USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 82 CYS SG : rot 133:sc= -4.47 USER MOD Set 1.2: A 93 SER OG : rot 27:sc= -4.93! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 13 SER OG : rot 48:sc= 0.544 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -4.97! C(o=-5!,f=-11!) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 29:sc= -0.0697 USER MOD Single : A 25 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.0058) USER MOD Single : A 30 ASN : amide:sc=-0.00294 X(o=-0.0029,f=0) USER MOD Single : A 31 THR OG1 : rot -130:sc= 1.12 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -75:sc= 1.49 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 4:sc= 0.517 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0211 (180deg=-0.254) USER MOD Single : A 71 GLN : amide:sc=-0.00453 X(o=-0.0045,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.595 K(o=-0.6,f=-3!) USER MOD Single : A 85 ASN : amide:sc= -0.887 K(o=-0.89,f=-2.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -39:sc= 0.0372 USER MOD Single : A 95 SER OG : rot -71:sc= 1.14 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 0.426 -4.362 -3.922 1.00 0.00 N ATOM 32 CA LEU A 9 -0.798 -5.080 -3.611 1.00 0.00 C ATOM 33 C LEU A 9 -0.644 -5.778 -2.258 1.00 0.00 C ATOM 34 O LEU A 9 -1.574 -5.789 -1.452 1.00 0.00 O ATOM 35 CB LEU A 9 -1.168 -6.029 -4.753 1.00 0.00 C ATOM 36 CG LEU A 9 -0.901 -5.512 -6.168 1.00 0.00 C ATOM 37 CD1 LEU A 9 -1.542 -6.424 -7.215 1.00 0.00 C ATOM 38 CD2 LEU A 9 -1.357 -4.059 -6.316 1.00 0.00 C ATOM 0 HA LEU A 9 -1.634 -4.386 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.618 -6.960 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.228 -6.270 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 9 0.175 -5.531 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.337 -6.034 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.127 -7.428 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.619 -6.461 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.156 -3.716 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.426 -3.991 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.814 -3.433 -5.607 1.00 0.00 H new ATOM 50 N THR A 10 0.536 -6.342 -2.049 1.00 0.00 N ATOM 51 CA THR A 10 0.823 -7.040 -0.808 1.00 0.00 C ATOM 52 C THR A 10 0.391 -6.194 0.392 1.00 0.00 C ATOM 53 O THR A 10 -0.471 -6.604 1.167 1.00 0.00 O ATOM 54 CB THR A 10 2.312 -7.393 -0.797 1.00 0.00 C ATOM 55 OG1 THR A 10 2.408 -8.520 -1.664 1.00 0.00 O ATOM 56 CG2 THR A 10 2.778 -7.926 0.559 1.00 0.00 C ATOM 0 H THR A 10 1.305 -6.330 -2.719 1.00 0.00 H new ATOM 0 HA THR A 10 0.254 -7.967 -0.735 1.00 0.00 H new ATOM 0 HB THR A 10 2.896 -6.511 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.341 -8.814 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.841 -8.161 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.607 -7.170 1.325 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.218 -8.828 0.808 1.00 0.00 H new ATOM 64 N GLN A 11 1.011 -5.028 0.507 1.00 0.00 N ATOM 65 CA GLN A 11 0.701 -4.121 1.599 1.00 0.00 C ATOM 66 C GLN A 11 -0.661 -3.461 1.371 1.00 0.00 C ATOM 67 O GLN A 11 -1.370 -3.147 2.326 1.00 0.00 O ATOM 68 CB GLN A 11 1.799 -3.068 1.765 1.00 0.00 C ATOM 69 CG GLN A 11 2.598 -3.307 3.048 1.00 0.00 C ATOM 70 CD GLN A 11 3.094 -1.986 3.639 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.656 -1.144 2.958 1.00 0.00 O ATOM 72 NE2 GLN A 11 2.856 -1.852 4.941 1.00 0.00 N ATOM 0 H GLN A 11 1.726 -4.691 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 11 0.653 -4.698 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.468 -3.096 0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.353 -2.074 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.975 -3.825 3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.447 -3.956 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.381 -2.596 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.149 -1.005 5.429 1.00 0.00 H new ATOM 81 N LEU A 12 -0.985 -3.271 0.100 1.00 0.00 N ATOM 82 CA LEU A 12 -2.249 -2.655 -0.265 1.00 0.00 C ATOM 83 C LEU A 12 -3.387 -3.352 0.484 1.00 0.00 C ATOM 84 O LEU A 12 -4.281 -2.694 1.014 1.00 0.00 O ATOM 85 CB LEU A 12 -2.424 -2.652 -1.785 1.00 0.00 C ATOM 86 CG LEU A 12 -3.277 -1.518 -2.359 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.495 -1.246 -1.475 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.437 -0.259 -2.582 1.00 0.00 C ATOM 0 H LEU A 12 -0.394 -3.533 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.263 -1.608 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.437 -2.606 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.870 -3.601 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.651 -1.832 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.084 -0.436 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.107 -2.146 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.164 -0.962 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.067 0.531 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.013 0.069 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.631 -0.479 -3.282 1.00 0.00 H new ATOM 100 N SER A 13 -3.316 -4.675 0.503 1.00 0.00 N ATOM 101 CA SER A 13 -4.329 -5.469 1.178 1.00 0.00 C ATOM 102 C SER A 13 -3.875 -6.927 1.272 1.00 0.00 C ATOM 103 O SER A 13 -4.559 -7.826 0.787 1.00 0.00 O ATOM 104 CB SER A 13 -5.674 -5.378 0.453 1.00 0.00 C ATOM 105 OG SER A 13 -6.543 -4.424 1.059 1.00 0.00 O ATOM 0 H SER A 13 -2.573 -5.217 0.062 1.00 0.00 H new ATOM 0 HA SER A 13 -4.461 -5.071 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.507 -5.106 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.153 -6.357 0.454 1.00 0.00 H new ATOM 0 HG SER A 13 -6.053 -3.590 1.218 1.00 0.00 H new ATOM 111 N SER A 14 -2.723 -7.115 1.899 1.00 0.00 N ATOM 112 CA SER A 14 -2.169 -8.448 2.062 1.00 0.00 C ATOM 113 C SER A 14 -1.970 -9.104 0.694 1.00 0.00 C ATOM 114 O SER A 14 -1.800 -10.318 0.603 1.00 0.00 O ATOM 115 CB SER A 14 -3.073 -9.316 2.940 1.00 0.00 C ATOM 116 OG SER A 14 -2.413 -9.742 4.129 1.00 0.00 O ATOM 0 H SER A 14 -2.158 -6.366 2.300 1.00 0.00 H new ATOM 0 HA SER A 14 -1.203 -8.358 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.969 -8.755 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.399 -10.189 2.374 1.00 0.00 H new ATOM 0 HG SER A 14 -3.024 -10.292 4.663 1.00 0.00 H new ATOM 122 N GLY A 15 -1.997 -8.270 -0.335 1.00 0.00 N ATOM 123 CA GLY A 15 -1.821 -8.753 -1.694 1.00 0.00 C ATOM 124 C GLY A 15 -3.049 -9.539 -2.160 1.00 0.00 C ATOM 125 O GLY A 15 -2.917 -10.574 -2.811 1.00 0.00 O ATOM 0 H GLY A 15 -2.138 -7.263 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.648 -7.911 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.937 -9.388 -1.746 1.00 0.00 H new ATOM 129 N ASN A 16 -4.215 -9.017 -1.807 1.00 0.00 N ATOM 130 CA ASN A 16 -5.465 -9.657 -2.180 1.00 0.00 C ATOM 131 C ASN A 16 -5.588 -9.674 -3.705 1.00 0.00 C ATOM 132 O ASN A 16 -5.511 -8.629 -4.349 1.00 0.00 O ATOM 133 CB ASN A 16 -6.664 -8.893 -1.617 1.00 0.00 C ATOM 134 CG ASN A 16 -7.709 -9.855 -1.048 1.00 0.00 C ATOM 135 OD1 ASN A 16 -7.706 -11.045 -1.316 1.00 0.00 O ATOM 136 ND2 ASN A 16 -8.600 -9.275 -0.249 1.00 0.00 N ATOM 0 H ASN A 16 -4.320 -8.158 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.460 -10.669 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.330 -8.210 -0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.114 -8.285 -2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.338 -9.832 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.545 -8.273 -0.066 1.00 0.00 H new ATOM 143 N PRO A 17 -5.783 -10.903 -4.252 1.00 0.00 N ATOM 144 CA PRO A 17 -5.919 -11.070 -5.690 1.00 0.00 C ATOM 145 C PRO A 17 -7.294 -10.600 -6.169 1.00 0.00 C ATOM 146 O PRO A 17 -7.465 -10.263 -7.339 1.00 0.00 O ATOM 147 CB PRO A 17 -5.676 -12.550 -5.939 1.00 0.00 C ATOM 148 CG PRO A 17 -5.874 -13.236 -4.597 1.00 0.00 C ATOM 149 CD PRO A 17 -5.880 -12.163 -3.521 1.00 0.00 C ATOM 0 HA PRO A 17 -5.209 -10.464 -6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.370 -12.940 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.670 -12.722 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.812 -13.792 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.075 -13.955 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.791 -12.205 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.043 -12.287 -2.834 1.00 0.00 H new ATOM 157 N VAL A 18 -8.238 -10.594 -5.240 1.00 0.00 N ATOM 158 CA VAL A 18 -9.593 -10.171 -5.553 1.00 0.00 C ATOM 159 C VAL A 18 -9.541 -8.957 -6.483 1.00 0.00 C ATOM 160 O VAL A 18 -10.207 -8.935 -7.517 1.00 0.00 O ATOM 161 CB VAL A 18 -10.369 -9.902 -4.262 1.00 0.00 C ATOM 162 CG1 VAL A 18 -9.570 -9.000 -3.320 1.00 0.00 C ATOM 163 CG2 VAL A 18 -11.743 -9.301 -4.563 1.00 0.00 C ATOM 0 H VAL A 18 -8.092 -10.875 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.128 -10.962 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.524 -10.857 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.144 -8.825 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.627 -9.484 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.369 -8.048 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.273 -9.120 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.619 -8.360 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.317 -9.995 -5.177 1.00 0.00 H new ATOM 173 N TYR A 19 -8.745 -7.977 -6.082 1.00 0.00 N ATOM 174 CA TYR A 19 -8.598 -6.763 -6.866 1.00 0.00 C ATOM 175 C TYR A 19 -7.915 -7.054 -8.204 1.00 0.00 C ATOM 176 O TYR A 19 -8.255 -6.454 -9.222 1.00 0.00 O ATOM 177 CB TYR A 19 -7.704 -5.834 -6.042 1.00 0.00 C ATOM 178 CG TYR A 19 -8.454 -5.034 -4.976 1.00 0.00 C ATOM 179 CD1 TYR A 19 -8.765 -5.620 -3.765 1.00 0.00 C ATOM 180 CD2 TYR A 19 -8.820 -3.727 -5.224 1.00 0.00 C ATOM 181 CE1 TYR A 19 -9.471 -4.867 -2.761 1.00 0.00 C ATOM 182 CE2 TYR A 19 -9.526 -2.974 -4.220 1.00 0.00 C ATOM 183 CZ TYR A 19 -9.817 -3.581 -3.038 1.00 0.00 C ATOM 184 OH TYR A 19 -10.484 -2.870 -2.090 1.00 0.00 O ATOM 0 H TYR A 19 -8.195 -7.999 -5.224 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.572 -6.324 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.929 -6.428 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.200 -5.140 -6.715 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.479 -6.643 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.577 -3.269 -6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.720 -5.313 -1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.818 -1.950 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.041 -2.006 -1.957 1.00 0.00 H new ATOM 194 N GLU A 20 -6.964 -7.976 -8.159 1.00 0.00 N ATOM 195 CA GLU A 20 -6.230 -8.353 -9.354 1.00 0.00 C ATOM 196 C GLU A 20 -7.201 -8.731 -10.476 1.00 0.00 C ATOM 197 O GLU A 20 -6.972 -8.398 -11.637 1.00 0.00 O ATOM 198 CB GLU A 20 -5.258 -9.498 -9.062 1.00 0.00 C ATOM 199 CG GLU A 20 -3.809 -9.053 -9.271 1.00 0.00 C ATOM 200 CD GLU A 20 -3.242 -9.624 -10.573 1.00 0.00 C ATOM 201 OE1 GLU A 20 -4.008 -9.958 -11.488 1.00 0.00 O ATOM 202 OE2 GLU A 20 -1.956 -9.715 -10.614 1.00 0.00 O ATOM 0 H GLU A 20 -6.685 -8.473 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.642 -7.496 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.392 -9.841 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.480 -10.344 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.759 -7.964 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.199 -9.382 -8.430 1.00 0.00 H new ATOM 210 N LYS A 21 -8.263 -9.421 -10.088 1.00 0.00 N ATOM 211 CA LYS A 21 -9.269 -9.847 -11.046 1.00 0.00 C ATOM 212 C LYS A 21 -9.646 -8.666 -11.943 1.00 0.00 C ATOM 213 O LYS A 21 -9.433 -8.709 -13.153 1.00 0.00 O ATOM 214 CB LYS A 21 -10.463 -10.477 -10.325 1.00 0.00 C ATOM 215 CG LYS A 21 -10.744 -11.884 -10.856 1.00 0.00 C ATOM 216 CD LYS A 21 -11.975 -12.490 -10.180 1.00 0.00 C ATOM 217 CE LYS A 21 -11.948 -14.017 -10.258 1.00 0.00 C ATOM 218 NZ LYS A 21 -11.624 -14.598 -8.935 1.00 0.00 N ATOM 0 H LYS A 21 -8.449 -9.696 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.870 -10.626 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.264 -10.522 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.345 -9.851 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.899 -11.845 -11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.878 -12.522 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.013 -12.176 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.879 -12.114 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.916 -14.387 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.209 -14.337 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.610 -15.636 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.691 -14.259 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.344 -14.308 -8.243 1.00 0.00 H new ATOM 229 N TYR A 22 -10.199 -7.640 -11.314 1.00 0.00 N ATOM 230 CA TYR A 22 -10.607 -6.449 -12.040 1.00 0.00 C ATOM 231 C TYR A 22 -9.423 -5.826 -12.782 1.00 0.00 C ATOM 232 O TYR A 22 -9.530 -5.495 -13.962 1.00 0.00 O ATOM 233 CB TYR A 22 -11.108 -5.462 -10.984 1.00 0.00 C ATOM 234 CG TYR A 22 -12.084 -6.071 -9.975 1.00 0.00 C ATOM 235 CD1 TYR A 22 -13.153 -6.824 -10.417 1.00 0.00 C ATOM 236 CD2 TYR A 22 -11.895 -5.868 -8.623 1.00 0.00 C ATOM 237 CE1 TYR A 22 -14.071 -7.398 -9.468 1.00 0.00 C ATOM 238 CE2 TYR A 22 -12.814 -6.442 -7.674 1.00 0.00 C ATOM 239 CZ TYR A 22 -13.856 -7.178 -8.143 1.00 0.00 C ATOM 240 OH TYR A 22 -14.724 -7.720 -7.247 1.00 0.00 O ATOM 0 H TYR A 22 -10.374 -7.608 -10.310 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.370 -6.693 -12.779 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.251 -5.056 -10.446 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.595 -4.626 -11.485 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -13.301 -6.983 -11.475 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.059 -5.279 -8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -14.911 -7.990 -9.801 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.678 -6.291 -6.613 1.00 0.00 H new ATOM 0 HH TYR A 22 -14.447 -7.482 -6.338 1.00 0.00 H new ATOM 250 N TYR A 23 -8.321 -5.686 -12.060 1.00 0.00 N ATOM 251 CA TYR A 23 -7.118 -5.109 -12.635 1.00 0.00 C ATOM 252 C TYR A 23 -6.711 -5.849 -13.911 1.00 0.00 C ATOM 253 O TYR A 23 -6.067 -5.274 -14.788 1.00 0.00 O ATOM 254 CB TYR A 23 -6.021 -5.287 -11.585 1.00 0.00 C ATOM 255 CG TYR A 23 -4.601 -5.221 -12.150 1.00 0.00 C ATOM 256 CD1 TYR A 23 -4.127 -6.243 -12.947 1.00 0.00 C ATOM 257 CD2 TYR A 23 -3.793 -4.139 -11.863 1.00 0.00 C ATOM 258 CE1 TYR A 23 -2.790 -6.180 -13.480 1.00 0.00 C ATOM 259 CE2 TYR A 23 -2.457 -4.076 -12.395 1.00 0.00 C ATOM 260 CZ TYR A 23 -2.021 -5.100 -13.177 1.00 0.00 C ATOM 261 OH TYR A 23 -0.759 -5.040 -13.680 1.00 0.00 O ATOM 0 H TYR A 23 -8.236 -5.962 -11.082 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.281 -4.063 -12.896 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.134 -4.516 -10.823 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.159 -6.248 -11.089 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.758 -7.090 -13.171 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.164 -3.339 -11.239 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.407 -6.972 -14.106 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.815 -3.235 -12.178 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.722 -5.525 -14.531 1.00 0.00 H new ATOM 271 N ARG A 24 -7.103 -7.113 -13.975 1.00 0.00 N ATOM 272 CA ARG A 24 -6.787 -7.938 -15.129 1.00 0.00 C ATOM 273 C ARG A 24 -7.688 -7.567 -16.309 1.00 0.00 C ATOM 274 O ARG A 24 -7.274 -7.662 -17.463 1.00 0.00 O ATOM 275 CB ARG A 24 -6.963 -9.423 -14.809 1.00 0.00 C ATOM 276 CG ARG A 24 -6.247 -10.295 -15.842 1.00 0.00 C ATOM 277 CD ARG A 24 -4.949 -10.869 -15.270 1.00 0.00 C ATOM 278 NE ARG A 24 -5.162 -12.267 -14.834 1.00 0.00 N ATOM 279 CZ ARG A 24 -4.166 -13.153 -14.618 1.00 0.00 C ATOM 280 NH1 ARG A 24 -2.878 -12.791 -14.795 1.00 0.00 N ATOM 281 NH2 ARG A 24 -4.472 -14.377 -14.230 1.00 0.00 N ATOM 0 H ARG A 24 -7.637 -7.586 -13.246 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.745 -7.756 -15.392 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.569 -9.634 -13.815 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.024 -9.672 -14.791 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.902 -11.108 -16.153 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.027 -9.705 -16.732 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.162 -10.830 -16.023 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.614 -10.264 -14.428 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.121 -12.581 -14.687 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.651 -11.842 -15.094 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.131 -13.466 -14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.448 -14.641 -14.098 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.732 -15.059 -14.062 1.00 0.00 H new ATOM 294 N GLN A 25 -8.902 -7.152 -15.978 1.00 0.00 N ATOM 295 CA GLN A 25 -9.864 -6.766 -16.996 1.00 0.00 C ATOM 296 C GLN A 25 -9.348 -5.562 -17.785 1.00 0.00 C ATOM 297 O GLN A 25 -9.615 -5.437 -18.980 1.00 0.00 O ATOM 298 CB GLN A 25 -11.230 -6.470 -16.375 1.00 0.00 C ATOM 299 CG GLN A 25 -12.096 -7.730 -16.328 1.00 0.00 C ATOM 300 CD GLN A 25 -13.540 -7.418 -16.727 1.00 0.00 C ATOM 301 OE1 GLN A 25 -14.160 -8.118 -17.511 1.00 0.00 O ATOM 302 NE2 GLN A 25 -14.039 -6.331 -16.145 1.00 0.00 N ATOM 0 H GLN A 25 -9.241 -7.075 -15.019 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.988 -7.601 -17.686 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.098 -6.078 -15.367 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.737 -5.698 -16.954 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.684 -8.484 -16.999 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.076 -8.152 -15.323 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.465 -5.790 -15.498 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.995 -6.038 -16.346 1.00 0.00 H new ATOM 311 N VAL A 26 -8.617 -4.705 -17.086 1.00 0.00 N ATOM 312 CA VAL A 26 -8.061 -3.515 -17.707 1.00 0.00 C ATOM 313 C VAL A 26 -6.694 -3.850 -18.308 1.00 0.00 C ATOM 314 O VAL A 26 -6.148 -3.072 -19.088 1.00 0.00 O ATOM 315 CB VAL A 26 -8.004 -2.373 -16.690 1.00 0.00 C ATOM 316 CG1 VAL A 26 -9.077 -2.543 -15.614 1.00 0.00 C ATOM 317 CG2 VAL A 26 -6.612 -2.265 -16.065 1.00 0.00 C ATOM 0 H VAL A 26 -8.397 -4.812 -16.096 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.700 -3.175 -18.522 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.206 -1.442 -17.220 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.014 -1.718 -14.904 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.062 -2.547 -16.080 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.920 -3.486 -15.090 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.599 -1.446 -15.346 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.368 -3.198 -15.557 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.876 -2.074 -16.846 1.00 0.00 H new ATOM 327 N GLU A 27 -6.181 -5.008 -17.921 1.00 0.00 N ATOM 328 CA GLU A 27 -4.888 -5.455 -18.411 1.00 0.00 C ATOM 329 C GLU A 27 -5.022 -6.007 -19.832 1.00 0.00 C ATOM 330 O GLU A 27 -5.781 -6.945 -20.069 1.00 0.00 O ATOM 331 CB GLU A 27 -4.277 -6.498 -17.474 1.00 0.00 C ATOM 332 CG GLU A 27 -2.835 -6.816 -17.874 1.00 0.00 C ATOM 333 CD GLU A 27 -2.320 -8.053 -17.133 1.00 0.00 C ATOM 334 OE1 GLU A 27 -1.662 -7.921 -16.090 1.00 0.00 O ATOM 335 OE2 GLU A 27 -2.628 -9.181 -17.677 1.00 0.00 O ATOM 0 H GLU A 27 -6.637 -5.651 -17.274 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.215 -4.598 -18.436 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.301 -6.129 -16.449 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.875 -7.409 -17.499 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.781 -6.983 -18.950 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.195 -5.962 -17.652 1.00 0.00 H new ATOM 343 N ALA A 28 -4.272 -5.400 -20.741 1.00 0.00 N ATOM 344 CA ALA A 28 -4.297 -5.818 -22.132 1.00 0.00 C ATOM 345 C ALA A 28 -3.905 -7.295 -22.223 1.00 0.00 C ATOM 346 O ALA A 28 -2.722 -7.630 -22.189 1.00 0.00 O ATOM 347 CB ALA A 28 -3.372 -4.918 -22.953 1.00 0.00 C ATOM 0 H ALA A 28 -3.643 -4.622 -20.541 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.301 -5.717 -22.545 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.391 -5.232 -23.997 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.710 -3.884 -22.879 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.355 -4.995 -22.569 1.00 0.00 H new ATOM 353 N GLY A 29 -4.921 -8.138 -22.338 1.00 0.00 N ATOM 354 CA GLY A 29 -4.698 -9.570 -22.434 1.00 0.00 C ATOM 355 C GLY A 29 -4.068 -10.114 -21.150 1.00 0.00 C ATOM 356 O GLY A 29 -4.062 -9.438 -20.122 1.00 0.00 O ATOM 0 H GLY A 29 -5.901 -7.856 -22.367 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.644 -10.077 -22.622 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.047 -9.784 -23.282 1.00 0.00 H new ATOM 360 N ASN A 30 -3.553 -11.331 -21.251 1.00 0.00 N ATOM 361 CA ASN A 30 -2.922 -11.974 -20.111 1.00 0.00 C ATOM 362 C ASN A 30 -1.421 -11.681 -20.132 1.00 0.00 C ATOM 363 O ASN A 30 -0.616 -12.521 -19.732 1.00 0.00 O ATOM 364 CB ASN A 30 -3.109 -13.491 -20.161 1.00 0.00 C ATOM 365 CG ASN A 30 -4.403 -13.908 -19.459 1.00 0.00 C ATOM 366 OD1 ASN A 30 -5.501 -13.581 -19.879 1.00 0.00 O ATOM 367 ND2 ASN A 30 -4.214 -14.645 -18.368 1.00 0.00 N ATOM 0 H ASN A 30 -3.560 -11.889 -22.105 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.385 -11.584 -19.205 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.130 -13.824 -21.199 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.259 -13.981 -19.686 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.015 -14.972 -17.828 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.268 -14.883 -18.071 1.00 0.00 H new ATOM 374 N THR A 31 -1.089 -10.488 -20.603 1.00 0.00 N ATOM 375 CA THR A 31 0.302 -10.075 -20.681 1.00 0.00 C ATOM 376 C THR A 31 0.906 -9.969 -19.280 1.00 0.00 C ATOM 377 O THR A 31 1.989 -10.495 -19.026 1.00 0.00 O ATOM 378 CB THR A 31 0.362 -8.765 -21.470 1.00 0.00 C ATOM 379 OG1 THR A 31 -0.542 -7.904 -20.782 1.00 0.00 O ATOM 380 CG2 THR A 31 -0.242 -8.896 -22.870 1.00 0.00 C ATOM 0 H THR A 31 -1.759 -9.794 -20.934 1.00 0.00 H new ATOM 0 HA THR A 31 0.906 -10.815 -21.206 1.00 0.00 H new ATOM 0 HB THR A 31 1.398 -8.437 -21.551 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.158 -7.495 -21.425 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.174 -7.939 -23.387 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.305 -9.652 -23.433 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.288 -9.191 -22.789 1.00 0.00 H new ATOM 388 N GLY A 32 0.181 -9.284 -18.407 1.00 0.00 N ATOM 389 CA GLY A 32 0.633 -9.102 -17.038 1.00 0.00 C ATOM 390 C GLY A 32 0.851 -7.621 -16.725 1.00 0.00 C ATOM 391 O GLY A 32 1.050 -7.250 -15.569 1.00 0.00 O ATOM 0 H GLY A 32 -0.716 -8.849 -18.621 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.103 -9.518 -16.350 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.562 -9.651 -16.882 1.00 0.00 H new ATOM 395 N ARG A 33 0.806 -6.814 -17.775 1.00 0.00 N ATOM 396 CA ARG A 33 0.997 -5.381 -17.627 1.00 0.00 C ATOM 397 C ARG A 33 -0.251 -4.629 -18.095 1.00 0.00 C ATOM 398 O ARG A 33 -0.786 -4.913 -19.165 1.00 0.00 O ATOM 399 CB ARG A 33 2.206 -4.900 -18.431 1.00 0.00 C ATOM 400 CG ARG A 33 3.446 -4.788 -17.541 1.00 0.00 C ATOM 401 CD ARG A 33 4.648 -4.278 -18.339 1.00 0.00 C ATOM 402 NE ARG A 33 5.645 -5.360 -18.500 1.00 0.00 N ATOM 403 CZ ARG A 33 6.938 -5.156 -18.828 1.00 0.00 C ATOM 404 NH1 ARG A 33 7.403 -3.905 -19.033 1.00 0.00 N ATOM 405 NH2 ARG A 33 7.741 -6.197 -18.945 1.00 0.00 N ATOM 0 H ARG A 33 0.640 -7.125 -18.732 1.00 0.00 H new ATOM 0 HA ARG A 33 1.174 -5.177 -16.571 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.402 -5.593 -19.249 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.987 -3.931 -18.880 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.242 -4.112 -16.711 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.678 -5.762 -17.110 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.322 -3.924 -19.317 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.101 -3.429 -17.827 1.00 0.00 H new ATOM 0 HE ARG A 33 5.335 -6.321 -18.354 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.776 -3.106 -18.940 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.382 -3.759 -19.281 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.382 -7.139 -18.788 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.721 -6.060 -19.192 1.00 0.00 H new ATOM 418 N VAL A 34 -0.676 -3.683 -17.271 1.00 0.00 N ATOM 419 CA VAL A 34 -1.850 -2.888 -17.587 1.00 0.00 C ATOM 420 C VAL A 34 -1.453 -1.754 -18.535 1.00 0.00 C ATOM 421 O VAL A 34 -0.697 -0.860 -18.156 1.00 0.00 O ATOM 422 CB VAL A 34 -2.507 -2.387 -16.299 1.00 0.00 C ATOM 423 CG1 VAL A 34 -3.572 -1.331 -16.600 1.00 0.00 C ATOM 424 CG2 VAL A 34 -3.098 -3.549 -15.498 1.00 0.00 C ATOM 0 H VAL A 34 -0.228 -3.449 -16.385 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.595 -3.496 -18.100 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.734 -1.918 -15.690 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.023 -0.992 -15.667 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.111 -0.484 -17.109 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.342 -1.763 -17.239 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.559 -3.166 -14.587 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.851 -4.059 -16.099 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.306 -4.251 -15.236 1.00 0.00 H new ATOM 434 N LEU A 35 -1.980 -1.827 -19.748 1.00 0.00 N ATOM 435 CA LEU A 35 -1.689 -0.818 -20.752 1.00 0.00 C ATOM 436 C LEU A 35 -2.079 0.559 -20.213 1.00 0.00 C ATOM 437 O LEU A 35 -1.660 1.583 -20.752 1.00 0.00 O ATOM 438 CB LEU A 35 -2.364 -1.172 -22.079 1.00 0.00 C ATOM 439 CG LEU A 35 -1.426 -1.500 -23.242 1.00 0.00 C ATOM 440 CD1 LEU A 35 -2.214 -1.970 -24.467 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.519 -0.311 -23.567 1.00 0.00 C ATOM 0 H LEU A 35 -2.607 -2.569 -20.058 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.620 -0.788 -20.962 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.019 -2.028 -21.914 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.999 -0.337 -22.375 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.781 -2.324 -22.938 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.523 -2.196 -25.279 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.782 -2.865 -24.213 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.899 -1.183 -24.783 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.138 -0.571 -24.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.130 0.548 -23.843 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.082 -0.062 -22.693 1.00 0.00 H new ATOM 453 N ALA A 36 -2.876 0.541 -19.155 1.00 0.00 N ATOM 454 CA ALA A 36 -3.327 1.776 -18.536 1.00 0.00 C ATOM 455 C ALA A 36 -4.561 2.292 -19.278 1.00 0.00 C ATOM 456 O ALA A 36 -5.590 2.568 -18.663 1.00 0.00 O ATOM 457 CB ALA A 36 -2.183 2.792 -18.530 1.00 0.00 C ATOM 0 H ALA A 36 -3.221 -0.310 -18.710 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.614 1.603 -17.499 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.521 3.718 -18.066 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.342 2.389 -17.966 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.870 2.993 -19.554 1.00 0.00 H new ATOM 463 N LEU A 37 -4.418 2.407 -20.591 1.00 0.00 N ATOM 464 CA LEU A 37 -5.509 2.885 -21.423 1.00 0.00 C ATOM 465 C LEU A 37 -6.813 2.218 -20.981 1.00 0.00 C ATOM 466 O LEU A 37 -7.796 2.899 -20.694 1.00 0.00 O ATOM 467 CB LEU A 37 -5.183 2.677 -22.904 1.00 0.00 C ATOM 468 CG LEU A 37 -4.894 3.945 -23.711 1.00 0.00 C ATOM 469 CD1 LEU A 37 -3.392 4.116 -23.944 1.00 0.00 C ATOM 470 CD2 LEU A 37 -5.682 3.950 -25.023 1.00 0.00 C ATOM 0 H LEU A 37 -3.563 2.177 -21.098 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.642 3.959 -21.297 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.317 2.019 -22.976 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.019 2.156 -23.370 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.229 4.804 -23.130 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.214 5.024 -24.520 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.881 4.189 -22.984 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.009 3.257 -24.495 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.459 4.861 -25.578 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.399 3.083 -25.620 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.749 3.909 -24.806 1.00 0.00 H new ATOM 482 N ASP A 38 -6.779 0.894 -20.939 1.00 0.00 N ATOM 483 CA ASP A 38 -7.945 0.127 -20.537 1.00 0.00 C ATOM 484 C ASP A 38 -8.347 0.527 -19.116 1.00 0.00 C ATOM 485 O ASP A 38 -9.532 0.552 -18.785 1.00 0.00 O ATOM 486 CB ASP A 38 -7.646 -1.373 -20.540 1.00 0.00 C ATOM 487 CG ASP A 38 -8.429 -2.186 -21.573 1.00 0.00 C ATOM 488 OD1 ASP A 38 -9.604 -1.904 -21.851 1.00 0.00 O ATOM 489 OD2 ASP A 38 -7.774 -3.159 -22.110 1.00 0.00 O ATOM 0 H ASP A 38 -5.961 0.333 -21.177 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.747 0.335 -21.245 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.580 -1.515 -20.720 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.858 -1.773 -19.548 1.00 0.00 H new ATOM 495 N ALA A 39 -7.337 0.829 -18.312 1.00 0.00 N ATOM 496 CA ALA A 39 -7.570 1.225 -16.934 1.00 0.00 C ATOM 497 C ALA A 39 -8.640 2.318 -16.896 1.00 0.00 C ATOM 498 O ALA A 39 -9.666 2.166 -16.235 1.00 0.00 O ATOM 499 CB ALA A 39 -6.252 1.678 -16.303 1.00 0.00 C ATOM 0 H ALA A 39 -6.356 0.807 -18.589 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.939 0.382 -16.350 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.427 1.975 -15.269 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.535 0.857 -16.328 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.853 2.525 -16.861 1.00 0.00 H new ATOM 505 N ALA A 40 -8.365 3.397 -17.615 1.00 0.00 N ATOM 506 CA ALA A 40 -9.291 4.515 -17.672 1.00 0.00 C ATOM 507 C ALA A 40 -10.651 4.020 -18.169 1.00 0.00 C ATOM 508 O ALA A 40 -11.682 4.619 -17.866 1.00 0.00 O ATOM 509 CB ALA A 40 -8.710 5.614 -18.564 1.00 0.00 C ATOM 0 H ALA A 40 -7.514 3.520 -18.163 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.438 4.943 -16.680 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.405 6.453 -18.607 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.759 5.951 -18.153 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.552 5.222 -19.569 1.00 0.00 H new ATOM 515 N ALA A 41 -10.610 2.931 -18.922 1.00 0.00 N ATOM 516 CA ALA A 41 -11.826 2.349 -19.463 1.00 0.00 C ATOM 517 C ALA A 41 -12.659 1.764 -18.321 1.00 0.00 C ATOM 518 O ALA A 41 -13.819 2.130 -18.143 1.00 0.00 O ATOM 519 CB ALA A 41 -11.465 1.300 -20.518 1.00 0.00 C ATOM 0 H ALA A 41 -9.753 2.436 -19.170 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.430 3.112 -19.954 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.377 0.863 -20.924 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.900 1.772 -21.322 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.860 0.517 -20.060 1.00 0.00 H new ATOM 525 N PHE A 42 -12.033 0.865 -17.575 1.00 0.00 N ATOM 526 CA PHE A 42 -12.702 0.226 -16.455 1.00 0.00 C ATOM 527 C PHE A 42 -13.079 1.251 -15.384 1.00 0.00 C ATOM 528 O PHE A 42 -14.164 1.183 -14.809 1.00 0.00 O ATOM 529 CB PHE A 42 -11.713 -0.777 -15.857 1.00 0.00 C ATOM 530 CG PHE A 42 -12.051 -1.209 -14.428 1.00 0.00 C ATOM 531 CD1 PHE A 42 -11.765 -0.386 -13.384 1.00 0.00 C ATOM 532 CD2 PHE A 42 -12.639 -2.414 -14.203 1.00 0.00 C ATOM 533 CE1 PHE A 42 -12.079 -0.786 -12.058 1.00 0.00 C ATOM 534 CE2 PHE A 42 -12.953 -2.815 -12.877 1.00 0.00 C ATOM 535 CZ PHE A 42 -12.666 -1.992 -11.833 1.00 0.00 C ATOM 0 H PHE A 42 -11.070 0.564 -17.725 1.00 0.00 H new ATOM 0 HA PHE A 42 -13.618 -0.258 -16.795 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.678 -1.661 -16.494 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.716 -0.338 -15.866 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.299 0.572 -13.563 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.867 -3.067 -15.033 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.852 -0.133 -11.229 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.419 -3.773 -12.698 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.904 -2.296 -10.825 1.00 0.00 H new ATOM 545 N LEU A 43 -12.163 2.179 -15.149 1.00 0.00 N ATOM 546 CA LEU A 43 -12.386 3.218 -14.158 1.00 0.00 C ATOM 547 C LEU A 43 -13.771 3.832 -14.372 1.00 0.00 C ATOM 548 O LEU A 43 -14.525 4.018 -13.418 1.00 0.00 O ATOM 549 CB LEU A 43 -11.248 4.240 -14.188 1.00 0.00 C ATOM 550 CG LEU A 43 -9.898 3.758 -13.654 1.00 0.00 C ATOM 551 CD1 LEU A 43 -8.762 4.658 -14.144 1.00 0.00 C ATOM 552 CD2 LEU A 43 -9.921 3.642 -12.129 1.00 0.00 C ATOM 0 H LEU A 43 -11.264 2.233 -15.628 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.377 2.795 -13.153 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.111 4.572 -15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.554 5.112 -13.610 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.711 2.760 -14.049 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.813 4.293 -13.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.732 4.645 -15.233 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.931 5.678 -13.798 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.949 3.297 -11.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.141 4.617 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.689 2.929 -11.830 1.00 0.00 H new ATOM 564 N LYS A 44 -14.063 4.129 -15.629 1.00 0.00 N ATOM 565 CA LYS A 44 -15.344 4.718 -15.981 1.00 0.00 C ATOM 566 C LYS A 44 -16.469 3.901 -15.342 1.00 0.00 C ATOM 567 O LYS A 44 -17.559 4.418 -15.104 1.00 0.00 O ATOM 568 CB LYS A 44 -15.471 4.859 -17.499 1.00 0.00 C ATOM 569 CG LYS A 44 -14.831 6.160 -17.985 1.00 0.00 C ATOM 570 CD LYS A 44 -15.717 6.854 -19.021 1.00 0.00 C ATOM 571 CE LYS A 44 -15.092 6.778 -20.416 1.00 0.00 C ATOM 572 NZ LYS A 44 -14.825 8.136 -20.939 1.00 0.00 N ATOM 0 H LYS A 44 -13.434 3.973 -16.417 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.420 5.730 -15.584 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.993 4.010 -17.988 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.523 4.839 -17.783 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.665 6.826 -17.138 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.854 5.948 -18.420 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.702 6.387 -19.034 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.863 7.897 -18.740 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.163 6.209 -20.374 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.761 6.247 -21.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.401 8.066 -21.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.717 8.667 -20.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.169 8.631 -20.302 1.00 0.00 H new ATOM 583 N LYS A 45 -16.165 2.637 -15.084 1.00 0.00 N ATOM 584 CA LYS A 45 -17.137 1.743 -14.477 1.00 0.00 C ATOM 585 C LYS A 45 -17.505 2.264 -13.087 1.00 0.00 C ATOM 586 O LYS A 45 -18.488 1.821 -12.494 1.00 0.00 O ATOM 587 CB LYS A 45 -16.615 0.305 -14.478 1.00 0.00 C ATOM 588 CG LYS A 45 -16.137 -0.105 -15.872 1.00 0.00 C ATOM 589 CD LYS A 45 -17.218 -0.894 -16.612 1.00 0.00 C ATOM 590 CE LYS A 45 -16.897 -2.390 -16.619 1.00 0.00 C ATOM 591 NZ LYS A 45 -18.115 -3.180 -16.907 1.00 0.00 N ATOM 0 H LYS A 45 -15.260 2.211 -15.284 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.056 1.724 -15.063 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.794 0.212 -13.767 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.403 -0.372 -14.146 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.873 0.783 -16.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.234 -0.710 -15.787 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.184 -0.728 -16.136 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.301 -0.531 -17.637 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.134 -2.601 -17.368 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.485 -2.684 -15.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.880 -4.193 -16.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.832 -2.992 -16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.491 -2.911 -17.839 1.00 0.00 H new ATOM 602 N SER A 46 -16.695 3.196 -12.606 1.00 0.00 N ATOM 603 CA SER A 46 -16.923 3.782 -11.296 1.00 0.00 C ATOM 604 C SER A 46 -18.174 4.662 -11.326 1.00 0.00 C ATOM 605 O SER A 46 -19.230 4.265 -10.835 1.00 0.00 O ATOM 606 CB SER A 46 -15.712 4.596 -10.838 1.00 0.00 C ATOM 607 OG SER A 46 -15.472 5.717 -11.684 1.00 0.00 O ATOM 0 H SER A 46 -15.880 3.560 -13.100 1.00 0.00 H new ATOM 0 HA SER A 46 -17.074 2.973 -10.582 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.872 4.940 -9.816 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.829 3.957 -10.824 1.00 0.00 H new ATOM 0 HG SER A 46 -15.071 5.412 -12.525 1.00 0.00 H new ATOM 613 N GLY A 47 -18.014 5.842 -11.908 1.00 0.00 N ATOM 614 CA GLY A 47 -19.117 6.782 -12.009 1.00 0.00 C ATOM 615 C GLY A 47 -18.615 8.226 -11.943 1.00 0.00 C ATOM 616 O GLY A 47 -19.326 9.153 -12.329 1.00 0.00 O ATOM 0 H GLY A 47 -17.137 6.168 -12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.652 6.622 -12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.827 6.603 -11.202 1.00 0.00 H new ATOM 620 N LEU A 48 -17.394 8.372 -11.451 1.00 0.00 N ATOM 621 CA LEU A 48 -16.788 9.687 -11.329 1.00 0.00 C ATOM 622 C LEU A 48 -16.492 10.239 -12.725 1.00 0.00 C ATOM 623 O LEU A 48 -16.468 9.489 -13.701 1.00 0.00 O ATOM 624 CB LEU A 48 -15.561 9.629 -10.418 1.00 0.00 C ATOM 625 CG LEU A 48 -15.832 9.769 -8.918 1.00 0.00 C ATOM 626 CD1 LEU A 48 -14.663 9.222 -8.097 1.00 0.00 C ATOM 627 CD2 LEU A 48 -16.161 11.218 -8.553 1.00 0.00 C ATOM 0 H LEU A 48 -16.807 7.601 -11.132 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.479 10.382 -10.851 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.051 8.681 -10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.873 10.419 -10.718 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.708 9.169 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.881 9.333 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.518 8.167 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.756 9.775 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.349 11.290 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.320 11.860 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.048 11.538 -9.099 1.00 0.00 H new ATOM 639 N PRO A 49 -16.267 11.579 -12.778 1.00 0.00 N ATOM 640 CA PRO A 49 -15.973 12.239 -14.038 1.00 0.00 C ATOM 641 C PRO A 49 -14.541 11.947 -14.490 1.00 0.00 C ATOM 642 O PRO A 49 -13.743 11.408 -13.725 1.00 0.00 O ATOM 643 CB PRO A 49 -16.223 13.716 -13.776 1.00 0.00 C ATOM 644 CG PRO A 49 -16.197 13.881 -12.266 1.00 0.00 C ATOM 645 CD PRO A 49 -16.287 12.497 -11.643 1.00 0.00 C ATOM 0 HA PRO A 49 -16.598 11.881 -14.856 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -15.458 14.332 -14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -17.183 14.029 -14.187 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.281 14.382 -11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.029 14.503 -11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -15.451 12.311 -10.968 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -17.200 12.384 -11.058 1.00 0.00 H new ATOM 653 N ASP A 50 -14.259 12.315 -15.731 1.00 0.00 N ATOM 654 CA ASP A 50 -12.937 12.098 -16.294 1.00 0.00 C ATOM 655 C ASP A 50 -11.986 13.180 -15.780 1.00 0.00 C ATOM 656 O ASP A 50 -10.799 12.924 -15.580 1.00 0.00 O ATOM 657 CB ASP A 50 -12.968 12.183 -17.821 1.00 0.00 C ATOM 658 CG ASP A 50 -13.339 13.556 -18.386 1.00 0.00 C ATOM 659 OD1 ASP A 50 -14.522 13.921 -18.451 1.00 0.00 O ATOM 660 OD2 ASP A 50 -12.340 14.273 -18.774 1.00 0.00 O ATOM 0 H ASP A 50 -14.923 12.762 -16.363 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.602 11.105 -15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.988 11.902 -18.205 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.680 11.448 -18.196 1.00 0.00 H new ATOM 666 N LEU A 51 -12.541 14.366 -15.581 1.00 0.00 N ATOM 667 CA LEU A 51 -11.757 15.488 -15.094 1.00 0.00 C ATOM 668 C LEU A 51 -11.156 15.132 -13.733 1.00 0.00 C ATOM 669 O LEU A 51 -9.938 15.026 -13.596 1.00 0.00 O ATOM 670 CB LEU A 51 -12.599 16.765 -15.078 1.00 0.00 C ATOM 671 CG LEU A 51 -12.468 17.640 -13.831 1.00 0.00 C ATOM 672 CD1 LEU A 51 -11.002 17.969 -13.543 1.00 0.00 C ATOM 673 CD2 LEU A 51 -13.325 18.902 -13.953 1.00 0.00 C ATOM 0 H LEU A 51 -13.525 14.575 -15.748 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.925 15.691 -15.768 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.330 17.364 -15.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.647 16.487 -15.194 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.845 17.076 -12.978 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.937 18.592 -12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.447 17.045 -13.381 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.576 18.504 -14.391 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.213 19.506 -13.053 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.002 19.479 -14.820 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.371 18.621 -14.074 1.00 0.00 H new ATOM 685 N ILE A 52 -12.038 14.956 -12.760 1.00 0.00 N ATOM 686 CA ILE A 52 -11.609 14.614 -11.414 1.00 0.00 C ATOM 687 C ILE A 52 -10.695 13.388 -11.471 1.00 0.00 C ATOM 688 O ILE A 52 -9.725 13.298 -10.720 1.00 0.00 O ATOM 689 CB ILE A 52 -12.820 14.436 -10.495 1.00 0.00 C ATOM 690 CG1 ILE A 52 -13.618 15.737 -10.382 1.00 0.00 C ATOM 691 CG2 ILE A 52 -12.395 13.902 -9.126 1.00 0.00 C ATOM 692 CD1 ILE A 52 -13.020 16.655 -9.314 1.00 0.00 C ATOM 0 H ILE A 52 -13.047 15.044 -12.877 1.00 0.00 H new ATOM 0 HA ILE A 52 -11.026 15.427 -10.981 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.481 13.691 -10.939 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.625 16.249 -11.344 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.655 15.511 -10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.274 13.785 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.904 12.936 -9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.703 14.604 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.605 17.572 -9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.037 16.149 -8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.991 16.898 -9.578 1.00 0.00 H new ATOM 704 N LEU A 53 -11.037 12.475 -12.368 1.00 0.00 N ATOM 705 CA LEU A 53 -10.259 11.259 -12.533 1.00 0.00 C ATOM 706 C LEU A 53 -8.842 11.622 -12.980 1.00 0.00 C ATOM 707 O LEU A 53 -7.864 11.165 -12.389 1.00 0.00 O ATOM 708 CB LEU A 53 -10.973 10.290 -13.478 1.00 0.00 C ATOM 709 CG LEU A 53 -11.776 9.172 -12.810 1.00 0.00 C ATOM 710 CD1 LEU A 53 -12.587 8.388 -13.843 1.00 0.00 C ATOM 711 CD2 LEU A 53 -10.865 8.261 -11.985 1.00 0.00 C ATOM 0 H LEU A 53 -11.843 12.553 -12.988 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.169 10.733 -11.583 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.647 10.864 -14.114 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.228 9.835 -14.131 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.487 9.627 -12.120 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.149 7.599 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.279 9.061 -14.349 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.912 7.944 -14.575 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.460 7.475 -11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.114 7.812 -12.635 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.370 8.847 -11.210 1.00 0.00 H new ATOM 723 N GLY A 54 -8.775 12.441 -14.020 1.00 0.00 N ATOM 724 CA GLY A 54 -7.493 12.870 -14.553 1.00 0.00 C ATOM 725 C GLY A 54 -6.496 13.147 -13.426 1.00 0.00 C ATOM 726 O GLY A 54 -5.337 12.743 -13.505 1.00 0.00 O ATOM 0 H GLY A 54 -9.588 12.819 -14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.095 12.101 -15.215 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.627 13.770 -15.154 1.00 0.00 H new ATOM 730 N LYS A 55 -6.983 13.835 -12.404 1.00 0.00 N ATOM 731 CA LYS A 55 -6.149 14.171 -11.263 1.00 0.00 C ATOM 732 C LYS A 55 -5.665 12.883 -10.593 1.00 0.00 C ATOM 733 O LYS A 55 -4.481 12.744 -10.289 1.00 0.00 O ATOM 734 CB LYS A 55 -6.892 15.115 -10.315 1.00 0.00 C ATOM 735 CG LYS A 55 -6.859 16.553 -10.836 1.00 0.00 C ATOM 736 CD LYS A 55 -6.224 17.494 -9.811 1.00 0.00 C ATOM 737 CE LYS A 55 -7.295 18.262 -9.034 1.00 0.00 C ATOM 738 NZ LYS A 55 -7.593 19.551 -9.699 1.00 0.00 N ATOM 0 H LYS A 55 -7.945 14.169 -12.342 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.262 14.715 -11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.926 14.787 -10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.439 15.073 -9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.296 16.593 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.872 16.885 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.608 16.921 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.563 18.197 -10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.203 17.663 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.954 18.442 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.322 20.060 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.728 20.127 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.938 19.372 -10.664 1.00 0.00 H new ATOM 749 N ILE A 56 -6.605 11.973 -10.384 1.00 0.00 N ATOM 750 CA ILE A 56 -6.289 10.701 -9.756 1.00 0.00 C ATOM 751 C ILE A 56 -5.192 10.000 -10.559 1.00 0.00 C ATOM 752 O ILE A 56 -4.160 9.620 -10.007 1.00 0.00 O ATOM 753 CB ILE A 56 -7.556 9.861 -9.582 1.00 0.00 C ATOM 754 CG1 ILE A 56 -8.049 9.908 -8.134 1.00 0.00 C ATOM 755 CG2 ILE A 56 -7.334 8.427 -10.066 1.00 0.00 C ATOM 756 CD1 ILE A 56 -9.485 9.389 -8.027 1.00 0.00 C ATOM 0 H ILE A 56 -7.586 12.091 -10.638 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.898 10.858 -8.751 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.341 10.292 -10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.393 9.308 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.000 10.931 -7.762 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.250 7.852 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.064 8.437 -11.122 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.530 7.969 -9.490 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.811 9.433 -6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.142 10.006 -8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.526 8.357 -8.377 1.00 0.00 H new ATOM 768 N TRP A 57 -5.451 9.850 -11.850 1.00 0.00 N ATOM 769 CA TRP A 57 -4.499 9.200 -12.734 1.00 0.00 C ATOM 770 C TRP A 57 -3.162 9.933 -12.608 1.00 0.00 C ATOM 771 O TRP A 57 -2.139 9.319 -12.308 1.00 0.00 O ATOM 772 CB TRP A 57 -5.024 9.158 -14.170 1.00 0.00 C ATOM 773 CG TRP A 57 -4.086 8.460 -15.156 1.00 0.00 C ATOM 774 CD1 TRP A 57 -2.778 8.682 -15.350 1.00 0.00 C ATOM 775 CD2 TRP A 57 -4.438 7.410 -16.082 1.00 0.00 C ATOM 776 NE1 TRP A 57 -2.264 7.856 -16.328 1.00 0.00 N ATOM 777 CE2 TRP A 57 -3.305 7.057 -16.787 1.00 0.00 C ATOM 778 CE3 TRP A 57 -5.672 6.778 -16.315 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -3.294 6.062 -17.772 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -5.644 5.787 -17.302 1.00 0.00 C ATOM 781 CH2 TRP A 57 -4.513 5.420 -18.022 1.00 0.00 C ATOM 0 H TRP A 57 -6.307 10.168 -12.305 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.355 8.158 -12.447 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -5.988 8.649 -14.179 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.200 10.178 -14.512 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.199 9.416 -14.808 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -1.298 7.835 -16.654 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -6.571 7.037 -15.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -2.394 5.804 -18.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -6.567 5.270 -17.520 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.574 4.644 -18.770 1.00 0.00 H new ATOM 792 N ASP A 58 -3.213 11.236 -12.844 1.00 0.00 N ATOM 793 CA ASP A 58 -2.018 12.059 -12.761 1.00 0.00 C ATOM 794 C ASP A 58 -1.294 11.767 -11.445 1.00 0.00 C ATOM 795 O ASP A 58 -0.065 11.707 -11.409 1.00 0.00 O ATOM 796 CB ASP A 58 -2.372 13.548 -12.785 1.00 0.00 C ATOM 797 CG ASP A 58 -1.357 14.442 -13.500 1.00 0.00 C ATOM 798 OD1 ASP A 58 -1.493 14.731 -14.698 1.00 0.00 O ATOM 799 OD2 ASP A 58 -0.380 14.853 -12.765 1.00 0.00 O ATOM 0 H ASP A 58 -4.063 11.742 -13.093 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.386 11.824 -13.618 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.342 13.668 -13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.481 13.897 -11.758 1.00 0.00 H new ATOM 805 N LEU A 59 -2.085 11.593 -10.397 1.00 0.00 N ATOM 806 CA LEU A 59 -1.534 11.309 -9.082 1.00 0.00 C ATOM 807 C LEU A 59 -1.088 9.847 -9.027 1.00 0.00 C ATOM 808 O LEU A 59 -0.182 9.499 -8.271 1.00 0.00 O ATOM 809 CB LEU A 59 -2.534 11.690 -7.989 1.00 0.00 C ATOM 810 CG LEU A 59 -2.308 11.045 -6.620 1.00 0.00 C ATOM 811 CD1 LEU A 59 -2.941 9.654 -6.558 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.819 11.013 -6.267 1.00 0.00 C ATOM 0 H LEU A 59 -3.103 11.643 -10.431 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.650 11.919 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.513 12.773 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.535 11.427 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.804 11.659 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.766 9.218 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.014 9.734 -6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.495 9.017 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.687 10.550 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.279 10.436 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.429 12.031 -6.242 1.00 0.00 H new ATOM 824 N ALA A 60 -1.746 9.029 -9.836 1.00 0.00 N ATOM 825 CA ALA A 60 -1.429 7.612 -9.888 1.00 0.00 C ATOM 826 C ALA A 60 -0.178 7.405 -10.744 1.00 0.00 C ATOM 827 O ALA A 60 0.881 7.054 -10.227 1.00 0.00 O ATOM 828 CB ALA A 60 -2.636 6.838 -10.422 1.00 0.00 C ATOM 0 H ALA A 60 -2.497 9.321 -10.461 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.213 7.230 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.398 5.775 -10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.490 6.995 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.881 7.192 -11.423 1.00 0.00 H new ATOM 834 N ASP A 61 -0.342 7.632 -12.039 1.00 0.00 N ATOM 835 CA ASP A 61 0.761 7.474 -12.972 1.00 0.00 C ATOM 836 C ASP A 61 2.043 8.011 -12.334 1.00 0.00 C ATOM 837 O ASP A 61 2.004 8.971 -11.565 1.00 0.00 O ATOM 838 CB ASP A 61 0.509 8.260 -14.261 1.00 0.00 C ATOM 839 CG ASP A 61 1.747 8.493 -15.129 1.00 0.00 C ATOM 840 OD1 ASP A 61 2.425 9.524 -15.010 1.00 0.00 O ATOM 841 OD2 ASP A 61 2.010 7.548 -15.967 1.00 0.00 O ATOM 0 H ASP A 61 -1.222 7.924 -12.464 1.00 0.00 H new ATOM 0 HA ASP A 61 0.854 6.414 -13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.236 7.729 -14.853 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.079 9.227 -14.001 1.00 0.00 H new ATOM 847 N THR A 62 3.151 7.369 -12.677 1.00 0.00 N ATOM 848 CA THR A 62 4.443 7.771 -12.147 1.00 0.00 C ATOM 849 C THR A 62 5.573 7.140 -12.963 1.00 0.00 C ATOM 850 O THR A 62 6.565 7.799 -13.268 1.00 0.00 O ATOM 851 CB THR A 62 4.482 7.397 -10.664 1.00 0.00 C ATOM 852 OG1 THR A 62 3.737 8.430 -10.025 1.00 0.00 O ATOM 853 CG2 THR A 62 5.885 7.524 -10.065 1.00 0.00 C ATOM 0 H THR A 62 3.180 6.574 -13.315 1.00 0.00 H new ATOM 0 HA THR A 62 4.587 8.848 -12.229 1.00 0.00 H new ATOM 0 HB THR A 62 4.124 6.375 -10.538 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.361 9.030 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.857 7.247 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.569 6.862 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.230 8.554 -10.161 1.00 0.00 H new ATOM 861 N ASP A 63 5.384 5.871 -13.292 1.00 0.00 N ATOM 862 CA ASP A 63 6.376 5.144 -14.067 1.00 0.00 C ATOM 863 C ASP A 63 6.618 5.873 -15.390 1.00 0.00 C ATOM 864 O ASP A 63 7.762 6.146 -15.752 1.00 0.00 O ATOM 865 CB ASP A 63 5.893 3.728 -14.389 1.00 0.00 C ATOM 866 CG ASP A 63 7.002 2.683 -14.531 1.00 0.00 C ATOM 867 OD1 ASP A 63 7.882 2.799 -15.397 1.00 0.00 O ATOM 868 OD2 ASP A 63 6.938 1.704 -13.694 1.00 0.00 O ATOM 0 H ASP A 63 4.560 5.327 -13.037 1.00 0.00 H new ATOM 0 HA ASP A 63 7.291 5.088 -13.477 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.210 3.406 -13.603 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.321 3.757 -15.317 1.00 0.00 H new ATOM 874 N GLY A 64 5.523 6.167 -16.076 1.00 0.00 N ATOM 875 CA GLY A 64 5.603 6.860 -17.351 1.00 0.00 C ATOM 876 C GLY A 64 5.143 5.955 -18.496 1.00 0.00 C ATOM 877 O GLY A 64 4.682 4.838 -18.262 1.00 0.00 O ATOM 0 H GLY A 64 4.576 5.938 -15.773 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.985 7.757 -17.321 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.628 7.185 -17.529 1.00 0.00 H new ATOM 881 N LYS A 65 5.284 6.470 -19.708 1.00 0.00 N ATOM 882 CA LYS A 65 4.889 5.723 -20.890 1.00 0.00 C ATOM 883 C LYS A 65 3.362 5.651 -20.955 1.00 0.00 C ATOM 884 O LYS A 65 2.754 6.136 -21.908 1.00 0.00 O ATOM 885 CB LYS A 65 5.570 4.353 -20.910 1.00 0.00 C ATOM 886 CG LYS A 65 5.511 3.732 -22.307 1.00 0.00 C ATOM 887 CD LYS A 65 5.865 2.244 -22.261 1.00 0.00 C ATOM 888 CE LYS A 65 5.078 1.460 -23.313 1.00 0.00 C ATOM 889 NZ LYS A 65 5.893 0.345 -23.846 1.00 0.00 N ATOM 0 H LYS A 65 5.667 7.396 -19.897 1.00 0.00 H new ATOM 0 HA LYS A 65 5.224 6.233 -21.793 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.609 4.455 -20.597 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.084 3.691 -20.193 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.512 3.859 -22.723 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.201 4.253 -22.970 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.934 2.116 -22.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.650 1.846 -21.269 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.160 1.070 -22.873 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.784 2.124 -24.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.344 -0.177 -24.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.757 0.725 -24.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.152 -0.297 -23.070 1.00 0.00 H new ATOM 900 N GLY A 66 2.785 5.041 -19.930 1.00 0.00 N ATOM 901 CA GLY A 66 1.341 4.900 -19.859 1.00 0.00 C ATOM 902 C GLY A 66 0.948 3.735 -18.947 1.00 0.00 C ATOM 903 O GLY A 66 0.175 3.912 -18.007 1.00 0.00 O ATOM 0 H GLY A 66 3.292 4.639 -19.142 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.900 5.824 -19.485 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.938 4.736 -20.859 1.00 0.00 H new ATOM 907 N VAL A 67 1.499 2.571 -19.257 1.00 0.00 N ATOM 908 CA VAL A 67 1.216 1.378 -18.478 1.00 0.00 C ATOM 909 C VAL A 67 1.150 1.747 -16.994 1.00 0.00 C ATOM 910 O VAL A 67 1.825 2.675 -16.551 1.00 0.00 O ATOM 911 CB VAL A 67 2.256 0.297 -18.779 1.00 0.00 C ATOM 912 CG1 VAL A 67 1.866 -1.034 -18.134 1.00 0.00 C ATOM 913 CG2 VAL A 67 2.459 0.137 -20.287 1.00 0.00 C ATOM 0 H VAL A 67 2.140 2.429 -20.037 1.00 0.00 H new ATOM 0 HA VAL A 67 0.247 0.963 -18.754 1.00 0.00 H new ATOM 0 HB VAL A 67 3.204 0.614 -18.345 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.622 -1.785 -18.364 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.796 -0.908 -17.054 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.902 -1.359 -18.525 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.203 -0.637 -20.474 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.515 -0.146 -20.753 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.803 1.081 -20.710 1.00 0.00 H new ATOM 923 N LEU A 68 0.332 1.001 -16.268 1.00 0.00 N ATOM 924 CA LEU A 68 0.169 1.238 -14.843 1.00 0.00 C ATOM 925 C LEU A 68 1.010 0.225 -14.063 1.00 0.00 C ATOM 926 O LEU A 68 1.599 -0.681 -14.650 1.00 0.00 O ATOM 927 CB LEU A 68 -1.313 1.228 -14.464 1.00 0.00 C ATOM 928 CG LEU A 68 -2.196 2.250 -15.184 1.00 0.00 C ATOM 929 CD1 LEU A 68 -3.659 2.106 -14.759 1.00 0.00 C ATOM 930 CD2 LEU A 68 -1.674 3.672 -14.970 1.00 0.00 C ATOM 0 H LEU A 68 -0.226 0.232 -16.639 1.00 0.00 H new ATOM 0 HA LEU A 68 0.535 2.230 -14.577 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.711 0.232 -14.659 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.394 1.399 -13.391 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.150 2.048 -16.254 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.265 2.844 -15.285 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.012 1.104 -15.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.743 2.267 -13.684 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.319 4.379 -15.492 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.671 3.902 -13.905 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.659 3.750 -15.361 1.00 0.00 H new ATOM 942 N SER A 69 1.038 0.413 -12.752 1.00 0.00 N ATOM 943 CA SER A 69 1.796 -0.473 -11.885 1.00 0.00 C ATOM 944 C SER A 69 0.845 -1.277 -10.997 1.00 0.00 C ATOM 945 O SER A 69 -0.364 -1.281 -11.221 1.00 0.00 O ATOM 946 CB SER A 69 2.787 0.315 -11.024 1.00 0.00 C ATOM 947 OG SER A 69 4.106 0.282 -11.564 1.00 0.00 O ATOM 0 H SER A 69 0.548 1.166 -12.269 1.00 0.00 H new ATOM 0 HA SER A 69 2.365 -1.160 -12.512 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.454 1.350 -10.943 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.798 -0.097 -10.015 1.00 0.00 H new ATOM 0 HG SER A 69 4.708 0.797 -10.988 1.00 0.00 H new ATOM 953 N LYS A 70 1.427 -1.939 -10.008 1.00 0.00 N ATOM 954 CA LYS A 70 0.646 -2.745 -9.085 1.00 0.00 C ATOM 955 C LYS A 70 -0.158 -1.825 -8.165 1.00 0.00 C ATOM 956 O LYS A 70 -1.336 -1.572 -8.411 1.00 0.00 O ATOM 957 CB LYS A 70 1.549 -3.728 -8.336 1.00 0.00 C ATOM 958 CG LYS A 70 1.564 -5.094 -9.026 1.00 0.00 C ATOM 959 CD LYS A 70 2.905 -5.343 -9.719 1.00 0.00 C ATOM 960 CE LYS A 70 2.886 -6.663 -10.491 1.00 0.00 C ATOM 961 NZ LYS A 70 1.959 -6.578 -11.641 1.00 0.00 N ATOM 0 H LYS A 70 2.431 -1.934 -9.826 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.072 -3.358 -9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.563 -3.331 -8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.199 -3.839 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.379 -5.878 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.757 -5.145 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.124 -4.522 -10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.704 -5.363 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.890 -6.900 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.581 -7.474 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.152 -7.358 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.978 -6.646 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.094 -5.670 -12.130 1.00 0.00 H new ATOM 972 N GLN A 71 0.511 -1.350 -7.125 1.00 0.00 N ATOM 973 CA GLN A 71 -0.127 -0.463 -6.167 1.00 0.00 C ATOM 974 C GLN A 71 -0.754 0.733 -6.886 1.00 0.00 C ATOM 975 O GLN A 71 -1.796 1.236 -6.470 1.00 0.00 O ATOM 976 CB GLN A 71 0.867 -0.002 -5.100 1.00 0.00 C ATOM 977 CG GLN A 71 2.095 0.649 -5.739 1.00 0.00 C ATOM 978 CD GLN A 71 2.684 1.725 -4.825 1.00 0.00 C ATOM 979 OE1 GLN A 71 2.859 2.871 -5.205 1.00 0.00 O ATOM 980 NE2 GLN A 71 2.979 1.294 -3.602 1.00 0.00 N ATOM 0 H GLN A 71 1.488 -1.562 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.920 -1.015 -5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.383 0.707 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.176 -0.854 -4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.849 -0.111 -5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.820 1.091 -6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.807 0.321 -3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.377 1.936 -2.917 1.00 0.00 H new ATOM 989 N GLU A 72 -0.091 1.154 -7.953 1.00 0.00 N ATOM 990 CA GLU A 72 -0.570 2.282 -8.735 1.00 0.00 C ATOM 991 C GLU A 72 -2.067 2.134 -9.018 1.00 0.00 C ATOM 992 O GLU A 72 -2.888 2.818 -8.408 1.00 0.00 O ATOM 993 CB GLU A 72 0.223 2.424 -10.035 1.00 0.00 C ATOM 994 CG GLU A 72 1.424 3.352 -9.847 1.00 0.00 C ATOM 995 CD GLU A 72 1.719 4.134 -11.128 1.00 0.00 C ATOM 996 OE1 GLU A 72 0.790 4.469 -11.877 1.00 0.00 O ATOM 997 OE2 GLU A 72 2.966 4.395 -11.333 1.00 0.00 O ATOM 0 H GLU A 72 0.774 0.735 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.418 3.192 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.565 1.443 -10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.425 2.816 -10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.227 4.046 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.299 2.767 -9.564 1.00 0.00 H new ATOM 1005 N PHE A 73 -2.376 1.238 -9.943 1.00 0.00 N ATOM 1006 CA PHE A 73 -3.759 0.992 -10.314 1.00 0.00 C ATOM 1007 C PHE A 73 -4.613 0.692 -9.080 1.00 0.00 C ATOM 1008 O PHE A 73 -5.706 1.236 -8.930 1.00 0.00 O ATOM 1009 CB PHE A 73 -3.765 -0.231 -11.233 1.00 0.00 C ATOM 1010 CG PHE A 73 -5.134 -0.898 -11.372 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -5.606 -1.696 -10.377 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -5.880 -0.694 -12.491 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -6.877 -2.316 -10.506 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -7.151 -1.314 -12.620 1.00 0.00 C ATOM 1015 CZ PHE A 73 -7.623 -2.112 -11.625 1.00 0.00 C ATOM 0 H PHE A 73 -1.692 0.673 -10.447 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.174 1.872 -10.805 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.416 0.068 -12.221 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.053 -0.963 -10.852 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.014 -1.858 -9.488 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.506 -0.060 -13.281 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.251 -2.950 -9.716 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.743 -1.152 -13.509 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.590 -2.584 -11.723 1.00 0.00 H new ATOM 1025 N PHE A 74 -4.081 -0.173 -8.229 1.00 0.00 N ATOM 1026 CA PHE A 74 -4.781 -0.552 -7.013 1.00 0.00 C ATOM 1027 C PHE A 74 -5.085 0.674 -6.150 1.00 0.00 C ATOM 1028 O PHE A 74 -6.055 0.681 -5.394 1.00 0.00 O ATOM 1029 CB PHE A 74 -3.854 -1.490 -6.237 1.00 0.00 C ATOM 1030 CG PHE A 74 -4.241 -2.967 -6.332 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -4.089 -3.635 -7.507 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -4.738 -3.611 -5.242 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -4.449 -5.006 -7.595 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -5.097 -4.982 -5.330 1.00 0.00 C ATOM 1035 CZ PHE A 74 -4.945 -5.651 -6.505 1.00 0.00 C ATOM 0 H PHE A 74 -3.174 -0.622 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.728 -1.031 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.836 -1.367 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.849 -1.193 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.695 -3.123 -8.372 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.860 -3.080 -4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.329 -5.537 -8.528 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.491 -5.494 -4.464 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.218 -6.694 -6.572 1.00 0.00 H new ATOM 1045 N VAL A 75 -4.237 1.683 -6.292 1.00 0.00 N ATOM 1046 CA VAL A 75 -4.403 2.912 -5.535 1.00 0.00 C ATOM 1047 C VAL A 75 -5.515 3.750 -6.169 1.00 0.00 C ATOM 1048 O VAL A 75 -6.514 4.055 -5.519 1.00 0.00 O ATOM 1049 CB VAL A 75 -3.069 3.656 -5.448 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -3.287 5.170 -5.413 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -2.259 3.191 -4.236 1.00 0.00 C ATOM 0 H VAL A 75 -3.433 1.674 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.705 2.693 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.495 3.420 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.323 5.675 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.804 5.484 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.890 5.431 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.316 3.736 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.825 3.382 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.058 2.123 -4.321 1.00 0.00 H new ATOM 1061 N ALA A 76 -5.304 4.099 -7.429 1.00 0.00 N ATOM 1062 CA ALA A 76 -6.277 4.896 -8.158 1.00 0.00 C ATOM 1063 C ALA A 76 -7.680 4.345 -7.895 1.00 0.00 C ATOM 1064 O ALA A 76 -8.662 5.083 -7.960 1.00 0.00 O ATOM 1065 CB ALA A 76 -5.922 4.900 -9.646 1.00 0.00 C ATOM 0 H ALA A 76 -4.474 3.845 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.259 5.931 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.652 5.498 -10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.928 5.327 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.933 3.878 -10.025 1.00 0.00 H new ATOM 1071 N LEU A 77 -7.730 3.054 -7.604 1.00 0.00 N ATOM 1072 CA LEU A 77 -8.997 2.396 -7.331 1.00 0.00 C ATOM 1073 C LEU A 77 -9.592 2.962 -6.040 1.00 0.00 C ATOM 1074 O LEU A 77 -10.531 3.755 -6.081 1.00 0.00 O ATOM 1075 CB LEU A 77 -8.819 0.877 -7.312 1.00 0.00 C ATOM 1076 CG LEU A 77 -9.591 0.098 -8.378 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -9.376 -1.409 -8.221 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -11.076 0.469 -8.361 1.00 0.00 C ATOM 0 H LEU A 77 -6.913 2.445 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.712 2.599 -8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.758 0.654 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.120 0.508 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.199 0.379 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.936 -1.939 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.315 -1.638 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.723 -1.726 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.602 -0.099 -9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.498 0.235 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.187 1.535 -8.559 1.00 0.00 H new ATOM 1090 N ARG A 78 -9.021 2.532 -4.925 1.00 0.00 N ATOM 1091 CA ARG A 78 -9.483 2.985 -3.624 1.00 0.00 C ATOM 1092 C ARG A 78 -9.556 4.513 -3.590 1.00 0.00 C ATOM 1093 O ARG A 78 -10.365 5.083 -2.859 1.00 0.00 O ATOM 1094 CB ARG A 78 -8.554 2.501 -2.509 1.00 0.00 C ATOM 1095 CG ARG A 78 -8.917 1.080 -2.072 1.00 0.00 C ATOM 1096 CD ARG A 78 -10.396 0.984 -1.691 1.00 0.00 C ATOM 1097 NE ARG A 78 -11.168 0.395 -2.808 1.00 0.00 N ATOM 1098 CZ ARG A 78 -12.323 -0.287 -2.652 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -12.849 -0.471 -1.423 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -12.929 -0.771 -3.720 1.00 0.00 N ATOM 0 H ARG A 78 -8.242 1.874 -4.895 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.476 2.566 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.521 2.526 -2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.621 3.176 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.700 0.381 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.299 0.788 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.511 0.372 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.784 1.974 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.805 0.511 -3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.374 -0.094 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.722 -0.987 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.524 -0.627 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.802 -1.289 -3.620 1.00 0.00 H new ATOM 1113 N LEU A 79 -8.700 5.133 -4.389 1.00 0.00 N ATOM 1114 CA LEU A 79 -8.658 6.583 -4.459 1.00 0.00 C ATOM 1115 C LEU A 79 -10.050 7.114 -4.805 1.00 0.00 C ATOM 1116 O LEU A 79 -10.535 8.052 -4.175 1.00 0.00 O ATOM 1117 CB LEU A 79 -7.567 7.041 -5.429 1.00 0.00 C ATOM 1118 CG LEU A 79 -6.801 8.304 -5.030 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -5.609 8.539 -5.960 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -7.733 9.516 -4.976 1.00 0.00 C ATOM 0 H LEU A 79 -8.030 4.657 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.388 7.003 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.851 6.228 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.023 7.210 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.402 8.159 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.082 9.443 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.931 7.687 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.964 8.655 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.164 10.400 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.181 9.674 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.519 9.338 -4.242 1.00 0.00 H new ATOM 1132 N VAL A 80 -10.654 6.491 -5.806 1.00 0.00 N ATOM 1133 CA VAL A 80 -11.981 6.889 -6.244 1.00 0.00 C ATOM 1134 C VAL A 80 -12.924 6.916 -5.039 1.00 0.00 C ATOM 1135 O VAL A 80 -13.748 7.820 -4.912 1.00 0.00 O ATOM 1136 CB VAL A 80 -12.465 5.960 -7.360 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -13.987 6.016 -7.499 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -11.780 6.295 -8.687 1.00 0.00 C ATOM 0 H VAL A 80 -10.249 5.713 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.959 7.895 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.191 4.940 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.304 5.347 -8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.450 5.706 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.294 7.035 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -12.141 5.621 -9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.009 7.324 -8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.702 6.179 -8.579 1.00 0.00 H new ATOM 1148 N ALA A 81 -12.771 5.914 -4.185 1.00 0.00 N ATOM 1149 CA ALA A 81 -13.598 5.813 -2.995 1.00 0.00 C ATOM 1150 C ALA A 81 -13.412 7.068 -2.141 1.00 0.00 C ATOM 1151 O ALA A 81 -14.225 7.351 -1.262 1.00 0.00 O ATOM 1152 CB ALA A 81 -13.244 4.533 -2.235 1.00 0.00 C ATOM 0 H ALA A 81 -12.087 5.165 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.652 5.752 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -13.864 4.457 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.422 3.669 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.193 4.560 -1.946 1.00 0.00 H new ATOM 1158 N CYS A 82 -12.338 7.788 -2.430 1.00 0.00 N ATOM 1159 CA CYS A 82 -12.035 9.006 -1.699 1.00 0.00 C ATOM 1160 C CYS A 82 -12.901 10.134 -2.265 1.00 0.00 C ATOM 1161 O CYS A 82 -13.769 10.662 -1.572 1.00 0.00 O ATOM 1162 CB CYS A 82 -10.544 9.347 -1.759 1.00 0.00 C ATOM 1163 SG CYS A 82 -10.048 10.256 -0.251 1.00 0.00 S ATOM 0 H CYS A 82 -11.667 7.551 -3.161 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.266 8.866 -0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.957 8.433 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.336 9.951 -2.642 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.953 9.742 0.225 1.00 0.00 H new ATOM 1169 N ALA A 83 -12.635 10.469 -3.519 1.00 0.00 N ATOM 1170 CA ALA A 83 -13.379 11.524 -4.185 1.00 0.00 C ATOM 1171 C ALA A 83 -14.878 11.291 -3.983 1.00 0.00 C ATOM 1172 O ALA A 83 -15.671 12.228 -4.057 1.00 0.00 O ATOM 1173 CB ALA A 83 -12.990 11.567 -5.665 1.00 0.00 C ATOM 0 H ALA A 83 -11.915 10.028 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.135 12.496 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.548 12.359 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.922 11.764 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.223 10.609 -6.130 1.00 0.00 H new ATOM 1179 N GLN A 84 -15.220 10.036 -3.733 1.00 0.00 N ATOM 1180 CA GLN A 84 -16.610 9.668 -3.519 1.00 0.00 C ATOM 1181 C GLN A 84 -17.161 10.373 -2.278 1.00 0.00 C ATOM 1182 O GLN A 84 -18.365 10.604 -2.174 1.00 0.00 O ATOM 1183 CB GLN A 84 -16.763 8.150 -3.401 1.00 0.00 C ATOM 1184 CG GLN A 84 -16.536 7.469 -4.752 1.00 0.00 C ATOM 1185 CD GLN A 84 -17.817 6.796 -5.250 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -18.792 6.652 -4.531 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -17.759 6.392 -6.515 1.00 0.00 N ATOM 0 H GLN A 84 -14.559 9.261 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.189 9.992 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.051 7.765 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.760 7.909 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.200 8.205 -5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.743 6.727 -4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.911 6.544 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.563 5.930 -6.940 1.00 0.00 H new ATOM 1196 N ASN A 85 -16.254 10.695 -1.368 1.00 0.00 N ATOM 1197 CA ASN A 85 -16.634 11.369 -0.138 1.00 0.00 C ATOM 1198 C ASN A 85 -16.320 12.861 -0.261 1.00 0.00 C ATOM 1199 O ASN A 85 -16.376 13.594 0.725 1.00 0.00 O ATOM 1200 CB ASN A 85 -15.852 10.818 1.056 1.00 0.00 C ATOM 1201 CG ASN A 85 -16.627 11.023 2.360 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -17.704 11.594 2.389 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -16.019 10.526 3.434 1.00 0.00 N ATOM 0 H ASN A 85 -15.257 10.502 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.700 11.204 0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.656 9.756 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.884 11.315 1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.455 10.612 4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.117 10.059 3.339 1.00 0.00 H new ATOM 1210 N GLY A 86 -15.996 13.266 -1.480 1.00 0.00 N ATOM 1211 CA GLY A 86 -15.673 14.658 -1.745 1.00 0.00 C ATOM 1212 C GLY A 86 -14.287 15.012 -1.202 1.00 0.00 C ATOM 1213 O GLY A 86 -13.940 16.187 -1.094 1.00 0.00 O ATOM 0 H GLY A 86 -15.950 12.655 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.706 14.845 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.423 15.303 -1.286 1.00 0.00 H new ATOM 1217 N LEU A 87 -13.532 13.974 -0.874 1.00 0.00 N ATOM 1218 CA LEU A 87 -12.192 14.160 -0.345 1.00 0.00 C ATOM 1219 C LEU A 87 -11.237 14.494 -1.492 1.00 0.00 C ATOM 1220 O LEU A 87 -11.533 14.213 -2.653 1.00 0.00 O ATOM 1221 CB LEU A 87 -11.765 12.941 0.475 1.00 0.00 C ATOM 1222 CG LEU A 87 -12.481 12.749 1.814 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -12.208 11.357 2.387 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -12.107 13.858 2.799 1.00 0.00 C ATOM 0 H LEU A 87 -13.823 13.001 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.169 15.003 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.922 12.048 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.694 13.013 0.665 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.555 12.821 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.728 11.247 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.564 10.600 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.137 11.231 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.629 13.698 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.031 13.843 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.394 14.825 2.385 1.00 0.00 H new ATOM 1236 N GLU A 88 -10.111 15.089 -1.128 1.00 0.00 N ATOM 1237 CA GLU A 88 -9.110 15.465 -2.113 1.00 0.00 C ATOM 1238 C GLU A 88 -8.940 14.351 -3.148 1.00 0.00 C ATOM 1239 O GLU A 88 -9.369 13.220 -2.924 1.00 0.00 O ATOM 1240 CB GLU A 88 -7.777 15.797 -1.441 1.00 0.00 C ATOM 1241 CG GLU A 88 -7.035 16.894 -2.207 1.00 0.00 C ATOM 1242 CD GLU A 88 -6.583 18.012 -1.264 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -6.156 17.734 -0.134 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -6.687 19.205 -1.744 1.00 0.00 O ATOM 0 H GLU A 88 -9.869 15.320 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.453 16.363 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.953 16.121 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.158 14.901 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.169 16.467 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.684 17.306 -2.980 1.00 0.00 H new ATOM 1252 N VAL A 89 -8.313 14.709 -4.259 1.00 0.00 N ATOM 1253 CA VAL A 89 -8.081 13.754 -5.329 1.00 0.00 C ATOM 1254 C VAL A 89 -6.606 13.348 -5.333 1.00 0.00 C ATOM 1255 O VAL A 89 -6.174 12.572 -6.184 1.00 0.00 O ATOM 1256 CB VAL A 89 -8.543 14.341 -6.664 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -8.537 13.276 -7.762 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -9.925 14.985 -6.531 1.00 0.00 C ATOM 0 H VAL A 89 -7.958 15.648 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.667 12.849 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.837 15.121 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.869 13.719 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.527 12.884 -7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.210 12.465 -7.485 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.230 15.394 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.647 14.234 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.884 15.786 -5.793 1.00 0.00 H new ATOM 1268 N SER A 90 -5.873 13.891 -4.371 1.00 0.00 N ATOM 1269 CA SER A 90 -4.455 13.595 -4.253 1.00 0.00 C ATOM 1270 C SER A 90 -4.242 12.441 -3.271 1.00 0.00 C ATOM 1271 O SER A 90 -5.140 12.101 -2.503 1.00 0.00 O ATOM 1272 CB SER A 90 -3.671 14.828 -3.803 1.00 0.00 C ATOM 1273 OG SER A 90 -3.354 15.688 -4.894 1.00 0.00 O ATOM 0 H SER A 90 -6.235 14.534 -3.667 1.00 0.00 H new ATOM 0 HA SER A 90 -4.083 13.301 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.254 15.379 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.751 14.513 -3.311 1.00 0.00 H new ATOM 0 HG SER A 90 -2.855 16.464 -4.564 1.00 0.00 H new ATOM 1279 N LEU A 91 -3.046 11.873 -3.327 1.00 0.00 N ATOM 1280 CA LEU A 91 -2.703 10.765 -2.451 1.00 0.00 C ATOM 1281 C LEU A 91 -2.825 11.215 -0.994 1.00 0.00 C ATOM 1282 O LEU A 91 -2.990 10.390 -0.097 1.00 0.00 O ATOM 1283 CB LEU A 91 -1.324 10.207 -2.809 1.00 0.00 C ATOM 1284 CG LEU A 91 -1.315 8.874 -3.562 1.00 0.00 C ATOM 1285 CD1 LEU A 91 0.117 8.411 -3.838 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -2.125 7.815 -2.812 1.00 0.00 C ATOM 0 H LEU A 91 -2.303 12.159 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.402 9.940 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.800 10.947 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.753 10.086 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.798 9.024 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.096 7.462 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.631 9.158 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.646 8.283 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.102 6.878 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.694 7.660 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.157 8.151 -2.710 1.00 0.00 H new ATOM 1298 N SER A 92 -2.739 12.523 -0.803 1.00 0.00 N ATOM 1299 CA SER A 92 -2.838 13.093 0.529 1.00 0.00 C ATOM 1300 C SER A 92 -4.257 12.915 1.071 1.00 0.00 C ATOM 1301 O SER A 92 -4.528 13.228 2.229 1.00 0.00 O ATOM 1302 CB SER A 92 -2.453 14.574 0.525 1.00 0.00 C ATOM 1303 OG SER A 92 -2.127 15.045 1.830 1.00 0.00 O ATOM 0 H SER A 92 -2.602 13.205 -1.549 1.00 0.00 H new ATOM 0 HA SER A 92 -2.139 12.566 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.601 14.725 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.278 15.162 0.123 1.00 0.00 H new ATOM 0 HG SER A 92 -2.743 14.651 2.483 1.00 0.00 H new ATOM 1309 N SER A 93 -5.127 12.412 0.207 1.00 0.00 N ATOM 1310 CA SER A 93 -6.512 12.189 0.585 1.00 0.00 C ATOM 1311 C SER A 93 -6.717 10.725 0.982 1.00 0.00 C ATOM 1312 O SER A 93 -7.757 10.367 1.531 1.00 0.00 O ATOM 1313 CB SER A 93 -7.461 12.567 -0.555 1.00 0.00 C ATOM 1314 OG SER A 93 -8.406 13.556 -0.156 1.00 0.00 O ATOM 0 H SER A 93 -4.900 12.153 -0.753 1.00 0.00 H new ATOM 0 HA SER A 93 -6.740 12.826 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.882 12.939 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.990 11.677 -0.897 1.00 0.00 H new ATOM 0 HG SER A 93 -8.028 14.095 0.570 1.00 0.00 H new ATOM 1320 N LEU A 94 -5.707 9.919 0.689 1.00 0.00 N ATOM 1321 CA LEU A 94 -5.762 8.503 1.009 1.00 0.00 C ATOM 1322 C LEU A 94 -5.144 8.272 2.389 1.00 0.00 C ATOM 1323 O LEU A 94 -4.672 9.212 3.028 1.00 0.00 O ATOM 1324 CB LEU A 94 -5.113 7.677 -0.102 1.00 0.00 C ATOM 1325 CG LEU A 94 -6.023 7.291 -1.270 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -5.346 6.259 -2.175 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -7.385 6.808 -0.768 1.00 0.00 C ATOM 0 H LEU A 94 -4.846 10.220 0.233 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.797 8.164 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.266 8.238 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.713 6.764 0.338 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.200 8.181 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.014 6.002 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.422 6.676 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.119 5.362 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.012 6.540 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.249 5.936 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.866 7.603 -0.199 1.00 0.00 H new ATOM 1339 N SER A 95 -5.165 7.015 2.809 1.00 0.00 N ATOM 1340 CA SER A 95 -4.612 6.649 4.102 1.00 0.00 C ATOM 1341 C SER A 95 -5.606 6.994 5.213 1.00 0.00 C ATOM 1342 O SER A 95 -5.264 6.942 6.394 1.00 0.00 O ATOM 1343 CB SER A 95 -3.275 7.351 4.348 1.00 0.00 C ATOM 1344 OG SER A 95 -3.434 8.556 5.092 1.00 0.00 O ATOM 0 H SER A 95 -5.556 6.238 2.277 1.00 0.00 H new ATOM 0 HA SER A 95 -4.432 5.574 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.606 6.679 4.885 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.802 7.575 3.392 1.00 0.00 H new ATOM 0 HG SER A 95 -3.865 9.233 4.530 1.00 0.00 H new ATOM 1350 N LEU A 96 -6.815 7.338 4.796 1.00 0.00 N ATOM 1351 CA LEU A 96 -7.860 7.692 5.741 1.00 0.00 C ATOM 1352 C LEU A 96 -8.960 6.629 5.700 1.00 0.00 C ATOM 1353 O LEU A 96 -8.777 5.564 5.113 1.00 0.00 O ATOM 1354 CB LEU A 96 -8.366 9.111 5.475 1.00 0.00 C ATOM 1355 CG LEU A 96 -7.472 9.988 4.596 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -8.267 11.143 3.985 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -6.251 10.481 5.375 1.00 0.00 C ATOM 0 H LEU A 96 -7.095 7.379 3.816 1.00 0.00 H new ATOM 0 HA LEU A 96 -7.466 7.705 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.348 9.043 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.503 9.612 6.433 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.103 9.380 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.608 11.751 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.076 10.744 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.685 11.758 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.632 11.102 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.579 11.067 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.670 9.626 5.720 1.00 0.00 H new ATOM 1369 N ALA A 97 -10.079 6.956 6.330 1.00 0.00 N ATOM 1370 CA ALA A 97 -11.208 6.043 6.373 1.00 0.00 C ATOM 1371 C ALA A 97 -12.234 6.458 5.317 1.00 0.00 C ATOM 1372 O ALA A 97 -13.369 6.797 5.649 1.00 0.00 O ATOM 1373 CB ALA A 97 -11.798 6.025 7.784 1.00 0.00 C ATOM 0 H ALA A 97 -10.228 7.841 6.815 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.889 5.027 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -12.645 5.340 7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.038 5.695 8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.132 7.027 8.051 1.00 0.00 H new ATOM 1379 N VAL A 98 -11.798 6.417 4.066 1.00 0.00 N ATOM 1380 CA VAL A 98 -12.665 6.785 2.959 1.00 0.00 C ATOM 1381 C VAL A 98 -13.789 5.755 2.833 1.00 0.00 C ATOM 1382 O VAL A 98 -13.633 4.607 3.245 1.00 0.00 O ATOM 1383 CB VAL A 98 -11.843 6.933 1.678 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -10.662 7.883 1.890 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -11.366 5.570 1.172 1.00 0.00 C ATOM 0 H VAL A 98 -10.856 6.135 3.795 1.00 0.00 H new ATOM 0 HA VAL A 98 -13.131 7.753 3.144 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.489 7.367 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.094 7.970 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.033 8.865 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.016 7.491 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.784 5.704 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.745 5.096 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.229 4.938 0.962 1.00 0.00 H new ATOM 1395 N PRO A 99 -14.927 6.215 2.247 1.00 0.00 N ATOM 1396 CA PRO A 99 -16.077 5.346 2.062 1.00 0.00 C ATOM 1397 C PRO A 99 -15.842 4.363 0.913 1.00 0.00 C ATOM 1398 O PRO A 99 -14.829 4.444 0.220 1.00 0.00 O ATOM 1399 CB PRO A 99 -17.244 6.287 1.809 1.00 0.00 C ATOM 1400 CG PRO A 99 -16.627 7.615 1.401 1.00 0.00 C ATOM 1401 CD PRO A 99 -15.148 7.569 1.748 1.00 0.00 C ATOM 0 HA PRO A 99 -16.272 4.715 2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -17.894 5.901 1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -17.856 6.399 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -16.763 7.787 0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -17.116 8.439 1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -14.530 7.775 0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -14.894 8.315 2.501 1.00 0.00 H new ATOM 1409 N PRO A 100 -16.820 3.433 0.743 1.00 0.00 N ATOM 1410 CA PRO A 100 -16.729 2.436 -0.309 1.00 0.00 C ATOM 1411 C PRO A 100 -17.030 3.052 -1.676 1.00 0.00 C ATOM 1412 O PRO A 100 -17.829 3.981 -1.780 1.00 0.00 O ATOM 1413 CB PRO A 100 -17.722 1.355 0.087 1.00 0.00 C ATOM 1414 CG PRO A 100 -18.662 2.001 1.091 1.00 0.00 C ATOM 1415 CD PRO A 100 -18.033 3.308 1.546 1.00 0.00 C ATOM 0 HA PRO A 100 -15.726 2.020 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -18.269 0.990 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.212 0.497 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -19.637 2.184 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -18.825 1.339 1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -18.706 4.150 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -17.803 3.287 2.611 1.00 0.00 H new ATOM 1423 N PRO A 101 -16.355 2.496 -2.718 1.00 0.00 N ATOM 1424 CA PRO A 101 -16.542 2.982 -4.075 1.00 0.00 C ATOM 1425 C PRO A 101 -17.882 2.511 -4.646 1.00 0.00 C ATOM 1426 O PRO A 101 -18.765 2.090 -3.900 1.00 0.00 O ATOM 1427 CB PRO A 101 -15.347 2.452 -4.851 1.00 0.00 C ATOM 1428 CG PRO A 101 -14.784 1.311 -4.019 1.00 0.00 C ATOM 1429 CD PRO A 101 -15.401 1.395 -2.633 1.00 0.00 C ATOM 0 HA PRO A 101 -16.585 4.070 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.646 2.104 -5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.601 3.232 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.015 0.351 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.698 1.383 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -15.896 0.462 -2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -14.643 1.586 -1.873 1.00 0.00 H new ATOM 1437 N ARG A 102 -17.991 2.599 -5.964 1.00 0.00 N ATOM 1438 CA ARG A 102 -19.207 2.187 -6.643 1.00 0.00 C ATOM 1439 C ARG A 102 -19.039 0.784 -7.229 1.00 0.00 C ATOM 1440 O ARG A 102 -20.006 0.030 -7.330 1.00 0.00 O ATOM 1441 CB ARG A 102 -19.568 3.162 -7.766 1.00 0.00 C ATOM 1442 CG ARG A 102 -21.078 3.400 -7.822 1.00 0.00 C ATOM 1443 CD ARG A 102 -21.394 4.790 -8.378 1.00 0.00 C ATOM 1444 NE ARG A 102 -21.732 5.713 -7.271 1.00 0.00 N ATOM 1445 CZ ARG A 102 -22.140 6.988 -7.446 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -22.264 7.503 -8.688 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -22.415 7.723 -6.385 1.00 0.00 N ATOM 0 H ARG A 102 -17.257 2.950 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 102 -20.012 2.183 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -19.053 4.110 -7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.223 2.766 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.547 2.639 -8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.503 3.299 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -20.537 5.172 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -22.226 4.730 -9.079 1.00 0.00 H new ATOM 0 HE ARG A 102 -21.652 5.364 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -22.049 6.928 -9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -22.573 8.467 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -22.318 7.326 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -22.724 8.688 -6.499 1.00 0.00 H new ATOM 1460 N PHE A 103 -17.805 0.476 -7.600 1.00 0.00 N ATOM 1461 CA PHE A 103 -17.498 -0.823 -8.174 1.00 0.00 C ATOM 1462 C PHE A 103 -18.281 -1.933 -7.469 1.00 0.00 C ATOM 1463 O PHE A 103 -18.771 -1.741 -6.357 1.00 0.00 O ATOM 1464 CB PHE A 103 -16.001 -1.061 -7.967 1.00 0.00 C ATOM 1465 CG PHE A 103 -15.123 0.134 -8.344 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -15.101 0.584 -9.627 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -14.365 0.747 -7.395 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -14.286 1.693 -9.977 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -13.550 1.856 -7.745 1.00 0.00 C ATOM 1470 CZ PHE A 103 -13.528 2.305 -9.028 1.00 0.00 C ATOM 0 H PHE A 103 -17.006 1.104 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 103 -17.770 -0.837 -9.229 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -15.825 -1.313 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -15.696 -1.924 -8.558 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -15.704 0.098 -10.380 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -14.383 0.390 -6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -14.268 2.050 -10.996 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -12.948 2.343 -6.992 1.00 0.00 H new ATOM 0 HZ PHE A 103 -12.908 3.148 -9.294 1.00 0.00 H new ATOM 1480 N HIS A 104 -18.374 -3.068 -8.144 1.00 0.00 N ATOM 1481 CA HIS A 104 -19.089 -4.209 -7.597 1.00 0.00 C ATOM 1482 C HIS A 104 -18.358 -4.725 -6.356 1.00 0.00 C ATOM 1483 O HIS A 104 -17.210 -4.358 -6.110 1.00 0.00 O ATOM 1484 CB HIS A 104 -19.286 -5.289 -8.662 1.00 0.00 C ATOM 1485 CG HIS A 104 -20.625 -5.229 -9.357 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -21.779 -5.763 -8.809 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -20.982 -4.693 -10.559 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -22.778 -5.553 -9.653 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -22.282 -4.890 -10.737 1.00 0.00 N ATOM 0 H HIS A 104 -17.966 -3.223 -9.066 1.00 0.00 H new ATOM 0 HA HIS A 104 -20.088 -3.902 -7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -18.497 -5.197 -9.408 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -19.173 -6.268 -8.197 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.319 -4.193 -11.249 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.805 -5.854 -9.508 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -22.822 -4.594 -11.550 1.00 0.00 H new ATOM 1497 N ASP A 105 -19.053 -5.569 -5.607 1.00 0.00 N ATOM 1498 CA ASP A 105 -18.484 -6.139 -4.398 1.00 0.00 C ATOM 1499 C ASP A 105 -18.048 -5.010 -3.462 1.00 0.00 C ATOM 1500 O ASP A 105 -18.875 -4.219 -3.011 1.00 0.00 O ATOM 1501 CB ASP A 105 -17.253 -6.990 -4.717 1.00 0.00 C ATOM 1502 CG ASP A 105 -16.255 -7.140 -3.567 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -16.622 -7.535 -2.450 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -15.037 -6.828 -3.858 1.00 0.00 O ATOM 0 H ASP A 105 -20.005 -5.872 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 105 -19.244 -6.765 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -17.585 -7.982 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -16.737 -6.550 -5.571 1.00 0.00 H new