 -12.010 -15.564 1.00 0.00 C ATOM 281 CG ARG A 22 7.538 -12.657 -16.697 1.00 0.00 C ATOM 282 CD ARG A 22 7.412 -11.864 -17.989 1.00 0.00 C ATOM 283 NE ARG A 22 7.524 -12.718 -19.170 1.00 0.00 N ATOM 284 CZ ARG A 22 7.106 -12.365 -20.383 1.00 0.00 C ATOM 285 NH1 ARG A 22 6.546 -11.177 -20.579 1.00 0.00 N ATOM 286 NH2 ARG A 22 7.247 -13.202 -21.401 1.00 0.00 N ATOM 0 H ARG A 22 7.167 -13.758 -13.715 1.00 0.00 H new ATOM 0 HA ARG A 22 8.519 -11.291 -14.564 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.899 -12.637 -15.321 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.365 -11.052 -15.905 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.589 -12.734 -16.418 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.175 -13.673 -16.856 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.452 -11.348 -18.005 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.187 -11.098 -18.021 1.00 0.00 H new ATOM 0 HE ARG A 22 7.948 -13.639 -19.058 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.435 -10.531 -19.798 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.227 -10.911 -21.511 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.676 -14.116 -21.254 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.927 -12.932 -22.331 1.00 0.00 H new ATOM 300 N LEU A 23 7.066 -11.071 -12.037 1.00 0.00 N ATOM 301 CA LEU A 23 6.402 -10.272 -11.013 1.00 0.00 C ATOM 302 C LEU A 23 7.382 -9.868 -9.915 1.00 0.00 C ATOM 303 O LEU A 23 6.988 -9.642 -8.771 1.00 0.00 O ATOM 304 CB LEU A 23 5.232 -11.049 -10.408 1.00 0.00 C ATOM 305 CG LEU A 23 4.155 -10.188 -9.747 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.461 -9.316 -10.781 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.145 -11.063 -9.020 1.00 0.00 C ATOM 0 H LEU A 23 7.718 -11.766 -11.673 1.00 0.00 H new ATOM 0 HA LEU A 23 6.022 -9.366 -11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.767 -11.646 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.623 -11.746 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 23 4.635 -9.537 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.698 -8.710 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.193 -8.663 -11.257 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.994 -9.949 -11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.386 -10.434 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.670 -11.739 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.654 -11.645 -8.251 1.00 0.00 H new ATOM 319 N SER A 24 8.660 -9.780 -10.272 1.00 0.00 N ATOM 320 CA SER A 24 9.694 -9.403 -9.316 1.00 0.00 C ATOM 321 C SER A 24 9.879 -7.890 -9.286 1.00 0.00 C ATOM 322 O SER A 24 10.166 -7.309 -8.240 1.00 0.00 O ATOM 323 CB SER A 24 11.018 -10.084 -9.668 1.00 0.00 C ATOM 324 OG SER A 24 10.797 -11.361 -10.241 1.00 0.00 O ATOM 0 H SER A 24 9.003 -9.964 -11.215 1.00 0.00 H new ATOM 0 HA SER A 24 9.377 -9.733 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.577 -9.461 -10.366 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.629 -10.185 -8.771 1.00 0.00 H new ATOM 0 HG SER A 24 10.537 -11.258 -11.180 1.00 0.00 H new ATOM 330 N GLU A 25 9.712 -7.257 -10.443 1.00 0.00 N ATOM 331 CA GLU A 25 9.859 -5.810 -10.551 1.00 0.00 C ATOM 332 C GLU A 25 8.712 -5.096 -9.842 1.00 0.00 C ATOM 333 O GLU A 25 8.893 -4.011 -9.287 1.00 0.00 O ATOM 334 CB GLU A 25 9.913 -5.391 -12.023 1.00 0.00 C ATOM 335 CG GLU A 25 11.222 -4.727 -12.416 1.00 0.00 C ATOM 336 CD GLU A 25 11.332 -4.494 -13.911 1.00 0.00 C ATOM 337 OE1 GLU A 25 11.045 -5.435 -14.680 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.703 -3.371 -14.310 1.00 0.00 O ATOM 0 H GLU A 25 9.475 -7.723 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 25 10.793 -5.524 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.758 -6.270 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.091 -4.705 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.312 -3.773 -11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.054 -5.349 -12.087 1.00 0.00 H new ATOM 345 N GLU A 26 7.536 -5.712 -9.863 1.00 0.00 N ATOM 346 CA GLU A 26 6.361 -5.136 -9.220 1.00 0.00 C ATOM 347 C GLU A 26 6.432 -5.313 -7.706 1.00 0.00 C ATOM 348 O GLU A 26 5.961 -4.464 -6.949 1.00 0.00 O ATOM 349 CB GLU A 26 5.085 -5.784 -9.766 1.00 0.00 C ATOM 350 CG GLU A 26 4.322 -4.898 -10.737 1.00 0.00 C ATOM 351 CD GLU A 26 2.819 -5.048 -10.604 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.331 -6.197 -10.642 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.130 -4.016 -10.461 1.00 0.00 O ATOM 0 H GLU A 26 7.371 -6.610 -10.318 1.00 0.00 H new ATOM 0 HA GLU A 26 6.339 -4.069 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.346 -6.717 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.432 -6.041 -8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.596 -3.857 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.619 -5.142 -11.757 1.00 0.00 H new ATOM 360 N LYS A 27 7.025 -6.421 -7.273 1.00 0.00 N ATOM 361 CA LYS A 27 7.160 -6.709 -5.851 1.00 0.00 C ATOM 362 C LYS A 27 8.165 -5.764 -5.199 1.00 0.00 C ATOM 363 O LYS A 27 7.926 -5.244 -4.109 1.00 0.00 O ATOM 364 CB LYS A 27 7.598 -8.160 -5.642 1.00 0.00 C ATOM 365 CG LYS A 27 7.642 -8.578 -4.181 1.00 0.00 C ATOM 366 CD LYS A 27 7.573 -10.089 -4.032 1.00 0.00 C ATOM 367 CE LYS A 27 8.772 -10.767 -4.675 1.00 0.00 C ATOM 368 NZ LYS A 27 8.604 -12.245 -4.742 1.00 0.00 N ATOM 0 H LYS A 27 7.419 -7.134 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 27 6.188 -6.559 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.915 -8.818 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.586 -8.299 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.559 -8.208 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.811 -8.120 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.530 -10.350 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.656 -10.459 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.916 -10.372 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.671 -10.529 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.443 -12.670 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.492 -12.626 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.760 -12.473 -5.305 1.00 0.00 H new ATOM 382 N ALA A 28 9.286 -5.543 -5.876 1.00 0.00 N ATOM 383 CA ALA A 28 10.326 -4.658 -5.364 1.00 0.00 C ATOM 384 C ALA A 28 9.785 -3.248 -5.150 1.00 0.00 C ATOM 385 O ALA A 28 9.848 -2.710 -4.045 1.00 0.00 O ATOM 386 CB ALA A 28 11.513 -4.633 -6.315 1.00 0.00 C ATOM 0 H ALA A 28 9.498 -5.964 -6.780 1.00 0.00 H new ATOM 0 HA ALA A 28 10.658 -5.043 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.282 -3.968 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.920 -5.639 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.189 -4.273 -7.292 1.00 0.00 H new ATOM 392 N GLN A 29 9.253 -2.657 -6.215 1.00 0.00 N ATOM 393 CA GLN A 29 8.699 -1.309 -6.145 1.00 0.00 C ATOM 394 C GLN A 29 7.584 -1.234 -5.105 1.00 0.00 C ATOM 395 O GLN A 29 7.383 -0.198 -4.470 1.00 0.00 O ATOM 396 CB GLN A 29 8.165 -0.881 -7.512 1.00 0.00 C ATOM 397 CG GLN A 29 7.155 -1.852 -8.099 1.00 0.00 C ATOM 398 CD GLN A 29 6.967 -1.665 -9.592 1.00 0.00 C ATOM 399 OE1 GLN A 29 5.847 -1.486 -10.070 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.065 -1.708 -10.338 1.00 0.00 N ATOM 0 H GLN A 29 9.194 -3.090 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 29 9.498 -0.630 -5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.702 0.102 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.001 -0.777 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.482 -2.873 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.197 -1.722 -7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.974 -1.859 -9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.000 -1.590 -11.349 1.00 0.00 H new ATOM 409 N ALA A 30 6.864 -2.338 -4.937 1.00 0.00 N ATOM 410 CA ALA A 30 5.771 -2.398 -3.975 1.00 0.00 C ATOM 411 C ALA A 30 6.297 -2.455 -2.545 1.00 0.00 C ATOM 412 O ALA A 30 5.615 -2.045 -1.606 1.00 0.00 O ATOM 413 CB ALA A 30 4.884 -3.602 -4.260 1.00 0.00 C ATOM 0 H ALA A 30 7.018 -3.203 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 30 5.179 -1.489 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.071 -3.635 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.470 -3.519 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.475 -4.515 -4.185 1.00 0.00 H new ATOM 419 N SER A 31 7.514 -2.966 -2.385 1.00 0.00 N ATOM 420 CA SER A 31 8.131 -3.075 -1.068 1.00 0.00 C ATOM 421 C SER A 31 9.069 -1.900 -0.805 1.00 0.00 C ATOM 422 O SER A 31 10.067 -2.036 -0.099 1.00 0.00 O ATOM 423 CB SER A 31 8.901 -4.391 -0.949 1.00 0.00 C ATOM 424 OG SER A 31 8.966 -4.826 0.398 1.00 0.00 O ATOM 0 H SER A 31 8.092 -3.311 -3.151 1.00 0.00 H new ATOM 0 HA SER A 31 7.337 -3.057 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.417 -5.155 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.910 -4.262 -1.342 1.00 0.00 H new ATOM 0 HG SER A 31 9.462 -5.670 0.446 1.00 0.00 H new ATOM 430 N ALA A 32 8.739 -0.746 -1.378 1.00 0.00 N ATOM 431 CA ALA A 32 9.551 0.452 -1.206 1.00 0.00 C ATOM 432 C ALA A 32 8.689 1.645 -0.806 1.00 0.00 C ATOM 433 O ALA A 32 9.036 2.397 0.105 1.00 0.00 O ATOM 434 CB ALA A 32 10.317 0.758 -2.484 1.00 0.00 C ATOM 0 H ALA A 32 7.915 -0.616 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 32 10.265 0.266 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.919 1.655 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.968 -0.081 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.613 0.920 -3.300 1.00 0.00 H new ATOM 440 N ILE A 33 7.563 1.812 -1.493 1.00 0.00 N ATOM 441 CA ILE A 33 6.650 2.913 -1.209 1.00 0.00 C ATOM 442 C ILE A 33 5.922 2.693 0.112 1.00 0.00 C ATOM 443 O ILE A 33 5.087 1.796 0.230 1.00 0.00 O ATOM 444 CB ILE A 33 5.612 3.089 -2.333 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.305 3.155 -3.695 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.779 4.340 -2.097 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.408 2.763 -4.850 1.00 0.00 C ATOM 0 H ILE A 33 7.261 1.199 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 33 7.255 3.817 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 33 4.946 2.226 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.672 4.168 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.175 2.499 -3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.051 4.449 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.258 4.255 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.431 5.213 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.966 2.833 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.062 1.739 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.550 3.434 -4.888 1.00 0.00 H new ATOM 459 N SER A 34 6.242 3.518 1.103 1.00 0.00 N ATOM 460 CA SER A 34 5.617 3.413 2.417 1.00 0.00 C ATOM 461 C SER A 34 4.169 3.891 2.370 1.00 0.00 C ATOM 462 O SER A 34 3.653 4.236 1.307 1.00 0.00 O ATOM 463 CB SER A 34 6.403 4.229 3.446 1.00 0.00 C ATOM 464 OG SER A 34 7.375 3.430 4.096 1.00 0.00 O ATOM 0 H SER A 34 6.930 4.267 1.022 1.00 0.00 H new ATOM 0 HA SER A 34 5.625 2.364 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.890 5.070 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.718 4.646 4.184 1.00 0.00 H new ATOM 0 HG SER A 34 7.864 3.975 4.747 1.00 0.00 H new ATOM 470 N VAL A 35 3.519 3.909 3.530 1.00 0.00 N ATOM 471 CA VAL A 35 2.131 4.343 3.621 1.00 0.00 C ATOM 472 C VAL A 35 2.016 5.651 4.396 1.00 0.00 C ATOM 473 O VAL A 35 2.629 5.816 5.451 1.00 0.00 O ATOM 474 CB VAL A 35 1.252 3.279 4.302 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.218 3.659 4.209 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.495 1.910 3.683 1.00 0.00 C ATOM 0 H VAL A 35 3.932 3.628 4.419 1.00 0.00 H new ATOM 0 HA VAL A 35 1.779 4.494 2.600 1.00 0.00 H new ATOM 0 HB VAL A 35 1.525 3.231 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.823 2.894 4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.378 4.617 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.508 3.738 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.865 1.170 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.252 1.943 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.543 1.635 3.807 1.00 0.00 H new ATOM 486 N GLY A 36 1.227 6.580 3.865 1.00 0.00 N ATOM 487 CA GLY A 36 1.045 7.862 4.522 1.00 0.00 C ATOM 488 C GLY A 36 2.090 8.878 4.106 1.00 0.00 C ATOM 489 O GLY A 36 2.471 9.744 4.893 1.00 0.00 O ATOM 0 H GLY A 36 0.711 6.468 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.053 8.249 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.087 7.723 5.602 1.00 0.00 H new ATOM 493 N SER A 37 2.554 8.774 2.865 1.00 0.00 N ATOM 494 CA SER A 37 3.562 9.691 2.346 1.00 0.00 C ATOM 495 C SER A 37 3.159 10.222 0.974 1.00 0.00 C ATOM 496 O SER A 37 2.644 9.481 0.136 1.00 0.00 O ATOM 497 CB SER A 37 4.920 8.993 2.257 1.00 0.00 C ATOM 498 OG SER A 37 5.519 8.876 3.536 1.00 0.00 O ATOM 0 H SER A 37 2.248 8.064 2.200 1.00 0.00 H new ATOM 0 HA SER A 37 3.639 10.533 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.795 8.003 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.578 9.555 1.594 1.00 0.00 H new ATOM 0 HG SER A 37 6.118 8.100 3.547 1.00 0.00 H new ATOM 504 N ARG A 38 3.399 11.509 0.750 1.00 0.00 N ATOM 505 CA ARG A 38 3.062 12.141 -0.521 1.00 0.00 C ATOM 506 C ARG A 38 3.889 11.548 -1.658 1.00 0.00 C ATOM 507 O ARG A 38 5.110 11.428 -1.553 1.00 0.00 O ATOM 508 CB ARG A 38 3.292 13.651 -0.441 1.00 0.00 C ATOM 509 CG ARG A 38 2.456 14.336 0.630 1.00 0.00 C ATOM 510 CD ARG A 38 1.569 15.421 0.041 1.00 0.00 C ATOM 511 NE ARG A 38 0.187 14.976 -0.113 1.00 0.00 N ATOM 512 CZ ARG A 38 -0.713 15.600 -0.868 1.00 0.00 C ATOM 513 NH1 ARG A 38 -0.381 16.697 -1.540 1.00 0.00 N ATOM 514 NH2 ARG A 38 -1.950 15.128 -0.954 1.00 0.00 N ATOM 0 H ARG A 38 3.826 12.136 1.432 1.00 0.00 H new ATOM 0 HA ARG A 38 2.008 11.952 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.347 13.840 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.064 14.097 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.838 13.596 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.114 14.772 1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.597 16.300 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.962 15.723 -0.929 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.106 14.137 0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.568 17.065 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.075 17.171 -2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.211 14.286 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.640 15.607 -1.533 1.00 0.00 H new ATOM 528 N CYS A 39 3.216 11.181 -2.744 1.00 0.00 N ATOM 529 CA CYS A 39 3.890 10.602 -3.901 1.00 0.00 C ATOM 530 C CYS A 39 3.208 11.028 -5.197 1.00 0.00 C ATOM 531 O CYS A 39 1.981 11.046 -5.287 1.00 0.00 O ATOM 532 CB CYS A 39 3.905 9.076 -3.797 1.00 0.00 C ATOM 533 SG CYS A 39 4.399 8.451 -2.174 1.00 0.00 S ATOM 0 H CYS A 39 2.206 11.274 -2.847 1.00 0.00 H new ATOM 0 HA CYS A 39 4.916 10.969 -3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.911 8.697 -4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.585 8.678 -4.550 1.00 0.00 H new ATOM 0 HG CYS A 39 3.559 8.868 -1.274 1.00 0.00 H new ATOM 539 N GLU A 40 4.013 11.369 -6.198 1.00 0.00 N ATOM 540 CA GLU A 40 3.487 11.794 -7.490 1.00 0.00 C ATOM 541 C GLU A 40 2.911 10.608 -8.258 1.00 0.00 C ATOM 542 O GLU A 40 3.479 9.516 -8.250 1.00 0.00 O ATOM 543 CB GLU A 40 4.586 12.467 -8.315 1.00 0.00 C ATOM 544 CG GLU A 40 4.665 13.971 -8.112 1.00 0.00 C ATOM 545 CD GLU A 40 5.899 14.582 -8.747 1.00 0.00 C ATOM 546 OE1 GLU A 40 7.002 14.031 -8.550 1.00 0.00 O ATOM 547 OE2 GLU A 40 5.761 15.611 -9.441 1.00 0.00 O ATOM 0 H GLU A 40 5.031 11.359 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 40 2.686 12.512 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.547 12.023 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.414 12.260 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.775 14.438 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.664 14.190 -7.044 1.00 0.00 H new ATOM 554 N VAL A 41 1.782 10.832 -8.921 1.00 0.00 N ATOM 555 CA VAL A 41 1.129 9.782 -9.694 1.00 0.00 C ATOM 556 C VAL A 41 1.111 10.124 -11.180 1.00 0.00 C ATOM 557 O VAL A 41 0.841 11.262 -11.562 1.00 0.00 O ATOM 558 CB VAL A 41 -0.317 9.550 -9.216 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.916 8.328 -9.897 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.362 9.402 -7.703 1.00 0.00 C ATOM 0 H VAL A 41 1.300 11.731 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 41 1.706 8.870 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.915 10.419 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.938 8.180 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.921 8.479 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.319 7.448 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.391 9.239 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.250 8.552 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.023 10.309 -7.237 1.00 0.00 H new ATOM 570 N ARG A 42 1.400 9.130 -12.014 1.00 0.00 N ATOM 571 CA ARG A 42 1.418 9.326 -13.459 1.00 0.00 C ATOM 572 C ARG A 42 0.611 8.241 -14.166 1.00 0.00 C ATOM 573 O ARG A 42 1.031 7.086 -14.232 1.00 0.00 O ATOM 574 CB ARG A 42 2.857 9.329 -13.977 1.00 0.00 C ATOM 575 CG ARG A 42 3.130 10.413 -15.009 1.00 0.00 C ATOM 576 CD ARG A 42 2.377 10.154 -16.304 1.00 0.00 C ATOM 577 NE ARG A 42 1.790 11.376 -16.850 1.00 0.00 N ATOM 578 CZ ARG A 42 0.817 11.389 -17.757 1.00 0.00 C ATOM 579 NH1 ARG A 42 0.317 10.251 -18.222 1.00 0.00 N ATOM 580 NH2 ARG A 42 0.341 12.545 -18.201 1.00 0.00 N ATOM 0 H ARG A 42 1.625 8.181 -11.714 1.00 0.00 H new ATOM 0 HA ARG A 42 0.961 10.291 -13.675 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.537 9.461 -13.135 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.078 8.356 -14.417 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.838 11.383 -14.605 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.200 10.461 -15.213 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.056 9.719 -17.037 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.589 9.422 -16.125 1.00 0.00 H new ATOM 0 HE ARG A 42 2.147 12.271 -16.516 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.679 9.359 -17.884 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.429 10.268 -18.917 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.721 13.423 -17.847 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.405 12.556 -18.896 1.00 0.00 H new ATOM 594 N ALA A 43 -0.548 8.622 -14.692 1.00 0.00 N ATOM 595 CA ALA A 43 -1.414 7.683 -15.394 1.00 0.00 C ATOM 596 C ALA A 43 -2.257 8.396 -16.449 1.00 0.00 C ATOM 597 O ALA A 43 -2.494 9.600 -16.354 1.00 0.00 O ATOM 598 CB ALA A 43 -2.310 6.951 -14.407 1.00 0.00 C ATOM 0 H ALA A 43 -0.909 9.575 -14.645 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.782 6.955 -15.902 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.951 6.253 -14.946 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.694 6.402 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.928 7.672 -13.872 1.00 0.00 H new ATOM 604 N PRO A 44 -2.723 7.658 -17.471 1.00 0.00 N ATOM 605 CA PRO A 44 -3.543 8.227 -18.545 1.00 0.00 C ATOM 606 C PRO A 44 -4.944 8.599 -18.068 1.00 0.00 C ATOM 607 O PRO A 44 -5.938 8.041 -18.533 1.00 0.00 O ATOM 608 CB PRO A 44 -3.608 7.098 -19.577 1.00 0.00 C ATOM 609 CG PRO A 44 -3.415 5.852 -18.786 1.00 0.00 C ATOM 610 CD PRO A 44 -2.486 6.213 -17.659 1.00 0.00 C ATOM 0 HA PRO A 44 -3.121 9.153 -18.935 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.565 7.092 -20.098 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.833 7.210 -20.336 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.366 5.482 -18.404 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.990 5.060 -19.403 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.712 5.648 -16.755 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.446 6.006 -17.913 1.00 0.00 H new ATOM 618 N ASP A 45 -5.014 9.544 -17.137 1.00 0.00 N ATOM 619 CA ASP A 45 -6.293 9.993 -16.597 1.00 0.00 C ATOM 620 C ASP A 45 -6.448 11.503 -16.746 1.00 0.00 C ATOM 621 O ASP A 45 -7.504 11.991 -17.149 1.00 0.00 O ATOM 622 CB ASP A 45 -6.414 9.599 -15.123 1.00 0.00 C ATOM 623 CG ASP A 45 -6.689 8.119 -14.939 1.00 0.00 C ATOM 624 OD1 ASP A 45 -7.465 7.556 -15.740 1.00 0.00 O ATOM 625 OD2 ASP A 45 -6.128 7.524 -13.996 1.00 0.00 O ATOM 0 H ASP A 45 -4.200 10.014 -16.740 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.088 9.508 -17.163 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.493 9.862 -14.603 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.216 10.175 -14.661 1.00 0.00 H new ATOM 630 N HIS A 46 -5.391 12.237 -16.418 1.00 0.00 N ATOM 631 CA HIS A 46 -5.409 13.692 -16.517 1.00 0.00 C ATOM 632 C HIS A 46 -3.994 14.249 -16.632 1.00 0.00 C ATOM 633 O HIS A 46 -3.608 14.782 -17.673 1.00 0.00 O ATOM 634 CB HIS A 46 -6.110 14.298 -15.299 1.00 0.00 C ATOM 635 CG HIS A 46 -6.843 15.569 -15.601 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.130 15.596 -16.098 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.464 16.863 -15.474 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.509 16.852 -16.263 1.00 0.00 C ATOM 639 NE2 HIS A 46 -7.516 17.638 -15.892 1.00 0.00 N ATOM 0 H HIS A 46 -4.510 11.848 -16.081 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.960 13.962 -17.418 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.813 13.570 -14.895 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.370 14.491 -14.523 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.511 17.219 -15.111 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.468 17.179 -16.638 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.529 18.658 -15.913 1.00 0.00 H new ATOM 648 N SER A 47 -3.223 14.120 -15.556 1.00 0.00 N ATOM 649 CA SER A 47 -1.848 14.610 -15.537 1.00 0.00 C ATOM 650 C SER A 47 -1.193 14.336 -14.186 1.00 0.00 C ATOM 651 O SER A 47 -1.794 13.717 -13.308 1.00 0.00 O ATOM 652 CB SER A 47 -1.812 16.110 -15.838 1.00 0.00 C ATOM 653 OG SER A 47 -1.667 16.347 -17.228 1.00 0.00 O ATOM 0 H SER A 47 -3.526 13.681 -14.687 1.00 0.00 H new ATOM 0 HA SER A 47 -1.290 14.079 -16.308 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.729 16.578 -15.480 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.986 16.573 -15.299 1.00 0.00 H new ATOM 0 HG SER A 47 -2.163 15.667 -17.729 1.00 0.00 H new ATOM 659 N LEU A 48 0.040 14.805 -14.026 1.00 0.00 N ATOM 660 CA LEU A 48 0.776 14.611 -12.782 1.00 0.00 C ATOM 661 C LEU A 48 0.122 15.382 -11.640 1.00 0.00 C ATOM 662 O LEU A 48 -0.203 16.561 -11.777 1.00 0.00 O ATOM 663 CB LEU A 48 2.231 15.057 -12.952 1.00 0.00 C ATOM 664 CG LEU A 48 3.244 13.920 -13.088 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.568 14.446 -13.621 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.445 13.224 -11.751 1.00 0.00 C ATOM 0 H LEU A 48 0.550 15.322 -14.742 1.00 0.00 H new ATOM 0 HA LEU A 48 0.757 13.549 -12.536 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.300 15.692 -13.835 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.509 15.671 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 48 2.853 13.193 -13.799 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.277 13.623 -13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.412 14.899 -14.600 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.966 15.193 -12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.169 12.417 -11.866 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.815 13.942 -11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.495 12.813 -11.408 1.00 0.00 H new ATOM 678 N ARG A 49 -0.069 14.706 -10.510 1.00 0.00 N ATOM 679 CA ARG A 49 -0.684 15.328 -9.343 1.00 0.00 C ATOM 680 C ARG A 49 0.041 14.920 -8.064 1.00 0.00 C ATOM 681 O ARG A 49 0.981 14.126 -8.099 1.00 0.00 O ATOM 682 CB ARG A 49 -2.161 14.940 -9.252 1.00 0.00 C ATOM 683 CG ARG A 49 -2.992 15.429 -10.427 1.00 0.00 C ATOM 684 CD ARG A 49 -4.470 15.132 -10.229 1.00 0.00 C ATOM 685 NE ARG A 49 -5.006 14.285 -11.293 1.00 0.00 N ATOM 686 CZ ARG A 49 -6.130 13.581 -11.185 1.00 0.00 C ATOM 687 NH1 ARG A 49 -6.842 13.619 -10.065 1.00 0.00 N ATOM 688 NH2 ARG A 49 -6.544 12.836 -12.201 1.00 0.00 N ATOM 0 H ARG A 49 0.193 13.729 -10.379 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.606 16.409 -9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.240 13.855 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.578 15.344 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.850 16.502 -10.552 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.644 14.952 -11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.615 14.641 -9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.027 16.069 -10.196 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.488 14.230 -12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.528 14.190 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.703 13.077 -9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.001 12.803 -13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.405 12.296 -12.120 1.00 0.00 H new ATOM 702 N ARG A 50 -0.404 15.466 -6.938 1.00 0.00 N ATOM 703 CA ARG A 50 0.201 15.159 -5.647 1.00 0.00 C ATOM 704 C ARG A 50 -0.758 14.356 -4.774 1.00 0.00 C ATOM 705 O ARG A 50 -1.706 14.905 -4.210 1.00 0.00 O ATOM 706 CB ARG A 50 0.605 16.448 -4.931 1.00 0.00 C ATOM 707 CG ARG A 50 1.977 16.964 -5.334 1.00 0.00 C ATOM 708 CD ARG A 50 2.988 16.806 -4.210 1.00 0.00 C ATOM 709 NE ARG A 50 4.363 16.822 -4.703 1.00 0.00 N ATOM 710 CZ ARG A 50 4.972 17.910 -5.170 1.00 0.00 C ATOM 711 NH1 ARG A 50 4.331 19.072 -5.208 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.224 17.836 -5.599 1.00 0.00 N ATOM 0 H ARG A 50 -1.182 16.124 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 50 1.092 14.556 -5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.139 17.217 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.593 16.275 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.325 16.424 -6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.903 18.015 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.853 17.610 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.802 15.869 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 50 4.888 15.948 -4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.368 19.134 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.802 19.903 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.721 16.946 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.691 18.669 -5.957 1.00 0.00 H new ATOM 726 N GLY A 51 -0.506 13.057 -4.666 1.00 0.00 N ATOM 727 CA GLY A 51 -1.355 12.200 -3.859 1.00 0.00 C ATOM 728 C GLY A 51 -0.633 11.642 -2.649 1.00 0.00 C ATOM 729 O GLY A 51 0.510 12.008 -2.377 1.00 0.00 O ATOM 0 H GLY A 51 0.272 12.581 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.227 12.765 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.721 11.376 -4.471 1.00 0.00 H new ATOM 733 N THR A 52 -1.302 10.752 -1.922 1.00 0.00 N ATOM 734 CA THR A 52 -0.716 10.142 -0.735 1.00 0.00 C ATOM 735 C THR A 52 -1.011 8.646 -0.690 1.00 0.00 C ATOM 736 O THR A 52 -2.115 8.211 -1.017 1.00 0.00 O ATOM 737 CB THR A 52 -1.252 10.817 0.528 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.274 12.225 0.374 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.439 10.504 1.766 1.00 0.00 C ATOM 0 H THR A 52 -2.249 10.438 -2.134 1.00 0.00 H new ATOM 0 HA THR A 52 0.364 10.280 -0.782 1.00 0.00 H new ATOM 0 HB THR A 52 -2.257 10.418 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.621 12.638 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.874 11.014 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.444 9.428 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.587 10.844 1.623 1.00 0.00 H new ATOM 747 N VAL A 53 -0.016 7.864 -0.284 1.00 0.00 N ATOM 748 CA VAL A 53 -0.169 6.417 -0.197 1.00 0.00 C ATOM 749 C VAL A 53 -1.053 6.030 0.984 1.00 0.00 C ATOM 750 O VAL A 53 -0.844 6.491 2.106 1.00 0.00 O ATOM 751 CB VAL A 53 1.194 5.714 -0.058 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.028 4.203 -0.136 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.160 6.206 -1.126 1.00 0.00 C ATOM 0 H VAL A 53 0.904 8.208 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.642 6.092 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 53 1.610 5.961 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.002 3.724 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.374 3.867 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.589 3.934 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.118 5.698 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.751 5.992 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.304 7.281 -1.019 1.00 0.00 H new ATOM 763 N MET A 54 -2.039 5.178 0.724 1.00 0.00 N ATOM 764 CA MET A 54 -2.956 4.728 1.765 1.00 0.00 C ATOM 765 C MET A 54 -2.856 3.218 1.962 1.00 0.00 C ATOM 766 O MET A 54 -2.799 2.732 3.091 1.00 0.00 O ATOM 767 CB MET A 54 -4.393 5.114 1.412 1.00 0.00 C ATOM 768 CG MET A 54 -4.572 6.597 1.130 1.00 0.00 C ATOM 769 SD MET A 54 -6.254 7.010 0.627 1.00 0.00 S ATOM 770 CE MET A 54 -6.271 6.377 -1.049 1.00 0.00 C ATOM 0 H MET A 54 -2.224 4.785 -0.199 1.00 0.00 H new ATOM 0 HA MET A 54 -2.675 5.218 2.697 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.709 4.545 0.537 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.050 4.827 2.233 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.314 7.166 2.023 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.878 6.900 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.288 6.412 -1.441 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.620 6.987 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.916 5.346 -1.052 1.00 0.00 H new ATOM 780 N TYR A 55 -2.838 2.483 0.855 1.00 0.00 N ATOM 781 CA TYR A 55 -2.745 1.029 0.905 1.00 0.00 C ATOM 782 C TYR A 55 -1.853 0.501 -0.215 1.00 0.00 C ATOM 783 O TYR A 55 -1.946 0.948 -1.358 1.00 0.00 O ATOM 784 CB TYR A 55 -4.138 0.404 0.801 1.00 0.00 C ATOM 785 CG TYR A 55 -4.222 -0.988 1.384 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.509 -1.182 2.729 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.017 -2.108 0.588 1.00 0.00 C ATOM 788 CE1 TYR A 55 -4.587 -2.453 3.265 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.094 -3.383 1.118 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.379 -3.550 2.456 1.00 0.00 C ATOM 791 OH TYR A 55 -4.456 -4.817 2.987 1.00 0.00 O ATOM 0 H TYR A 55 -2.887 2.870 -0.087 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.300 0.751 1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.855 1.047 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.434 0.368 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.674 -0.326 3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.794 -1.981 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.810 -2.587 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.932 -4.244 0.486 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.285 -5.477 2.283 1.00 0.00 H new ATOM 801 N VAL A 56 -0.991 -0.452 0.123 1.00 0.00 N ATOM 802 CA VAL A 56 -0.084 -1.040 -0.855 1.00 0.00 C ATOM 803 C VAL A 56 -0.046 -2.559 -0.724 1.00 0.00 C ATOM 804 O VAL A 56 0.180 -3.093 0.362 1.00 0.00 O ATOM 805 CB VAL A 56 1.346 -0.487 -0.700 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.230 -0.961 -1.842 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.324 1.033 -0.629 1.00 0.00 C ATOM 0 H VAL A 56 -0.902 -0.833 1.065 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.464 -0.771 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 56 1.764 -0.867 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.235 -0.560 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.271 -2.050 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.818 -0.613 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.342 1.407 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.887 1.434 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.728 1.349 0.227 1.00 0.00 H new ATOM 817 N GLY A 57 -0.267 -3.250 -1.837 1.00 0.00 N ATOM 818 CA GLY A 57 -0.255 -4.701 -1.826 1.00 0.00 C ATOM 819 C GLY A 57 -1.091 -5.296 -2.941 1.00 0.00 C ATOM 820 O GLY A 57 -1.450 -4.605 -3.894 1.00 0.00 O ATOM 0 H GLY A 57 -0.454 -2.831 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.772 -5.053 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.629 -5.057 -0.866 1.00 0.00 H new ATOM 824 N LEU A 58 -1.402 -6.583 -2.822 1.00 0.00 N ATOM 825 CA LEU A 58 -2.201 -7.271 -3.829 1.00 0.00 C ATOM 826 C LEU A 58 -3.669 -6.868 -3.727 1.00 0.00 C ATOM 827 O LEU A 58 -4.093 -6.275 -2.735 1.00 0.00 O ATOM 828 CB LEU A 58 -2.065 -8.787 -3.672 1.00 0.00 C ATOM 829 CG LEU A 58 -0.697 -9.356 -4.054 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.412 -10.628 -3.272 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.632 -9.621 -5.550 1.00 0.00 C ATOM 0 H LEU A 58 -1.113 -7.170 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.829 -6.980 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.275 -9.050 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.827 -9.270 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 58 0.067 -8.621 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.565 -11.019 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.418 -10.408 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.178 -11.371 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.347 -10.025 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.404 -10.339 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.792 -8.689 -6.092 1.00 0.00 H new ATOM 843 N THR A 59 -4.440 -7.193 -4.760 1.00 0.00 N ATOM 844 CA THR A 59 -5.860 -6.863 -4.788 1.00 0.00 C ATOM 845 C THR A 59 -6.711 -8.124 -4.901 1.00 0.00 C ATOM 846 O THR A 59 -6.185 -9.233 -5.008 1.00 0.00 O ATOM 847 CB THR A 59 -6.164 -5.925 -5.958 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.299 -6.187 -7.048 1.00 0.00 O ATOM 849 CG2 THR A 59 -6.023 -4.461 -5.604 1.00 0.00 C ATOM 0 H THR A 59 -4.105 -7.685 -5.589 1.00 0.00 H new ATOM 0 HA THR A 59 -6.108 -6.361 -3.853 1.00 0.00 H new ATOM 0 HB THR A 59 -7.203 -6.120 -6.222 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.125 -5.355 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.253 -3.852 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.713 -4.214 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.001 -4.262 -5.281 1.00 0.00 H new ATOM 857 N ASP A 60 -8.028 -7.948 -4.876 1.00 0.00 N ATOM 858 CA ASP A 60 -8.953 -9.071 -4.976 1.00 0.00 C ATOM 859 C ASP A 60 -9.785 -8.980 -6.252 1.00 0.00 C ATOM 860 O ASP A 60 -10.905 -9.486 -6.312 1.00 0.00 O ATOM 861 CB ASP A 60 -9.873 -9.108 -3.752 1.00 0.00 C ATOM 862 CG ASP A 60 -9.628 -10.326 -2.882 1.00 0.00 C ATOM 863 OD1 ASP A 60 -10.226 -11.386 -3.163 1.00 0.00 O ATOM 864 OD2 ASP A 60 -8.838 -10.219 -1.920 1.00 0.00 O ATOM 0 H ASP A 60 -8.479 -7.037 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.369 -9.991 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.722 -8.205 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.912 -9.103 -4.081 1.00 0.00 H new ATOM 869 N PHE A 61 -9.228 -8.332 -7.271 1.00 0.00 N ATOM 870 CA PHE A 61 -9.918 -8.177 -8.547 1.00 0.00 C ATOM 871 C PHE A 61 -8.922 -8.126 -9.701 1.00 0.00 C ATOM 872 O PHE A 61 -9.122 -8.765 -10.735 1.00 0.00 O ATOM 873 CB PHE A 61 -10.775 -6.910 -8.537 1.00 0.00 C ATOM 874 CG PHE A 61 -10.006 -5.663 -8.205 1.00 0.00 C ATOM 875 CD1 PHE A 61 -9.568 -5.427 -6.912 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.721 -4.727 -9.186 1.00 0.00 C ATOM 877 CE1 PHE A 61 -8.860 -4.281 -6.604 1.00 0.00 C ATOM 878 CE2 PHE A 61 -9.014 -3.579 -8.884 1.00 0.00 C ATOM 879 CZ PHE A 61 -8.583 -3.355 -7.591 1.00 0.00 C ATOM 0 H PHE A 61 -8.302 -7.906 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.566 -9.042 -8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.241 -6.789 -9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.581 -7.033 -7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.782 -6.147 -6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.055 -4.897 -10.199 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.523 -4.109 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.799 -2.857 -9.658 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.031 -2.458 -7.352 1.00 0.00 H new ATOM 889 N LYS A 62 -7.848 -7.365 -9.519 1.00 0.00 N ATOM 890 CA LYS A 62 -6.820 -7.234 -10.546 1.00 0.00 C ATOM 891 C LYS A 62 -5.503 -7.848 -10.079 1.00 0.00 C ATOM 892 O LYS A 62 -5.201 -7.858 -8.886 1.00 0.00 O ATOM 893 CB LYS A 62 -6.610 -5.761 -10.902 1.00 0.00 C ATOM 894 CG LYS A 62 -7.715 -5.181 -11.771 1.00 0.00 C ATOM 895 CD LYS A 62 -7.525 -5.549 -13.235 1.00 0.00 C ATOM 896 CE LYS A 62 -8.524 -6.605 -13.679 1.00 0.00 C ATOM 897 NZ LYS A 62 -9.921 -6.087 -13.671 1.00 0.00 N ATOM 0 H LYS A 62 -7.666 -6.829 -8.670 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.157 -7.771 -11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.540 -5.180 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.657 -5.653 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.681 -5.548 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.730 -4.096 -11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.638 -4.658 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.511 -5.918 -13.390 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.269 -6.947 -14.682 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.454 -7.471 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.505 -6.654 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.309 -6.151 -12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.925 -5.094 -13.981 1.00 0.00 H new ATOM 911 N PRO A 63 -4.697 -8.373 -11.019 1.00 0.00 N ATOM 912 CA PRO A 63 -3.408 -8.991 -10.698 1.00 0.00 C ATOM 913 C PRO A 63 -2.354 -7.961 -10.304 1.00 0.00 C ATOM 914 O PRO A 63 -2.632 -6.764 -10.248 1.00 0.00 O ATOM 915 CB PRO A 63 -3.016 -9.687 -12.001 1.00 0.00 C ATOM 916 CG PRO A 63 -3.692 -8.897 -13.068 1.00 0.00 C ATOM 917 CD PRO A 63 -4.980 -8.404 -12.468 1.00 0.00 C ATOM 0 HA PRO A 63 -3.479 -9.665 -9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.935 -9.693 -12.137 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.344 -10.726 -12.009 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.068 -8.064 -13.391 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.882 -9.512 -13.948 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.247 -7.417 -12.846 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.811 -9.070 -12.700 1.00 0.00 H new ATOM 925 N GLY A 64 -1.142 -8.436 -10.032 1.00 0.00 N ATOM 926 CA GLY A 64 -0.065 -7.542 -9.648 1.00 0.00 C ATOM 927 C GLY A 64 -0.383 -6.759 -8.390 1.00 0.00 C ATOM 928 O GLY A 64 -1.439 -6.941 -7.787 1.00 0.00 O ATOM 0 H GLY A 64 -0.887 -9.423 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.845 -8.121 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.135 -6.847 -10.464 1.00 0.00 H new ATOM 932 N TYR A 65 0.535 -5.883 -7.993 1.00 0.00 N ATOM 933 CA TYR A 65 0.349 -5.068 -6.798 1.00 0.00 C ATOM 934 C TYR A 65 -0.350 -3.757 -7.139 1.00 0.00 C ATOM 935 O TYR A 65 -0.233 -3.252 -8.256 1.00 0.00 O ATOM 936 CB TYR A 65 1.697 -4.786 -6.132 1.00 0.00 C ATOM 937 CG TYR A 65 2.333 -6.007 -5.507 1.00 0.00 C ATOM 938 CD1 TYR A 65 1.971 -6.427 -4.234 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.293 -6.741 -6.191 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.548 -7.543 -3.659 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.877 -7.858 -5.623 1.00 0.00 C ATOM 942 CZ TYR A 65 3.501 -8.254 -4.358 1.00 0.00 C ATOM 943 OH TYR A 65 4.079 -9.366 -3.789 1.00 0.00 O ATOM 0 H TYR A 65 1.415 -5.720 -8.482 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.280 -5.623 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.379 -4.371 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.561 -4.025 -5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.226 -5.872 -3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.588 -6.434 -7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.255 -7.857 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.624 -8.417 -6.168 1.00 0.00 H new ATOM 0 HH TYR A 65 4.540 -9.885 -4.481 1.00 0.00 H new ATOM 953 N TRP A 66 -1.076 -3.208 -6.169 1.00 0.00 N ATOM 954 CA TRP A 66 -1.793 -1.955 -6.369 1.00 0.00 C ATOM 955 C TRP A 66 -1.505 -0.975 -5.235 1.00 0.00 C ATOM 956 O TRP A 66 -1.354 -1.373 -4.080 1.00 0.00 O ATOM 957 CB TRP A 66 -3.297 -2.214 -6.465 1.00 0.00 C ATOM 958 CG TRP A 66 -3.708 -2.844 -7.759 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.721 -4.177 -8.055 1.00 0.00 C ATOM 960 CD2 TRP A 66 -4.163 -2.167 -8.937 1.00 0.00 C ATOM 961 NE1 TRP A 66 -4.158 -4.370 -9.344 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.435 -3.151 -9.906 1.00 0.00 C ATOM 963 CE3 TRP A 66 -4.369 -0.824 -9.265 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.902 -2.834 -11.180 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.831 -0.511 -10.530 1.00 0.00 C ATOM 966 CH2 TRP A 66 -5.093 -1.512 -11.472 1.00 0.00 C ATOM 0 H TRP A 66 -1.182 -3.611 -5.238 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.447 -1.513 -7.303 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.601 -2.861 -5.642 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.830 -1.271 -6.343 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.430 -4.965 -7.376 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.260 -5.273 -9.807 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.171 -0.045 -8.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -5.106 -3.604 -11.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.992 0.523 -10.795 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -5.454 -1.234 -12.451 1.00 0.00 H new ATOM 977 N VAL A 67 -1.428 0.308 -5.575 1.00 0.00 N ATOM 978 CA VAL A 67 -1.158 1.346 -4.587 1.00 0.00 C ATOM 979 C VAL A 67 -2.282 2.375 -4.548 1.00 0.00 C ATOM 980 O VAL A 67 -2.527 3.079 -5.528 1.00 0.00 O ATOM 981 CB VAL A 67 0.171 2.067 -4.879 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.536 3.000 -3.735 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.282 1.058 -5.130 1.00 0.00 C ATOM 0 H VAL A 67 -1.549 0.653 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.090 0.850 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 67 0.047 2.668 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.478 3.500 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.249 3.745 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.641 2.424 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.213 1.586 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.408 0.428 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.022 0.436 -5.986 1.00 0.00 H new ATOM 993 N GLY A 68 -2.963 2.458 -3.410 1.00 0.00 N ATOM 994 CA GLY A 68 -4.052 3.405 -3.265 1.00 0.00 C ATOM 995 C GLY A 68 -3.561 4.818 -3.015 1.00 0.00 C ATOM 996 O GLY A 68 -2.882 5.079 -2.023 1.00 0.00 O ATOM 0 H GLY A 68 -2.780 1.886 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.665 3.390 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.692 3.094 -2.439 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.905 5.730 -3.917 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.494 7.124 -3.791 1.00 0.00 C ATOM 1002 C VAL A 69 -4.688 8.063 -3.924 1.00 0.00 C ATOM 1003 O VAL A 69 -5.390 8.051 -4.935 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.441 7.498 -4.851 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.879 8.885 -4.581 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.329 6.460 -4.886 1.00 0.00 C ATOM 0 H VAL A 69 -4.468 5.529 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.055 7.236 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.924 7.513 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.137 9.131 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.686 9.617 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.411 8.903 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.594 6.740 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.847 6.411 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.749 5.485 -5.133 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.913 8.875 -2.897 1.00 0.00 N ATOM 1017 CA ARG A 70 -6.024 9.821 -2.899 1.00 0.00 C ATOM 1018 C ARG A 70 -5.539 11.228 -3.232 1.00 0.00 C ATOM 1019 O ARG A 70 -4.428 11.616 -2.871 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.725 9.819 -1.541 1.00 0.00 C ATOM 1021 CG ARG A 70 -8.018 10.619 -1.522 1.00 0.00 C ATOM 1022 CD ARG A 70 -8.162 11.417 -0.236 1.00 0.00 C ATOM 1023 NE ARG A 70 -7.316 12.608 -0.234 1.00 0.00 N ATOM 1024 CZ ARG A 70 -7.497 13.646 0.580 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -8.494 13.644 1.457 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -6.680 14.687 0.517 1.00 0.00 N ATOM 0 H ARG A 70 -4.341 8.898 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.733 9.509 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.940 8.790 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.046 10.224 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.040 11.296 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.867 9.943 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.203 11.712 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.902 10.786 0.614 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.541 12.647 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.126 12.845 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.628 14.442 2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.913 14.693 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.818 15.482 1.140 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.382 11.991 -3.922 1.00 0.00 N ATOM 1041 CA TYR A 71 -6.041 13.357 -4.303 1.00 0.00 C ATOM 1042 C TYR A 71 -6.838 14.364 -3.480 1.00 0.00 C ATOM 1043 O TYR A 71 -7.903 14.045 -2.950 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.305 13.575 -5.793 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.782 12.461 -6.672 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.457 12.444 -7.090 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.613 11.426 -7.084 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.976 11.428 -7.893 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.139 10.407 -7.886 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.820 10.412 -8.288 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.344 9.399 -9.088 1.00 0.00 O ATOM 0 H TYR A 71 -7.306 11.686 -4.228 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.980 13.510 -4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.379 13.678 -5.952 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.846 14.515 -6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.793 13.238 -6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.647 11.419 -6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.944 11.430 -8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.798 9.610 -8.197 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.066 8.763 -9.274 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.316 15.582 -3.376 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.979 16.635 -2.617 1.00 0.00 C ATOM 1063 C ASP A 72 -8.310 17.014 -3.260 1.00 0.00 C ATOM 1064 O ASP A 72 -9.299 17.256 -2.567 1.00 0.00 O ATOM 1065 CB ASP A 72 -6.078 17.867 -2.520 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.214 17.854 -1.274 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -4.192 17.136 -1.267 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -5.559 18.563 -0.305 1.00 0.00 O ATOM 0 H ASP A 72 -5.436 15.864 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.175 16.257 -1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.439 17.917 -3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.695 18.766 -2.522 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.328 17.063 -4.587 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.538 17.411 -5.323 1.00 0.00 C ATOM 1075 C GLU A 73 -10.236 16.160 -5.851 1.00 0.00 C ATOM 1076 O GLU A 73 -9.594 15.138 -6.094 1.00 0.00 O ATOM 1077 CB GLU A 73 -9.202 18.350 -6.484 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.339 19.533 -6.080 1.00 0.00 C ATOM 1079 CD GLU A 73 -9.148 20.664 -5.473 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -9.714 21.469 -6.242 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -9.215 20.745 -4.229 1.00 0.00 O ATOM 0 H GLU A 73 -7.518 16.866 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.215 17.920 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.687 17.784 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.129 18.720 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.588 19.202 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.803 19.903 -6.954 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.565 16.225 -6.035 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.349 15.091 -6.537 1.00 0.00 C ATOM 1090 C PRO A 74 -12.067 14.799 -8.007 1.00 0.00 C ATOM 1091 O PRO A 74 -12.771 15.284 -8.893 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.797 15.549 -6.351 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.730 17.037 -6.386 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.408 17.406 -5.770 1.00 0.00 C ATOM 0 HA PRO A 74 -12.111 14.166 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.439 15.163 -7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.207 15.193 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.801 17.407 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.557 17.478 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.992 18.306 -6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.503 17.600 -4.702 1.00 0.00 H new ATOM 1102 N LEU A 75 -11.034 14.001 -8.259 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.660 13.645 -9.622 1.00 0.00 C ATOM 1104 C LEU A 75 -10.074 12.237 -9.675 1.00 0.00 C ATOM 1105 O LEU A 75 -9.215 11.942 -10.506 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.650 14.651 -10.176 1.00 0.00 C ATOM 1107 CG LEU A 75 -10.229 16.024 -10.524 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -9.134 17.079 -10.530 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -10.935 15.978 -11.870 1.00 0.00 C ATOM 0 H LEU A 75 -10.442 13.589 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.560 13.669 -10.237 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.854 14.784 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.193 14.229 -11.071 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.960 16.293 -9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.565 18.049 -10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.672 17.130 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.379 16.816 -11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.341 16.963 -12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.225 15.687 -12.644 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.746 15.251 -11.831 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.544 11.372 -8.782 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.056 10.006 -8.743 1.00 0.00 C ATOM 1123 C GLY A 76 -10.870 9.076 -9.621 1.00 0.00 C ATOM 1124 O GLY A 76 -11.463 9.505 -10.610 1.00 0.00 O ATOM 0 H GLY A 76 -11.255 11.593 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.015 9.986 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.079 9.644 -7.715 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.898 7.798 -9.258 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.645 6.805 -10.020 1.00 0.00 C ATOM 1130 C LYS A 77 -12.313 5.795 -9.091 1.00 0.00 C ATOM 1131 O LYS A 77 -13.504 5.511 -9.218 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.720 6.080 -10.999 1.00 0.00 C ATOM 1133 CG LYS A 77 -9.940 7.016 -11.906 1.00 0.00 C ATOM 1134 CD LYS A 77 -9.354 6.278 -13.098 1.00 0.00 C ATOM 1135 CE LYS A 77 -10.443 5.734 -14.007 1.00 0.00 C ATOM 1136 NZ LYS A 77 -10.716 4.293 -13.748 1.00 0.00 N ATOM 0 H LYS A 77 -10.412 7.426 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.422 7.324 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.018 5.465 -10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.314 5.403 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.595 7.814 -12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.138 7.488 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.710 6.951 -13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.728 5.458 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.358 6.308 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.146 5.866 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.273 3.717 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.323 4.026 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.743 4.129 -13.748 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.537 5.257 -8.156 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.052 4.279 -7.205 1.00 0.00 C ATOM 1152 C ASN A 78 -12.543 4.964 -5.933 1.00 0.00 C ATOM 1153 O ASN A 78 -12.356 6.167 -5.752 1.00 0.00 O ATOM 1154 CB ASN A 78 -10.971 3.254 -6.859 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.289 2.696 -8.094 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -9.062 2.640 -8.167 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.085 2.281 -9.073 1.00 0.00 N ATOM 0 H ASN A 78 -10.549 5.482 -8.037 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.894 3.766 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.226 3.719 -6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.417 2.436 -6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.684 1.897 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.098 2.346 -8.969 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.172 4.189 -5.055 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.691 4.722 -3.800 1.00 0.00 C ATOM 1166 C ASP A 79 -12.879 4.209 -2.615 1.00 0.00 C ATOM 1167 O ASP A 79 -12.666 4.926 -1.638 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.163 4.340 -3.629 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.412 2.868 -3.888 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.308 2.071 -2.931 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -15.711 2.510 -5.046 1.00 0.00 O ATOM 0 H ASP A 79 -13.335 3.191 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.607 5.808 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.485 4.588 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.771 4.934 -4.311 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.429 2.961 -2.708 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.646 2.374 -1.637 1.00 0.00 C ATOM 1178 C GLY A 80 -12.026 0.933 -1.361 1.00 0.00 C ATOM 1179 O GLY A 80 -11.204 0.146 -0.891 1.00 0.00 O ATOM 0 H GLY A 80 -12.593 2.347 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.588 2.424 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.780 2.962 -0.729 1.00 0.00 H new ATOM 1183 N SER A 81 -13.276 0.584 -1.653 1.00 0.00 N ATOM 1184 CA SER A 81 -13.762 -0.772 -1.432 1.00 0.00 C ATOM 1185 C SER A 81 -14.077 -1.460 -2.757 1.00 0.00 C ATOM 1186 O SER A 81 -14.947 -1.017 -3.507 1.00 0.00 O ATOM 1187 CB SER A 81 -15.009 -0.752 -0.547 1.00 0.00 C ATOM 1188 OG SER A 81 -14.669 -0.912 0.819 1.00 0.00 O ATOM 0 H SER A 81 -13.969 1.222 -2.043 1.00 0.00 H new ATOM 0 HA SER A 81 -12.976 -1.335 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.541 0.189 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.687 -1.549 -0.852 1.00 0.00 H new ATOM 0 HG SER A 81 -15.484 -0.894 1.363 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.364 -2.546 -3.039 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.567 -3.295 -4.274 1.00 0.00 C ATOM 1196 C VAL A 82 -13.890 -4.757 -3.982 1.00 0.00 C ATOM 1197 O VAL A 82 -13.108 -5.460 -3.343 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.327 -3.228 -5.187 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.651 -3.777 -6.568 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.809 -1.801 -5.281 1.00 0.00 C ATOM 0 H VAL A 82 -12.641 -2.927 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.410 -2.833 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.543 -3.846 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.764 -3.722 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.970 -4.816 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.451 -3.188 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.933 -1.774 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.587 -1.158 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.535 -1.447 -4.287 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.047 -5.207 -4.454 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.476 -6.585 -4.244 1.00 0.00 C ATOM 1212 C ASN A 83 -15.610 -6.893 -2.757 1.00 0.00 C ATOM 1213 O ASN A 83 -15.448 -8.037 -2.332 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.485 -7.554 -4.891 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.836 -7.858 -6.333 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.742 -9.002 -6.780 1.00 0.00 O ATOM 1217 ND2 ASN A 83 -15.243 -6.832 -7.071 1.00 0.00 N ATOM 0 H ASN A 83 -15.705 -4.637 -4.985 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.453 -6.710 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.482 -7.129 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.464 -8.483 -4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.493 -6.975 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.306 -5.901 -6.659 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.910 -5.865 -1.971 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.063 -6.045 -0.539 1.00 0.00 C ATOM 1226 C GLY A 84 -14.790 -5.742 0.227 1.00 0.00 C ATOM 1227 O GLY A 84 -14.839 -5.311 1.379 1.00 0.00 O ATOM 0 H GLY A 84 -16.050 -4.910 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.862 -5.397 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.369 -7.071 -0.336 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.646 -5.968 -0.412 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.356 -5.717 0.219 1.00 0.00 C ATOM 1233 C LYS A 85 -12.094 -4.221 0.346 1.00 0.00 C ATOM 1234 O LYS A 85 -12.354 -3.453 -0.581 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.235 -6.378 -0.586 1.00 0.00 C ATOM 1236 CG LYS A 85 -9.906 -6.425 0.150 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.196 -7.753 -0.065 1.00 0.00 C ATOM 1238 CE LYS A 85 -9.417 -8.698 1.106 1.00 0.00 C ATOM 1239 NZ LYS A 85 -10.821 -9.191 1.165 1.00 0.00 N ATOM 0 H LYS A 85 -13.587 -6.324 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.378 -6.148 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.534 -7.394 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.103 -5.837 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.269 -5.611 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.073 -6.269 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.559 -8.217 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.128 -7.579 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.738 -9.546 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.173 -8.186 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.930 -9.832 1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.468 -8.384 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.047 -9.702 0.288 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.575 -3.812 1.500 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.276 -2.407 1.750 1.00 0.00 C ATOM 1255 C ARG A 86 -9.770 -2.170 1.788 1.00 0.00 C ATOM 1256 O ARG A 86 -9.011 -3.014 2.265 1.00 0.00 O ATOM 1257 CB ARG A 86 -11.909 -1.956 3.068 1.00 0.00 C ATOM 1258 CG ARG A 86 -11.747 -0.469 3.342 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.872 0.061 4.216 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.011 0.518 3.425 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.961 1.327 3.889 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -14.911 1.769 5.140 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -15.963 1.694 3.103 1.00 0.00 N ATOM 0 H ARG A 86 -11.353 -4.435 2.277 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.697 -1.821 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.971 -2.201 3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.462 -2.519 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.789 -0.290 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.730 0.076 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.197 -0.721 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.500 0.885 4.825 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.083 0.198 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.143 1.489 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.641 2.389 5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.007 1.357 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.690 2.314 3.460 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.344 -1.018 1.283 1.00 0.00 N ATOM 1278 CA TYR A 87 -7.927 -0.670 1.259 1.00 0.00 C ATOM 1279 C TYR A 87 -7.664 0.601 2.062 1.00 0.00 C ATOM 1280 O TYR A 87 -6.678 0.690 2.794 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.451 -0.485 -0.182 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.675 -1.699 -1.056 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.959 -2.140 -1.349 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.602 -2.404 -1.586 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.168 -3.249 -2.145 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.803 -3.515 -2.383 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.087 -3.933 -2.659 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.291 -5.038 -3.453 1.00 0.00 O ATOM 0 H TYR A 87 -9.959 -0.309 0.884 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.370 -1.488 1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.969 0.368 -0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.388 -0.243 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.808 -1.607 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.595 -2.079 -1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.173 -3.579 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.958 -4.053 -2.787 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.226 -5.062 -3.746 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.552 1.579 1.921 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.415 2.844 2.634 1.00 0.00 C ATOM 1300 C PHE A 88 -9.781 3.405 3.015 1.00 0.00 C ATOM 1301 O PHE A 88 -10.815 2.811 2.707 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.656 3.858 1.776 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.319 4.144 0.457 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.387 5.024 0.381 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.874 3.533 -0.703 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.998 5.290 -0.829 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.482 3.794 -1.917 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.545 4.674 -1.979 1.00 0.00 C ATOM 0 H PHE A 88 -9.374 1.520 1.320 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.851 2.657 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.555 4.790 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.648 3.485 1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.746 5.507 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.043 2.845 -0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.829 5.979 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.127 3.311 -2.815 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.021 4.880 -2.926 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.778 4.552 3.686 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.017 5.193 4.109 1.00 0.00 C ATOM 1320 C GLU A 89 -11.221 6.518 3.381 1.00 0.00 C ATOM 1321 O GLU A 89 -10.518 7.495 3.640 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.004 5.428 5.621 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.520 4.245 6.424 1.00 0.00 C ATOM 1324 CD GLU A 89 -10.655 3.936 7.629 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.424 4.853 8.445 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -10.207 2.777 7.757 1.00 0.00 O ATOM 0 H GLU A 89 -8.931 5.056 3.948 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.844 4.529 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.986 5.654 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.611 6.304 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.538 4.452 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.567 3.367 5.780 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.187 6.543 2.469 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.484 7.748 1.704 1.00 0.00 C ATOM 1335 C CYS A 90 -13.728 7.553 0.845 1.00 0.00 C ATOM 1336 O CYS A 90 -14.322 6.474 0.830 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.293 8.123 0.819 1.00 0.00 C ATOM 1338 SG CYS A 90 -11.004 9.904 0.687 1.00 0.00 S ATOM 0 H CYS A 90 -12.777 5.743 2.242 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.673 8.558 2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.395 7.648 1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.454 7.717 -0.180 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.041 10.248 1.490 1.00 0.00 H new ATOM 1344 N GLN A 91 -14.119 8.603 0.131 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.294 8.547 -0.730 1.00 0.00 C ATOM 1346 C GLN A 91 -14.904 8.186 -2.161 1.00 0.00 C ATOM 1347 O GLN A 91 -13.757 7.825 -2.429 1.00 0.00 O ATOM 1348 CB GLN A 91 -16.032 9.888 -0.709 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.418 9.808 -0.089 1.00 0.00 C ATOM 1350 CD GLN A 91 -18.447 9.225 -1.038 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -19.063 8.198 -0.751 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.639 9.881 -2.177 1.00 0.00 N ATOM 0 H GLN A 91 -13.639 9.503 0.132 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.957 7.771 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.436 10.613 -0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -16.120 10.261 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.374 9.198 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.734 10.806 0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.106 10.728 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -19.319 9.537 -2.855 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.863 8.285 -3.075 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.620 7.969 -4.475 1.00 0.00 C ATOM 1363 C ALA A 92 -15.026 9.164 -5.213 1.00 0.00 C ATOM 1364 O ALA A 92 -15.180 10.308 -4.785 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.908 7.520 -5.147 1.00 0.00 C ATOM 0 H ALA A 92 -16.817 8.582 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.898 7.153 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.710 7.287 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.291 6.632 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.648 8.318 -5.086 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.348 8.893 -6.322 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.731 9.946 -7.119 1.00 0.00 C ATOM 1373 C LYS A 93 -12.706 10.721 -6.298 1.00 0.00 C ATOM 1374 O LYS A 93 -12.495 11.914 -6.514 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.801 10.902 -7.652 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.491 10.403 -8.911 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.543 9.355 -8.591 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.814 9.988 -8.047 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.332 11.055 -8.948 1.00 0.00 N ATOM 0 H LYS A 93 -14.212 7.952 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.218 9.478 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.550 11.064 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.342 11.869 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.957 11.242 -9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.750 9.981 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.776 8.785 -9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.145 8.650 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.576 9.219 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.617 10.409 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.372 11.051 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.983 11.980 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.003 10.879 -9.919 1.00 0.00 H new ATOM 1393 N TYR A 94 -12.070 10.033 -5.355 1.00 0.00 N ATOM 1394 CA TYR A 94 -11.066 10.657 -4.500 1.00 0.00 C ATOM 1395 C TYR A 94 -9.853 9.747 -4.329 1.00 0.00 C ATOM 1396 O TYR A 94 -8.712 10.189 -4.455 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.666 10.988 -3.133 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.269 12.373 -3.055 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.483 13.505 -3.234 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.623 12.548 -2.801 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -12.031 14.771 -3.163 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -14.179 13.811 -2.729 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.378 14.919 -2.912 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.927 16.179 -2.840 1.00 0.00 O ATOM 0 H TYR A 94 -12.232 9.044 -5.164 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.740 11.580 -4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.434 10.252 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.890 10.895 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.427 13.393 -3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.252 11.682 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.407 15.641 -3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -15.234 13.930 -2.531 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.887 16.108 -2.658 1.00 0.00 H new ATOM 1414 N GLY A 95 -10.109 8.475 -4.042 1.00 0.00 N ATOM 1415 CA GLY A 95 -9.028 7.524 -3.858 1.00 0.00 C ATOM 1416 C GLY A 95 -8.873 6.584 -5.037 1.00 0.00 C ATOM 1417 O GLY A 95 -9.553 5.562 -5.117 1.00 0.00 O ATOM 0 H GLY A 95 -11.045 8.086 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.095 8.066 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.211 6.942 -2.955 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.976 6.932 -5.954 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.733 6.110 -7.135 1.00 0.00 C ATOM 1423 C ALA A 96 -6.616 5.103 -6.882 1.00 0.00 C ATOM 1424 O ALA A 96 -5.626 5.412 -6.218 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.392 6.991 -8.328 1.00 0.00 C ATOM 0 H ALA A 96 -7.406 7.776 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.644 5.554 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.213 6.366 -9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.222 7.668 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.496 7.571 -8.107 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.782 3.897 -7.416 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.786 2.845 -7.249 1.00 0.00 C ATOM 1433 C PHE A 97 -4.808 2.829 -8.419 1.00 0.00 C ATOM 1434 O PHE A 97 -5.168 2.459 -9.537 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.470 1.483 -7.122 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.143 1.269 -5.796 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.418 1.336 -4.617 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.501 1.002 -5.729 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.034 1.140 -3.396 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.124 0.806 -4.511 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.388 0.874 -3.343 1.00 0.00 C ATOM 0 H PHE A 97 -7.596 3.624 -7.967 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.227 3.050 -6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.210 1.382 -7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.729 0.698 -7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.359 1.544 -4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.079 0.946 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.457 1.195 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.183 0.600 -4.472 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.871 0.719 -2.390 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.570 3.234 -8.154 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.539 3.265 -9.185 1.00 0.00 C ATOM 1453 C VAL A 98 -1.446 2.242 -8.899 1.00 0.00 C ATOM 1454 O VAL A 98 -1.290 1.784 -7.767 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.901 4.662 -9.302 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.841 5.621 -10.016 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.526 5.195 -7.928 1.00 0.00 C ATOM 0 H VAL A 98 -3.257 3.545 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.028 3.018 -10.128 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.990 4.576 -9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.373 6.603 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.053 5.245 -11.017 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.772 5.704 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.077 6.183 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.420 5.266 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.812 4.519 -7.458 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.690 1.886 -9.934 1.00 0.00 N ATOM 1468 CA LYS A 99 0.389 0.915 -9.794 1.00 0.00 C ATOM 1469 C LYS A 99 1.682 1.594 -9.347 1.00 0.00 C ATOM 1470 O LYS A 99 1.942 2.742 -9.699 1.00 0.00 O ATOM 1471 CB LYS A 99 0.615 0.180 -11.116 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.642 -0.465 -11.677 1.00 0.00 C ATOM 1473 CD LYS A 99 -1.104 -1.627 -10.814 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.548 -2.952 -11.313 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.609 -3.813 -11.904 1.00 0.00 N ATOM 0 H LYS A 99 -0.805 2.255 -10.878 1.00 0.00 H new ATOM 0 HA LYS A 99 0.098 0.194 -9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.011 0.882 -11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.373 -0.589 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.436 0.279 -11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.450 -0.817 -12.691 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.787 -1.464 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.193 -1.667 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.224 -2.764 -12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.071 -3.479 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.353 -4.813 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.514 -3.626 -11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.703 -3.601 -12.918 1.00 0.00 H new ATOM 1489 N PRO A 100 2.512 0.884 -8.558 1.00 0.00 N ATOM 1490 CA PRO A 100 3.782 1.422 -8.069 1.00 0.00 C ATOM 1491 C PRO A 100 4.563 2.095 -9.185 1.00 0.00 C ATOM 1492 O PRO A 100 4.981 3.247 -9.064 1.00 0.00 O ATOM 1493 CB PRO A 100 4.518 0.182 -7.564 1.00 0.00 C ATOM 1494 CG PRO A 100 3.433 -0.754 -7.155 1.00 0.00 C ATOM 1495 CD PRO A 100 2.280 -0.497 -8.089 1.00 0.00 C ATOM 0 HA PRO A 100 3.649 2.186 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.145 -0.253 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.172 0.422 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.766 -1.790 -7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.140 -0.582 -6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.270 -1.205 -8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.322 -0.591 -7.578 1.00 0.00 H new ATOM 1503 N SER A 101 4.731 1.371 -10.288 1.00 0.00 N ATOM 1504 CA SER A 101 5.432 1.903 -11.446 1.00 0.00 C ATOM 1505 C SER A 101 4.765 3.196 -11.898 1.00 0.00 C ATOM 1506 O SER A 101 5.395 4.050 -12.521 1.00 0.00 O ATOM 1507 CB SER A 101 5.436 0.884 -12.587 1.00 0.00 C ATOM 1508 OG SER A 101 6.576 0.044 -12.518 1.00 0.00 O ATOM 0 H SER A 101 4.391 0.416 -10.401 1.00 0.00 H new ATOM 0 HA SER A 101 6.466 2.109 -11.168 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.531 0.278 -12.541 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.422 1.405 -13.544 1.00 0.00 H new ATOM 0 HG SER A 101 6.554 -0.599 -13.257 1.00 0.00 H new ATOM 1514 N ALA A 102 3.483 3.337 -11.558 1.00 0.00 N ATOM 1515 CA ALA A 102 2.731 4.531 -11.907 1.00 0.00 C ATOM 1516 C ALA A 102 2.858 5.585 -10.811 1.00 0.00 C ATOM 1517 O ALA A 102 2.520 6.751 -11.017 1.00 0.00 O ATOM 1518 CB ALA A 102 1.268 4.185 -12.146 1.00 0.00 C ATOM 0 H ALA A 102 2.949 2.637 -11.042 1.00 0.00 H new ATOM 0 HA ALA A 102 3.145 4.942 -12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.718 5.089 -12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.193 3.467 -12.962 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.844 3.751 -11.241 1.00 0.00 H new ATOM 1524 N VAL A 103 3.352 5.169 -9.645 1.00 0.00 N ATOM 1525 CA VAL A 103 3.525 6.083 -8.521 1.00 0.00 C ATOM 1526 C VAL A 103 4.988 6.487 -8.367 1.00 0.00 C ATOM 1527 O VAL A 103 5.887 5.795 -8.844 1.00 0.00 O ATOM 1528 CB VAL A 103 3.037 5.452 -7.202 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.081 6.470 -6.073 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.634 4.886 -7.364 1.00 0.00 C ATOM 0 H VAL A 103 3.638 4.208 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 103 2.924 6.967 -8.735 1.00 0.00 H new ATOM 0 HB VAL A 103 3.707 4.631 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.733 6.005 -5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.104 6.821 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.437 7.315 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.308 4.445 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.949 5.686 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.638 4.121 -8.140 1.00 0.00 H new ATOM 1540 N THR A 104 5.219 7.612 -7.698 1.00 0.00 N ATOM 1541 CA THR A 104 6.574 8.108 -7.482 1.00 0.00 C ATOM 1542 C THR A 104 6.685 8.816 -6.136 1.00 0.00 C ATOM 1543 O THR A 104 6.132 9.899 -5.946 1.00 0.00 O ATOM 1544 CB THR A 104 6.976 9.062 -8.608 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.667 8.503 -9.873 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.451 9.402 -8.605 1.00 0.00 C ATOM 0 H THR A 104 4.486 8.197 -7.296 1.00 0.00 H new ATOM 0 HA THR A 104 7.251 7.254 -7.480 1.00 0.00 H new ATOM 0 HB THR A 104 6.408 9.975 -8.430 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.930 9.128 -10.580 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.669 10.082 -9.428 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.712 9.880 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.035 8.489 -8.724 1.00 0.00 H new ATOM 1554 N VAL A 105 7.404 8.198 -5.204 1.00 0.00 N ATOM 1555 CA VAL A 105 7.588 8.769 -3.877 1.00 0.00 C ATOM 1556 C VAL A 105 8.536 9.964 -3.919 1.00 0.00 C ATOM 1557 O VAL A 105 9.522 9.960 -4.656 1.00 0.00 O ATOM 1558 CB VAL A 105 8.138 7.727 -2.886 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.131 8.280 -1.468 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.336 6.437 -2.967 1.00 0.00 C ATOM 0 H VAL A 105 7.869 7.301 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 105 6.606 9.098 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 105 9.170 7.504 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.523 7.529 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.754 9.173 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.111 8.535 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.740 5.713 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.293 6.641 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.400 6.032 -3.977 1.00 0.00 H new ATOM 1570 N GLY A 106 8.231 10.985 -3.125 1.00 0.00 N ATOM 1571 CA GLY A 106 9.066 12.171 -3.088 1.00 0.00 C ATOM 1572 C GLY A 106 8.767 13.055 -1.894 1.00 0.00 C ATOM 1573 O GLY A 106 8.761 14.282 -2.006 1.00 0.00 O ATOM 0 H GLY A 106 7.420 11.012 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.114 11.873 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.920 12.743 -4.005 1.00 0.00 H new ATOM 1577 N ASP A 107 8.519 12.432 -0.746 1.00 0.00 N ATOM 1578 CA ASP A 107 8.218 13.171 0.475 1.00 0.00 C ATOM 1579 C ASP A 107 8.583 12.353 1.710 1.00 0.00 C ATOM 1580 O ASP A 107 9.367 12.794 2.550 1.00 0.00 O ATOM 1581 CB ASP A 107 6.734 13.550 0.514 1.00 0.00 C ATOM 1582 CG ASP A 107 6.522 15.050 0.596 1.00 0.00 C ATOM 1583 OD1 ASP A 107 6.832 15.748 -0.392 1.00 0.00 O ATOM 1584 OD2 ASP A 107 6.046 15.524 1.648 1.00 0.00 O ATOM 0 H ASP A 107 8.521 11.418 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 107 8.817 14.082 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.240 13.164 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.262 13.072 1.372 1.00 0.00 H new ATOM 1589 N SER A 108 8.009 11.158 1.812 1.00 0.00 N ATOM 1590 CA SER A 108 8.274 10.278 2.944 1.00 0.00 C ATOM 1591 C SER A 108 7.854 10.936 4.255 1.00 0.00 C ATOM 1592 O SER A 108 7.377 12.070 4.267 1.00 0.00 O ATOM 1593 CB SER A 108 9.759 9.910 2.993 1.00 0.00 C ATOM 1594 OG SER A 108 9.958 8.545 2.664 1.00 0.00 O ATOM 0 H SER A 108 7.358 10.778 1.125 1.00 0.00 H new ATOM 0 HA SER A 108 7.687 9.369 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.316 10.539 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.153 10.108 3.990 1.00 0.00 H new ATOM 0 HG SER A 108 10.915 8.336 2.701 1.00 0.00 H new ATOM 1600 N GLY A 109 8.037 10.215 5.356 1.00 0.00 N ATOM 1601 CA GLY A 109 7.672 10.744 6.658 1.00 0.00 C ATOM 1602 C GLY A 109 6.182 10.648 6.927 1.00 0.00 C ATOM 1603 O GLY A 109 5.457 11.630 6.770 1.00 0.00 O ATOM 0 H GLY A 109 8.431 9.274 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.213 10.200 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.983 11.787 6.723 1.00 0.00 H new ATOM 1607 N PRO A 110 5.691 9.466 7.338 1.00 0.00 N ATOM 1608 CA PRO A 110 4.267 9.260 7.628 1.00 0.00 C ATOM 1609 C PRO A 110 3.822 9.994 8.888 1.00 0.00 C ATOM 1610 O PRO A 110 4.610 10.199 9.810 1.00 0.00 O ATOM 1611 CB PRO A 110 4.159 7.747 7.824 1.00 0.00 C ATOM 1612 CG PRO A 110 5.520 7.322 8.256 1.00 0.00 C ATOM 1613 CD PRO A 110 6.483 8.240 7.553 1.00 0.00 C ATOM 0 HA PRO A 110 3.629 9.646 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 110 3.410 7.498 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 110 3.863 7.248 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 110 5.628 7.398 9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 110 5.707 6.282 7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.368 8.434 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 110 6.829 7.815 6.611 1.00 0.00 H new ATOM 1621 N SER A 111 2.554 10.388 8.919 1.00 0.00 N ATOM 1622 CA SER A 111 2.002 11.100 10.067 1.00 0.00 C ATOM 1623 C SER A 111 0.543 10.717 10.294 1.00 0.00 C ATOM 1624 O SER A 111 -0.146 10.280 9.372 1.00 0.00 O ATOM 1625 CB SER A 111 2.119 12.611 9.860 1.00 0.00 C ATOM 1626 OG SER A 111 3.263 12.934 9.088 1.00 0.00 O ATOM 0 H SER A 111 1.889 10.227 8.163 1.00 0.00 H new ATOM 0 HA SER A 111 2.575 10.816 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.224 12.983 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.177 13.110 10.827 1.00 0.00 H new ATOM 0 HG SER A 111 3.314 13.905 8.969 1.00 0.00 H new ATOM 1632 N SER A 112 0.078 10.886 11.528 1.00 0.00 N ATOM 1633 CA SER A 112 -1.300 10.558 11.876 1.00 0.00 C ATOM 1634 C SER A 112 -2.104 11.822 12.163 1.00 0.00 C ATOM 1635 O SER A 112 -2.115 12.320 13.289 1.00 0.00 O ATOM 1636 CB SER A 112 -1.334 9.631 13.092 1.00 0.00 C ATOM 1637 OG SER A 112 -0.694 10.228 14.207 1.00 0.00 O ATOM 0 H SER A 112 0.634 11.248 12.303 1.00 0.00 H new ATOM 0 HA SER A 112 -1.752 10.047 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.368 9.396 13.345 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.843 8.689 12.849 1.00 0.00 H new ATOM 0 HG SER A 112 -0.952 11.171 14.266 1.00 0.00 H new ATOM 1643 N GLY A 113 -2.776 12.336 11.138 1.00 0.00 N ATOM 1644 CA GLY A 113 -3.574 13.537 11.301 1.00 0.00 C ATOM 1645 C GLY A 113 -3.244 14.597 10.267 1.00 0.00 C ATOM 1646 O GLY A 113 -3.436 14.332 9.062 1.00 0.00 O ATOM 1647 OXT GLY A 113 -2.792 15.692 10.664 1.00 0.00 O ATOM 0 H GLY A 113 -2.782 11.942 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.631 13.280 11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.412 13.944 12.299 1.00 0.00 H new TER 1651 GLY A 113