USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot -140:sc= -1.73 USER MOD Set 1.2: A 21 MET CE :methyl -166:sc= -3.88! (180deg=-4.73!) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.613 K(o=1.4,f=-8.4!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 164:sc= 0.808 (180deg=0) USER MOD Set 3.1: A 2 GLN : amide:sc= -5.99! C(o=-5.2!,f=-15!) USER MOD Set 3.2: A 4 SER OG : rot -45:sc= 0.763 USER MOD Single : A 15 THR OG1 : rot 67:sc= -0.145 USER MOD Single : A 22 MET CE :methyl -172:sc= -4.47! (180deg=-4.87!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 105:sc= 1.12 USER MOD Single : A 28 SER OG : rot 180:sc= -0.365 USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.222 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -149:sc= -8.95! (180deg=-17.7!) USER MOD Single : A 44 GLN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.05! C(o=-3.1!,f=-5!) USER MOD Single : A 47 GLN : amide:sc= -0.881 K(o=-0.88,f=-0.14) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.289 (180deg=-1.49!) USER MOD Single : A 53 THR OG1 : rot 85:sc= -0.388 USER MOD Single : A 54 THR OG1 : rot 150:sc= -3.88! USER MOD Single : A 56 MET CE :methyl -152:sc= -3.1! (180deg=-4.57!) USER MOD Single : A 59 MET CE :methyl 172:sc= -5.07! (180deg=-5.25) USER MOD Single : A 63 TYR OH : rot 137:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.076 0.204 -4.821 1.00 21.34 N ATOM 33 CA GLN A 2 -1.532 1.320 -5.632 1.00 24.32 C ATOM 34 C GLN A 2 -2.293 0.809 -6.857 1.00 11.52 C ATOM 35 O GLN A 2 -1.837 -0.108 -7.538 1.00 13.13 O ATOM 36 CB GLN A 2 -0.359 2.211 -6.047 1.00 31.50 C ATOM 37 CG GLN A 2 0.327 1.665 -7.301 1.00 71.10 C ATOM 38 CD GLN A 2 -0.467 2.022 -8.559 1.00 44.25 C ATOM 39 OE1 GLN A 2 -0.821 1.175 -9.362 1.00 73.25 O ATOM 40 NE2 GLN A 2 -0.725 3.321 -8.686 1.00 25.21 N ATOM 0 HA GLN A 2 -2.212 1.926 -5.033 1.00 24.32 H new ATOM 0 HB2 GLN A 2 -0.716 3.224 -6.235 1.00 31.50 H new ATOM 0 HB3 GLN A 2 0.362 2.273 -5.232 1.00 31.50 H new ATOM 0 HG2 GLN A 2 1.335 2.072 -7.375 1.00 71.10 H new ATOM 0 HG3 GLN A 2 0.426 0.582 -7.224 1.00 71.10 H new ATOM 0 HE21 GLN A 2 -0.399 3.977 -7.976 1.00 25.21 H new ATOM 0 HE22 GLN A 2 -1.249 3.660 -9.493 1.00 25.21 H new ATOM 49 N GLU A 3 -3.440 1.426 -7.100 1.00 13.11 N ATOM 50 CA GLU A 3 -4.269 1.046 -8.231 1.00 34.20 C ATOM 51 C GLU A 3 -3.605 1.469 -9.542 1.00 65.25 C ATOM 52 O GLU A 3 -3.076 2.575 -9.646 1.00 60.41 O ATOM 53 CB GLU A 3 -5.672 1.645 -8.109 1.00 3.20 C ATOM 54 CG GLU A 3 -6.609 0.699 -7.355 1.00 4.42 C ATOM 55 CD GLU A 3 -8.019 1.285 -7.261 1.00 32.41 C ATOM 56 OE1 GLU A 3 -8.883 0.957 -8.088 1.00 63.42 O ATOM 57 OE2 GLU A 3 -8.204 2.107 -6.285 1.00 12.52 O ATOM 0 H GLU A 3 -3.815 2.186 -6.533 1.00 13.11 H new ATOM 0 HA GLU A 3 -4.372 -0.039 -8.232 1.00 34.20 H new ATOM 0 HB2 GLU A 3 -5.619 2.601 -7.588 1.00 3.20 H new ATOM 0 HB3 GLU A 3 -6.074 1.845 -9.102 1.00 3.20 H new ATOM 0 HG2 GLU A 3 -6.645 -0.265 -7.863 1.00 4.42 H new ATOM 0 HG3 GLU A 3 -6.219 0.517 -6.353 1.00 4.42 H new ATOM 65 N SER A 4 -3.653 0.566 -10.511 1.00 43.33 N ATOM 66 CA SER A 4 -3.062 0.832 -11.812 1.00 3.12 C ATOM 67 C SER A 4 -4.109 0.644 -12.911 1.00 32.10 C ATOM 68 O SER A 4 -4.953 -0.247 -12.824 1.00 25.32 O ATOM 69 CB SER A 4 -1.857 -0.076 -12.065 1.00 71.53 C ATOM 70 OG SER A 4 -1.344 -0.632 -10.858 1.00 30.24 O ATOM 0 H SER A 4 -4.092 -0.350 -10.421 1.00 43.33 H new ATOM 0 HA SER A 4 -2.714 1.865 -11.825 1.00 3.12 H new ATOM 0 HB2 SER A 4 -2.145 -0.881 -12.741 1.00 71.53 H new ATOM 0 HB3 SER A 4 -1.073 0.493 -12.564 1.00 71.53 H new ATOM 0 HG SER A 4 -1.288 0.067 -10.174 1.00 30.24 H new ATOM 76 N VAL A 5 -4.021 1.498 -13.920 1.00 73.32 N ATOM 77 CA VAL A 5 -4.951 1.437 -15.035 1.00 70.32 C ATOM 78 C VAL A 5 -4.938 0.026 -15.628 1.00 13.23 C ATOM 79 O VAL A 5 -3.875 -0.563 -15.815 1.00 2.21 O ATOM 80 CB VAL A 5 -4.609 2.519 -16.061 1.00 54.22 C ATOM 81 CG1 VAL A 5 -5.467 2.372 -17.320 1.00 23.22 C ATOM 82 CG2 VAL A 5 -4.760 3.916 -15.455 1.00 74.03 C ATOM 0 H VAL A 5 -3.320 2.236 -13.989 1.00 73.32 H new ATOM 0 HA VAL A 5 -5.967 1.638 -14.696 1.00 70.32 H new ATOM 0 HB VAL A 5 -3.566 2.389 -16.349 1.00 54.22 H new ATOM 0 HG11 VAL A 5 -5.204 3.153 -18.033 1.00 23.22 H new ATOM 0 HG12 VAL A 5 -5.289 1.395 -17.770 1.00 23.22 H new ATOM 0 HG13 VAL A 5 -6.520 2.463 -17.055 1.00 23.22 H new ATOM 0 HG21 VAL A 5 -4.511 4.667 -16.205 1.00 74.03 H new ATOM 0 HG22 VAL A 5 -5.789 4.060 -15.125 1.00 74.03 H new ATOM 0 HG23 VAL A 5 -4.088 4.018 -14.603 1.00 74.03 H new ATOM 92 N VAL A 6 -6.133 -0.475 -15.906 1.00 43.13 N ATOM 93 CA VAL A 6 -6.272 -1.805 -16.474 1.00 34.32 C ATOM 94 C VAL A 6 -7.305 -1.768 -17.602 1.00 42.24 C ATOM 95 O VAL A 6 -8.387 -1.206 -17.440 1.00 41.13 O ATOM 96 CB VAL A 6 -6.625 -2.809 -15.374 1.00 51.20 C ATOM 97 CG1 VAL A 6 -6.939 -4.184 -15.967 1.00 24.02 C ATOM 98 CG2 VAL A 6 -5.505 -2.901 -14.336 1.00 64.33 C ATOM 0 H VAL A 6 -7.013 0.016 -15.748 1.00 43.13 H new ATOM 0 HA VAL A 6 -5.328 -2.135 -16.908 1.00 34.32 H new ATOM 0 HB VAL A 6 -7.521 -2.451 -14.868 1.00 51.20 H new ATOM 0 HG11 VAL A 6 -7.187 -4.879 -15.164 1.00 24.02 H new ATOM 0 HG12 VAL A 6 -7.785 -4.101 -16.649 1.00 24.02 H new ATOM 0 HG13 VAL A 6 -6.069 -4.553 -16.511 1.00 24.02 H new ATOM 0 HG21 VAL A 6 -5.781 -3.621 -13.566 1.00 64.33 H new ATOM 0 HG22 VAL A 6 -4.584 -3.224 -14.822 1.00 64.33 H new ATOM 0 HG23 VAL A 6 -5.350 -1.923 -13.880 1.00 64.33 H new ATOM 108 N ALA A 7 -6.934 -2.373 -18.721 1.00 22.52 N ATOM 109 CA ALA A 7 -7.814 -2.416 -19.876 1.00 71.51 C ATOM 110 C ALA A 7 -9.083 -3.192 -19.516 1.00 61.24 C ATOM 111 O ALA A 7 -9.082 -4.422 -19.509 1.00 24.22 O ATOM 112 CB ALA A 7 -7.070 -3.033 -21.062 1.00 72.23 C ATOM 0 H ALA A 7 -6.035 -2.838 -18.852 1.00 22.52 H new ATOM 0 HA ALA A 7 -8.114 -1.410 -20.168 1.00 71.51 H new ATOM 0 HB1 ALA A 7 -7.730 -3.065 -21.929 1.00 72.23 H new ATOM 0 HB2 ALA A 7 -6.193 -2.429 -21.296 1.00 72.23 H new ATOM 0 HB3 ALA A 7 -6.756 -4.045 -20.808 1.00 72.23 H new ATOM 118 N ALA A 8 -10.135 -2.441 -19.227 1.00 73.11 N ATOM 119 CA ALA A 8 -11.408 -3.043 -18.867 1.00 51.24 C ATOM 120 C ALA A 8 -11.945 -3.840 -20.058 1.00 24.53 C ATOM 121 O ALA A 8 -12.880 -4.626 -19.912 1.00 62.02 O ATOM 122 CB ALA A 8 -12.378 -1.951 -18.412 1.00 75.11 C ATOM 0 H ALA A 8 -10.132 -1.421 -19.235 1.00 73.11 H new ATOM 0 HA ALA A 8 -11.283 -3.736 -18.035 1.00 51.24 H new ATOM 0 HB1 ALA A 8 -13.333 -2.402 -18.142 1.00 75.11 H new ATOM 0 HB2 ALA A 8 -11.963 -1.434 -17.547 1.00 75.11 H new ATOM 0 HB3 ALA A 8 -12.530 -1.238 -19.223 1.00 75.11 H new ATOM 128 N VAL A 9 -11.329 -3.611 -21.208 1.00 73.15 N ATOM 129 CA VAL A 9 -11.733 -4.299 -22.423 1.00 54.42 C ATOM 130 C VAL A 9 -10.544 -4.371 -23.383 1.00 10.41 C ATOM 131 O VAL A 9 -9.537 -3.694 -23.181 1.00 40.20 O ATOM 132 CB VAL A 9 -12.954 -3.607 -23.034 1.00 62.34 C ATOM 133 CG1 VAL A 9 -14.180 -3.763 -22.133 1.00 54.43 C ATOM 134 CG2 VAL A 9 -12.664 -2.132 -23.317 1.00 1.33 C ATOM 0 H VAL A 9 -10.553 -2.959 -21.325 1.00 73.15 H new ATOM 0 HA VAL A 9 -12.033 -5.323 -22.201 1.00 54.42 H new ATOM 0 HB VAL A 9 -13.174 -4.093 -23.985 1.00 62.34 H new ATOM 0 HG11 VAL A 9 -15.034 -3.262 -22.590 1.00 54.43 H new ATOM 0 HG12 VAL A 9 -14.406 -4.822 -22.006 1.00 54.43 H new ATOM 0 HG13 VAL A 9 -13.976 -3.316 -21.160 1.00 54.43 H new ATOM 0 HG21 VAL A 9 -13.548 -1.664 -23.751 1.00 1.33 H new ATOM 0 HG22 VAL A 9 -12.406 -1.627 -22.386 1.00 1.33 H new ATOM 0 HG23 VAL A 9 -11.831 -2.052 -24.016 1.00 1.33 H new ATOM 144 N LEU A 10 -10.700 -5.197 -24.407 1.00 21.24 N ATOM 145 CA LEU A 10 -9.651 -5.366 -25.398 1.00 73.52 C ATOM 146 C LEU A 10 -9.446 -4.048 -26.148 1.00 34.44 C ATOM 147 O LEU A 10 -10.125 -3.781 -27.138 1.00 32.31 O ATOM 148 CB LEU A 10 -9.966 -6.552 -26.313 1.00 44.32 C ATOM 149 CG LEU A 10 -9.215 -6.588 -27.646 1.00 1.40 C ATOM 150 CD1 LEU A 10 -7.855 -7.272 -27.491 1.00 74.02 C ATOM 151 CD2 LEU A 10 -10.065 -7.242 -28.737 1.00 32.03 C ATOM 0 H LEU A 10 -11.537 -5.756 -24.572 1.00 21.24 H new ATOM 0 HA LEU A 10 -8.705 -5.608 -24.914 1.00 73.52 H new ATOM 0 HB2 LEU A 10 -9.748 -7.472 -25.771 1.00 44.32 H new ATOM 0 HB3 LEU A 10 -11.036 -6.551 -26.521 1.00 44.32 H new ATOM 0 HG LEU A 10 -9.025 -5.561 -27.959 1.00 1.40 H new ATOM 0 HD11 LEU A 10 -7.342 -7.284 -28.453 1.00 74.02 H new ATOM 0 HD12 LEU A 10 -7.253 -6.725 -26.766 1.00 74.02 H new ATOM 0 HD13 LEU A 10 -8.000 -8.295 -27.144 1.00 74.02 H new ATOM 0 HD21 LEU A 10 -9.508 -7.255 -29.674 1.00 32.03 H new ATOM 0 HD22 LEU A 10 -10.308 -8.264 -28.445 1.00 32.03 H new ATOM 0 HD23 LEU A 10 -10.986 -6.674 -28.870 1.00 32.03 H new ATOM 163 N ILE A 11 -8.508 -3.259 -25.646 1.00 64.31 N ATOM 164 CA ILE A 11 -8.205 -1.976 -26.256 1.00 2.42 C ATOM 165 C ILE A 11 -7.241 -2.186 -27.425 1.00 41.02 C ATOM 166 O ILE A 11 -6.096 -2.590 -27.226 1.00 12.51 O ATOM 167 CB ILE A 11 -7.690 -0.991 -25.204 1.00 21.11 C ATOM 168 CG1 ILE A 11 -8.267 -1.312 -23.824 1.00 22.14 C ATOM 169 CG2 ILE A 11 -7.972 0.454 -25.621 1.00 24.20 C ATOM 170 CD1 ILE A 11 -8.203 -0.090 -22.905 1.00 74.11 C ATOM 0 H ILE A 11 -7.948 -3.483 -24.824 1.00 64.31 H new ATOM 0 HA ILE A 11 -9.110 -1.526 -26.665 1.00 2.42 H new ATOM 0 HB ILE A 11 -6.608 -1.101 -25.134 1.00 21.11 H new ATOM 0 HG12 ILE A 11 -9.301 -1.641 -23.926 1.00 22.14 H new ATOM 0 HG13 ILE A 11 -7.712 -2.137 -23.377 1.00 22.14 H new ATOM 0 HG21 ILE A 11 -7.596 1.133 -24.856 1.00 24.20 H new ATOM 0 HG22 ILE A 11 -7.475 0.663 -26.568 1.00 24.20 H new ATOM 0 HG23 ILE A 11 -9.047 0.596 -25.736 1.00 24.20 H new ATOM 0 HD11 ILE A 11 -8.619 -0.345 -21.931 1.00 74.11 H new ATOM 0 HD12 ILE A 11 -7.165 0.222 -22.786 1.00 74.11 H new ATOM 0 HD13 ILE A 11 -8.779 0.725 -23.343 1.00 74.11 H new ATOM 182 N PRO A 12 -7.753 -1.895 -28.651 1.00 63.53 N ATOM 183 CA PRO A 12 -6.950 -2.049 -29.853 1.00 11.43 C ATOM 184 C PRO A 12 -5.925 -0.919 -29.975 1.00 22.51 C ATOM 185 O PRO A 12 -5.942 0.027 -29.190 1.00 14.40 O ATOM 186 CB PRO A 12 -7.952 -2.067 -30.996 1.00 31.45 C ATOM 187 CG PRO A 12 -9.230 -1.461 -30.439 1.00 50.33 C ATOM 188 CD PRO A 12 -9.104 -1.415 -28.925 1.00 60.43 C ATOM 0 HA PRO A 12 -6.355 -2.963 -29.848 1.00 11.43 H new ATOM 0 HB2 PRO A 12 -7.585 -1.492 -31.846 1.00 31.45 H new ATOM 0 HB3 PRO A 12 -8.123 -3.084 -31.349 1.00 31.45 H new ATOM 0 HG2 PRO A 12 -9.383 -0.459 -30.840 1.00 50.33 H new ATOM 0 HG3 PRO A 12 -10.094 -2.057 -30.732 1.00 50.33 H new ATOM 0 HD2 PRO A 12 -9.249 -0.403 -28.546 1.00 60.43 H new ATOM 0 HD3 PRO A 12 -9.853 -2.045 -28.446 1.00 60.43 H new ATOM 196 N ILE A 13 -5.056 -1.057 -30.966 1.00 22.05 N ATOM 197 CA ILE A 13 -4.025 -0.060 -31.201 1.00 31.23 C ATOM 198 C ILE A 13 -4.676 1.234 -31.693 1.00 31.11 C ATOM 199 O ILE A 13 -5.770 1.208 -32.255 1.00 61.01 O ATOM 200 CB ILE A 13 -2.955 -0.609 -32.147 1.00 11.23 C ATOM 201 CG1 ILE A 13 -1.942 0.476 -32.517 1.00 1.42 C ATOM 202 CG2 ILE A 13 -3.591 -1.245 -33.384 1.00 54.02 C ATOM 203 CD1 ILE A 13 -0.643 -0.141 -33.039 1.00 31.20 C ATOM 0 H ILE A 13 -5.045 -1.844 -31.615 1.00 22.05 H new ATOM 0 HA ILE A 13 -3.505 0.177 -30.273 1.00 31.23 H new ATOM 0 HB ILE A 13 -2.409 -1.395 -31.626 1.00 11.23 H new ATOM 0 HG12 ILE A 13 -2.368 1.132 -33.276 1.00 1.42 H new ATOM 0 HG13 ILE A 13 -1.730 1.094 -31.644 1.00 1.42 H new ATOM 0 HG21 ILE A 13 -2.809 -1.627 -34.040 1.00 54.02 H new ATOM 0 HG22 ILE A 13 -4.241 -2.065 -33.078 1.00 54.02 H new ATOM 0 HG23 ILE A 13 -4.178 -0.497 -33.917 1.00 54.02 H new ATOM 0 HD11 ILE A 13 0.060 0.652 -33.295 1.00 31.20 H new ATOM 0 HD12 ILE A 13 -0.207 -0.777 -32.269 1.00 31.20 H new ATOM 0 HD13 ILE A 13 -0.855 -0.738 -33.926 1.00 31.20 H new ATOM 215 N ASN A 14 -3.976 2.335 -31.464 1.00 11.22 N ATOM 216 CA ASN A 14 -4.472 3.637 -31.877 1.00 33.01 C ATOM 217 C ASN A 14 -5.974 3.719 -31.594 1.00 63.10 C ATOM 218 O ASN A 14 -6.755 4.085 -32.471 1.00 10.35 O ATOM 219 CB ASN A 14 -4.261 3.856 -33.376 1.00 50.51 C ATOM 220 CG ASN A 14 -2.875 4.442 -33.655 1.00 13.44 C ATOM 221 OD1 ASN A 14 -2.545 5.543 -33.246 1.00 2.40 O ATOM 222 ND2 ASN A 14 -2.086 3.647 -34.371 1.00 41.32 N ATOM 0 H ASN A 14 -3.069 2.352 -30.998 1.00 11.22 H new ATOM 0 HA ASN A 14 -3.925 4.398 -31.321 1.00 33.01 H new ATOM 0 HB2 ASN A 14 -4.373 2.909 -33.905 1.00 50.51 H new ATOM 0 HB3 ASN A 14 -5.028 4.528 -33.760 1.00 50.51 H new ATOM 0 HD21 ASN A 14 -1.141 3.947 -34.610 1.00 41.32 H new ATOM 0 HD22 ASN A 14 -2.426 2.737 -34.682 1.00 41.32 H new ATOM 229 N THR A 15 -6.332 3.372 -30.367 1.00 30.53 N ATOM 230 CA THR A 15 -7.726 3.401 -29.957 1.00 41.24 C ATOM 231 C THR A 15 -7.924 4.396 -28.813 1.00 15.54 C ATOM 232 O THR A 15 -7.381 4.213 -27.724 1.00 72.14 O ATOM 233 CB THR A 15 -8.144 1.973 -29.601 1.00 14.43 C ATOM 234 OG1 THR A 15 -8.023 1.259 -30.828 1.00 13.41 O ATOM 235 CG2 THR A 15 -9.631 1.868 -29.254 1.00 2.35 C ATOM 0 H THR A 15 -5.681 3.069 -29.643 1.00 30.53 H new ATOM 0 HA THR A 15 -8.369 3.751 -30.765 1.00 41.24 H new ATOM 0 HB THR A 15 -7.548 1.620 -28.759 1.00 14.43 H new ATOM 0 HG1 THR A 15 -7.079 1.212 -31.088 1.00 13.41 H new ATOM 0 HG21 THR A 15 -9.875 0.834 -29.009 1.00 2.35 H new ATOM 0 HG22 THR A 15 -9.851 2.505 -28.398 1.00 2.35 H new ATOM 0 HG23 THR A 15 -10.227 2.189 -30.108 1.00 2.35 H new ATOM 243 N ALA A 16 -8.704 5.429 -29.097 1.00 74.13 N ATOM 244 CA ALA A 16 -8.981 6.454 -28.105 1.00 75.40 C ATOM 245 C ALA A 16 -9.450 5.789 -26.809 1.00 52.11 C ATOM 246 O ALA A 16 -10.404 5.013 -26.815 1.00 71.53 O ATOM 247 CB ALA A 16 -10.012 7.438 -28.661 1.00 73.15 C ATOM 0 H ALA A 16 -9.153 5.578 -30.001 1.00 74.13 H new ATOM 0 HA ALA A 16 -8.079 7.022 -27.877 1.00 75.40 H new ATOM 0 HB1 ALA A 16 -10.220 8.207 -27.917 1.00 73.15 H new ATOM 0 HB2 ALA A 16 -9.619 7.904 -29.565 1.00 73.15 H new ATOM 0 HB3 ALA A 16 -10.933 6.905 -28.898 1.00 73.15 H new ATOM 253 N LEU A 17 -8.758 6.118 -25.729 1.00 3.43 N ATOM 254 CA LEU A 17 -9.091 5.563 -24.428 1.00 11.21 C ATOM 255 C LEU A 17 -10.297 6.310 -23.853 1.00 64.23 C ATOM 256 O LEU A 17 -10.411 7.524 -24.010 1.00 13.41 O ATOM 257 CB LEU A 17 -7.867 5.574 -23.511 1.00 4.32 C ATOM 258 CG LEU A 17 -6.700 4.681 -23.938 1.00 51.25 C ATOM 259 CD1 LEU A 17 -5.432 5.022 -23.153 1.00 32.20 C ATOM 260 CD2 LEU A 17 -7.069 3.201 -23.817 1.00 54.41 C ATOM 0 H LEU A 17 -7.967 6.762 -25.728 1.00 3.43 H new ATOM 0 HA LEU A 17 -9.379 4.516 -24.523 1.00 11.21 H new ATOM 0 HB2 LEU A 17 -7.505 6.599 -23.434 1.00 4.32 H new ATOM 0 HB3 LEU A 17 -8.183 5.272 -22.513 1.00 4.32 H new ATOM 0 HG LEU A 17 -6.489 4.875 -24.990 1.00 51.25 H new ATOM 0 HD11 LEU A 17 -4.618 4.373 -23.476 1.00 32.20 H new ATOM 0 HD12 LEU A 17 -5.160 6.062 -23.335 1.00 32.20 H new ATOM 0 HD13 LEU A 17 -5.613 4.875 -22.088 1.00 32.20 H new ATOM 0 HD21 LEU A 17 -6.222 2.588 -24.127 1.00 54.41 H new ATOM 0 HD22 LEU A 17 -7.323 2.973 -22.782 1.00 54.41 H new ATOM 0 HD23 LEU A 17 -7.925 2.986 -24.456 1.00 54.41 H new ATOM 272 N THR A 18 -11.165 5.552 -23.200 1.00 52.00 N ATOM 273 CA THR A 18 -12.358 6.127 -22.601 1.00 61.22 C ATOM 274 C THR A 18 -12.444 5.754 -21.120 1.00 24.20 C ATOM 275 O THR A 18 -11.661 4.937 -20.635 1.00 55.44 O ATOM 276 CB THR A 18 -13.567 5.662 -23.416 1.00 3.12 C ATOM 277 OG1 THR A 18 -13.261 4.311 -23.751 1.00 50.30 O ATOM 278 CG2 THR A 18 -13.667 6.368 -24.769 1.00 52.34 C ATOM 0 H THR A 18 -11.066 4.545 -23.072 1.00 52.00 H new ATOM 0 HA THR A 18 -12.329 7.216 -22.628 1.00 61.22 H new ATOM 0 HB THR A 18 -14.479 5.839 -22.846 1.00 3.12 H new ATOM 0 HG1 THR A 18 -13.542 4.131 -24.673 1.00 50.30 H new ATOM 0 HG21 THR A 18 -14.541 6.002 -25.307 1.00 52.34 H new ATOM 0 HG22 THR A 18 -13.761 7.443 -24.613 1.00 52.34 H new ATOM 0 HG23 THR A 18 -12.770 6.164 -25.353 1.00 52.34 H new ATOM 286 N VAL A 19 -13.401 6.370 -20.442 1.00 62.10 N ATOM 287 CA VAL A 19 -13.599 6.113 -19.026 1.00 20.23 C ATOM 288 C VAL A 19 -14.336 4.784 -18.851 1.00 75.33 C ATOM 289 O VAL A 19 -14.403 4.247 -17.747 1.00 22.24 O ATOM 290 CB VAL A 19 -14.329 7.291 -18.377 1.00 64.01 C ATOM 291 CG1 VAL A 19 -15.845 7.103 -18.449 1.00 13.21 C ATOM 292 CG2 VAL A 19 -13.869 7.492 -16.932 1.00 3.12 C ATOM 0 H VAL A 19 -14.048 7.047 -20.847 1.00 62.10 H new ATOM 0 HA VAL A 19 -12.639 6.022 -18.517 1.00 20.23 H new ATOM 0 HB VAL A 19 -14.076 8.191 -18.937 1.00 64.01 H new ATOM 0 HG11 VAL A 19 -16.340 7.954 -17.981 1.00 13.21 H new ATOM 0 HG12 VAL A 19 -16.154 7.032 -19.492 1.00 13.21 H new ATOM 0 HG13 VAL A 19 -16.123 6.188 -17.926 1.00 13.21 H new ATOM 0 HG21 VAL A 19 -14.403 8.335 -16.494 1.00 3.12 H new ATOM 0 HG22 VAL A 19 -14.078 6.591 -16.355 1.00 3.12 H new ATOM 0 HG23 VAL A 19 -12.798 7.693 -16.916 1.00 3.12 H new ATOM 302 N GLY A 20 -14.872 4.291 -19.958 1.00 51.14 N ATOM 303 CA GLY A 20 -15.602 3.035 -19.942 1.00 33.01 C ATOM 304 C GLY A 20 -14.770 1.909 -20.558 1.00 60.22 C ATOM 305 O GLY A 20 -15.283 0.820 -20.812 1.00 54.34 O ATOM 0 H GLY A 20 -14.815 4.739 -20.872 1.00 51.14 H new ATOM 0 HA2 GLY A 20 -15.867 2.777 -18.917 1.00 33.01 H new ATOM 0 HA3 GLY A 20 -16.535 3.146 -20.494 1.00 33.01 H new ATOM 309 N MET A 21 -13.499 2.209 -20.781 1.00 0.22 N ATOM 310 CA MET A 21 -12.591 1.236 -21.363 1.00 24.34 C ATOM 311 C MET A 21 -11.488 0.855 -20.373 1.00 5.11 C ATOM 312 O MET A 21 -11.014 -0.280 -20.372 1.00 63.03 O ATOM 313 CB MET A 21 -11.961 1.818 -22.630 1.00 32.03 C ATOM 314 CG MET A 21 -12.686 1.319 -23.881 1.00 70.42 C ATOM 315 SD MET A 21 -11.508 1.007 -25.185 1.00 61.34 S ATOM 316 CE MET A 21 -10.602 2.545 -25.159 1.00 71.51 C ATOM 0 H MET A 21 -13.076 3.113 -20.569 1.00 0.22 H new ATOM 0 HA MET A 21 -13.159 0.339 -21.609 1.00 24.34 H new ATOM 0 HB2 MET A 21 -12.000 2.907 -22.593 1.00 32.03 H new ATOM 0 HB3 MET A 21 -10.909 1.538 -22.679 1.00 32.03 H new ATOM 0 HG2 MET A 21 -13.238 0.407 -23.652 1.00 70.42 H new ATOM 0 HG3 MET A 21 -13.416 2.060 -24.208 1.00 70.42 H new ATOM 0 HE1 MET A 21 -9.997 2.626 -26.062 1.00 71.51 H new ATOM 0 HE2 MET A 21 -11.302 3.379 -25.116 1.00 71.51 H new ATOM 0 HE3 MET A 21 -9.953 2.570 -24.284 1.00 71.51 H new ATOM 326 N MET A 22 -11.111 1.826 -19.554 1.00 23.01 N ATOM 327 CA MET A 22 -10.072 1.607 -18.561 1.00 73.04 C ATOM 328 C MET A 22 -10.680 1.309 -17.189 1.00 64.30 C ATOM 329 O MET A 22 -11.887 1.446 -16.997 1.00 62.14 O ATOM 330 CB MET A 22 -9.185 2.850 -18.468 1.00 20.11 C ATOM 331 CG MET A 22 -8.374 3.042 -19.751 1.00 51.31 C ATOM 332 SD MET A 22 -7.668 4.681 -19.787 1.00 52.41 S ATOM 333 CE MET A 22 -9.139 5.646 -20.090 1.00 33.12 C ATOM 0 H MET A 22 -11.506 2.766 -19.557 1.00 23.01 H new ATOM 0 HA MET A 22 -9.476 0.747 -18.868 1.00 73.04 H new ATOM 0 HB2 MET A 22 -9.803 3.730 -18.289 1.00 20.11 H new ATOM 0 HB3 MET A 22 -8.510 2.757 -17.617 1.00 20.11 H new ATOM 0 HG2 MET A 22 -7.582 2.295 -19.806 1.00 51.31 H new ATOM 0 HG3 MET A 22 -9.014 2.893 -20.621 1.00 51.31 H new ATOM 0 HE1 MET A 22 -8.861 6.682 -20.283 1.00 33.12 H new ATOM 0 HE2 MET A 22 -9.666 5.244 -20.956 1.00 33.12 H new ATOM 0 HE3 MET A 22 -9.790 5.602 -19.217 1.00 33.12 H new ATOM 343 N THR A 23 -9.815 0.906 -16.270 1.00 2.24 N ATOM 344 CA THR A 23 -10.251 0.587 -14.921 1.00 2.34 C ATOM 345 C THR A 23 -9.066 0.627 -13.954 1.00 22.22 C ATOM 346 O THR A 23 -7.914 0.701 -14.380 1.00 54.41 O ATOM 347 CB THR A 23 -10.958 -0.769 -14.960 1.00 43.05 C ATOM 348 OG1 THR A 23 -11.760 -0.777 -13.783 1.00 52.10 O ATOM 349 CG2 THR A 23 -9.992 -1.939 -14.761 1.00 1.21 C ATOM 0 H THR A 23 -8.814 0.793 -16.433 1.00 2.24 H new ATOM 0 HA THR A 23 -10.959 1.328 -14.549 1.00 2.34 H new ATOM 0 HB THR A 23 -11.473 -0.882 -15.914 1.00 43.05 H new ATOM 0 HG1 THR A 23 -12.255 -1.621 -13.730 1.00 52.10 H new ATOM 0 HG21 THR A 23 -10.545 -2.878 -14.797 1.00 1.21 H new ATOM 0 HG22 THR A 23 -9.241 -1.929 -15.551 1.00 1.21 H new ATOM 0 HG23 THR A 23 -9.501 -1.845 -13.793 1.00 1.21 H new ATOM 357 N THR A 24 -9.389 0.575 -12.670 1.00 23.21 N ATOM 358 CA THR A 24 -8.365 0.604 -11.639 1.00 31.30 C ATOM 359 C THR A 24 -8.325 -0.730 -10.890 1.00 0.20 C ATOM 360 O THR A 24 -9.351 -1.205 -10.406 1.00 21.03 O ATOM 361 CB THR A 24 -8.643 1.803 -10.730 1.00 61.14 C ATOM 362 OG1 THR A 24 -9.952 1.558 -10.223 1.00 24.03 O ATOM 363 CG2 THR A 24 -8.785 3.110 -11.513 1.00 75.10 C ATOM 0 H THR A 24 -10.345 0.513 -12.320 1.00 23.21 H new ATOM 0 HA THR A 24 -7.372 0.729 -12.071 1.00 31.30 H new ATOM 0 HB THR A 24 -7.838 1.901 -10.002 1.00 61.14 H new ATOM 0 HG1 THR A 24 -9.892 1.267 -9.289 1.00 24.03 H new ATOM 0 HG21 THR A 24 -8.981 3.929 -10.821 1.00 75.10 H new ATOM 0 HG22 THR A 24 -7.863 3.309 -12.059 1.00 75.10 H new ATOM 0 HG23 THR A 24 -9.612 3.024 -12.218 1.00 75.10 H new ATOM 371 N ARG A 25 -7.129 -1.296 -10.818 1.00 52.23 N ATOM 372 CA ARG A 25 -6.942 -2.565 -10.136 1.00 62.24 C ATOM 373 C ARG A 25 -5.475 -2.744 -9.741 1.00 4.42 C ATOM 374 O ARG A 25 -4.577 -2.306 -10.459 1.00 22.12 O ATOM 375 CB ARG A 25 -7.369 -3.736 -11.024 1.00 55.41 C ATOM 376 CG ARG A 25 -8.481 -4.551 -10.359 1.00 44.41 C ATOM 377 CD ARG A 25 -9.789 -4.436 -11.144 1.00 31.23 C ATOM 378 NE ARG A 25 -10.418 -5.769 -11.276 1.00 60.42 N ATOM 379 CZ ARG A 25 -11.742 -5.968 -11.451 1.00 42.35 C ATOM 380 NH1 ARG A 25 -12.589 -4.919 -11.517 1.00 10.31 N ATOM 381 NH2 ARG A 25 -12.195 -7.203 -11.558 1.00 14.23 N ATOM 0 H ARG A 25 -6.280 -0.899 -11.221 1.00 52.23 H new ATOM 0 HA ARG A 25 -7.565 -2.555 -9.242 1.00 62.24 H new ATOM 0 HB2 ARG A 25 -7.715 -3.360 -11.987 1.00 55.41 H new ATOM 0 HB3 ARG A 25 -6.511 -4.378 -11.222 1.00 55.41 H new ATOM 0 HG2 ARG A 25 -8.182 -5.597 -10.295 1.00 44.41 H new ATOM 0 HG3 ARG A 25 -8.633 -4.200 -9.338 1.00 44.41 H new ATOM 0 HD2 ARG A 25 -10.469 -3.752 -10.636 1.00 31.23 H new ATOM 0 HD3 ARG A 25 -9.595 -4.017 -12.131 1.00 31.23 H new ATOM 0 HE ARG A 25 -9.813 -6.589 -11.232 1.00 60.42 H new ATOM 0 HH11 ARG A 25 -12.230 -3.968 -11.435 1.00 10.31 H new ATOM 0 HH12 ARG A 25 -13.588 -5.078 -11.649 1.00 10.31 H new ATOM 0 HH21 ARG A 25 -11.548 -7.990 -11.508 1.00 14.23 H new ATOM 0 HH22 ARG A 25 -13.192 -7.371 -11.691 1.00 14.23 H new ATOM 394 N VAL A 26 -5.277 -3.387 -8.600 1.00 24.13 N ATOM 395 CA VAL A 26 -3.934 -3.629 -8.100 1.00 43.30 C ATOM 396 C VAL A 26 -3.295 -4.769 -8.896 1.00 55.32 C ATOM 397 O VAL A 26 -3.275 -5.912 -8.443 1.00 3.25 O ATOM 398 CB VAL A 26 -3.977 -3.901 -6.595 1.00 65.41 C ATOM 399 CG1 VAL A 26 -2.567 -3.917 -6.001 1.00 21.54 C ATOM 400 CG2 VAL A 26 -4.863 -2.881 -5.878 1.00 44.10 C ATOM 0 H VAL A 26 -6.024 -3.748 -8.007 1.00 24.13 H new ATOM 0 HA VAL A 26 -3.310 -2.746 -8.239 1.00 43.30 H new ATOM 0 HB VAL A 26 -4.415 -4.888 -6.445 1.00 65.41 H new ATOM 0 HG11 VAL A 26 -2.625 -4.112 -4.930 1.00 21.54 H new ATOM 0 HG12 VAL A 26 -1.979 -4.699 -6.481 1.00 21.54 H new ATOM 0 HG13 VAL A 26 -2.091 -2.951 -6.168 1.00 21.54 H new ATOM 0 HG21 VAL A 26 -4.876 -3.097 -4.810 1.00 44.10 H new ATOM 0 HG22 VAL A 26 -4.468 -1.878 -6.040 1.00 44.10 H new ATOM 0 HG23 VAL A 26 -5.878 -2.939 -6.272 1.00 44.10 H new ATOM 410 N VAL A 27 -2.790 -4.418 -10.070 1.00 14.23 N ATOM 411 CA VAL A 27 -2.153 -5.397 -10.933 1.00 72.34 C ATOM 412 C VAL A 27 -0.638 -5.187 -10.905 1.00 50.32 C ATOM 413 O VAL A 27 -0.164 -4.108 -10.553 1.00 52.52 O ATOM 414 CB VAL A 27 -2.742 -5.314 -12.343 1.00 53.00 C ATOM 415 CG1 VAL A 27 -4.270 -5.238 -12.295 1.00 44.23 C ATOM 416 CG2 VAL A 27 -2.158 -4.128 -13.112 1.00 43.51 C ATOM 0 H VAL A 27 -2.809 -3.469 -10.443 1.00 14.23 H new ATOM 0 HA VAL A 27 -2.348 -6.407 -10.573 1.00 72.34 H new ATOM 0 HB VAL A 27 -2.468 -6.225 -12.875 1.00 53.00 H new ATOM 0 HG11 VAL A 27 -4.663 -5.180 -13.310 1.00 44.23 H new ATOM 0 HG12 VAL A 27 -4.663 -6.128 -11.804 1.00 44.23 H new ATOM 0 HG13 VAL A 27 -4.573 -4.352 -11.737 1.00 44.23 H new ATOM 0 HG21 VAL A 27 -2.593 -4.092 -14.111 1.00 43.51 H new ATOM 0 HG22 VAL A 27 -2.387 -3.203 -12.583 1.00 43.51 H new ATOM 0 HG23 VAL A 27 -1.077 -4.243 -13.191 1.00 43.51 H new ATOM 426 N SER A 28 0.080 -6.235 -11.281 1.00 1.14 N ATOM 427 CA SER A 28 1.532 -6.178 -11.303 1.00 32.32 C ATOM 428 C SER A 28 2.053 -6.645 -12.664 1.00 11.34 C ATOM 429 O SER A 28 1.581 -7.644 -13.204 1.00 1.20 O ATOM 430 CB SER A 28 2.133 -7.031 -10.184 1.00 3.44 C ATOM 431 OG SER A 28 3.368 -6.498 -9.712 1.00 62.10 O ATOM 0 H SER A 28 -0.316 -7.128 -11.573 1.00 1.14 H new ATOM 0 HA SER A 28 1.837 -5.144 -11.139 1.00 32.32 H new ATOM 0 HB2 SER A 28 1.426 -7.095 -9.357 1.00 3.44 H new ATOM 0 HB3 SER A 28 2.291 -8.046 -10.547 1.00 3.44 H new ATOM 0 HG SER A 28 3.719 -7.069 -8.997 1.00 62.10 H new ATOM 437 N PRO A 29 3.045 -5.879 -13.192 1.00 71.13 N ATOM 438 CA PRO A 29 3.546 -4.712 -12.487 1.00 22.02 C ATOM 439 C PRO A 29 2.555 -3.550 -12.575 1.00 51.02 C ATOM 440 O PRO A 29 1.772 -3.468 -13.520 1.00 50.23 O ATOM 441 CB PRO A 29 4.884 -4.403 -13.139 1.00 11.41 C ATOM 442 CG PRO A 29 4.868 -5.115 -14.482 1.00 33.04 C ATOM 443 CD PRO A 29 3.713 -6.103 -14.471 1.00 31.30 C ATOM 0 HA PRO A 29 3.670 -4.887 -11.418 1.00 22.02 H new ATOM 0 HB2 PRO A 29 5.017 -3.329 -13.268 1.00 11.41 H new ATOM 0 HB3 PRO A 29 5.710 -4.754 -12.521 1.00 11.41 H new ATOM 0 HG2 PRO A 29 4.749 -4.397 -15.293 1.00 33.04 H new ATOM 0 HG3 PRO A 29 5.812 -5.633 -14.651 1.00 33.04 H new ATOM 0 HD2 PRO A 29 3.036 -5.929 -15.307 1.00 31.30 H new ATOM 0 HD3 PRO A 29 4.069 -7.130 -14.557 1.00 31.30 H new ATOM 451 N THR A 30 2.621 -2.681 -11.578 1.00 11.44 N ATOM 452 CA THR A 30 1.739 -1.527 -11.531 1.00 11.32 C ATOM 453 C THR A 30 2.080 -0.549 -12.657 1.00 51.01 C ATOM 454 O THR A 30 3.191 -0.025 -12.713 1.00 41.55 O ATOM 455 CB THR A 30 1.844 -0.907 -10.136 1.00 22.42 C ATOM 456 OG1 THR A 30 3.244 -0.881 -9.872 1.00 63.23 O ATOM 457 CG2 THR A 30 1.277 -1.819 -9.046 1.00 20.30 C ATOM 0 H THR A 30 3.272 -2.752 -10.796 1.00 11.44 H new ATOM 0 HA THR A 30 0.701 -1.816 -11.697 1.00 11.32 H new ATOM 0 HB THR A 30 1.317 0.047 -10.122 1.00 22.42 H new ATOM 0 HG1 THR A 30 3.724 -0.602 -10.680 1.00 63.23 H new ATOM 0 HG21 THR A 30 1.376 -1.332 -8.076 1.00 20.30 H new ATOM 0 HG22 THR A 30 0.224 -2.016 -9.247 1.00 20.30 H new ATOM 0 HG23 THR A 30 1.826 -2.760 -9.037 1.00 20.30 H new ATOM 465 N GLY A 31 1.103 -0.333 -13.526 1.00 23.20 N ATOM 466 CA GLY A 31 1.286 0.572 -14.648 1.00 11.34 C ATOM 467 C GLY A 31 0.750 1.967 -14.319 1.00 4.42 C ATOM 468 O GLY A 31 0.724 2.368 -13.156 1.00 71.11 O ATOM 0 H GLY A 31 0.182 -0.769 -13.476 1.00 23.20 H new ATOM 0 HA2 GLY A 31 2.345 0.635 -14.900 1.00 11.34 H new ATOM 0 HA3 GLY A 31 0.772 0.178 -15.525 1.00 11.34 H new ATOM 472 N ILE A 32 0.337 2.669 -15.364 1.00 10.12 N ATOM 473 CA ILE A 32 -0.196 4.011 -15.201 1.00 33.23 C ATOM 474 C ILE A 32 -1.079 4.056 -13.952 1.00 75.32 C ATOM 475 O ILE A 32 -1.798 3.101 -13.661 1.00 72.12 O ATOM 476 CB ILE A 32 -0.911 4.462 -16.476 1.00 50.01 C ATOM 477 CG1 ILE A 32 0.063 4.534 -17.654 1.00 11.50 C ATOM 478 CG2 ILE A 32 -1.643 5.787 -16.255 1.00 3.41 C ATOM 479 CD1 ILE A 32 -0.671 4.354 -18.984 1.00 71.22 C ATOM 0 H ILE A 32 0.361 2.334 -16.327 1.00 10.12 H new ATOM 0 HA ILE A 32 0.612 4.726 -15.047 1.00 33.23 H new ATOM 0 HB ILE A 32 -1.665 3.716 -16.727 1.00 50.01 H new ATOM 0 HG12 ILE A 32 0.578 5.494 -17.646 1.00 11.50 H new ATOM 0 HG13 ILE A 32 0.825 3.762 -17.548 1.00 11.50 H new ATOM 0 HG21 ILE A 32 -2.143 6.085 -17.177 1.00 3.41 H new ATOM 0 HG22 ILE A 32 -2.383 5.666 -15.464 1.00 3.41 H new ATOM 0 HG23 ILE A 32 -0.926 6.555 -15.967 1.00 3.41 H new ATOM 0 HD11 ILE A 32 0.044 4.409 -19.805 1.00 71.22 H new ATOM 0 HD12 ILE A 32 -1.165 3.383 -18.998 1.00 71.22 H new ATOM 0 HD13 ILE A 32 -1.416 5.142 -19.098 1.00 71.22 H new ATOM 491 N PRO A 33 -0.994 5.204 -13.229 1.00 15.30 N ATOM 492 CA PRO A 33 -1.777 5.386 -12.018 1.00 52.25 C ATOM 493 C PRO A 33 -3.245 5.663 -12.351 1.00 2.22 C ATOM 494 O PRO A 33 -3.550 6.252 -13.387 1.00 21.02 O ATOM 495 CB PRO A 33 -1.107 6.537 -11.286 1.00 23.34 C ATOM 496 CG PRO A 33 -0.263 7.258 -12.324 1.00 71.55 C ATOM 497 CD PRO A 33 -0.154 6.356 -13.543 1.00 51.14 C ATOM 0 HA PRO A 33 -1.799 4.493 -11.393 1.00 52.25 H new ATOM 0 HB2 PRO A 33 -1.848 7.208 -10.852 1.00 23.34 H new ATOM 0 HB3 PRO A 33 -0.489 6.171 -10.466 1.00 23.34 H new ATOM 0 HG2 PRO A 33 -0.720 8.210 -12.593 1.00 71.55 H new ATOM 0 HG3 PRO A 33 0.726 7.481 -11.924 1.00 71.55 H new ATOM 0 HD2 PRO A 33 -0.499 6.864 -14.443 1.00 51.14 H new ATOM 0 HD3 PRO A 33 0.878 6.056 -13.722 1.00 51.14 H new ATOM 505 N ALA A 34 -4.115 5.226 -11.452 1.00 64.23 N ATOM 506 CA ALA A 34 -5.543 5.419 -11.637 1.00 42.40 C ATOM 507 C ALA A 34 -5.847 6.918 -11.690 1.00 33.22 C ATOM 508 O ALA A 34 -6.931 7.320 -12.111 1.00 44.30 O ATOM 509 CB ALA A 34 -6.304 4.709 -10.516 1.00 23.03 C ATOM 0 H ALA A 34 -3.858 4.739 -10.593 1.00 64.23 H new ATOM 0 HA ALA A 34 -5.871 4.982 -12.580 1.00 42.40 H new ATOM 0 HB1 ALA A 34 -7.375 4.854 -10.655 1.00 23.03 H new ATOM 0 HB2 ALA A 34 -6.076 3.643 -10.540 1.00 23.03 H new ATOM 0 HB3 ALA A 34 -6.004 5.123 -9.553 1.00 23.03 H new ATOM 515 N GLU A 35 -4.872 7.703 -11.256 1.00 71.04 N ATOM 516 CA GLU A 35 -5.022 9.148 -11.249 1.00 12.30 C ATOM 517 C GLU A 35 -4.781 9.714 -12.650 1.00 3.22 C ATOM 518 O GLU A 35 -4.873 10.923 -12.859 1.00 74.33 O ATOM 519 CB GLU A 35 -4.082 9.792 -10.228 1.00 30.10 C ATOM 520 CG GLU A 35 -2.650 9.854 -10.764 1.00 54.41 C ATOM 521 CD GLU A 35 -1.634 9.809 -9.621 1.00 34.01 C ATOM 522 OE1 GLU A 35 -0.886 10.777 -9.418 1.00 33.34 O ATOM 523 OE2 GLU A 35 -1.640 8.720 -8.930 1.00 25.41 O ATOM 0 H GLU A 35 -3.975 7.366 -10.907 1.00 71.04 H new ATOM 0 HA GLU A 35 -6.044 9.386 -10.953 1.00 12.30 H new ATOM 0 HB2 GLU A 35 -4.430 10.798 -9.992 1.00 30.10 H new ATOM 0 HB3 GLU A 35 -4.102 9.222 -9.299 1.00 30.10 H new ATOM 0 HG2 GLU A 35 -2.476 9.019 -11.443 1.00 54.41 H new ATOM 0 HG3 GLU A 35 -2.513 10.769 -11.341 1.00 54.41 H new ATOM 531 N ASP A 36 -4.476 8.814 -13.573 1.00 24.24 N ATOM 532 CA ASP A 36 -4.220 9.208 -14.947 1.00 50.25 C ATOM 533 C ASP A 36 -5.342 8.679 -15.842 1.00 74.34 C ATOM 534 O ASP A 36 -5.342 8.914 -17.050 1.00 23.12 O ATOM 535 CB ASP A 36 -2.899 8.625 -15.451 1.00 65.33 C ATOM 536 CG ASP A 36 -1.674 9.516 -15.235 1.00 41.11 C ATOM 537 OD1 ASP A 36 -1.609 10.289 -14.268 1.00 14.13 O ATOM 538 OD2 ASP A 36 -0.746 9.393 -16.123 1.00 32.40 O ATOM 0 H ASP A 36 -4.400 7.812 -13.396 1.00 24.24 H new ATOM 0 HA ASP A 36 -4.170 10.296 -14.981 1.00 50.25 H new ATOM 0 HB2 ASP A 36 -2.727 7.670 -14.954 1.00 65.33 H new ATOM 0 HB3 ASP A 36 -2.994 8.417 -16.517 1.00 65.33 H new ATOM 544 N ILE A 37 -6.273 7.974 -15.216 1.00 23.42 N ATOM 545 CA ILE A 37 -7.398 7.409 -15.940 1.00 75.23 C ATOM 546 C ILE A 37 -8.094 8.515 -16.736 1.00 13.23 C ATOM 547 O ILE A 37 -8.369 8.352 -17.923 1.00 60.14 O ATOM 548 CB ILE A 37 -8.329 6.660 -14.985 1.00 34.15 C ATOM 549 CG1 ILE A 37 -7.931 5.187 -14.873 1.00 21.12 C ATOM 550 CG2 ILE A 37 -9.792 6.828 -15.400 1.00 53.10 C ATOM 551 CD1 ILE A 37 -9.020 4.376 -14.167 1.00 4.44 C ATOM 0 H ILE A 37 -6.271 7.781 -14.214 1.00 23.42 H new ATOM 0 HA ILE A 37 -7.053 6.666 -16.659 1.00 75.23 H new ATOM 0 HB ILE A 37 -8.223 7.098 -13.993 1.00 34.15 H new ATOM 0 HG12 ILE A 37 -7.755 4.778 -15.868 1.00 21.12 H new ATOM 0 HG13 ILE A 37 -6.994 5.101 -14.323 1.00 21.12 H new ATOM 0 HG21 ILE A 37 -10.432 6.286 -14.704 1.00 53.10 H new ATOM 0 HG22 ILE A 37 -10.055 7.886 -15.386 1.00 53.10 H new ATOM 0 HG23 ILE A 37 -9.933 6.433 -16.406 1.00 53.10 H new ATOM 0 HD11 ILE A 37 -8.711 3.333 -14.101 1.00 4.44 H new ATOM 0 HD12 ILE A 37 -9.176 4.773 -13.164 1.00 4.44 H new ATOM 0 HD13 ILE A 37 -9.949 4.444 -14.733 1.00 4.44 H new ATOM 563 N PRO A 38 -8.367 9.646 -16.031 1.00 25.35 N ATOM 564 CA PRO A 38 -9.025 10.779 -16.658 1.00 31.21 C ATOM 565 C PRO A 38 -8.059 11.538 -17.570 1.00 13.54 C ATOM 566 O PRO A 38 -8.468 12.441 -18.298 1.00 72.05 O ATOM 567 CB PRO A 38 -9.541 11.623 -15.504 1.00 24.23 C ATOM 568 CG PRO A 38 -8.755 11.180 -14.280 1.00 41.01 C ATOM 569 CD PRO A 38 -8.056 9.875 -14.622 1.00 62.54 C ATOM 0 HA PRO A 38 -9.844 10.481 -17.312 1.00 31.21 H new ATOM 0 HB2 PRO A 38 -9.393 12.685 -15.700 1.00 24.23 H new ATOM 0 HB3 PRO A 38 -10.610 11.472 -15.357 1.00 24.23 H new ATOM 0 HG2 PRO A 38 -8.027 11.941 -13.998 1.00 41.01 H new ATOM 0 HG3 PRO A 38 -9.421 11.044 -13.427 1.00 41.01 H new ATOM 0 HD2 PRO A 38 -6.980 9.948 -14.461 1.00 62.54 H new ATOM 0 HD3 PRO A 38 -8.417 9.057 -13.999 1.00 62.54 H new ATOM 577 N ARG A 39 -6.796 11.145 -17.499 1.00 11.00 N ATOM 578 CA ARG A 39 -5.769 11.777 -18.309 1.00 41.40 C ATOM 579 C ARG A 39 -5.500 10.949 -19.567 1.00 51.21 C ATOM 580 O ARG A 39 -4.933 11.452 -20.536 1.00 30.30 O ATOM 581 CB ARG A 39 -4.466 11.934 -17.522 1.00 51.52 C ATOM 582 CG ARG A 39 -4.702 12.701 -16.219 1.00 44.44 C ATOM 583 CD ARG A 39 -3.393 12.886 -15.448 1.00 33.13 C ATOM 584 NE ARG A 39 -2.429 13.657 -16.264 1.00 22.43 N ATOM 585 CZ ARG A 39 -1.571 13.102 -17.147 1.00 12.15 C ATOM 586 NH1 ARG A 39 -1.551 11.765 -17.335 1.00 51.41 N ATOM 587 NH2 ARG A 39 -0.752 13.886 -17.823 1.00 14.35 N ATOM 0 H ARG A 39 -6.460 10.396 -16.893 1.00 11.00 H new ATOM 0 HA ARG A 39 -6.131 12.765 -18.591 1.00 41.40 H new ATOM 0 HB2 ARG A 39 -4.051 10.951 -17.300 1.00 51.52 H new ATOM 0 HB3 ARG A 39 -3.731 12.461 -18.130 1.00 51.52 H new ATOM 0 HG2 ARG A 39 -5.139 13.675 -16.440 1.00 44.44 H new ATOM 0 HG3 ARG A 39 -5.420 12.162 -15.600 1.00 44.44 H new ATOM 0 HD2 ARG A 39 -3.585 13.406 -14.509 1.00 33.13 H new ATOM 0 HD3 ARG A 39 -2.971 11.914 -15.194 1.00 33.13 H new ATOM 0 HE ARG A 39 -2.411 14.671 -16.153 1.00 22.43 H new ATOM 0 HH11 ARG A 39 -2.187 11.166 -16.808 1.00 51.41 H new ATOM 0 HH12 ARG A 39 -0.900 11.354 -18.004 1.00 51.41 H new ATOM 0 HH21 ARG A 39 -0.773 14.895 -17.675 1.00 14.35 H new ATOM 0 HH22 ARG A 39 -0.098 13.483 -18.494 1.00 14.35 H new ATOM 600 N LEU A 40 -5.920 9.694 -19.511 1.00 71.23 N ATOM 601 CA LEU A 40 -5.732 8.791 -20.634 1.00 42.12 C ATOM 602 C LEU A 40 -6.890 8.961 -21.619 1.00 71.03 C ATOM 603 O LEU A 40 -6.749 8.669 -22.806 1.00 25.12 O ATOM 604 CB LEU A 40 -5.549 7.354 -20.142 1.00 11.13 C ATOM 605 CG LEU A 40 -4.305 7.090 -19.291 1.00 32.31 C ATOM 606 CD1 LEU A 40 -4.487 5.840 -18.428 1.00 21.24 C ATOM 607 CD2 LEU A 40 -3.051 7.006 -20.164 1.00 15.01 C ATOM 0 H LEU A 40 -6.390 9.281 -18.705 1.00 71.23 H new ATOM 0 HA LEU A 40 -4.817 9.038 -21.172 1.00 42.12 H new ATOM 0 HB2 LEU A 40 -6.428 7.075 -19.561 1.00 11.13 H new ATOM 0 HB3 LEU A 40 -5.518 6.695 -21.010 1.00 11.13 H new ATOM 0 HG LEU A 40 -4.169 7.933 -18.613 1.00 32.31 H new ATOM 0 HD11 LEU A 40 -3.589 5.675 -17.833 1.00 21.24 H new ATOM 0 HD12 LEU A 40 -5.341 5.977 -17.765 1.00 21.24 H new ATOM 0 HD13 LEU A 40 -4.661 4.977 -19.070 1.00 21.24 H new ATOM 0 HD21 LEU A 40 -2.181 6.818 -19.534 1.00 15.01 H new ATOM 0 HD22 LEU A 40 -3.162 6.194 -20.882 1.00 15.01 H new ATOM 0 HD23 LEU A 40 -2.916 7.947 -20.698 1.00 15.01 H new ATOM 619 N ILE A 41 -8.010 9.433 -21.091 1.00 62.40 N ATOM 620 CA ILE A 41 -9.192 9.645 -21.909 1.00 21.20 C ATOM 621 C ILE A 41 -8.841 10.573 -23.074 1.00 21.14 C ATOM 622 O ILE A 41 -8.158 11.578 -22.886 1.00 43.55 O ATOM 623 CB ILE A 41 -10.354 10.148 -21.051 1.00 32.35 C ATOM 624 CG1 ILE A 41 -10.590 9.226 -19.852 1.00 62.13 C ATOM 625 CG2 ILE A 41 -11.619 10.329 -21.892 1.00 72.51 C ATOM 626 CD1 ILE A 41 -12.020 9.365 -19.326 1.00 42.03 C ATOM 0 H ILE A 41 -8.124 9.675 -20.107 1.00 62.40 H new ATOM 0 HA ILE A 41 -9.530 8.703 -22.342 1.00 21.20 H new ATOM 0 HB ILE A 41 -10.087 11.128 -20.656 1.00 32.35 H new ATOM 0 HG12 ILE A 41 -10.404 8.192 -20.142 1.00 62.13 H new ATOM 0 HG13 ILE A 41 -9.882 9.467 -19.059 1.00 62.13 H new ATOM 0 HG21 ILE A 41 -12.430 10.687 -21.257 1.00 72.51 H new ATOM 0 HG22 ILE A 41 -11.429 11.055 -22.683 1.00 72.51 H new ATOM 0 HG23 ILE A 41 -11.901 9.374 -22.336 1.00 72.51 H new ATOM 0 HD11 ILE A 41 -12.161 8.699 -18.475 1.00 42.03 H new ATOM 0 HD12 ILE A 41 -12.195 10.395 -19.014 1.00 42.03 H new ATOM 0 HD13 ILE A 41 -12.725 9.100 -20.114 1.00 42.03 H new ATOM 638 N SER A 42 -9.324 10.202 -24.250 1.00 54.42 N ATOM 639 CA SER A 42 -9.070 10.989 -25.445 1.00 53.11 C ATOM 640 C SER A 42 -7.718 10.603 -26.048 1.00 0.42 C ATOM 641 O SER A 42 -7.398 10.999 -27.168 1.00 31.41 O ATOM 642 CB SER A 42 -9.106 12.487 -25.136 1.00 42.10 C ATOM 643 OG SER A 42 -9.533 13.254 -26.259 1.00 31.14 O ATOM 0 H SER A 42 -9.890 9.367 -24.401 1.00 54.42 H new ATOM 0 HA SER A 42 -9.857 10.776 -26.169 1.00 53.11 H new ATOM 0 HB2 SER A 42 -9.778 12.668 -24.297 1.00 42.10 H new ATOM 0 HB3 SER A 42 -8.114 12.817 -24.827 1.00 42.10 H new ATOM 0 HG SER A 42 -9.544 14.205 -26.021 1.00 31.14 H new ATOM 649 N MET A 43 -6.960 9.836 -25.278 1.00 53.10 N ATOM 650 CA MET A 43 -5.650 9.393 -25.722 1.00 22.50 C ATOM 651 C MET A 43 -5.706 7.958 -26.250 1.00 34.41 C ATOM 652 O MET A 43 -6.217 7.064 -25.576 1.00 50.11 O ATOM 653 CB MET A 43 -4.663 9.469 -24.556 1.00 24.04 C ATOM 654 CG MET A 43 -4.882 10.741 -23.734 1.00 32.10 C ATOM 655 SD MET A 43 -3.333 11.296 -23.042 1.00 72.21 S ATOM 656 CE MET A 43 -2.556 9.722 -22.721 1.00 22.55 C ATOM 0 H MET A 43 -7.228 9.510 -24.349 1.00 53.10 H new ATOM 0 HA MET A 43 -5.322 10.046 -26.531 1.00 22.50 H new ATOM 0 HB2 MET A 43 -4.781 8.594 -23.917 1.00 24.04 H new ATOM 0 HB3 MET A 43 -3.642 9.449 -24.937 1.00 24.04 H new ATOM 0 HG2 MET A 43 -5.309 11.522 -24.364 1.00 32.10 H new ATOM 0 HG3 MET A 43 -5.598 10.549 -22.935 1.00 32.10 H new ATOM 0 HE1 MET A 43 -1.903 9.809 -21.853 1.00 22.55 H new ATOM 0 HE2 MET A 43 -3.322 8.971 -22.525 1.00 22.55 H new ATOM 0 HE3 MET A 43 -1.968 9.423 -23.589 1.00 22.55 H new ATOM 666 N GLN A 44 -5.175 7.781 -27.451 1.00 3.34 N ATOM 667 CA GLN A 44 -5.158 6.470 -28.077 1.00 12.23 C ATOM 668 C GLN A 44 -3.903 5.700 -27.663 1.00 22.14 C ATOM 669 O GLN A 44 -2.878 6.301 -27.343 1.00 54.33 O ATOM 670 CB GLN A 44 -5.252 6.588 -29.599 1.00 44.42 C ATOM 671 CG GLN A 44 -6.282 7.644 -30.005 1.00 43.50 C ATOM 672 CD GLN A 44 -6.177 7.967 -31.497 1.00 11.51 C ATOM 673 OE1 GLN A 44 -5.703 9.017 -31.899 1.00 53.34 O ATOM 674 NE2 GLN A 44 -6.645 7.009 -32.292 1.00 5.20 N ATOM 0 H GLN A 44 -4.753 8.524 -28.007 1.00 3.34 H new ATOM 0 HA GLN A 44 -6.031 5.914 -27.734 1.00 12.23 H new ATOM 0 HB2 GLN A 44 -4.276 6.851 -30.008 1.00 44.42 H new ATOM 0 HB3 GLN A 44 -5.527 5.624 -30.026 1.00 44.42 H new ATOM 0 HG2 GLN A 44 -7.286 7.285 -29.777 1.00 43.50 H new ATOM 0 HG3 GLN A 44 -6.128 8.551 -29.421 1.00 43.50 H new ATOM 0 HE21 GLN A 44 -7.029 6.154 -31.889 1.00 5.20 H new ATOM 0 HE22 GLN A 44 -6.620 7.129 -33.305 1.00 5.20 H new ATOM 683 N VAL A 45 -4.024 4.381 -27.681 1.00 64.33 N ATOM 684 CA VAL A 45 -2.911 3.522 -27.312 1.00 32.03 C ATOM 685 C VAL A 45 -2.021 3.293 -28.535 1.00 30.01 C ATOM 686 O VAL A 45 -2.484 3.389 -29.671 1.00 3.15 O ATOM 687 CB VAL A 45 -3.435 2.220 -26.702 1.00 12.35 C ATOM 688 CG1 VAL A 45 -3.963 2.453 -25.285 1.00 34.24 C ATOM 689 CG2 VAL A 45 -4.509 1.591 -27.591 1.00 54.31 C ATOM 0 H VAL A 45 -4.876 3.886 -27.945 1.00 64.33 H new ATOM 0 HA VAL A 45 -2.297 4.000 -26.548 1.00 32.03 H new ATOM 0 HB VAL A 45 -2.602 1.520 -26.639 1.00 12.35 H new ATOM 0 HG11 VAL A 45 -4.329 1.512 -24.874 1.00 34.24 H new ATOM 0 HG12 VAL A 45 -3.159 2.835 -24.656 1.00 34.24 H new ATOM 0 HG13 VAL A 45 -4.777 3.178 -25.315 1.00 34.24 H new ATOM 0 HG21 VAL A 45 -4.864 0.667 -27.134 1.00 54.31 H new ATOM 0 HG22 VAL A 45 -5.342 2.285 -27.701 1.00 54.31 H new ATOM 0 HG23 VAL A 45 -4.087 1.372 -28.572 1.00 54.31 H new ATOM 699 N ASN A 46 -0.760 2.994 -28.261 1.00 44.43 N ATOM 700 CA ASN A 46 0.200 2.751 -29.325 1.00 74.03 C ATOM 701 C ASN A 46 0.490 1.251 -29.411 1.00 4.35 C ATOM 702 O ASN A 46 1.594 0.849 -29.776 1.00 1.14 O ATOM 703 CB ASN A 46 1.520 3.474 -29.052 1.00 61.24 C ATOM 704 CG ASN A 46 2.217 2.896 -27.819 1.00 31.10 C ATOM 705 OD1 ASN A 46 2.388 1.696 -27.676 1.00 11.44 O ATOM 706 ND2 ASN A 46 2.608 3.813 -26.939 1.00 42.32 N ATOM 0 H ASN A 46 -0.380 2.914 -27.318 1.00 44.43 H new ATOM 0 HA ASN A 46 -0.227 3.122 -30.256 1.00 74.03 H new ATOM 0 HB2 ASN A 46 2.174 3.384 -29.919 1.00 61.24 H new ATOM 0 HB3 ASN A 46 1.332 4.537 -28.903 1.00 61.24 H new ATOM 0 HD21 ASN A 46 3.083 3.528 -26.082 1.00 42.32 H new ATOM 0 HD22 ASN A 46 2.433 4.801 -27.121 1.00 42.32 H new ATOM 713 N GLN A 47 -0.519 0.465 -29.068 1.00 31.24 N ATOM 714 CA GLN A 47 -0.386 -0.982 -29.101 1.00 4.32 C ATOM 715 C GLN A 47 -1.709 -1.646 -28.716 1.00 52.13 C ATOM 716 O GLN A 47 -2.543 -1.036 -28.049 1.00 10.13 O ATOM 717 CB GLN A 47 0.748 -1.449 -28.186 1.00 3.10 C ATOM 718 CG GLN A 47 0.649 -2.951 -27.913 1.00 31.03 C ATOM 719 CD GLN A 47 1.868 -3.448 -27.134 1.00 22.43 C ATOM 720 OE1 GLN A 47 2.481 -4.451 -27.463 1.00 13.12 O ATOM 721 NE2 GLN A 47 2.185 -2.694 -26.085 1.00 40.23 N ATOM 0 H GLN A 47 -1.433 0.802 -28.766 1.00 31.24 H new ATOM 0 HA GLN A 47 -0.135 -1.281 -30.119 1.00 4.32 H new ATOM 0 HB2 GLN A 47 1.709 -1.222 -28.647 1.00 3.10 H new ATOM 0 HB3 GLN A 47 0.709 -0.901 -27.244 1.00 3.10 H new ATOM 0 HG2 GLN A 47 -0.259 -3.163 -27.348 1.00 31.03 H new ATOM 0 HG3 GLN A 47 0.571 -3.491 -28.856 1.00 31.03 H new ATOM 0 HE21 GLN A 47 1.630 -1.867 -25.865 1.00 40.23 H new ATOM 0 HE22 GLN A 47 2.983 -2.943 -25.501 1.00 40.23 H new ATOM 730 N VAL A 48 -1.861 -2.887 -29.154 1.00 61.21 N ATOM 731 CA VAL A 48 -3.069 -3.641 -28.864 1.00 41.31 C ATOM 732 C VAL A 48 -2.940 -4.291 -27.485 1.00 74.12 C ATOM 733 O VAL A 48 -2.263 -5.307 -27.335 1.00 10.34 O ATOM 734 CB VAL A 48 -3.335 -4.653 -29.980 1.00 42.01 C ATOM 735 CG1 VAL A 48 -4.166 -5.830 -29.466 1.00 71.00 C ATOM 736 CG2 VAL A 48 -4.013 -3.984 -31.177 1.00 53.31 C ATOM 0 H VAL A 48 -1.167 -3.390 -29.708 1.00 61.21 H new ATOM 0 HA VAL A 48 -3.934 -2.979 -28.832 1.00 41.31 H new ATOM 0 HB VAL A 48 -2.374 -5.043 -30.315 1.00 42.01 H new ATOM 0 HG11 VAL A 48 -4.341 -6.535 -30.279 1.00 71.00 H new ATOM 0 HG12 VAL A 48 -3.628 -6.331 -28.661 1.00 71.00 H new ATOM 0 HG13 VAL A 48 -5.122 -5.464 -29.091 1.00 71.00 H new ATOM 0 HG21 VAL A 48 -4.191 -4.726 -31.956 1.00 53.31 H new ATOM 0 HG22 VAL A 48 -4.964 -3.553 -30.863 1.00 53.31 H new ATOM 0 HG23 VAL A 48 -3.369 -3.196 -31.567 1.00 53.31 H new ATOM 746 N VAL A 49 -3.602 -3.679 -26.514 1.00 25.23 N ATOM 747 CA VAL A 49 -3.570 -4.186 -25.152 1.00 42.02 C ATOM 748 C VAL A 49 -4.839 -4.998 -24.885 1.00 42.12 C ATOM 749 O VAL A 49 -5.948 -4.481 -25.009 1.00 31.41 O ATOM 750 CB VAL A 49 -3.381 -3.030 -24.168 1.00 15.02 C ATOM 751 CG1 VAL A 49 -2.722 -1.830 -24.851 1.00 33.12 C ATOM 752 CG2 VAL A 49 -4.713 -2.633 -23.527 1.00 60.10 C ATOM 0 H VAL A 49 -4.163 -2.837 -26.643 1.00 25.23 H new ATOM 0 HA VAL A 49 -2.721 -4.855 -25.013 1.00 42.02 H new ATOM 0 HB VAL A 49 -2.715 -3.371 -23.375 1.00 15.02 H new ATOM 0 HG11 VAL A 49 -2.599 -1.023 -24.129 1.00 33.12 H new ATOM 0 HG12 VAL A 49 -1.746 -2.122 -25.238 1.00 33.12 H new ATOM 0 HG13 VAL A 49 -3.351 -1.489 -25.673 1.00 33.12 H new ATOM 0 HG21 VAL A 49 -4.551 -1.809 -22.832 1.00 60.10 H new ATOM 0 HG22 VAL A 49 -5.412 -2.321 -24.303 1.00 60.10 H new ATOM 0 HG23 VAL A 49 -5.126 -3.486 -22.989 1.00 60.10 H new ATOM 762 N PRO A 50 -4.627 -6.289 -24.514 1.00 74.22 N ATOM 763 CA PRO A 50 -5.741 -7.178 -24.229 1.00 11.44 C ATOM 764 C PRO A 50 -6.367 -6.854 -22.870 1.00 42.55 C ATOM 765 O PRO A 50 -5.655 -6.607 -21.898 1.00 51.11 O ATOM 766 CB PRO A 50 -5.154 -8.578 -24.293 1.00 23.00 C ATOM 767 CG PRO A 50 -3.650 -8.406 -24.152 1.00 20.25 C ATOM 768 CD PRO A 50 -3.328 -6.935 -24.357 1.00 64.24 C ATOM 0 HA PRO A 50 -6.558 -7.070 -24.942 1.00 11.44 H new ATOM 0 HB2 PRO A 50 -5.552 -9.205 -23.495 1.00 23.00 H new ATOM 0 HB3 PRO A 50 -5.405 -9.064 -25.236 1.00 23.00 H new ATOM 0 HG2 PRO A 50 -3.319 -8.736 -23.167 1.00 20.25 H new ATOM 0 HG3 PRO A 50 -3.125 -9.018 -24.886 1.00 20.25 H new ATOM 0 HD2 PRO A 50 -2.783 -6.527 -23.506 1.00 64.24 H new ATOM 0 HD3 PRO A 50 -2.703 -6.786 -25.237 1.00 64.24 H new ATOM 776 N MET A 51 -7.691 -6.865 -22.847 1.00 55.34 N ATOM 777 CA MET A 51 -8.421 -6.575 -21.625 1.00 31.24 C ATOM 778 C MET A 51 -7.734 -7.208 -20.413 1.00 60.40 C ATOM 779 O MET A 51 -7.530 -8.421 -20.374 1.00 13.22 O ATOM 780 CB MET A 51 -9.848 -7.114 -21.742 1.00 32.12 C ATOM 781 CG MET A 51 -10.623 -6.903 -20.439 1.00 64.21 C ATOM 782 SD MET A 51 -12.297 -7.493 -20.622 1.00 73.11 S ATOM 783 CE MET A 51 -11.980 -9.191 -21.073 1.00 14.13 C ATOM 0 H MET A 51 -8.278 -7.070 -23.656 1.00 55.34 H new ATOM 0 HA MET A 51 -8.442 -5.494 -21.484 1.00 31.24 H new ATOM 0 HB2 MET A 51 -10.364 -6.613 -22.561 1.00 32.12 H new ATOM 0 HB3 MET A 51 -9.820 -8.176 -21.985 1.00 32.12 H new ATOM 0 HG2 MET A 51 -10.130 -7.431 -19.623 1.00 64.21 H new ATOM 0 HG3 MET A 51 -10.628 -5.845 -20.177 1.00 64.21 H new ATOM 0 HE1 MET A 51 -12.852 -9.800 -20.834 1.00 14.13 H new ATOM 0 HE2 MET A 51 -11.778 -9.252 -22.142 1.00 14.13 H new ATOM 0 HE3 MET A 51 -11.117 -9.560 -20.519 1.00 14.13 H new ATOM 793 N GLY A 52 -7.396 -6.359 -19.454 1.00 63.20 N ATOM 794 CA GLY A 52 -6.736 -6.820 -18.244 1.00 63.45 C ATOM 795 C GLY A 52 -5.250 -6.455 -18.257 1.00 50.00 C ATOM 796 O GLY A 52 -4.574 -6.553 -17.234 1.00 13.12 O ATOM 0 H GLY A 52 -7.567 -5.354 -19.490 1.00 63.20 H new ATOM 0 HA2 GLY A 52 -7.216 -6.376 -17.372 1.00 63.45 H new ATOM 0 HA3 GLY A 52 -6.848 -7.900 -18.153 1.00 63.45 H new ATOM 800 N THR A 53 -4.785 -6.041 -19.427 1.00 30.43 N ATOM 801 CA THR A 53 -3.392 -5.661 -19.586 1.00 3.21 C ATOM 802 C THR A 53 -3.144 -4.279 -18.978 1.00 25.13 C ATOM 803 O THR A 53 -3.673 -3.280 -19.462 1.00 4.34 O ATOM 804 CB THR A 53 -3.047 -5.740 -21.074 1.00 71.34 C ATOM 805 OG1 THR A 53 -2.973 -7.138 -21.339 1.00 64.53 O ATOM 806 CG2 THR A 53 -1.638 -5.228 -21.377 1.00 64.14 C ATOM 0 H THR A 53 -5.348 -5.961 -20.273 1.00 30.43 H new ATOM 0 HA THR A 53 -2.733 -6.342 -19.048 1.00 3.21 H new ATOM 0 HB THR A 53 -3.773 -5.162 -21.646 1.00 71.34 H new ATOM 0 HG1 THR A 53 -3.870 -7.483 -21.529 1.00 64.53 H new ATOM 0 HG21 THR A 53 -1.445 -5.306 -22.447 1.00 64.14 H new ATOM 0 HG22 THR A 53 -1.555 -4.186 -21.069 1.00 64.14 H new ATOM 0 HG23 THR A 53 -0.908 -5.826 -20.832 1.00 64.14 H new ATOM 814 N THR A 54 -2.338 -4.267 -17.926 1.00 34.04 N ATOM 815 CA THR A 54 -2.013 -3.024 -17.246 1.00 75.41 C ATOM 816 C THR A 54 -1.570 -1.964 -18.256 1.00 74.32 C ATOM 817 O THR A 54 -0.679 -2.209 -19.067 1.00 43.15 O ATOM 818 CB THR A 54 -0.957 -3.329 -16.182 1.00 62.55 C ATOM 819 OG1 THR A 54 -1.398 -4.551 -15.596 1.00 4.25 O ATOM 820 CG2 THR A 54 -0.985 -2.329 -15.025 1.00 43.34 C ATOM 0 H THR A 54 -1.900 -5.098 -17.528 1.00 34.04 H new ATOM 0 HA THR A 54 -2.887 -2.606 -16.746 1.00 75.41 H new ATOM 0 HB THR A 54 0.032 -3.325 -16.641 1.00 62.55 H new ATOM 0 HG1 THR A 54 -0.623 -5.062 -15.283 1.00 4.25 H new ATOM 0 HG21 THR A 54 -0.216 -2.592 -14.298 1.00 43.34 H new ATOM 0 HG22 THR A 54 -0.796 -1.326 -15.407 1.00 43.34 H new ATOM 0 HG23 THR A 54 -1.963 -2.356 -14.544 1.00 43.34 H new ATOM 828 N LEU A 55 -2.214 -0.809 -18.174 1.00 3.01 N ATOM 829 CA LEU A 55 -1.897 0.289 -19.071 1.00 11.52 C ATOM 830 C LEU A 55 -0.544 0.887 -18.680 1.00 40.33 C ATOM 831 O LEU A 55 -0.308 1.187 -17.511 1.00 20.01 O ATOM 832 CB LEU A 55 -3.037 1.310 -19.092 1.00 32.32 C ATOM 833 CG LEU A 55 -3.121 2.196 -20.336 1.00 1.52 C ATOM 834 CD1 LEU A 55 -2.880 1.381 -21.608 1.00 30.04 C ATOM 835 CD2 LEU A 55 -4.451 2.952 -20.382 1.00 62.43 C ATOM 0 H LEU A 55 -2.954 -0.610 -17.500 1.00 3.01 H new ATOM 0 HA LEU A 55 -1.803 -0.071 -20.095 1.00 11.52 H new ATOM 0 HB2 LEU A 55 -3.980 0.774 -18.988 1.00 32.32 H new ATOM 0 HB3 LEU A 55 -2.938 1.954 -18.218 1.00 32.32 H new ATOM 0 HG LEU A 55 -2.328 2.942 -20.278 1.00 1.52 H new ATOM 0 HD11 LEU A 55 -2.945 2.035 -22.477 1.00 30.04 H new ATOM 0 HD12 LEU A 55 -1.889 0.929 -21.568 1.00 30.04 H new ATOM 0 HD13 LEU A 55 -3.634 0.597 -21.686 1.00 30.04 H new ATOM 0 HD21 LEU A 55 -4.485 3.574 -21.276 1.00 62.43 H new ATOM 0 HD22 LEU A 55 -5.275 2.238 -20.405 1.00 62.43 H new ATOM 0 HD23 LEU A 55 -4.542 3.582 -19.497 1.00 62.43 H new ATOM 847 N MET A 56 0.309 1.043 -19.682 1.00 24.02 N ATOM 848 CA MET A 56 1.633 1.600 -19.458 1.00 33.43 C ATOM 849 C MET A 56 1.730 3.023 -20.011 1.00 71.21 C ATOM 850 O MET A 56 0.920 3.425 -20.844 1.00 54.34 O ATOM 851 CB MET A 56 2.680 0.715 -20.136 1.00 44.15 C ATOM 852 CG MET A 56 3.047 -0.478 -19.251 1.00 42.05 C ATOM 853 SD MET A 56 4.350 -0.021 -18.120 1.00 13.02 S ATOM 854 CE MET A 56 3.622 -0.553 -16.579 1.00 2.21 C ATOM 0 H MET A 56 0.109 0.794 -20.651 1.00 24.02 H new ATOM 0 HA MET A 56 1.815 1.635 -18.384 1.00 33.43 H new ATOM 0 HB2 MET A 56 2.296 0.359 -21.092 1.00 44.15 H new ATOM 0 HB3 MET A 56 3.573 1.302 -20.350 1.00 44.15 H new ATOM 0 HG2 MET A 56 2.171 -0.811 -18.694 1.00 42.05 H new ATOM 0 HG3 MET A 56 3.369 -1.315 -19.870 1.00 42.05 H new ATOM 0 HE1 MET A 56 4.010 0.057 -15.763 1.00 2.21 H new ATOM 0 HE2 MET A 56 2.539 -0.443 -16.631 1.00 2.21 H new ATOM 0 HE3 MET A 56 3.872 -1.599 -16.400 1.00 2.21 H new ATOM 864 N PRO A 57 2.755 3.765 -19.513 1.00 31.44 N ATOM 865 CA PRO A 57 2.969 5.134 -19.948 1.00 55.21 C ATOM 866 C PRO A 57 3.576 5.175 -21.352 1.00 21.22 C ATOM 867 O PRO A 57 3.425 6.162 -22.069 1.00 55.24 O ATOM 868 CB PRO A 57 3.873 5.747 -18.891 1.00 62.43 C ATOM 869 CG PRO A 57 4.507 4.577 -18.157 1.00 24.42 C ATOM 870 CD PRO A 57 3.734 3.321 -18.525 1.00 20.14 C ATOM 0 HA PRO A 57 2.040 5.698 -20.033 1.00 55.21 H new ATOM 0 HB2 PRO A 57 4.634 6.381 -19.347 1.00 62.43 H new ATOM 0 HB3 PRO A 57 3.303 6.375 -18.206 1.00 62.43 H new ATOM 0 HG2 PRO A 57 5.556 4.475 -18.436 1.00 24.42 H new ATOM 0 HG3 PRO A 57 4.478 4.741 -17.080 1.00 24.42 H new ATOM 0 HD2 PRO A 57 4.393 2.557 -18.936 1.00 20.14 H new ATOM 0 HD3 PRO A 57 3.247 2.886 -17.652 1.00 20.14 H new ATOM 878 N ASP A 58 4.251 4.090 -21.701 1.00 60.43 N ATOM 879 CA ASP A 58 4.882 3.989 -23.006 1.00 60.43 C ATOM 880 C ASP A 58 3.965 3.211 -23.953 1.00 12.53 C ATOM 881 O ASP A 58 4.371 2.843 -25.054 1.00 3.43 O ATOM 882 CB ASP A 58 6.213 3.240 -22.918 1.00 4.21 C ATOM 883 CG ASP A 58 7.452 4.085 -23.223 1.00 52.33 C ATOM 884 OD1 ASP A 58 8.227 3.774 -24.140 1.00 10.32 O ATOM 885 OD2 ASP A 58 7.609 5.116 -22.464 1.00 51.53 O ATOM 0 H ASP A 58 4.375 3.273 -21.103 1.00 60.43 H new ATOM 0 HA ASP A 58 5.060 5.000 -23.373 1.00 60.43 H new ATOM 0 HB2 ASP A 58 6.313 2.824 -21.915 1.00 4.21 H new ATOM 0 HB3 ASP A 58 6.186 2.399 -23.611 1.00 4.21 H new ATOM 891 N MET A 59 2.745 2.985 -23.489 1.00 75.22 N ATOM 892 CA MET A 59 1.766 2.258 -24.281 1.00 3.14 C ATOM 893 C MET A 59 0.619 3.175 -24.711 1.00 22.40 C ATOM 894 O MET A 59 -0.394 2.706 -25.228 1.00 42.11 O ATOM 895 CB MET A 59 1.209 1.093 -23.460 1.00 11.52 C ATOM 896 CG MET A 59 2.064 -0.163 -23.640 1.00 12.32 C ATOM 897 SD MET A 59 1.061 -1.622 -23.413 1.00 14.53 S ATOM 898 CE MET A 59 0.107 -1.123 -21.988 1.00 64.50 C ATOM 0 H MET A 59 2.412 3.292 -22.575 1.00 75.22 H new ATOM 0 HA MET A 59 2.259 1.880 -25.177 1.00 3.14 H new ATOM 0 HB2 MET A 59 1.178 1.368 -22.406 1.00 11.52 H new ATOM 0 HB3 MET A 59 0.183 0.886 -23.765 1.00 11.52 H new ATOM 0 HG2 MET A 59 2.510 -0.170 -24.634 1.00 12.32 H new ATOM 0 HG3 MET A 59 2.884 -0.160 -22.922 1.00 12.32 H new ATOM 0 HE1 MET A 59 -0.672 -1.861 -21.795 1.00 64.50 H new ATOM 0 HE2 MET A 59 0.761 -1.051 -21.119 1.00 64.50 H new ATOM 0 HE3 MET A 59 -0.351 -0.153 -22.179 1.00 64.50 H new ATOM 908 N VAL A 60 0.817 4.464 -24.482 1.00 12.53 N ATOM 909 CA VAL A 60 -0.188 5.451 -24.839 1.00 75.22 C ATOM 910 C VAL A 60 0.480 6.606 -25.586 1.00 43.44 C ATOM 911 O VAL A 60 1.562 7.052 -25.207 1.00 11.51 O ATOM 912 CB VAL A 60 -0.944 5.905 -23.589 1.00 0.13 C ATOM 913 CG1 VAL A 60 -2.109 6.826 -23.956 1.00 41.23 C ATOM 914 CG2 VAL A 60 -1.430 4.704 -22.775 1.00 71.23 C ATOM 0 H VAL A 60 1.659 4.849 -24.053 1.00 12.53 H new ATOM 0 HA VAL A 60 -0.929 5.016 -25.510 1.00 75.22 H new ATOM 0 HB VAL A 60 -0.252 6.473 -22.968 1.00 0.13 H new ATOM 0 HG11 VAL A 60 -2.629 7.134 -23.049 1.00 41.23 H new ATOM 0 HG12 VAL A 60 -1.728 7.707 -24.472 1.00 41.23 H new ATOM 0 HG13 VAL A 60 -2.801 6.294 -24.609 1.00 41.23 H new ATOM 0 HG21 VAL A 60 -1.964 5.055 -21.892 1.00 71.23 H new ATOM 0 HG22 VAL A 60 -2.098 4.097 -23.386 1.00 71.23 H new ATOM 0 HG23 VAL A 60 -0.574 4.103 -22.466 1.00 71.23 H new ATOM 924 N LYS A 61 -0.191 7.058 -26.635 1.00 54.23 N ATOM 925 CA LYS A 61 0.324 8.153 -27.439 1.00 43.32 C ATOM 926 C LYS A 61 -0.106 9.483 -26.817 1.00 43.31 C ATOM 927 O LYS A 61 -1.155 9.565 -26.181 1.00 31.55 O ATOM 928 CB LYS A 61 -0.100 7.992 -28.900 1.00 75.21 C ATOM 929 CG LYS A 61 0.411 6.670 -29.477 1.00 12.11 C ATOM 930 CD LYS A 61 0.313 6.664 -31.004 1.00 3.12 C ATOM 931 CE LYS A 61 0.117 5.243 -31.535 1.00 32.20 C ATOM 932 NZ LYS A 61 0.151 5.233 -33.015 1.00 11.14 N ATOM 0 H LYS A 61 -1.088 6.685 -26.947 1.00 54.23 H new ATOM 0 HA LYS A 61 1.414 8.141 -27.445 1.00 43.32 H new ATOM 0 HB2 LYS A 61 -1.187 8.029 -28.973 1.00 75.21 H new ATOM 0 HB3 LYS A 61 0.287 8.824 -29.489 1.00 75.21 H new ATOM 0 HG2 LYS A 61 1.446 6.513 -29.175 1.00 12.11 H new ATOM 0 HG3 LYS A 61 -0.169 5.842 -29.069 1.00 12.11 H new ATOM 0 HD2 LYS A 61 -0.519 7.293 -31.321 1.00 3.12 H new ATOM 0 HD3 LYS A 61 1.219 7.094 -31.432 1.00 3.12 H new ATOM 0 HE2 LYS A 61 0.898 4.591 -31.143 1.00 32.20 H new ATOM 0 HE3 LYS A 61 -0.836 4.846 -31.185 1.00 32.20 H new ATOM 0 HZ1 LYS A 61 0.289 4.259 -33.352 1.00 11.14 H new ATOM 0 HZ2 LYS A 61 -0.747 5.604 -33.385 1.00 11.14 H new ATOM 0 HZ3 LYS A 61 0.935 5.829 -33.348 1.00 11.14 H new ATOM 945 N GLY A 62 0.727 10.493 -27.023 1.00 61.00 N ATOM 946 CA GLY A 62 0.446 11.815 -26.490 1.00 42.43 C ATOM 947 C GLY A 62 0.226 11.762 -24.977 1.00 73.52 C ATOM 948 O GLY A 62 -0.334 12.689 -24.395 1.00 1.05 O ATOM 0 H GLY A 62 1.596 10.422 -27.552 1.00 61.00 H new ATOM 0 HA2 GLY A 62 1.274 12.486 -26.717 1.00 42.43 H new ATOM 0 HA3 GLY A 62 -0.439 12.226 -26.975 1.00 42.43 H new ATOM 952 N TYR A 63 0.677 10.666 -24.384 1.00 41.12 N ATOM 953 CA TYR A 63 0.536 10.479 -22.950 1.00 41.12 C ATOM 954 C TYR A 63 1.660 11.188 -22.192 1.00 10.03 C ATOM 955 O TYR A 63 2.595 11.705 -22.801 1.00 52.41 O ATOM 956 CB TYR A 63 0.645 8.972 -22.709 1.00 4.34 C ATOM 957 CG TYR A 63 0.928 8.594 -21.253 1.00 52.33 C ATOM 958 CD1 TYR A 63 2.227 8.562 -20.788 1.00 70.14 C ATOM 959 CD2 TYR A 63 -0.116 8.286 -20.405 1.00 74.23 C ATOM 960 CE1 TYR A 63 2.493 8.206 -19.419 1.00 11.14 C ATOM 961 CE2 TYR A 63 0.150 7.930 -19.036 1.00 15.05 C ATOM 962 CZ TYR A 63 1.441 7.908 -18.610 1.00 30.22 C ATOM 963 OH TYR A 63 1.692 7.572 -17.316 1.00 61.21 O ATOM 0 H TYR A 63 1.140 9.899 -24.871 1.00 41.12 H new ATOM 0 HA TYR A 63 -0.411 10.891 -22.600 1.00 41.12 H new ATOM 0 HB2 TYR A 63 -0.284 8.496 -23.023 1.00 4.34 H new ATOM 0 HB3 TYR A 63 1.438 8.570 -23.339 1.00 4.34 H new ATOM 0 HD1 TYR A 63 3.044 8.804 -21.451 1.00 70.14 H new ATOM 0 HD2 TYR A 63 -1.133 8.312 -20.768 1.00 74.23 H new ATOM 0 HE1 TYR A 63 3.505 8.176 -19.043 1.00 11.14 H new ATOM 0 HE2 TYR A 63 -0.658 7.686 -18.362 1.00 15.05 H new ATOM 0 HH TYR A 63 1.050 8.024 -16.730 1.00 61.21 H new ATOM 973 N ALA A 64 1.532 11.189 -20.873 1.00 53.00 N ATOM 974 CA ALA A 64 2.525 11.826 -20.025 1.00 31.11 C ATOM 975 C ALA A 64 2.021 11.841 -18.580 1.00 42.33 C ATOM 976 O ALA A 64 0.815 11.872 -18.340 1.00 4.22 O ATOM 977 CB ALA A 64 2.823 13.230 -20.554 1.00 12.45 C ATOM 0 H ALA A 64 0.755 10.759 -20.371 1.00 53.00 H new ATOM 0 HA ALA A 64 3.460 11.267 -20.042 1.00 31.11 H new ATOM 0 HB1 ALA A 64 3.568 13.708 -19.918 1.00 12.45 H new ATOM 0 HB2 ALA A 64 3.206 13.162 -21.572 1.00 12.45 H new ATOM 0 HB3 ALA A 64 1.908 13.822 -20.549 1.00 12.45 H new ATOM 983 N PRO A 65 2.995 11.818 -17.632 1.00 5.44 N ATOM 984 CA PRO A 65 2.663 11.829 -16.217 1.00 43.42 C ATOM 985 C PRO A 65 2.213 13.222 -15.771 1.00 31.35 C ATOM 986 O PRO A 65 2.453 14.208 -16.465 1.00 0.21 O ATOM 987 CB PRO A 65 3.925 11.359 -15.513 1.00 24.10 C ATOM 988 CG PRO A 65 5.055 11.547 -16.512 1.00 42.13 C ATOM 989 CD PRO A 65 4.434 11.781 -17.880 1.00 12.55 C ATOM 0 HA PRO A 65 1.823 11.177 -15.977 1.00 43.42 H new ATOM 0 HB2 PRO A 65 4.105 11.937 -14.607 1.00 24.10 H new ATOM 0 HB3 PRO A 65 3.839 10.315 -15.213 1.00 24.10 H new ATOM 0 HG2 PRO A 65 5.680 12.393 -16.227 1.00 42.13 H new ATOM 0 HG3 PRO A 65 5.699 10.667 -16.530 1.00 42.13 H new ATOM 0 HD2 PRO A 65 4.784 12.715 -18.319 1.00 12.55 H new ATOM 0 HD3 PRO A 65 4.696 10.984 -18.575 1.00 12.55 H new