USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 802 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 71 SER OG : rot 140:sc= 0.433 USER MOD Set 1.2: A 74 SER OG : rot -88:sc= 0.459 USER MOD Set 2.1: A 63 GLN : amide:sc= -0.27 K(o=-0.28,f=-0.86) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 153:sc=-0.00982 (180deg=0) USER MOD Set 3.1: A 43 THR OG1 : rot -51:sc= 0.0404 USER MOD Set 3.2: A 47 THR OG1 : rot -161:sc= 0.0549 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 44:sc= 0.237 USER MOD Single : A 12 TYR OH : rot 110:sc= -0.818 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.83) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.11) USER MOD Single : A 27 THR OG1 : rot -140:sc= -0.0294 USER MOD Single : A 28 GLN : amide:sc= -2.21 K(o=-2.2,f=-5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.499) USER MOD Single : A 41 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.12) USER MOD Single : A 49 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.065) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= 0.294 (180deg=-1.52!) USER MOD Single : A 53 GLN : amide:sc= -4.87! C(o=-4.9!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -137:sc= -4.31 (180deg=-12.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0367 K(o=-0.037,f=-0.88) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.46) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.8!) USER MOD Single : A 99 LYS NZ :NH3+ 168:sc=-0.000748 (180deg=-0.0775) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.691 -7.276 -13.611 1.00 64.42 N ATOM 2 CA GLY A 1 -4.383 -6.083 -13.162 1.00 3.24 C ATOM 3 C GLY A 1 -3.434 -5.030 -12.624 1.00 23.21 C ATOM 4 O GLY A 1 -2.627 -4.473 -13.368 1.00 74.44 O ATOM 0 H1 GLY A 1 -4.383 -7.965 -13.969 1.00 64.42 H new ATOM 0 H2 GLY A 1 -3.026 -7.026 -14.371 1.00 64.42 H new ATOM 0 H3 GLY A 1 -3.167 -7.694 -12.816 1.00 64.42 H new ATOM 0 HA2 GLY A 1 -4.954 -5.664 -13.991 1.00 3.24 H new ATOM 0 HA3 GLY A 1 -5.099 -6.353 -12.386 1.00 3.24 H new ATOM 8 N ALA A 2 -3.530 -4.755 -11.327 1.00 75.42 N ATOM 9 CA ALA A 2 -2.674 -3.763 -10.691 1.00 4.24 C ATOM 10 C ALA A 2 -1.554 -4.431 -9.900 1.00 1.54 C ATOM 11 O ALA A 2 -1.314 -4.093 -8.741 1.00 13.11 O ATOM 12 CB ALA A 2 -3.496 -2.859 -9.784 1.00 53.14 C ATOM 0 H ALA A 2 -4.193 -5.206 -10.697 1.00 75.42 H new ATOM 0 HA ALA A 2 -2.219 -3.156 -11.474 1.00 4.24 H new ATOM 0 HB1 ALA A 2 -2.843 -2.123 -9.316 1.00 53.14 H new ATOM 0 HB2 ALA A 2 -4.256 -2.347 -10.373 1.00 53.14 H new ATOM 0 HB3 ALA A 2 -3.978 -3.459 -9.012 1.00 53.14 H new ATOM 18 N GLU A 3 -0.872 -5.380 -10.533 1.00 54.35 N ATOM 19 CA GLU A 3 0.221 -6.095 -9.887 1.00 22.43 C ATOM 20 C GLU A 3 1.494 -6.016 -10.725 1.00 21.15 C ATOM 21 O GLU A 3 1.479 -6.290 -11.924 1.00 11.41 O ATOM 22 CB GLU A 3 -0.162 -7.559 -9.659 1.00 30.14 C ATOM 23 CG GLU A 3 -1.447 -7.736 -8.868 1.00 15.41 C ATOM 24 CD GLU A 3 -1.256 -7.498 -7.383 1.00 0.05 C ATOM 25 OE1 GLU A 3 -0.635 -8.355 -6.719 1.00 51.53 O ATOM 26 OE2 GLU A 3 -1.727 -6.454 -6.884 1.00 34.53 O ATOM 0 H GLU A 3 -1.058 -5.671 -11.493 1.00 54.35 H new ATOM 0 HA GLU A 3 0.411 -5.622 -8.924 1.00 22.43 H new ATOM 0 HB2 GLU A 3 -0.269 -8.052 -10.625 1.00 30.14 H new ATOM 0 HB3 GLU A 3 0.650 -8.061 -9.133 1.00 30.14 H new ATOM 0 HG2 GLU A 3 -2.201 -7.047 -9.248 1.00 15.41 H new ATOM 0 HG3 GLU A 3 -1.829 -8.745 -9.024 1.00 15.41 H new ATOM 33 N GLY A 4 2.596 -5.639 -10.083 1.00 12.34 N ATOM 34 CA GLY A 4 3.862 -5.529 -10.783 1.00 71.12 C ATOM 35 C GLY A 4 4.828 -6.637 -10.412 1.00 53.12 C ATOM 36 O GLY A 4 4.413 -7.753 -10.104 1.00 61.43 O ATOM 0 H GLY A 4 2.634 -5.408 -9.090 1.00 12.34 H new ATOM 0 HA2 GLY A 4 3.683 -5.552 -11.858 1.00 71.12 H new ATOM 0 HA3 GLY A 4 4.316 -4.564 -10.557 1.00 71.12 H new ATOM 40 N ASN A 5 6.120 -6.328 -10.443 1.00 21.01 N ATOM 41 CA ASN A 5 7.148 -7.307 -10.109 1.00 60.22 C ATOM 42 C ASN A 5 7.052 -8.529 -11.018 1.00 55.44 C ATOM 43 O ASN A 5 7.413 -9.639 -10.627 1.00 3.21 O ATOM 44 CB ASN A 5 7.018 -7.735 -8.646 1.00 23.20 C ATOM 45 CG ASN A 5 6.857 -6.553 -7.710 1.00 23.01 C ATOM 46 OD1 ASN A 5 7.719 -5.676 -7.645 1.00 63.50 O ATOM 47 ND2 ASN A 5 5.749 -6.524 -6.979 1.00 21.23 N ATOM 0 H ASN A 5 6.480 -5.408 -10.696 1.00 21.01 H new ATOM 0 HA ASN A 5 8.121 -6.840 -10.259 1.00 60.22 H new ATOM 0 HB2 ASN A 5 6.160 -8.399 -8.539 1.00 23.20 H new ATOM 0 HB3 ASN A 5 7.901 -8.306 -8.357 1.00 23.20 H new ATOM 0 HD21 ASN A 5 5.585 -5.753 -6.331 1.00 21.23 H new ATOM 0 HD22 ASN A 5 5.061 -7.272 -7.065 1.00 21.23 H new ATOM 54 N THR A 6 6.561 -8.316 -12.236 1.00 24.12 N ATOM 55 CA THR A 6 6.417 -9.398 -13.201 1.00 75.50 C ATOM 56 C THR A 6 7.702 -9.604 -13.993 1.00 65.43 C ATOM 57 O THR A 6 7.829 -9.133 -15.124 1.00 63.23 O ATOM 58 CB THR A 6 5.261 -9.125 -14.182 1.00 72.40 C ATOM 59 OG1 THR A 6 4.182 -8.476 -13.500 1.00 4.41 O ATOM 60 CG2 THR A 6 4.765 -10.420 -14.808 1.00 32.22 C ATOM 0 H THR A 6 6.257 -7.404 -12.576 1.00 24.12 H new ATOM 0 HA THR A 6 6.196 -10.301 -12.632 1.00 75.50 H new ATOM 0 HB THR A 6 5.633 -8.475 -14.974 1.00 72.40 H new ATOM 0 HG1 THR A 6 3.452 -8.305 -14.131 1.00 4.41 H new ATOM 0 HG21 THR A 6 3.949 -10.202 -15.497 1.00 32.22 H new ATOM 0 HG22 THR A 6 5.581 -10.897 -15.351 1.00 32.22 H new ATOM 0 HG23 THR A 6 4.410 -11.090 -14.025 1.00 32.22 H new ATOM 68 N LEU A 7 8.654 -10.311 -13.394 1.00 22.22 N ATOM 69 CA LEU A 7 9.932 -10.581 -14.044 1.00 52.35 C ATOM 70 C LEU A 7 9.735 -11.417 -15.305 1.00 23.33 C ATOM 71 O LEU A 7 9.200 -12.525 -15.249 1.00 24.12 O ATOM 72 CB LEU A 7 10.875 -11.303 -13.081 1.00 31.11 C ATOM 73 CG LEU A 7 11.174 -10.581 -11.767 1.00 1.22 C ATOM 74 CD1 LEU A 7 12.025 -11.455 -10.859 1.00 3.00 C ATOM 75 CD2 LEU A 7 11.867 -9.253 -12.034 1.00 40.40 C ATOM 0 H LEU A 7 8.565 -10.708 -12.459 1.00 22.22 H new ATOM 0 HA LEU A 7 10.376 -9.627 -14.328 1.00 52.35 H new ATOM 0 HB2 LEU A 7 10.447 -12.278 -12.847 1.00 31.11 H new ATOM 0 HB3 LEU A 7 11.819 -11.484 -13.596 1.00 31.11 H new ATOM 0 HG LEU A 7 10.229 -10.380 -11.262 1.00 1.22 H new ATOM 0 HD11 LEU A 7 12.228 -10.924 -9.929 1.00 3.00 H new ATOM 0 HD12 LEU A 7 11.492 -12.380 -10.640 1.00 3.00 H new ATOM 0 HD13 LEU A 7 12.967 -11.688 -11.356 1.00 3.00 H new ATOM 0 HD21 LEU A 7 12.072 -8.753 -11.087 1.00 40.40 H new ATOM 0 HD22 LEU A 7 12.804 -9.431 -12.561 1.00 40.40 H new ATOM 0 HD23 LEU A 7 11.222 -8.622 -12.645 1.00 40.40 H new ATOM 87 N ILE A 8 10.173 -10.881 -16.439 1.00 21.12 N ATOM 88 CA ILE A 8 10.048 -11.580 -17.712 1.00 2.12 C ATOM 89 C ILE A 8 11.330 -11.465 -18.530 1.00 52.11 C ATOM 90 O ILE A 8 12.318 -10.887 -18.077 1.00 53.45 O ATOM 91 CB ILE A 8 8.872 -11.032 -18.542 1.00 32.45 C ATOM 92 CG1 ILE A 8 9.050 -9.533 -18.791 1.00 74.44 C ATOM 93 CG2 ILE A 8 7.553 -11.304 -17.834 1.00 32.31 C ATOM 94 CD1 ILE A 8 8.436 -9.060 -20.091 1.00 21.53 C ATOM 0 H ILE A 8 10.617 -9.965 -16.502 1.00 21.12 H new ATOM 0 HA ILE A 8 9.861 -12.628 -17.480 1.00 2.12 H new ATOM 0 HB ILE A 8 8.857 -11.542 -19.505 1.00 32.45 H new ATOM 0 HG12 ILE A 8 8.603 -8.980 -17.965 1.00 74.44 H new ATOM 0 HG13 ILE A 8 10.114 -9.297 -18.794 1.00 74.44 H new ATOM 0 HG21 ILE A 8 6.731 -10.911 -18.432 1.00 32.31 H new ATOM 0 HG22 ILE A 8 7.425 -12.379 -17.703 1.00 32.31 H new ATOM 0 HG23 ILE A 8 7.557 -10.818 -16.859 1.00 32.31 H new ATOM 0 HD11 ILE A 8 8.600 -7.988 -20.202 1.00 21.53 H new ATOM 0 HD12 ILE A 8 8.900 -9.586 -20.925 1.00 21.53 H new ATOM 0 HD13 ILE A 8 7.365 -9.264 -20.083 1.00 21.53 H new ATOM 106 N SER A 9 11.306 -12.018 -19.738 1.00 74.34 N ATOM 107 CA SER A 9 12.466 -11.980 -20.620 1.00 44.32 C ATOM 108 C SER A 9 12.039 -12.032 -22.084 1.00 32.33 C ATOM 109 O SER A 9 11.512 -13.041 -22.553 1.00 33.12 O ATOM 110 CB SER A 9 13.408 -13.145 -20.310 1.00 32.10 C ATOM 111 OG SER A 9 12.875 -14.370 -20.782 1.00 63.52 O ATOM 0 H SER A 9 10.495 -12.498 -20.129 1.00 74.34 H new ATOM 0 HA SER A 9 12.992 -11.041 -20.447 1.00 44.32 H new ATOM 0 HB2 SER A 9 14.379 -12.965 -20.772 1.00 32.10 H new ATOM 0 HB3 SER A 9 13.573 -13.207 -19.234 1.00 32.10 H new ATOM 0 HG SER A 9 12.515 -14.244 -21.685 1.00 63.52 H new ATOM 117 N VAL A 10 12.270 -10.937 -22.801 1.00 31.21 N ATOM 118 CA VAL A 10 11.910 -10.857 -24.212 1.00 23.24 C ATOM 119 C VAL A 10 13.049 -10.268 -25.036 1.00 51.34 C ATOM 120 O VAL A 10 13.544 -9.180 -24.741 1.00 43.14 O ATOM 121 CB VAL A 10 10.645 -10.005 -24.421 1.00 13.42 C ATOM 122 CG1 VAL A 10 10.827 -8.621 -23.816 1.00 40.34 C ATOM 123 CG2 VAL A 10 10.306 -9.909 -25.901 1.00 11.33 C ATOM 0 H VAL A 10 12.705 -10.093 -22.428 1.00 31.21 H new ATOM 0 HA VAL A 10 11.712 -11.875 -24.547 1.00 23.24 H new ATOM 0 HB VAL A 10 9.813 -10.491 -23.912 1.00 13.42 H new ATOM 0 HG11 VAL A 10 9.923 -8.033 -23.974 1.00 40.34 H new ATOM 0 HG12 VAL A 10 11.018 -8.714 -22.747 1.00 40.34 H new ATOM 0 HG13 VAL A 10 11.671 -8.123 -24.294 1.00 40.34 H new ATOM 0 HG21 VAL A 10 9.409 -9.303 -26.030 1.00 11.33 H new ATOM 0 HG22 VAL A 10 11.136 -9.447 -26.435 1.00 11.33 H new ATOM 0 HG23 VAL A 10 10.129 -10.908 -26.299 1.00 11.33 H new ATOM 133 N ASP A 11 13.459 -10.992 -26.071 1.00 70.54 N ATOM 134 CA ASP A 11 14.539 -10.541 -26.941 1.00 51.11 C ATOM 135 C ASP A 11 13.993 -10.074 -28.287 1.00 44.11 C ATOM 136 O ASP A 11 12.932 -10.517 -28.726 1.00 32.33 O ATOM 137 CB ASP A 11 15.557 -11.663 -27.151 1.00 33.11 C ATOM 138 CG ASP A 11 15.136 -12.631 -28.239 1.00 54.44 C ATOM 139 OD1 ASP A 11 15.375 -12.328 -29.427 1.00 14.41 O ATOM 140 OD2 ASP A 11 14.566 -13.690 -27.904 1.00 21.51 O ATOM 0 H ASP A 11 13.060 -11.895 -26.328 1.00 70.54 H new ATOM 0 HA ASP A 11 15.034 -9.699 -26.458 1.00 51.11 H new ATOM 0 HB2 ASP A 11 16.523 -11.229 -27.409 1.00 33.11 H new ATOM 0 HB3 ASP A 11 15.691 -12.208 -26.216 1.00 33.11 H new ATOM 145 N TYR A 12 14.726 -9.176 -28.937 1.00 33.21 N ATOM 146 CA TYR A 12 14.314 -8.646 -30.231 1.00 73.23 C ATOM 147 C TYR A 12 15.467 -7.917 -30.913 1.00 50.24 C ATOM 148 O TYR A 12 16.501 -7.658 -30.299 1.00 64.43 O ATOM 149 CB TYR A 12 13.125 -7.699 -30.063 1.00 14.20 C ATOM 150 CG TYR A 12 13.290 -6.715 -28.927 1.00 23.13 C ATOM 151 CD1 TYR A 12 14.311 -5.772 -28.942 1.00 14.21 C ATOM 152 CD2 TYR A 12 12.428 -6.729 -27.838 1.00 33.53 C ATOM 153 CE1 TYR A 12 14.466 -4.872 -27.906 1.00 4.53 C ATOM 154 CE2 TYR A 12 12.575 -5.832 -26.798 1.00 21.11 C ATOM 155 CZ TYR A 12 13.596 -4.905 -26.836 1.00 71.33 C ATOM 156 OH TYR A 12 13.747 -4.011 -25.802 1.00 11.43 O ATOM 0 H TYR A 12 15.608 -8.800 -28.589 1.00 33.21 H new ATOM 0 HA TYR A 12 14.015 -9.485 -30.860 1.00 73.23 H new ATOM 0 HB2 TYR A 12 12.977 -7.148 -30.991 1.00 14.20 H new ATOM 0 HB3 TYR A 12 12.223 -8.288 -29.894 1.00 14.20 H new ATOM 0 HD1 TYR A 12 14.994 -5.743 -29.778 1.00 14.21 H new ATOM 0 HD2 TYR A 12 11.628 -7.454 -27.804 1.00 33.53 H new ATOM 0 HE1 TYR A 12 15.265 -4.146 -27.933 1.00 4.53 H new ATOM 0 HE2 TYR A 12 11.894 -5.856 -25.960 1.00 21.11 H new ATOM 0 HH TYR A 12 13.011 -3.364 -25.818 1.00 11.43 H new ATOM 166 N GLU A 13 15.279 -7.587 -32.188 1.00 23.44 N ATOM 167 CA GLU A 13 16.304 -6.888 -32.954 1.00 13.20 C ATOM 168 C GLU A 13 15.787 -5.541 -33.450 1.00 53.54 C ATOM 169 O GLU A 13 15.250 -5.438 -34.554 1.00 21.31 O ATOM 170 CB GLU A 13 16.756 -7.741 -34.141 1.00 24.35 C ATOM 171 CG GLU A 13 15.608 -8.361 -34.918 1.00 35.32 C ATOM 172 CD GLU A 13 16.081 -9.316 -35.996 1.00 60.42 C ATOM 173 OE1 GLU A 13 16.701 -8.847 -36.973 1.00 41.43 O ATOM 174 OE2 GLU A 13 15.832 -10.533 -35.864 1.00 14.34 O ATOM 0 H GLU A 13 14.428 -7.792 -32.711 1.00 23.44 H new ATOM 0 HA GLU A 13 17.156 -6.712 -32.297 1.00 13.20 H new ATOM 0 HB2 GLU A 13 17.349 -7.124 -34.816 1.00 24.35 H new ATOM 0 HB3 GLU A 13 17.409 -8.535 -33.779 1.00 24.35 H new ATOM 0 HG2 GLU A 13 14.953 -8.893 -34.228 1.00 35.32 H new ATOM 0 HG3 GLU A 13 15.014 -7.569 -35.375 1.00 35.32 H new ATOM 181 N ILE A 14 15.952 -4.511 -32.627 1.00 51.44 N ATOM 182 CA ILE A 14 15.503 -3.170 -32.982 1.00 72.14 C ATOM 183 C ILE A 14 16.028 -2.760 -34.354 1.00 52.30 C ATOM 184 O ILE A 14 17.143 -3.114 -34.735 1.00 64.43 O ATOM 185 CB ILE A 14 15.955 -2.130 -31.940 1.00 70.41 C ATOM 186 CG1 ILE A 14 15.411 -2.493 -30.557 1.00 25.44 C ATOM 187 CG2 ILE A 14 15.496 -0.738 -32.347 1.00 32.20 C ATOM 188 CD1 ILE A 14 13.907 -2.651 -30.520 1.00 44.45 C ATOM 0 H ILE A 14 16.393 -4.579 -31.710 1.00 51.44 H new ATOM 0 HA ILE A 14 14.414 -3.198 -33.006 1.00 72.14 H new ATOM 0 HB ILE A 14 17.044 -2.133 -31.894 1.00 70.41 H new ATOM 0 HG12 ILE A 14 15.874 -3.423 -30.226 1.00 25.44 H new ATOM 0 HG13 ILE A 14 15.704 -1.721 -29.846 1.00 25.44 H new ATOM 0 HG21 ILE A 14 15.823 -0.014 -31.600 1.00 32.20 H new ATOM 0 HG22 ILE A 14 15.927 -0.481 -33.315 1.00 32.20 H new ATOM 0 HG23 ILE A 14 14.408 -0.720 -32.418 1.00 32.20 H new ATOM 0 HD11 ILE A 14 13.593 -2.908 -29.508 1.00 44.45 H new ATOM 0 HD12 ILE A 14 13.435 -1.715 -30.819 1.00 44.45 H new ATOM 0 HD13 ILE A 14 13.607 -3.444 -31.205 1.00 44.45 H new ATOM 200 N PHE A 15 15.217 -2.009 -35.091 1.00 54.54 N ATOM 201 CA PHE A 15 15.599 -1.548 -36.421 1.00 63.32 C ATOM 202 C PHE A 15 16.158 -0.130 -36.366 1.00 5.32 C ATOM 203 O PHE A 15 16.420 0.405 -35.289 1.00 30.41 O ATOM 204 CB PHE A 15 14.397 -1.598 -37.367 1.00 23.22 C ATOM 205 CG PHE A 15 13.554 -2.830 -37.200 1.00 63.12 C ATOM 206 CD1 PHE A 15 14.145 -4.070 -37.018 1.00 73.32 C ATOM 207 CD2 PHE A 15 12.171 -2.748 -37.226 1.00 44.13 C ATOM 208 CE1 PHE A 15 13.372 -5.206 -36.864 1.00 51.13 C ATOM 209 CE2 PHE A 15 11.394 -3.880 -37.072 1.00 55.14 C ATOM 210 CZ PHE A 15 11.994 -5.110 -36.892 1.00 64.55 C ATOM 0 H PHE A 15 14.291 -1.706 -34.790 1.00 54.54 H new ATOM 0 HA PHE A 15 16.377 -2.212 -36.798 1.00 63.32 H new ATOM 0 HB2 PHE A 15 13.777 -0.717 -37.200 1.00 23.22 H new ATOM 0 HB3 PHE A 15 14.752 -1.547 -38.396 1.00 23.22 H new ATOM 0 HD1 PHE A 15 15.222 -4.150 -36.996 1.00 73.32 H new ATOM 0 HD2 PHE A 15 11.695 -1.789 -37.368 1.00 44.13 H new ATOM 0 HE1 PHE A 15 13.845 -6.167 -36.722 1.00 51.13 H new ATOM 0 HE2 PHE A 15 10.317 -3.802 -37.092 1.00 55.14 H new ATOM 0 HZ PHE A 15 11.387 -5.996 -36.773 1.00 64.55 H new ATOM 220 N GLY A 16 16.340 0.475 -37.536 1.00 71.11 N ATOM 221 CA GLY A 16 16.868 1.825 -37.600 1.00 15.35 C ATOM 222 C GLY A 16 18.211 1.890 -38.298 1.00 5.54 C ATOM 223 O GLY A 16 18.605 0.954 -38.993 1.00 31.42 O ATOM 0 H GLY A 16 16.131 0.054 -38.441 1.00 71.11 H new ATOM 0 HA2 GLY A 16 16.158 2.465 -38.124 1.00 15.35 H new ATOM 0 HA3 GLY A 16 16.968 2.221 -36.589 1.00 15.35 H new ATOM 227 N LYS A 17 18.918 3.001 -38.114 1.00 63.43 N ATOM 228 CA LYS A 17 20.226 3.186 -38.732 1.00 1.13 C ATOM 229 C LYS A 17 21.343 2.795 -37.769 1.00 33.30 C ATOM 230 O LYS A 17 22.471 3.272 -37.884 1.00 44.44 O ATOM 231 CB LYS A 17 20.404 4.641 -39.171 1.00 12.31 C ATOM 232 CG LYS A 17 20.225 5.643 -38.043 1.00 54.14 C ATOM 233 CD LYS A 17 21.539 6.313 -37.678 1.00 72.15 C ATOM 234 CE LYS A 17 22.022 7.235 -38.788 1.00 35.32 C ATOM 235 NZ LYS A 17 21.608 8.646 -38.555 1.00 40.33 N ATOM 0 H LYS A 17 18.607 3.786 -37.542 1.00 63.43 H new ATOM 0 HA LYS A 17 20.281 2.539 -39.607 1.00 1.13 H new ATOM 0 HB2 LYS A 17 21.399 4.763 -39.600 1.00 12.31 H new ATOM 0 HB3 LYS A 17 19.687 4.864 -39.961 1.00 12.31 H new ATOM 0 HG2 LYS A 17 19.500 6.400 -38.340 1.00 54.14 H new ATOM 0 HG3 LYS A 17 19.818 5.137 -37.167 1.00 54.14 H new ATOM 0 HD2 LYS A 17 21.414 6.884 -36.758 1.00 72.15 H new ATOM 0 HD3 LYS A 17 22.294 5.552 -37.481 1.00 72.15 H new ATOM 0 HE2 LYS A 17 23.108 7.182 -38.857 1.00 35.32 H new ATOM 0 HE3 LYS A 17 21.624 6.893 -39.743 1.00 35.32 H new ATOM 0 HZ1 LYS A 17 21.956 9.243 -39.332 1.00 40.33 H new ATOM 0 HZ2 LYS A 17 20.570 8.701 -38.514 1.00 40.33 H new ATOM 0 HZ3 LYS A 17 22.008 8.981 -37.656 1.00 40.33 H new ATOM 249 N VAL A 18 21.021 1.921 -36.820 1.00 14.41 N ATOM 250 CA VAL A 18 21.997 1.464 -35.839 1.00 23.31 C ATOM 251 C VAL A 18 23.147 0.723 -36.512 1.00 60.13 C ATOM 252 O VAL A 18 24.257 0.668 -35.983 1.00 52.23 O ATOM 253 CB VAL A 18 21.349 0.539 -34.791 1.00 3.40 C ATOM 254 CG1 VAL A 18 20.365 1.316 -33.929 1.00 62.14 C ATOM 255 CG2 VAL A 18 20.664 -0.637 -35.470 1.00 13.22 C ATOM 0 H VAL A 18 20.091 1.516 -36.710 1.00 14.41 H new ATOM 0 HA VAL A 18 22.383 2.353 -35.340 1.00 23.31 H new ATOM 0 HB VAL A 18 22.133 0.148 -34.142 1.00 3.40 H new ATOM 0 HG11 VAL A 18 19.917 0.647 -33.195 1.00 62.14 H new ATOM 0 HG12 VAL A 18 20.889 2.121 -33.414 1.00 62.14 H new ATOM 0 HG13 VAL A 18 19.583 1.738 -34.560 1.00 62.14 H new ATOM 0 HG21 VAL A 18 20.212 -1.280 -34.715 1.00 13.22 H new ATOM 0 HG22 VAL A 18 19.890 -0.268 -36.143 1.00 13.22 H new ATOM 0 HG23 VAL A 18 21.399 -1.207 -36.039 1.00 13.22 H new ATOM 265 N GLN A 19 22.873 0.155 -37.682 1.00 61.13 N ATOM 266 CA GLN A 19 23.885 -0.583 -38.428 1.00 65.22 C ATOM 267 C GLN A 19 25.136 0.265 -38.634 1.00 41.13 C ATOM 268 O GLN A 19 26.256 -0.244 -38.605 1.00 34.22 O ATOM 269 CB GLN A 19 23.328 -1.029 -39.781 1.00 44.13 C ATOM 270 CG GLN A 19 22.008 -1.775 -39.680 1.00 12.13 C ATOM 271 CD GLN A 19 21.533 -2.305 -41.018 1.00 34.30 C ATOM 272 OE1 GLN A 19 20.382 -2.101 -41.407 1.00 4.31 O ATOM 273 NE2 GLN A 19 22.418 -2.991 -41.731 1.00 71.43 N ATOM 0 H GLN A 19 21.959 0.192 -38.133 1.00 61.13 H new ATOM 0 HA GLN A 19 24.157 -1.464 -37.847 1.00 65.22 H new ATOM 0 HB2 GLN A 19 23.193 -0.153 -40.415 1.00 44.13 H new ATOM 0 HB3 GLN A 19 24.061 -1.669 -40.273 1.00 44.13 H new ATOM 0 HG2 GLN A 19 22.117 -2.606 -38.983 1.00 12.13 H new ATOM 0 HG3 GLN A 19 21.250 -1.110 -39.267 1.00 12.13 H new ATOM 0 HE21 GLN A 19 23.361 -3.136 -41.370 1.00 71.43 H new ATOM 0 HE22 GLN A 19 22.155 -3.373 -42.640 1.00 71.43 H new ATOM 282 N GLY A 20 24.937 1.563 -38.844 1.00 21.02 N ATOM 283 CA GLY A 20 26.058 2.461 -39.052 1.00 51.04 C ATOM 284 C GLY A 20 26.406 3.253 -37.808 1.00 31.24 C ATOM 285 O GLY A 20 26.900 4.377 -37.896 1.00 25.32 O ATOM 0 H GLY A 20 24.020 2.008 -38.874 1.00 21.02 H new ATOM 0 HA2 GLY A 20 26.928 1.884 -39.367 1.00 51.04 H new ATOM 0 HA3 GLY A 20 25.822 3.150 -39.863 1.00 51.04 H new ATOM 289 N VAL A 21 26.146 2.667 -36.643 1.00 73.42 N ATOM 290 CA VAL A 21 26.434 3.325 -35.375 1.00 21.24 C ATOM 291 C VAL A 21 26.871 2.316 -34.319 1.00 21.42 C ATOM 292 O VAL A 21 26.375 1.189 -34.278 1.00 1.51 O ATOM 293 CB VAL A 21 25.209 4.099 -34.853 1.00 2.21 C ATOM 294 CG1 VAL A 21 25.540 4.804 -33.546 1.00 51.54 C ATOM 295 CG2 VAL A 21 24.724 5.093 -35.897 1.00 14.31 C ATOM 0 H VAL A 21 25.736 1.737 -36.552 1.00 73.42 H new ATOM 0 HA VAL A 21 27.246 4.028 -35.561 1.00 21.24 H new ATOM 0 HB VAL A 21 24.406 3.388 -34.661 1.00 2.21 H new ATOM 0 HG11 VAL A 21 24.663 5.346 -33.192 1.00 51.54 H new ATOM 0 HG12 VAL A 21 25.836 4.067 -32.800 1.00 51.54 H new ATOM 0 HG13 VAL A 21 26.358 5.505 -33.708 1.00 51.54 H new ATOM 0 HG21 VAL A 21 23.858 5.631 -35.512 1.00 14.31 H new ATOM 0 HG22 VAL A 21 25.521 5.802 -36.123 1.00 14.31 H new ATOM 0 HG23 VAL A 21 24.445 4.559 -36.806 1.00 14.31 H new ATOM 305 N PHE A 22 27.803 2.727 -33.465 1.00 71.30 N ATOM 306 CA PHE A 22 28.308 1.858 -32.408 1.00 11.30 C ATOM 307 C PHE A 22 27.974 2.426 -31.032 1.00 34.04 C ATOM 308 O PHE A 22 28.850 2.575 -30.180 1.00 12.43 O ATOM 309 CB PHE A 22 29.821 1.680 -32.545 1.00 4.23 C ATOM 310 CG PHE A 22 30.559 2.969 -32.772 1.00 74.11 C ATOM 311 CD1 PHE A 22 30.705 3.483 -34.051 1.00 33.44 C ATOM 312 CD2 PHE A 22 31.106 3.666 -31.707 1.00 51.53 C ATOM 313 CE1 PHE A 22 31.382 4.669 -34.263 1.00 62.53 C ATOM 314 CE2 PHE A 22 31.784 4.853 -31.914 1.00 31.12 C ATOM 315 CZ PHE A 22 31.923 5.354 -33.193 1.00 64.14 C ATOM 0 H PHE A 22 28.224 3.656 -33.484 1.00 71.30 H new ATOM 0 HA PHE A 22 27.824 0.886 -32.508 1.00 11.30 H new ATOM 0 HB2 PHE A 22 30.206 1.204 -31.643 1.00 4.23 H new ATOM 0 HB3 PHE A 22 30.025 1.003 -33.374 1.00 4.23 H new ATOM 0 HD1 PHE A 22 30.285 2.951 -34.891 1.00 33.44 H new ATOM 0 HD2 PHE A 22 31.002 3.278 -30.704 1.00 51.53 H new ATOM 0 HE1 PHE A 22 31.488 5.060 -35.264 1.00 62.53 H new ATOM 0 HE2 PHE A 22 32.205 5.388 -31.076 1.00 31.12 H new ATOM 0 HZ PHE A 22 32.454 6.280 -33.356 1.00 64.14 H new ATOM 325 N PHE A 23 26.700 2.741 -30.822 1.00 12.23 N ATOM 326 CA PHE A 23 26.249 3.294 -29.550 1.00 14.00 C ATOM 327 C PHE A 23 25.524 2.236 -28.724 1.00 35.24 C ATOM 328 O PHE A 23 24.342 1.967 -28.939 1.00 74.12 O ATOM 329 CB PHE A 23 25.326 4.491 -29.789 1.00 2.23 C ATOM 330 CG PHE A 23 26.053 5.804 -29.856 1.00 61.13 C ATOM 331 CD1 PHE A 23 27.026 6.023 -30.818 1.00 41.21 C ATOM 332 CD2 PHE A 23 25.763 6.819 -28.959 1.00 30.44 C ATOM 333 CE1 PHE A 23 27.697 7.230 -30.882 1.00 31.11 C ATOM 334 CE2 PHE A 23 26.430 8.028 -29.018 1.00 23.32 C ATOM 335 CZ PHE A 23 27.398 8.234 -29.982 1.00 32.35 C ATOM 0 H PHE A 23 25.962 2.623 -31.516 1.00 12.23 H new ATOM 0 HA PHE A 23 27.126 3.625 -28.995 1.00 14.00 H new ATOM 0 HB2 PHE A 23 24.780 4.339 -30.720 1.00 2.23 H new ATOM 0 HB3 PHE A 23 24.586 4.535 -28.990 1.00 2.23 H new ATOM 0 HD1 PHE A 23 27.263 5.242 -31.526 1.00 41.21 H new ATOM 0 HD2 PHE A 23 25.006 6.664 -28.204 1.00 30.44 H new ATOM 0 HE1 PHE A 23 28.455 7.388 -31.635 1.00 31.11 H new ATOM 0 HE2 PHE A 23 26.195 8.810 -28.312 1.00 23.32 H new ATOM 0 HZ PHE A 23 27.920 9.178 -30.032 1.00 32.35 H new ATOM 345 N ARG A 24 26.241 1.639 -27.778 1.00 32.45 N ATOM 346 CA ARG A 24 25.667 0.609 -26.920 1.00 24.33 C ATOM 347 C ARG A 24 25.650 1.062 -25.463 1.00 15.41 C ATOM 348 O ARG A 24 24.824 0.609 -24.670 1.00 11.10 O ATOM 349 CB ARG A 24 26.460 -0.693 -27.050 1.00 22.11 C ATOM 350 CG ARG A 24 26.718 -1.108 -28.489 1.00 45.43 C ATOM 351 CD ARG A 24 27.465 -2.431 -28.563 1.00 14.43 C ATOM 352 NE ARG A 24 28.879 -2.281 -28.230 1.00 52.42 N ATOM 353 CZ ARG A 24 29.769 -1.719 -29.041 1.00 13.33 C ATOM 354 NH1 ARG A 24 29.392 -1.256 -30.225 1.00 5.33 N ATOM 355 NH2 ARG A 24 31.038 -1.619 -28.667 1.00 11.50 N ATOM 0 H ARG A 24 27.220 1.851 -27.586 1.00 32.45 H new ATOM 0 HA ARG A 24 24.640 0.435 -27.241 1.00 24.33 H new ATOM 0 HB2 ARG A 24 27.415 -0.580 -26.537 1.00 22.11 H new ATOM 0 HB3 ARG A 24 25.918 -1.491 -26.542 1.00 22.11 H new ATOM 0 HG2 ARG A 24 25.770 -1.194 -29.019 1.00 45.43 H new ATOM 0 HG3 ARG A 24 27.296 -0.334 -28.994 1.00 45.43 H new ATOM 0 HD2 ARG A 24 27.006 -3.145 -27.880 1.00 14.43 H new ATOM 0 HD3 ARG A 24 27.371 -2.845 -29.567 1.00 14.43 H new ATOM 0 HE ARG A 24 29.201 -2.626 -27.326 1.00 52.42 H new ATOM 0 HH11 ARG A 24 28.417 -1.331 -30.515 1.00 5.33 H new ATOM 0 HH12 ARG A 24 30.077 -0.825 -30.846 1.00 5.33 H new ATOM 0 HH21 ARG A 24 31.331 -1.974 -27.757 1.00 11.50 H new ATOM 0 HH22 ARG A 24 31.721 -1.188 -29.290 1.00 11.50 H new ATOM 369 N LYS A 25 26.566 1.960 -25.117 1.00 23.31 N ATOM 370 CA LYS A 25 26.657 2.476 -23.756 1.00 52.24 C ATOM 371 C LYS A 25 25.524 3.457 -23.470 1.00 61.03 C ATOM 372 O LYS A 25 25.126 3.643 -22.320 1.00 31.51 O ATOM 373 CB LYS A 25 28.007 3.163 -23.538 1.00 62.52 C ATOM 374 CG LYS A 25 28.429 3.226 -22.080 1.00 53.04 C ATOM 375 CD LYS A 25 29.828 3.799 -21.929 1.00 14.51 C ATOM 376 CE LYS A 25 30.893 2.746 -22.192 1.00 1.44 C ATOM 377 NZ LYS A 25 31.097 1.858 -21.014 1.00 63.00 N ATOM 0 H LYS A 25 27.257 2.346 -25.761 1.00 23.31 H new ATOM 0 HA LYS A 25 26.569 1.635 -23.068 1.00 52.24 H new ATOM 0 HB2 LYS A 25 28.771 2.632 -24.106 1.00 62.52 H new ATOM 0 HB3 LYS A 25 27.958 4.176 -23.938 1.00 62.52 H new ATOM 0 HG2 LYS A 25 27.722 3.839 -21.522 1.00 53.04 H new ATOM 0 HG3 LYS A 25 28.396 2.226 -21.647 1.00 53.04 H new ATOM 0 HD2 LYS A 25 29.958 4.631 -22.621 1.00 14.51 H new ATOM 0 HD3 LYS A 25 29.952 4.200 -20.923 1.00 14.51 H new ATOM 0 HE2 LYS A 25 30.604 2.145 -23.054 1.00 1.44 H new ATOM 0 HE3 LYS A 25 31.833 3.236 -22.445 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 31.830 1.154 -21.233 1.00 63.00 H new ATOM 0 HZ2 LYS A 25 31.397 2.428 -20.197 1.00 63.00 H new ATOM 0 HZ3 LYS A 25 30.206 1.371 -20.788 1.00 63.00 H new ATOM 391 N HIS A 26 25.008 4.082 -24.524 1.00 71.30 N ATOM 392 CA HIS A 26 23.919 5.042 -24.386 1.00 10.14 C ATOM 393 C HIS A 26 22.584 4.327 -24.199 1.00 62.14 C ATOM 394 O HIS A 26 21.759 4.733 -23.381 1.00 34.34 O ATOM 395 CB HIS A 26 23.856 5.954 -25.611 1.00 72.45 C ATOM 396 CG HIS A 26 23.367 7.336 -25.306 1.00 31.15 C ATOM 397 ND1 HIS A 26 23.890 8.467 -25.896 1.00 73.01 N ATOM 398 CD2 HIS A 26 22.396 7.766 -24.466 1.00 72.05 C ATOM 399 CE1 HIS A 26 23.263 9.533 -25.432 1.00 54.12 C ATOM 400 NE2 HIS A 26 22.351 9.135 -24.563 1.00 51.04 N ATOM 0 H HIS A 26 25.327 3.941 -25.483 1.00 71.30 H new ATOM 0 HA HIS A 26 24.113 5.648 -23.501 1.00 10.14 H new ATOM 0 HB2 HIS A 26 24.849 6.019 -26.056 1.00 72.45 H new ATOM 0 HB3 HIS A 26 23.201 5.502 -26.356 1.00 72.45 H new ATOM 0 HD2 HIS A 26 21.773 7.148 -23.837 1.00 72.05 H new ATOM 0 HE1 HIS A 26 23.462 10.556 -25.715 1.00 54.12 H new ATOM 0 HE2 HIS A 26 21.717 9.745 -24.048 1.00 51.04 H new ATOM 408 N THR A 27 22.378 3.260 -24.965 1.00 71.03 N ATOM 409 CA THR A 27 21.143 2.490 -24.886 1.00 63.44 C ATOM 410 C THR A 27 21.062 1.714 -23.577 1.00 12.25 C ATOM 411 O THR A 27 19.983 1.552 -23.007 1.00 52.24 O ATOM 412 CB THR A 27 21.021 1.503 -26.063 1.00 32.44 C ATOM 413 OG1 THR A 27 19.801 0.761 -25.955 1.00 32.34 O ATOM 414 CG2 THR A 27 22.202 0.545 -26.090 1.00 61.53 C ATOM 0 H THR A 27 23.051 2.910 -25.647 1.00 71.03 H new ATOM 0 HA THR A 27 20.321 3.204 -24.933 1.00 63.44 H new ATOM 0 HB THR A 27 21.017 2.076 -26.990 1.00 32.44 H new ATOM 0 HG1 THR A 27 19.962 -0.172 -26.208 1.00 32.34 H new ATOM 0 HG21 THR A 27 22.094 -0.142 -26.929 1.00 61.53 H new ATOM 0 HG22 THR A 27 23.127 1.111 -26.201 1.00 61.53 H new ATOM 0 HG23 THR A 27 22.233 -0.021 -25.159 1.00 61.53 H new ATOM 422 N GLN A 28 22.209 1.238 -23.104 1.00 21.12 N ATOM 423 CA GLN A 28 22.266 0.479 -21.860 1.00 0.20 C ATOM 424 C GLN A 28 22.218 1.409 -20.652 1.00 42.33 C ATOM 425 O GLN A 28 21.690 1.050 -19.600 1.00 41.05 O ATOM 426 CB GLN A 28 23.537 -0.371 -21.814 1.00 40.31 C ATOM 427 CG GLN A 28 24.799 0.435 -21.550 1.00 54.31 C ATOM 428 CD GLN A 28 25.063 0.638 -20.071 1.00 71.02 C ATOM 429 OE1 GLN A 28 24.823 -0.255 -19.258 1.00 3.11 O ATOM 430 NE2 GLN A 28 25.560 1.817 -19.714 1.00 71.45 N ATOM 0 H GLN A 28 23.111 1.364 -23.563 1.00 21.12 H new ATOM 0 HA GLN A 28 21.397 -0.178 -21.825 1.00 0.20 H new ATOM 0 HB2 GLN A 28 23.430 -1.128 -21.037 1.00 40.31 H new ATOM 0 HB3 GLN A 28 23.645 -0.900 -22.761 1.00 40.31 H new ATOM 0 HG2 GLN A 28 25.651 -0.073 -22.001 1.00 54.31 H new ATOM 0 HG3 GLN A 28 24.713 1.407 -22.037 1.00 54.31 H new ATOM 0 HE21 GLN A 28 25.744 2.528 -20.422 1.00 71.45 H new ATOM 0 HE22 GLN A 28 25.758 2.011 -18.732 1.00 71.45 H new ATOM 439 N ALA A 29 22.774 2.606 -20.811 1.00 12.10 N ATOM 440 CA ALA A 29 22.793 3.588 -19.734 1.00 50.32 C ATOM 441 C ALA A 29 21.378 3.980 -19.324 1.00 13.54 C ATOM 442 O ALA A 29 21.109 4.229 -18.149 1.00 24.54 O ATOM 443 CB ALA A 29 23.582 4.819 -20.156 1.00 62.22 C ATOM 0 H ALA A 29 23.217 2.919 -21.675 1.00 12.10 H new ATOM 0 HA ALA A 29 23.281 3.135 -18.871 1.00 50.32 H new ATOM 0 HB1 ALA A 29 23.588 5.544 -19.342 1.00 62.22 H new ATOM 0 HB2 ALA A 29 24.606 4.531 -20.393 1.00 62.22 H new ATOM 0 HB3 ALA A 29 23.118 5.265 -21.036 1.00 62.22 H new ATOM 449 N GLU A 30 20.477 4.035 -20.300 1.00 32.14 N ATOM 450 CA GLU A 30 19.089 4.399 -20.038 1.00 62.21 C ATOM 451 C GLU A 30 18.350 3.260 -19.341 1.00 42.01 C ATOM 452 O GLU A 30 17.452 3.491 -18.533 1.00 2.23 O ATOM 453 CB GLU A 30 18.378 4.759 -21.344 1.00 62.33 C ATOM 454 CG GLU A 30 16.864 4.669 -21.258 1.00 11.03 C ATOM 455 CD GLU A 30 16.284 5.590 -20.202 1.00 24.04 C ATOM 456 OE1 GLU A 30 16.665 6.779 -20.179 1.00 51.30 O ATOM 457 OE2 GLU A 30 15.451 5.122 -19.398 1.00 22.11 O ATOM 0 H GLU A 30 20.683 3.832 -21.278 1.00 32.14 H new ATOM 0 HA GLU A 30 19.086 5.268 -19.380 1.00 62.21 H new ATOM 0 HB2 GLU A 30 18.657 5.772 -21.632 1.00 62.33 H new ATOM 0 HB3 GLU A 30 18.729 4.095 -22.134 1.00 62.33 H new ATOM 0 HG2 GLU A 30 16.433 4.918 -22.228 1.00 11.03 H new ATOM 0 HG3 GLU A 30 16.577 3.641 -21.036 1.00 11.03 H new ATOM 464 N GLY A 31 18.735 2.028 -19.662 1.00 5.44 N ATOM 465 CA GLY A 31 18.100 0.872 -19.059 1.00 35.34 C ATOM 466 C GLY A 31 18.425 0.734 -17.584 1.00 74.05 C ATOM 467 O GLY A 31 17.654 0.149 -16.823 1.00 1.33 O ATOM 0 H GLY A 31 19.475 1.811 -20.329 1.00 5.44 H new ATOM 0 HA2 GLY A 31 17.020 0.948 -19.184 1.00 35.34 H new ATOM 0 HA3 GLY A 31 18.419 -0.029 -19.584 1.00 35.34 H new ATOM 471 N LYS A 32 19.570 1.272 -17.180 1.00 41.21 N ATOM 472 CA LYS A 32 19.997 1.207 -15.787 1.00 41.15 C ATOM 473 C LYS A 32 19.232 2.215 -14.936 1.00 42.41 C ATOM 474 O LYS A 32 18.991 1.986 -13.751 1.00 14.32 O ATOM 475 CB LYS A 32 21.501 1.470 -15.681 1.00 11.31 C ATOM 476 CG LYS A 32 22.346 0.516 -16.507 1.00 34.42 C ATOM 477 CD LYS A 32 22.774 -0.695 -15.695 1.00 35.41 C ATOM 478 CE LYS A 32 24.140 -1.202 -16.129 1.00 24.44 C ATOM 479 NZ LYS A 32 25.245 -0.438 -15.486 1.00 21.14 N ATOM 0 H LYS A 32 20.220 1.758 -17.798 1.00 41.21 H new ATOM 0 HA LYS A 32 19.782 0.206 -15.413 1.00 41.15 H new ATOM 0 HB2 LYS A 32 21.706 2.492 -16.000 1.00 11.31 H new ATOM 0 HB3 LYS A 32 21.801 1.396 -14.636 1.00 11.31 H new ATOM 0 HG2 LYS A 32 21.780 0.189 -17.379 1.00 34.42 H new ATOM 0 HG3 LYS A 32 23.229 1.038 -16.877 1.00 34.42 H new ATOM 0 HD2 LYS A 32 22.801 -0.434 -14.637 1.00 35.41 H new ATOM 0 HD3 LYS A 32 22.037 -1.490 -15.809 1.00 35.41 H new ATOM 0 HE2 LYS A 32 24.233 -2.258 -15.875 1.00 24.44 H new ATOM 0 HE3 LYS A 32 24.228 -1.126 -17.213 1.00 24.44 H new ATOM 0 HZ1 LYS A 32 26.160 -0.814 -15.807 1.00 21.14 H new ATOM 0 HZ2 LYS A 32 25.172 0.566 -15.748 1.00 21.14 H new ATOM 0 HZ3 LYS A 32 25.176 -0.532 -14.453 1.00 21.14 H new ATOM 493 N LYS A 33 18.852 3.332 -15.548 1.00 62.10 N ATOM 494 CA LYS A 33 18.112 4.375 -14.848 1.00 31.22 C ATOM 495 C LYS A 33 16.833 3.815 -14.234 1.00 12.14 C ATOM 496 O LYS A 33 16.323 4.345 -13.245 1.00 24.41 O ATOM 497 CB LYS A 33 17.772 5.519 -15.806 1.00 22.30 C ATOM 498 CG LYS A 33 18.773 6.660 -15.770 1.00 5.23 C ATOM 499 CD LYS A 33 18.559 7.552 -14.558 1.00 62.31 C ATOM 500 CE LYS A 33 17.650 8.727 -14.884 1.00 62.34 C ATOM 501 NZ LYS A 33 16.217 8.403 -14.644 1.00 73.52 N ATOM 0 H LYS A 33 19.045 3.538 -16.528 1.00 62.10 H new ATOM 0 HA LYS A 33 18.743 4.757 -14.045 1.00 31.22 H new ATOM 0 HB2 LYS A 33 17.717 5.127 -16.822 1.00 22.30 H new ATOM 0 HB3 LYS A 33 16.783 5.906 -15.560 1.00 22.30 H new ATOM 0 HG2 LYS A 33 19.785 6.257 -15.752 1.00 5.23 H new ATOM 0 HG3 LYS A 33 18.683 7.253 -16.680 1.00 5.23 H new ATOM 0 HD2 LYS A 33 18.124 6.968 -13.747 1.00 62.31 H new ATOM 0 HD3 LYS A 33 19.521 7.922 -14.203 1.00 62.31 H new ATOM 0 HE2 LYS A 33 17.935 9.586 -14.276 1.00 62.34 H new ATOM 0 HE3 LYS A 33 17.788 9.014 -15.926 1.00 62.34 H new ATOM 0 HZ1 LYS A 33 15.674 9.284 -14.545 1.00 73.52 H new ATOM 0 HZ2 LYS A 33 15.846 7.856 -15.447 1.00 73.52 H new ATOM 0 HZ3 LYS A 33 16.129 7.842 -13.773 1.00 73.52 H new ATOM 515 N LEU A 34 16.319 2.742 -14.824 1.00 20.30 N ATOM 516 CA LEU A 34 15.099 2.109 -14.334 1.00 25.14 C ATOM 517 C LEU A 34 15.426 0.964 -13.381 1.00 33.55 C ATOM 518 O LEU A 34 14.759 0.780 -12.363 1.00 2.21 O ATOM 519 CB LEU A 34 14.264 1.590 -15.505 1.00 50.23 C ATOM 520 CG LEU A 34 13.445 2.637 -16.261 1.00 11.21 C ATOM 521 CD1 LEU A 34 13.073 2.127 -17.644 1.00 52.25 C ATOM 522 CD2 LEU A 34 12.197 3.008 -15.474 1.00 34.15 C ATOM 0 H LEU A 34 16.728 2.292 -15.643 1.00 20.30 H new ATOM 0 HA LEU A 34 14.523 2.858 -13.790 1.00 25.14 H new ATOM 0 HB2 LEU A 34 14.932 1.100 -16.213 1.00 50.23 H new ATOM 0 HB3 LEU A 34 13.583 0.827 -15.129 1.00 50.23 H new ATOM 0 HG LEU A 34 14.056 3.532 -16.379 1.00 11.21 H new ATOM 0 HD11 LEU A 34 12.491 2.885 -18.167 1.00 52.25 H new ATOM 0 HD12 LEU A 34 13.980 1.913 -18.209 1.00 52.25 H new ATOM 0 HD13 LEU A 34 12.481 1.217 -17.549 1.00 52.25 H new ATOM 0 HD21 LEU A 34 11.626 3.754 -16.027 1.00 34.15 H new ATOM 0 HD22 LEU A 34 11.584 2.119 -15.325 1.00 34.15 H new ATOM 0 HD23 LEU A 34 12.486 3.417 -14.506 1.00 34.15 H new ATOM 534 N GLY A 35 16.458 0.196 -13.717 1.00 70.11 N ATOM 535 CA GLY A 35 16.856 -0.921 -12.880 1.00 2.41 C ATOM 536 C GLY A 35 16.599 -2.261 -13.540 1.00 43.21 C ATOM 537 O GLY A 35 16.136 -3.201 -12.894 1.00 35.14 O ATOM 0 H GLY A 35 17.026 0.327 -14.554 1.00 70.11 H new ATOM 0 HA2 GLY A 35 17.916 -0.834 -12.643 1.00 2.41 H new ATOM 0 HA3 GLY A 35 16.314 -0.875 -11.936 1.00 2.41 H new ATOM 541 N LEU A 36 16.899 -2.349 -14.831 1.00 61.51 N ATOM 542 CA LEU A 36 16.696 -3.585 -15.581 1.00 5.45 C ATOM 543 C LEU A 36 18.024 -4.137 -16.089 1.00 22.32 C ATOM 544 O LEU A 36 19.037 -3.438 -16.098 1.00 41.31 O ATOM 545 CB LEU A 36 15.749 -3.341 -16.756 1.00 73.23 C ATOM 546 CG LEU A 36 14.373 -2.774 -16.403 1.00 44.34 C ATOM 547 CD1 LEU A 36 13.797 -2.000 -17.579 1.00 63.33 C ATOM 548 CD2 LEU A 36 13.428 -3.889 -15.982 1.00 61.41 C ATOM 0 H LEU A 36 17.283 -1.580 -15.380 1.00 61.51 H new ATOM 0 HA LEU A 36 16.251 -4.320 -14.910 1.00 5.45 H new ATOM 0 HB2 LEU A 36 16.234 -2.656 -17.452 1.00 73.23 H new ATOM 0 HB3 LEU A 36 15.607 -4.284 -17.284 1.00 73.23 H new ATOM 0 HG LEU A 36 14.489 -2.088 -15.564 1.00 44.34 H new ATOM 0 HD11 LEU A 36 12.818 -1.604 -17.309 1.00 63.33 H new ATOM 0 HD12 LEU A 36 14.464 -1.176 -17.834 1.00 63.33 H new ATOM 0 HD13 LEU A 36 13.696 -2.664 -18.437 1.00 63.33 H new ATOM 0 HD21 LEU A 36 12.454 -3.467 -15.735 1.00 61.41 H new ATOM 0 HD22 LEU A 36 13.318 -4.601 -16.800 1.00 61.41 H new ATOM 0 HD23 LEU A 36 13.834 -4.400 -15.109 1.00 61.41 H new ATOM 560 N VAL A 37 18.011 -5.397 -16.513 1.00 44.13 N ATOM 561 CA VAL A 37 19.213 -6.043 -17.027 1.00 5.14 C ATOM 562 C VAL A 37 19.042 -6.442 -18.488 1.00 14.30 C ATOM 563 O VAL A 37 18.024 -6.139 -19.109 1.00 70.15 O ATOM 564 CB VAL A 37 19.573 -7.294 -16.203 1.00 45.14 C ATOM 565 CG1 VAL A 37 19.755 -6.934 -14.737 1.00 33.24 C ATOM 566 CG2 VAL A 37 18.507 -8.366 -16.370 1.00 41.11 C ATOM 0 H VAL A 37 17.181 -5.990 -16.511 1.00 44.13 H new ATOM 0 HA VAL A 37 20.022 -5.317 -16.945 1.00 5.14 H new ATOM 0 HB VAL A 37 20.517 -7.693 -16.573 1.00 45.14 H new ATOM 0 HG11 VAL A 37 20.009 -7.830 -14.171 1.00 33.24 H new ATOM 0 HG12 VAL A 37 20.558 -6.203 -14.639 1.00 33.24 H new ATOM 0 HG13 VAL A 37 18.829 -6.510 -14.349 1.00 33.24 H new ATOM 0 HG21 VAL A 37 18.777 -9.243 -15.781 1.00 41.11 H new ATOM 0 HG22 VAL A 37 17.547 -7.981 -16.027 1.00 41.11 H new ATOM 0 HG23 VAL A 37 18.432 -8.644 -17.421 1.00 41.11 H new ATOM 576 N GLY A 38 20.045 -7.124 -19.032 1.00 30.34 N ATOM 577 CA GLY A 38 19.985 -7.554 -20.416 1.00 63.33 C ATOM 578 C GLY A 38 21.335 -7.486 -21.103 1.00 52.33 C ATOM 579 O GLY A 38 22.365 -7.771 -20.492 1.00 52.54 O ATOM 0 H GLY A 38 20.898 -7.386 -18.538 1.00 30.34 H new ATOM 0 HA2 GLY A 38 19.610 -8.576 -20.460 1.00 63.33 H new ATOM 0 HA3 GLY A 38 19.274 -6.930 -20.957 1.00 63.33 H new ATOM 583 N TRP A 39 21.330 -7.109 -22.377 1.00 13.13 N ATOM 584 CA TRP A 39 22.563 -7.006 -23.148 1.00 4.20 C ATOM 585 C TRP A 39 22.289 -6.452 -24.542 1.00 4.23 C ATOM 586 O TRP A 39 21.306 -6.820 -25.185 1.00 1.05 O ATOM 587 CB TRP A 39 23.239 -8.374 -23.253 1.00 41.13 C ATOM 588 CG TRP A 39 22.347 -9.435 -23.824 1.00 42.53 C ATOM 589 CD1 TRP A 39 22.087 -9.662 -25.145 1.00 74.25 C ATOM 590 CD2 TRP A 39 21.597 -10.409 -23.092 1.00 23.44 C ATOM 591 NE1 TRP A 39 21.220 -10.720 -25.278 1.00 73.11 N ATOM 592 CE2 TRP A 39 20.905 -11.196 -24.033 1.00 23.41 C ATOM 593 CE3 TRP A 39 21.445 -10.696 -21.732 1.00 54.33 C ATOM 594 CZ2 TRP A 39 20.074 -12.248 -23.656 1.00 40.12 C ATOM 595 CZ3 TRP A 39 20.619 -11.739 -21.360 1.00 70.41 C ATOM 596 CH2 TRP A 39 19.943 -12.506 -22.319 1.00 12.23 C ATOM 0 H TRP A 39 20.486 -6.870 -22.897 1.00 13.13 H new ATOM 0 HA TRP A 39 23.230 -6.318 -22.629 1.00 4.20 H new ATOM 0 HB2 TRP A 39 24.129 -8.284 -23.875 1.00 41.13 H new ATOM 0 HB3 TRP A 39 23.572 -8.684 -22.262 1.00 41.13 H new ATOM 0 HD1 TRP A 39 22.502 -9.094 -25.965 1.00 74.25 H new ATOM 0 HE1 TRP A 39 20.868 -11.091 -26.161 1.00 73.11 H new ATOM 0 HE3 TRP A 39 21.964 -10.113 -20.986 1.00 54.33 H new ATOM 0 HZ2 TRP A 39 19.551 -12.839 -24.393 1.00 40.12 H new ATOM 0 HZ3 TRP A 39 20.492 -11.967 -20.312 1.00 70.41 H new ATOM 0 HH2 TRP A 39 19.306 -13.316 -21.996 1.00 12.23 H new ATOM 607 N VAL A 40 23.165 -5.565 -25.004 1.00 52.21 N ATOM 608 CA VAL A 40 23.017 -4.961 -26.323 1.00 64.00 C ATOM 609 C VAL A 40 24.098 -5.456 -27.278 1.00 74.31 C ATOM 610 O VAL A 40 25.289 -5.370 -26.981 1.00 53.42 O ATOM 611 CB VAL A 40 23.080 -3.424 -26.247 1.00 3.11 C ATOM 612 CG1 VAL A 40 22.763 -2.809 -27.601 1.00 54.42 C ATOM 613 CG2 VAL A 40 22.129 -2.904 -25.180 1.00 31.43 C ATOM 0 H VAL A 40 23.984 -5.249 -24.485 1.00 52.21 H new ATOM 0 HA VAL A 40 22.038 -5.259 -26.700 1.00 64.00 H new ATOM 0 HB VAL A 40 24.093 -3.133 -25.971 1.00 3.11 H new ATOM 0 HG11 VAL A 40 22.812 -1.723 -27.528 1.00 54.42 H new ATOM 0 HG12 VAL A 40 23.488 -3.156 -28.337 1.00 54.42 H new ATOM 0 HG13 VAL A 40 21.761 -3.107 -27.910 1.00 54.42 H new ATOM 0 HG21 VAL A 40 22.187 -1.816 -25.140 1.00 31.43 H new ATOM 0 HG22 VAL A 40 21.110 -3.205 -25.423 1.00 31.43 H new ATOM 0 HG23 VAL A 40 22.408 -3.318 -24.211 1.00 31.43 H new ATOM 623 N GLN A 41 23.673 -5.975 -28.426 1.00 14.14 N ATOM 624 CA GLN A 41 24.605 -6.484 -29.425 1.00 34.44 C ATOM 625 C GLN A 41 24.187 -6.056 -30.827 1.00 75.45 C ATOM 626 O GLN A 41 22.999 -5.916 -31.116 1.00 31.31 O ATOM 627 CB GLN A 41 24.685 -8.010 -29.347 1.00 11.03 C ATOM 628 CG GLN A 41 25.920 -8.589 -30.018 1.00 31.22 C ATOM 629 CD GLN A 41 25.774 -10.064 -30.336 1.00 35.20 C ATOM 630 OE1 GLN A 41 26.112 -10.511 -31.432 1.00 64.21 O ATOM 631 NE2 GLN A 41 25.267 -10.830 -29.376 1.00 52.45 N ATOM 0 H GLN A 41 22.690 -6.054 -28.687 1.00 14.14 H new ATOM 0 HA GLN A 41 25.589 -6.064 -29.215 1.00 34.44 H new ATOM 0 HB2 GLN A 41 24.675 -8.313 -28.300 1.00 11.03 H new ATOM 0 HB3 GLN A 41 23.796 -8.436 -29.811 1.00 11.03 H new ATOM 0 HG2 GLN A 41 26.119 -8.041 -30.939 1.00 31.22 H new ATOM 0 HG3 GLN A 41 26.783 -8.445 -29.368 1.00 31.22 H new ATOM 0 HE21 GLN A 41 25.000 -10.418 -28.482 1.00 52.45 H new ATOM 0 HE22 GLN A 41 25.145 -11.830 -29.533 1.00 52.45 H new ATOM 640 N ASN A 42 25.171 -5.850 -31.696 1.00 2.21 N ATOM 641 CA ASN A 42 24.905 -5.437 -33.069 1.00 42.50 C ATOM 642 C ASN A 42 25.187 -6.575 -34.044 1.00 63.42 C ATOM 643 O ASN A 42 26.316 -6.749 -34.505 1.00 42.40 O ATOM 644 CB ASN A 42 25.756 -4.218 -33.431 1.00 4.22 C ATOM 645 CG ASN A 42 25.723 -3.909 -34.915 1.00 73.02 C ATOM 646 OD1 ASN A 42 24.672 -3.984 -35.552 1.00 51.13 O ATOM 647 ND2 ASN A 42 26.876 -3.560 -35.473 1.00 40.11 N ATOM 0 H ASN A 42 26.160 -5.962 -31.474 1.00 2.21 H new ATOM 0 HA ASN A 42 23.851 -5.171 -33.144 1.00 42.50 H new ATOM 0 HB2 ASN A 42 25.399 -3.351 -32.874 1.00 4.22 H new ATOM 0 HB3 ASN A 42 26.787 -4.393 -33.122 1.00 4.22 H new ATOM 0 HD21 ASN A 42 26.915 -3.341 -36.468 1.00 40.11 H new ATOM 0 HD22 ASN A 42 27.723 -3.511 -34.906 1.00 40.11 H new ATOM 654 N THR A 43 24.153 -7.351 -34.356 1.00 0.53 N ATOM 655 CA THR A 43 24.289 -8.473 -35.275 1.00 73.02 C ATOM 656 C THR A 43 24.840 -8.017 -36.621 1.00 63.53 C ATOM 657 O THR A 43 24.865 -6.824 -36.921 1.00 1.42 O ATOM 658 CB THR A 43 22.940 -9.182 -35.499 1.00 54.24 C ATOM 659 OG1 THR A 43 22.075 -8.353 -36.284 1.00 10.31 O ATOM 660 CG2 THR A 43 22.272 -9.507 -34.172 1.00 13.42 C ATOM 0 H THR A 43 23.212 -7.222 -33.985 1.00 0.53 H new ATOM 0 HA THR A 43 24.988 -9.173 -34.818 1.00 73.02 H new ATOM 0 HB THR A 43 23.129 -10.115 -36.030 1.00 54.24 H new ATOM 0 HG1 THR A 43 22.029 -7.459 -35.886 1.00 10.31 H new ATOM 0 HG21 THR A 43 21.321 -10.007 -34.356 1.00 13.42 H new ATOM 0 HG22 THR A 43 22.920 -10.162 -33.589 1.00 13.42 H new ATOM 0 HG23 THR A 43 22.096 -8.585 -33.618 1.00 13.42 H new ATOM 668 N ASP A 44 25.281 -8.975 -37.429 1.00 61.34 N ATOM 669 CA ASP A 44 25.831 -8.672 -38.746 1.00 20.24 C ATOM 670 C ASP A 44 24.716 -8.429 -39.758 1.00 32.33 C ATOM 671 O ASP A 44 24.907 -7.726 -40.750 1.00 62.31 O ATOM 672 CB ASP A 44 26.729 -9.815 -39.222 1.00 42.20 C ATOM 673 CG ASP A 44 27.740 -10.232 -38.173 1.00 25.54 C ATOM 674 OD1 ASP A 44 28.845 -9.650 -38.148 1.00 73.14 O ATOM 675 OD2 ASP A 44 27.428 -11.142 -37.376 1.00 20.40 O ATOM 0 H ASP A 44 25.269 -9.968 -37.195 1.00 61.34 H new ATOM 0 HA ASP A 44 26.426 -7.763 -38.664 1.00 20.24 H new ATOM 0 HB2 ASP A 44 26.111 -10.672 -39.488 1.00 42.20 H new ATOM 0 HB3 ASP A 44 27.254 -9.508 -40.127 1.00 42.20 H new ATOM 680 N ARG A 45 23.552 -9.016 -39.500 1.00 73.52 N ATOM 681 CA ARG A 45 22.407 -8.866 -40.390 1.00 14.31 C ATOM 682 C ARG A 45 22.128 -7.392 -40.673 1.00 21.44 C ATOM 683 O ARG A 45 22.094 -6.967 -41.826 1.00 43.34 O ATOM 684 CB ARG A 45 21.168 -9.522 -39.777 1.00 52.41 C ATOM 685 CG ARG A 45 21.116 -11.028 -39.973 1.00 5.03 C ATOM 686 CD ARG A 45 20.838 -11.392 -41.423 1.00 24.33 C ATOM 687 NE ARG A 45 20.224 -12.711 -41.547 1.00 61.45 N ATOM 688 CZ ARG A 45 20.021 -13.320 -42.710 1.00 73.34 C ATOM 689 NH1 ARG A 45 20.381 -12.732 -43.842 1.00 65.05 N ATOM 690 NH2 ARG A 45 19.456 -14.521 -42.742 1.00 51.43 N ATOM 0 H ARG A 45 23.377 -9.600 -38.682 1.00 73.52 H new ATOM 0 HA ARG A 45 22.643 -9.361 -41.332 1.00 14.31 H new ATOM 0 HB2 ARG A 45 21.141 -9.302 -38.710 1.00 52.41 H new ATOM 0 HB3 ARG A 45 20.276 -9.076 -40.217 1.00 52.41 H new ATOM 0 HG2 ARG A 45 22.063 -11.469 -39.661 1.00 5.03 H new ATOM 0 HG3 ARG A 45 20.341 -11.452 -39.335 1.00 5.03 H new ATOM 0 HD2 ARG A 45 20.181 -10.643 -41.865 1.00 24.33 H new ATOM 0 HD3 ARG A 45 21.770 -11.371 -41.987 1.00 24.33 H new ATOM 0 HE ARG A 45 19.935 -13.191 -40.694 1.00 61.45 H new ATOM 0 HH11 ARG A 45 20.815 -11.809 -43.822 1.00 65.05 H new ATOM 0 HH12 ARG A 45 20.224 -13.202 -44.733 1.00 65.05 H new ATOM 0 HH21 ARG A 45 19.177 -14.977 -41.873 1.00 51.43 H new ATOM 0 HH22 ARG A 45 19.301 -14.988 -43.635 1.00 51.43 H new ATOM 704 N GLY A 46 21.928 -6.618 -39.610 1.00 24.40 N ATOM 705 CA GLY A 46 21.655 -5.202 -39.765 1.00 54.30 C ATOM 706 C GLY A 46 20.715 -4.673 -38.700 1.00 11.23 C ATOM 707 O GLY A 46 19.835 -3.859 -38.985 1.00 22.45 O ATOM 0 H GLY A 46 21.950 -6.947 -38.645 1.00 24.40 H new ATOM 0 HA2 GLY A 46 22.593 -4.648 -39.725 1.00 54.30 H new ATOM 0 HA3 GLY A 46 21.221 -5.024 -40.749 1.00 54.30 H new ATOM 711 N THR A 47 20.899 -5.136 -37.467 1.00 71.33 N ATOM 712 CA THR A 47 20.059 -4.707 -36.356 1.00 61.31 C ATOM 713 C THR A 47 20.795 -4.841 -35.028 1.00 15.34 C ATOM 714 O THR A 47 21.909 -5.360 -34.973 1.00 44.01 O ATOM 715 CB THR A 47 18.754 -5.522 -36.291 1.00 74.23 C ATOM 716 OG1 THR A 47 19.032 -6.911 -36.499 1.00 63.35 O ATOM 717 CG2 THR A 47 17.760 -5.037 -37.336 1.00 43.03 C ATOM 0 H THR A 47 21.623 -5.808 -37.213 1.00 71.33 H new ATOM 0 HA THR A 47 19.815 -3.659 -36.530 1.00 61.31 H new ATOM 0 HB THR A 47 18.315 -5.384 -35.303 1.00 74.23 H new ATOM 0 HG1 THR A 47 18.208 -7.374 -36.759 1.00 63.35 H new ATOM 0 HG21 THR A 47 16.846 -5.628 -37.271 1.00 43.03 H new ATOM 0 HG22 THR A 47 17.527 -3.987 -37.157 1.00 43.03 H new ATOM 0 HG23 THR A 47 18.194 -5.148 -38.330 1.00 43.03 H new ATOM 725 N VAL A 48 20.163 -4.369 -33.957 1.00 23.30 N ATOM 726 CA VAL A 48 20.757 -4.438 -32.627 1.00 44.23 C ATOM 727 C VAL A 48 19.940 -5.336 -31.706 1.00 30.03 C ATOM 728 O VAL A 48 18.942 -4.905 -31.128 1.00 45.22 O ATOM 729 CB VAL A 48 20.874 -3.040 -31.992 1.00 2.50 C ATOM 730 CG1 VAL A 48 21.434 -3.139 -30.581 1.00 52.11 C ATOM 731 CG2 VAL A 48 21.739 -2.133 -32.855 1.00 22.31 C ATOM 0 H VAL A 48 19.240 -3.935 -33.985 1.00 23.30 H new ATOM 0 HA VAL A 48 21.755 -4.859 -32.747 1.00 44.23 H new ATOM 0 HB VAL A 48 19.877 -2.603 -31.932 1.00 2.50 H new ATOM 0 HG11 VAL A 48 21.509 -2.141 -30.149 1.00 52.11 H new ATOM 0 HG12 VAL A 48 20.771 -3.751 -29.969 1.00 52.11 H new ATOM 0 HG13 VAL A 48 22.423 -3.596 -30.613 1.00 52.11 H new ATOM 0 HG21 VAL A 48 21.811 -1.149 -32.391 1.00 22.31 H new ATOM 0 HG22 VAL A 48 22.736 -2.563 -32.949 1.00 22.31 H new ATOM 0 HG23 VAL A 48 21.291 -2.036 -33.844 1.00 22.31 H new ATOM 741 N GLN A 49 20.370 -6.586 -31.573 1.00 23.50 N ATOM 742 CA GLN A 49 19.677 -7.546 -30.721 1.00 45.11 C ATOM 743 C GLN A 49 19.646 -7.066 -29.274 1.00 3.31 C ATOM 744 O GLN A 49 20.613 -7.236 -28.532 1.00 34.32 O ATOM 745 CB GLN A 49 20.355 -8.915 -30.802 1.00 45.33 C ATOM 746 CG GLN A 49 19.806 -9.801 -31.909 1.00 3.05 C ATOM 747 CD GLN A 49 20.397 -11.197 -31.885 1.00 74.10 C ATOM 748 OE1 GLN A 49 19.678 -12.189 -32.009 1.00 63.53 O ATOM 749 NE2 GLN A 49 21.712 -11.281 -31.725 1.00 62.22 N ATOM 0 H GLN A 49 21.195 -6.958 -32.044 1.00 23.50 H new ATOM 0 HA GLN A 49 18.651 -7.635 -31.077 1.00 45.11 H new ATOM 0 HB2 GLN A 49 21.424 -8.773 -30.958 1.00 45.33 H new ATOM 0 HB3 GLN A 49 20.238 -9.426 -29.847 1.00 45.33 H new ATOM 0 HG2 GLN A 49 18.722 -9.867 -31.812 1.00 3.05 H new ATOM 0 HG3 GLN A 49 20.012 -9.340 -32.875 1.00 3.05 H new ATOM 0 HE21 GLN A 49 22.269 -10.432 -31.626 1.00 62.22 H new ATOM 0 HE22 GLN A 49 22.166 -12.194 -31.701 1.00 62.22 H new ATOM 758 N GLY A 50 18.529 -6.463 -28.879 1.00 75.50 N ATOM 759 CA GLY A 50 18.393 -5.967 -27.522 1.00 73.40 C ATOM 760 C GLY A 50 17.483 -6.835 -26.676 1.00 33.32 C ATOM 761 O GLY A 50 16.431 -7.280 -27.137 1.00 21.04 O ATOM 0 H GLY A 50 17.716 -6.309 -29.475 1.00 75.50 H new ATOM 0 HA2 GLY A 50 19.377 -5.916 -27.057 1.00 73.40 H new ATOM 0 HA3 GLY A 50 18.000 -4.951 -27.548 1.00 73.40 H new ATOM 765 N LYS A 51 17.887 -7.079 -25.434 1.00 23.11 N ATOM 766 CA LYS A 51 17.102 -7.900 -24.520 1.00 72.00 C ATOM 767 C LYS A 51 16.603 -7.074 -23.339 1.00 14.11 C ATOM 768 O LYS A 51 17.306 -6.192 -22.844 1.00 14.03 O ATOM 769 CB LYS A 51 17.937 -9.079 -24.015 1.00 12.11 C ATOM 770 CG LYS A 51 17.273 -9.858 -22.893 1.00 12.02 C ATOM 771 CD LYS A 51 15.991 -10.527 -23.361 1.00 0.43 C ATOM 772 CE LYS A 51 16.218 -11.993 -23.697 1.00 13.41 C ATOM 773 NZ LYS A 51 16.555 -12.793 -22.487 1.00 70.25 N ATOM 0 H LYS A 51 18.755 -6.719 -25.037 1.00 23.11 H new ATOM 0 HA LYS A 51 16.238 -8.282 -25.065 1.00 72.00 H new ATOM 0 HB2 LYS A 51 18.136 -9.755 -24.847 1.00 12.11 H new ATOM 0 HB3 LYS A 51 18.901 -8.708 -23.667 1.00 12.11 H new ATOM 0 HG2 LYS A 51 17.962 -10.614 -22.516 1.00 12.02 H new ATOM 0 HG3 LYS A 51 17.052 -9.186 -22.064 1.00 12.02 H new ATOM 0 HD2 LYS A 51 15.231 -10.444 -22.584 1.00 0.43 H new ATOM 0 HD3 LYS A 51 15.607 -10.007 -24.239 1.00 0.43 H new ATOM 0 HE2 LYS A 51 15.322 -12.401 -24.165 1.00 13.41 H new ATOM 0 HE3 LYS A 51 17.025 -12.078 -24.425 1.00 13.41 H new ATOM 0 HZ1 LYS A 51 16.129 -13.739 -22.566 1.00 70.25 H new ATOM 0 HZ2 LYS A 51 17.588 -12.884 -22.408 1.00 70.25 H new ATOM 0 HZ3 LYS A 51 16.183 -12.316 -21.641 1.00 70.25 H new ATOM 787 N LEU A 52 15.386 -7.366 -22.891 1.00 5.41 N ATOM 788 CA LEU A 52 14.794 -6.651 -21.766 1.00 54.50 C ATOM 789 C LEU A 52 14.387 -7.618 -20.659 1.00 5.01 C ATOM 790 O LEU A 52 13.269 -8.131 -20.650 1.00 13.51 O ATOM 791 CB LEU A 52 13.576 -5.849 -22.230 1.00 44.23 C ATOM 792 CG LEU A 52 13.849 -4.411 -22.674 1.00 62.22 C ATOM 793 CD1 LEU A 52 12.569 -3.752 -23.165 1.00 24.12 C ATOM 794 CD2 LEU A 52 14.462 -3.609 -21.536 1.00 10.43 C ATOM 0 H LEU A 52 14.791 -8.092 -23.290 1.00 5.41 H new ATOM 0 HA LEU A 52 15.543 -5.966 -21.368 1.00 54.50 H new ATOM 0 HB2 LEU A 52 13.109 -6.382 -23.059 1.00 44.23 H new ATOM 0 HB3 LEU A 52 12.850 -5.826 -21.417 1.00 44.23 H new ATOM 0 HG LEU A 52 14.561 -4.434 -23.499 1.00 62.22 H new ATOM 0 HD11 LEU A 52 12.783 -2.730 -23.477 1.00 24.12 H new ATOM 0 HD12 LEU A 52 12.172 -4.314 -24.011 1.00 24.12 H new ATOM 0 HD13 LEU A 52 11.834 -3.740 -22.360 1.00 24.12 H new ATOM 0 HD21 LEU A 52 14.650 -2.588 -21.870 1.00 10.43 H new ATOM 0 HD22 LEU A 52 13.775 -3.594 -20.690 1.00 10.43 H new ATOM 0 HD23 LEU A 52 15.402 -4.070 -21.231 1.00 10.43 H new ATOM 806 N GLN A 53 15.303 -7.861 -19.727 1.00 3.32 N ATOM 807 CA GLN A 53 15.039 -8.765 -18.614 1.00 61.42 C ATOM 808 C GLN A 53 14.670 -7.987 -17.356 1.00 34.23 C ATOM 809 O GLN A 53 15.360 -7.044 -16.972 1.00 20.23 O ATOM 810 CB GLN A 53 16.261 -9.645 -18.344 1.00 34.42 C ATOM 811 CG GLN A 53 16.298 -10.910 -19.187 1.00 1.03 C ATOM 812 CD GLN A 53 15.681 -12.101 -18.480 1.00 55.33 C ATOM 813 OE1 GLN A 53 14.789 -11.948 -17.645 1.00 0.32 O ATOM 814 NE2 GLN A 53 16.152 -13.297 -18.813 1.00 2.42 N ATOM 0 H GLN A 53 16.234 -7.445 -19.721 1.00 3.32 H new ATOM 0 HA GLN A 53 14.196 -9.400 -18.886 1.00 61.42 H new ATOM 0 HB2 GLN A 53 17.165 -9.066 -18.533 1.00 34.42 H new ATOM 0 HB3 GLN A 53 16.274 -9.921 -17.289 1.00 34.42 H new ATOM 0 HG2 GLN A 53 15.768 -10.734 -20.123 1.00 1.03 H new ATOM 0 HG3 GLN A 53 17.332 -11.141 -19.444 1.00 1.03 H new ATOM 0 HE21 GLN A 53 16.892 -13.378 -19.510 1.00 2.42 H new ATOM 0 HE22 GLN A 53 15.774 -14.135 -18.372 1.00 2.42 H new ATOM 823 N GLY A 54 13.575 -8.389 -16.717 1.00 74.12 N ATOM 824 CA GLY A 54 13.132 -7.718 -15.509 1.00 21.21 C ATOM 825 C GLY A 54 11.622 -7.610 -15.426 1.00 5.15 C ATOM 826 O GLY A 54 10.891 -8.234 -16.194 1.00 34.21 O ATOM 0 H GLY A 54 12.987 -9.168 -17.015 1.00 74.12 H new ATOM 0 HA2 GLY A 54 13.503 -8.260 -14.639 1.00 21.21 H new ATOM 0 HA3 GLY A 54 13.567 -6.719 -15.471 1.00 21.21 H new ATOM 830 N PRO A 55 11.135 -6.802 -14.472 1.00 70.12 N ATOM 831 CA PRO A 55 9.698 -6.596 -14.268 1.00 20.33 C ATOM 832 C PRO A 55 9.059 -5.804 -15.403 1.00 75.41 C ATOM 833 O PRO A 55 9.623 -4.819 -15.879 1.00 54.14 O ATOM 834 CB PRO A 55 9.636 -5.802 -12.961 1.00 20.04 C ATOM 835 CG PRO A 55 10.950 -5.105 -12.878 1.00 41.02 C ATOM 836 CD PRO A 55 11.949 -6.027 -13.521 1.00 30.11 C ATOM 0 HA PRO A 55 9.151 -7.539 -14.237 1.00 20.33 H new ATOM 0 HB2 PRO A 55 8.810 -5.090 -12.969 1.00 20.04 H new ATOM 0 HB3 PRO A 55 9.482 -6.459 -12.105 1.00 20.04 H new ATOM 0 HG2 PRO A 55 10.916 -4.145 -13.394 1.00 41.02 H new ATOM 0 HG3 PRO A 55 11.218 -4.900 -11.842 1.00 41.02 H new ATOM 0 HD2 PRO A 55 12.740 -5.473 -14.027 1.00 30.11 H new ATOM 0 HD3 PRO A 55 12.432 -6.672 -12.787 1.00 30.11 H new ATOM 844 N ILE A 56 7.879 -6.241 -15.832 1.00 0.04 N ATOM 845 CA ILE A 56 7.163 -5.571 -16.910 1.00 71.10 C ATOM 846 C ILE A 56 6.855 -4.122 -16.549 1.00 4.13 C ATOM 847 O ILE A 56 6.773 -3.258 -17.422 1.00 14.14 O ATOM 848 CB ILE A 56 5.846 -6.295 -17.246 1.00 72.20 C ATOM 849 CG1 ILE A 56 6.123 -7.746 -17.646 1.00 4.23 C ATOM 850 CG2 ILE A 56 5.109 -5.565 -18.359 1.00 61.11 C ATOM 851 CD1 ILE A 56 4.904 -8.638 -17.569 1.00 1.35 C ATOM 0 H ILE A 56 7.399 -7.056 -15.449 1.00 0.04 H new ATOM 0 HA ILE A 56 7.815 -5.595 -17.783 1.00 71.10 H new ATOM 0 HB ILE A 56 5.214 -6.297 -16.358 1.00 72.20 H new ATOM 0 HG12 ILE A 56 6.514 -7.765 -18.663 1.00 4.23 H new ATOM 0 HG13 ILE A 56 6.901 -8.151 -16.998 1.00 4.23 H new ATOM 0 HG21 ILE A 56 4.180 -6.089 -18.585 1.00 61.11 H new ATOM 0 HG22 ILE A 56 4.883 -4.548 -18.040 1.00 61.11 H new ATOM 0 HG23 ILE A 56 5.735 -5.535 -19.251 1.00 61.11 H new ATOM 0 HD11 ILE A 56 5.175 -9.651 -17.866 1.00 1.35 H new ATOM 0 HD12 ILE A 56 4.525 -8.649 -16.547 1.00 1.35 H new ATOM 0 HD13 ILE A 56 4.132 -8.258 -18.238 1.00 1.35 H new ATOM 863 N SER A 57 6.689 -3.863 -15.256 1.00 12.43 N ATOM 864 CA SER A 57 6.389 -2.518 -14.778 1.00 54.12 C ATOM 865 C SER A 57 7.395 -1.510 -15.325 1.00 30.00 C ATOM 866 O SER A 57 7.071 -0.340 -15.530 1.00 4.25 O ATOM 867 CB SER A 57 6.395 -2.484 -13.249 1.00 10.33 C ATOM 868 OG SER A 57 5.858 -1.265 -12.764 1.00 31.44 O ATOM 0 H SER A 57 6.757 -4.567 -14.521 1.00 12.43 H new ATOM 0 HA SER A 57 5.396 -2.245 -15.136 1.00 54.12 H new ATOM 0 HB2 SER A 57 5.814 -3.321 -12.861 1.00 10.33 H new ATOM 0 HB3 SER A 57 7.414 -2.607 -12.883 1.00 10.33 H new ATOM 0 HG SER A 57 5.871 -1.269 -11.784 1.00 31.44 H new ATOM 874 N LYS A 58 8.618 -1.973 -15.560 1.00 2.22 N ATOM 875 CA LYS A 58 9.674 -1.115 -16.084 1.00 11.40 C ATOM 876 C LYS A 58 9.840 -1.313 -17.587 1.00 40.32 C ATOM 877 O LYS A 58 10.169 -0.375 -18.314 1.00 60.45 O ATOM 878 CB LYS A 58 10.997 -1.405 -15.371 1.00 73.23 C ATOM 879 CG LYS A 58 11.229 -0.541 -14.144 1.00 32.22 C ATOM 880 CD LYS A 58 10.230 -0.856 -13.043 1.00 72.21 C ATOM 881 CE LYS A 58 10.786 -0.511 -11.670 1.00 61.31 C ATOM 882 NZ LYS A 58 10.134 -1.305 -10.592 1.00 71.11 N ATOM 0 H LYS A 58 8.903 -2.939 -15.396 1.00 2.22 H new ATOM 0 HA LYS A 58 9.390 -0.079 -15.901 1.00 11.40 H new ATOM 0 HB2 LYS A 58 11.018 -2.454 -15.076 1.00 73.23 H new ATOM 0 HB3 LYS A 58 11.818 -1.254 -16.072 1.00 73.23 H new ATOM 0 HG2 LYS A 58 12.242 -0.698 -13.773 1.00 32.22 H new ATOM 0 HG3 LYS A 58 11.150 0.511 -14.418 1.00 32.22 H new ATOM 0 HD2 LYS A 58 9.310 -0.298 -13.215 1.00 72.21 H new ATOM 0 HD3 LYS A 58 9.972 -1.914 -13.077 1.00 72.21 H new ATOM 0 HE2 LYS A 58 11.860 -0.694 -11.657 1.00 61.31 H new ATOM 0 HE3 LYS A 58 10.641 0.552 -11.476 1.00 61.31 H new ATOM 0 HZ1 LYS A 58 10.540 -1.041 -9.672 1.00 71.11 H new ATOM 0 HZ2 LYS A 58 9.112 -1.111 -10.588 1.00 71.11 H new ATOM 0 HZ3 LYS A 58 10.293 -2.318 -10.763 1.00 71.11 H new ATOM 896 N VAL A 59 9.609 -2.538 -18.047 1.00 71.32 N ATOM 897 CA VAL A 59 9.730 -2.859 -19.464 1.00 45.54 C ATOM 898 C VAL A 59 8.718 -2.076 -20.293 1.00 44.24 C ATOM 899 O VAL A 59 8.951 -1.791 -21.468 1.00 74.45 O ATOM 900 CB VAL A 59 9.531 -4.364 -19.719 1.00 31.43 C ATOM 901 CG1 VAL A 59 9.637 -4.674 -21.204 1.00 52.01 C ATOM 902 CG2 VAL A 59 10.541 -5.177 -18.923 1.00 21.20 C ATOM 0 H VAL A 59 9.337 -3.325 -17.458 1.00 71.32 H new ATOM 0 HA VAL A 59 10.739 -2.578 -19.766 1.00 45.54 H new ATOM 0 HB VAL A 59 8.531 -4.642 -19.386 1.00 31.43 H new ATOM 0 HG11 VAL A 59 9.494 -5.743 -21.364 1.00 52.01 H new ATOM 0 HG12 VAL A 59 8.871 -4.120 -21.747 1.00 52.01 H new ATOM 0 HG13 VAL A 59 10.622 -4.382 -21.567 1.00 52.01 H new ATOM 0 HG21 VAL A 59 10.386 -6.239 -19.115 1.00 21.20 H new ATOM 0 HG22 VAL A 59 11.551 -4.898 -19.223 1.00 21.20 H new ATOM 0 HG23 VAL A 59 10.411 -4.978 -17.859 1.00 21.20 H new ATOM 912 N ARG A 60 7.595 -1.730 -19.673 1.00 50.23 N ATOM 913 CA ARG A 60 6.546 -0.980 -20.354 1.00 63.02 C ATOM 914 C ARG A 60 7.072 0.365 -20.846 1.00 52.42 C ATOM 915 O ARG A 60 6.556 0.928 -21.812 1.00 23.24 O ATOM 916 CB ARG A 60 5.355 -0.763 -19.419 1.00 24.33 C ATOM 917 CG ARG A 60 4.536 -2.020 -19.175 1.00 0.14 C ATOM 918 CD ARG A 60 3.445 -2.185 -20.221 1.00 32.33 C ATOM 919 NE ARG A 60 2.304 -1.311 -19.964 1.00 52.55 N ATOM 920 CZ ARG A 60 1.348 -1.588 -19.085 1.00 32.10 C ATOM 921 NH1 ARG A 60 1.396 -2.711 -18.381 1.00 12.51 N ATOM 922 NH2 ARG A 60 0.341 -0.742 -18.908 1.00 3.31 N ATOM 0 H ARG A 60 7.388 -1.957 -18.700 1.00 50.23 H new ATOM 0 HA ARG A 60 6.220 -1.561 -21.217 1.00 63.02 H new ATOM 0 HB2 ARG A 60 5.718 -0.385 -18.463 1.00 24.33 H new ATOM 0 HB3 ARG A 60 4.708 0.006 -19.841 1.00 24.33 H new ATOM 0 HG2 ARG A 60 5.191 -2.891 -19.190 1.00 0.14 H new ATOM 0 HG3 ARG A 60 4.087 -1.976 -18.183 1.00 0.14 H new ATOM 0 HD2 ARG A 60 3.853 -1.967 -21.208 1.00 32.33 H new ATOM 0 HD3 ARG A 60 3.111 -3.222 -20.236 1.00 32.33 H new ATOM 0 HE ARG A 60 2.238 -0.439 -20.489 1.00 52.55 H new ATOM 0 HH11 ARG A 60 2.168 -3.364 -18.514 1.00 12.51 H new ATOM 0 HH12 ARG A 60 0.661 -2.922 -17.706 1.00 12.51 H new ATOM 0 HH21 ARG A 60 0.300 0.123 -19.448 1.00 3.31 H new ATOM 0 HH22 ARG A 60 -0.392 -0.956 -18.232 1.00 3.31 H new ATOM 936 N GLU A 61 8.100 0.875 -20.175 1.00 31.22 N ATOM 937 CA GLU A 61 8.693 2.155 -20.544 1.00 25.45 C ATOM 938 C GLU A 61 9.894 1.953 -21.464 1.00 32.40 C ATOM 939 O GLU A 61 10.173 2.783 -22.328 1.00 4.32 O ATOM 940 CB GLU A 61 9.121 2.924 -19.292 1.00 33.55 C ATOM 941 CG GLU A 61 7.996 3.131 -18.291 1.00 60.41 C ATOM 942 CD GLU A 61 7.127 4.326 -18.630 1.00 10.35 C ATOM 943 OE1 GLU A 61 7.673 5.334 -19.126 1.00 72.01 O ATOM 944 OE2 GLU A 61 5.902 4.255 -18.398 1.00 21.30 O ATOM 0 H GLU A 61 8.539 0.422 -19.374 1.00 31.22 H new ATOM 0 HA GLU A 61 7.940 2.734 -21.078 1.00 25.45 H new ATOM 0 HB2 GLU A 61 9.935 2.386 -18.806 1.00 33.55 H new ATOM 0 HB3 GLU A 61 9.515 3.896 -19.590 1.00 33.55 H new ATOM 0 HG2 GLU A 61 7.377 2.235 -18.255 1.00 60.41 H new ATOM 0 HG3 GLU A 61 8.420 3.265 -17.296 1.00 60.41 H new ATOM 951 N MET A 62 10.600 0.843 -21.271 1.00 54.13 N ATOM 952 CA MET A 62 11.769 0.531 -22.084 1.00 44.22 C ATOM 953 C MET A 62 11.391 0.405 -23.556 1.00 75.04 C ATOM 954 O MET A 62 12.113 0.876 -24.434 1.00 61.43 O ATOM 955 CB MET A 62 12.422 -0.765 -21.601 1.00 22.15 C ATOM 956 CG MET A 62 13.484 -0.550 -20.534 1.00 13.20 C ATOM 957 SD MET A 62 14.949 0.285 -21.171 1.00 63.02 S ATOM 958 CE MET A 62 14.668 1.955 -20.588 1.00 51.14 C ATOM 0 H MET A 62 10.383 0.146 -20.559 1.00 54.13 H new ATOM 0 HA MET A 62 12.481 1.350 -21.979 1.00 44.22 H new ATOM 0 HB2 MET A 62 11.650 -1.426 -21.206 1.00 22.15 H new ATOM 0 HB3 MET A 62 12.872 -1.275 -22.453 1.00 22.15 H new ATOM 0 HG2 MET A 62 13.061 0.038 -19.719 1.00 13.20 H new ATOM 0 HG3 MET A 62 13.773 -1.514 -20.115 1.00 13.20 H new ATOM 0 HE1 MET A 62 14.913 2.663 -21.380 1.00 51.14 H new ATOM 0 HE2 MET A 62 13.621 2.071 -20.308 1.00 51.14 H new ATOM 0 HE3 MET A 62 15.299 2.149 -19.721 1.00 51.14 H new ATOM 968 N GLN A 63 10.254 -0.233 -23.818 1.00 23.12 N ATOM 969 CA GLN A 63 9.781 -0.421 -25.184 1.00 63.31 C ATOM 970 C GLN A 63 9.750 0.905 -25.937 1.00 64.30 C ATOM 971 O GLN A 63 9.925 0.944 -27.155 1.00 63.31 O ATOM 972 CB GLN A 63 8.388 -1.053 -25.182 1.00 0.44 C ATOM 973 CG GLN A 63 7.392 -0.325 -24.293 1.00 22.34 C ATOM 974 CD GLN A 63 5.960 -0.496 -24.759 1.00 70.31 C ATOM 975 OE1 GLN A 63 5.668 -0.405 -25.952 1.00 23.10 O ATOM 976 NE2 GLN A 63 5.057 -0.746 -23.819 1.00 35.24 N ATOM 0 H GLN A 63 9.644 -0.628 -23.102 1.00 23.12 H new ATOM 0 HA GLN A 63 10.475 -1.090 -25.693 1.00 63.31 H new ATOM 0 HB2 GLN A 63 8.005 -1.073 -26.202 1.00 0.44 H new ATOM 0 HB3 GLN A 63 8.468 -2.089 -24.852 1.00 0.44 H new ATOM 0 HG2 GLN A 63 7.484 -0.695 -23.272 1.00 22.34 H new ATOM 0 HG3 GLN A 63 7.639 0.737 -24.271 1.00 22.34 H new ATOM 0 HE21 GLN A 63 5.343 -0.813 -22.842 1.00 35.24 H new ATOM 0 HE22 GLN A 63 4.077 -0.871 -24.073 1.00 35.24 H new ATOM 985 N LYS A 64 9.526 1.990 -25.204 1.00 42.23 N ATOM 986 CA LYS A 64 9.473 3.319 -25.801 1.00 51.35 C ATOM 987 C LYS A 64 10.866 3.934 -25.885 1.00 42.44 C ATOM 988 O LYS A 64 11.155 4.720 -26.788 1.00 75.24 O ATOM 989 CB LYS A 64 8.550 4.230 -24.988 1.00 61.30 C ATOM 990 CG LYS A 64 7.137 4.313 -25.539 1.00 63.34 C ATOM 991 CD LYS A 64 6.425 2.973 -25.452 1.00 11.43 C ATOM 992 CE LYS A 64 4.956 3.098 -25.824 1.00 55.13 C ATOM 993 NZ LYS A 64 4.093 2.230 -24.976 1.00 14.21 N ATOM 0 H LYS A 64 9.378 1.975 -24.195 1.00 42.23 H new ATOM 0 HA LYS A 64 9.077 3.220 -26.812 1.00 51.35 H new ATOM 0 HB2 LYS A 64 8.510 3.868 -23.961 1.00 61.30 H new ATOM 0 HB3 LYS A 64 8.978 5.232 -24.957 1.00 61.30 H new ATOM 0 HG2 LYS A 64 6.573 5.063 -24.984 1.00 63.34 H new ATOM 0 HG3 LYS A 64 7.169 4.642 -26.578 1.00 63.34 H new ATOM 0 HD2 LYS A 64 6.910 2.258 -26.116 1.00 11.43 H new ATOM 0 HD3 LYS A 64 6.513 2.578 -24.440 1.00 11.43 H new ATOM 0 HE2 LYS A 64 4.642 4.136 -25.718 1.00 55.13 H new ATOM 0 HE3 LYS A 64 4.823 2.830 -26.872 1.00 55.13 H new ATOM 0 HZ1 LYS A 64 3.140 2.641 -24.915 1.00 14.21 H new ATOM 0 HZ2 LYS A 64 4.034 1.281 -25.397 1.00 14.21 H new ATOM 0 HZ3 LYS A 64 4.501 2.161 -24.022 1.00 14.21 H new ATOM 1007 N TRP A 65 11.726 3.571 -24.941 1.00 12.35 N ATOM 1008 CA TRP A 65 13.090 4.087 -24.909 1.00 72.03 C ATOM 1009 C TRP A 65 13.947 3.424 -25.981 1.00 62.35 C ATOM 1010 O TRP A 65 14.931 4.000 -26.449 1.00 34.15 O ATOM 1011 CB TRP A 65 13.711 3.861 -23.530 1.00 31.00 C ATOM 1012 CG TRP A 65 13.338 4.914 -22.531 1.00 4.31 C ATOM 1013 CD1 TRP A 65 12.462 4.785 -21.492 1.00 34.11 C ATOM 1014 CD2 TRP A 65 13.831 6.258 -22.478 1.00 75.33 C ATOM 1015 NE1 TRP A 65 12.379 5.967 -20.796 1.00 40.14 N ATOM 1016 CE2 TRP A 65 13.210 6.886 -21.381 1.00 12.11 C ATOM 1017 CE3 TRP A 65 14.736 6.990 -23.250 1.00 5.43 C ATOM 1018 CZ2 TRP A 65 13.466 8.211 -21.039 1.00 44.23 C ATOM 1019 CZ3 TRP A 65 14.990 8.306 -22.910 1.00 31.44 C ATOM 1020 CH2 TRP A 65 14.358 8.905 -21.812 1.00 74.11 C ATOM 0 H TRP A 65 11.503 2.921 -24.187 1.00 12.35 H new ATOM 0 HA TRP A 65 13.052 5.157 -25.111 1.00 72.03 H new ATOM 0 HB2 TRP A 65 13.399 2.887 -23.154 1.00 31.00 H new ATOM 0 HB3 TRP A 65 14.796 3.832 -23.628 1.00 31.00 H new ATOM 0 HD1 TRP A 65 11.914 3.886 -21.252 1.00 34.11 H new ATOM 0 HE1 TRP A 65 11.794 6.133 -19.977 1.00 40.14 H new ATOM 0 HE3 TRP A 65 15.229 6.536 -24.097 1.00 5.43 H new ATOM 0 HZ2 TRP A 65 12.979 8.675 -20.194 1.00 44.23 H new ATOM 0 HZ3 TRP A 65 15.687 8.882 -23.501 1.00 31.44 H new ATOM 0 HH2 TRP A 65 14.579 9.934 -21.571 1.00 74.11 H new ATOM 1031 N LEU A 66 13.569 2.210 -26.368 1.00 43.31 N ATOM 1032 CA LEU A 66 14.304 1.468 -27.387 1.00 2.34 C ATOM 1033 C LEU A 66 13.554 1.477 -28.715 1.00 12.24 C ATOM 1034 O LEU A 66 13.828 0.666 -29.598 1.00 44.44 O ATOM 1035 CB LEU A 66 14.536 0.027 -26.928 1.00 52.34 C ATOM 1036 CG LEU A 66 15.904 -0.270 -26.313 1.00 13.41 C ATOM 1037 CD1 LEU A 66 15.849 -1.539 -25.477 1.00 13.44 C ATOM 1038 CD2 LEU A 66 16.963 -0.390 -27.399 1.00 75.13 C ATOM 0 H LEU A 66 12.758 1.719 -25.992 1.00 43.31 H new ATOM 0 HA LEU A 66 15.268 1.956 -27.533 1.00 2.34 H new ATOM 0 HB2 LEU A 66 13.768 -0.228 -26.197 1.00 52.34 H new ATOM 0 HB3 LEU A 66 14.394 -0.633 -27.784 1.00 52.34 H new ATOM 0 HG LEU A 66 16.175 0.560 -25.660 1.00 13.41 H new ATOM 0 HD11 LEU A 66 16.831 -1.734 -25.047 1.00 13.44 H new ATOM 0 HD12 LEU A 66 15.121 -1.416 -24.676 1.00 13.44 H new ATOM 0 HD13 LEU A 66 15.556 -2.378 -26.108 1.00 13.44 H new ATOM 0 HD21 LEU A 66 17.930 -0.601 -26.943 1.00 75.13 H new ATOM 0 HD22 LEU A 66 16.697 -1.200 -28.078 1.00 75.13 H new ATOM 0 HD23 LEU A 66 17.021 0.546 -27.955 1.00 75.13 H new ATOM 1050 N GLU A 67 12.607 2.401 -28.847 1.00 42.14 N ATOM 1051 CA GLU A 67 11.819 2.516 -30.069 1.00 33.24 C ATOM 1052 C GLU A 67 11.977 3.900 -30.690 1.00 54.42 C ATOM 1053 O GLU A 67 12.233 4.031 -31.888 1.00 0.24 O ATOM 1054 CB GLU A 67 10.342 2.241 -29.776 1.00 40.42 C ATOM 1055 CG GLU A 67 9.423 2.547 -30.947 1.00 12.12 C ATOM 1056 CD GLU A 67 8.293 1.545 -31.078 1.00 75.23 C ATOM 1057 OE1 GLU A 67 7.717 1.160 -30.040 1.00 34.54 O ATOM 1058 OE2 GLU A 67 7.984 1.146 -32.221 1.00 21.10 O ATOM 0 H GLU A 67 12.367 3.080 -28.124 1.00 42.14 H new ATOM 0 HA GLU A 67 12.186 1.775 -30.779 1.00 33.24 H new ATOM 0 HB2 GLU A 67 10.224 1.194 -29.496 1.00 40.42 H new ATOM 0 HB3 GLU A 67 10.033 2.837 -28.917 1.00 40.42 H new ATOM 0 HG2 GLU A 67 9.005 3.546 -30.825 1.00 12.12 H new ATOM 0 HG3 GLU A 67 10.005 2.555 -31.869 1.00 12.12 H new ATOM 1065 N THR A 68 11.821 4.933 -29.868 1.00 1.34 N ATOM 1066 CA THR A 68 11.944 6.308 -30.335 1.00 43.13 C ATOM 1067 C THR A 68 13.204 6.965 -29.784 1.00 44.43 C ATOM 1068 O THR A 68 13.736 7.905 -30.377 1.00 34.13 O ATOM 1069 CB THR A 68 10.720 7.151 -29.930 1.00 42.04 C ATOM 1070 OG1 THR A 68 10.964 8.534 -30.209 1.00 3.34 O ATOM 1071 CG2 THR A 68 10.406 6.974 -28.453 1.00 31.44 C ATOM 0 H THR A 68 11.609 4.843 -28.874 1.00 1.34 H new ATOM 0 HA THR A 68 12.004 6.268 -31.423 1.00 43.13 H new ATOM 0 HB THR A 68 9.863 6.809 -30.510 1.00 42.04 H new ATOM 0 HG1 THR A 68 10.181 9.063 -29.950 1.00 3.34 H new ATOM 0 HG21 THR A 68 9.538 7.579 -28.191 1.00 31.44 H new ATOM 0 HG22 THR A 68 10.192 5.925 -28.250 1.00 31.44 H new ATOM 0 HG23 THR A 68 11.263 7.291 -27.858 1.00 31.44 H new ATOM 1079 N ARG A 69 13.679 6.465 -28.648 1.00 14.51 N ATOM 1080 CA ARG A 69 14.877 7.005 -28.017 1.00 11.21 C ATOM 1081 C ARG A 69 16.059 6.057 -28.195 1.00 43.23 C ATOM 1082 O ARG A 69 15.904 4.941 -28.688 1.00 61.15 O ATOM 1083 CB ARG A 69 14.628 7.252 -26.528 1.00 11.41 C ATOM 1084 CG ARG A 69 13.495 8.228 -26.254 1.00 3.34 C ATOM 1085 CD ARG A 69 14.001 9.660 -26.170 1.00 64.21 C ATOM 1086 NE ARG A 69 12.929 10.632 -26.366 1.00 62.21 N ATOM 1087 CZ ARG A 69 13.138 11.894 -26.724 1.00 33.11 C ATOM 1088 NH1 ARG A 69 14.372 12.334 -26.924 1.00 41.32 N ATOM 1089 NH2 ARG A 69 12.110 12.718 -26.883 1.00 1.24 N ATOM 0 H ARG A 69 13.252 5.687 -28.146 1.00 14.51 H new ATOM 0 HA ARG A 69 15.116 7.952 -28.500 1.00 11.21 H new ATOM 0 HB2 ARG A 69 14.403 6.302 -26.043 1.00 11.41 H new ATOM 0 HB3 ARG A 69 15.543 7.633 -26.074 1.00 11.41 H new ATOM 0 HG2 ARG A 69 12.748 8.151 -27.044 1.00 3.34 H new ATOM 0 HG3 ARG A 69 13.001 7.960 -25.320 1.00 3.34 H new ATOM 0 HD2 ARG A 69 14.465 9.824 -25.198 1.00 64.21 H new ATOM 0 HD3 ARG A 69 14.774 9.816 -26.923 1.00 64.21 H new ATOM 0 HE ARG A 69 11.967 10.325 -26.220 1.00 62.21 H new ATOM 0 HH11 ARG A 69 15.164 11.703 -26.803 1.00 41.32 H new ATOM 0 HH12 ARG A 69 14.529 13.304 -27.199 1.00 41.32 H new ATOM 0 HH21 ARG A 69 11.159 12.382 -26.730 1.00 1.24 H new ATOM 0 HH22 ARG A 69 12.271 13.687 -27.158 1.00 1.24 H new ATOM 1103 N GLY A 70 17.242 6.511 -27.791 1.00 13.24 N ATOM 1104 CA GLY A 70 18.433 5.692 -27.915 1.00 30.33 C ATOM 1105 C GLY A 70 19.709 6.500 -27.788 1.00 52.40 C ATOM 1106 O GLY A 70 20.310 6.560 -26.715 1.00 52.35 O ATOM 0 H GLY A 70 17.396 7.432 -27.380 1.00 13.24 H new ATOM 0 HA2 GLY A 70 18.419 4.918 -27.148 1.00 30.33 H new ATOM 0 HA3 GLY A 70 18.422 5.185 -28.880 1.00 30.33 H new ATOM 1110 N SER A 71 20.124 7.123 -28.886 1.00 44.13 N ATOM 1111 CA SER A 71 21.341 7.928 -28.895 1.00 35.30 C ATOM 1112 C SER A 71 21.280 8.992 -29.986 1.00 52.22 C ATOM 1113 O SER A 71 20.503 8.899 -30.937 1.00 42.41 O ATOM 1114 CB SER A 71 22.566 7.036 -29.104 1.00 71.02 C ATOM 1115 OG SER A 71 22.232 5.876 -29.847 1.00 13.13 O ATOM 0 H SER A 71 19.636 7.086 -29.781 1.00 44.13 H new ATOM 0 HA SER A 71 21.425 8.427 -27.930 1.00 35.30 H new ATOM 0 HB2 SER A 71 23.342 7.595 -29.627 1.00 71.02 H new ATOM 0 HB3 SER A 71 22.978 6.746 -28.137 1.00 71.02 H new ATOM 0 HG SER A 71 22.949 5.678 -30.485 1.00 13.13 H new ATOM 1121 N PRO A 72 22.119 10.029 -29.847 1.00 50.33 N ATOM 1122 CA PRO A 72 22.181 11.132 -30.811 1.00 62.13 C ATOM 1123 C PRO A 72 22.778 10.701 -32.147 1.00 2.53 C ATOM 1124 O PRO A 72 22.568 11.353 -33.169 1.00 43.21 O ATOM 1125 CB PRO A 72 23.090 12.153 -30.124 1.00 3.55 C ATOM 1126 CG PRO A 72 23.936 11.347 -29.199 1.00 74.35 C ATOM 1127 CD PRO A 72 23.072 10.205 -28.739 1.00 2.02 C ATOM 0 HA PRO A 72 21.191 11.518 -31.053 1.00 62.13 H new ATOM 0 HB2 PRO A 72 23.700 12.692 -30.850 1.00 3.55 H new ATOM 0 HB3 PRO A 72 22.509 12.898 -29.581 1.00 3.55 H new ATOM 0 HG2 PRO A 72 24.829 10.981 -29.705 1.00 74.35 H new ATOM 0 HG3 PRO A 72 24.272 11.948 -28.354 1.00 74.35 H new ATOM 0 HD2 PRO A 72 23.658 9.302 -28.566 1.00 2.02 H new ATOM 0 HD3 PRO A 72 22.562 10.438 -27.804 1.00 2.02 H new ATOM 1135 N GLU A 73 23.522 9.600 -32.130 1.00 5.14 N ATOM 1136 CA GLU A 73 24.150 9.084 -33.341 1.00 32.15 C ATOM 1137 C GLU A 73 23.219 8.115 -34.065 1.00 2.41 C ATOM 1138 O GLU A 73 22.878 8.320 -35.230 1.00 31.22 O ATOM 1139 CB GLU A 73 25.467 8.384 -33.001 1.00 4.45 C ATOM 1140 CG GLU A 73 26.471 8.389 -34.141 1.00 42.42 C ATOM 1141 CD GLU A 73 27.044 9.768 -34.408 1.00 22.31 C ATOM 1142 OE1 GLU A 73 26.527 10.748 -33.833 1.00 33.45 O ATOM 1143 OE2 GLU A 73 28.011 9.866 -35.193 1.00 30.14 O ATOM 0 H GLU A 73 23.705 9.048 -31.292 1.00 5.14 H new ATOM 0 HA GLU A 73 24.355 9.927 -34.001 1.00 32.15 H new ATOM 0 HB2 GLU A 73 25.913 8.869 -32.133 1.00 4.45 H new ATOM 0 HB3 GLU A 73 25.258 7.353 -32.717 1.00 4.45 H new ATOM 0 HG2 GLU A 73 27.284 7.701 -33.908 1.00 42.42 H new ATOM 0 HG3 GLU A 73 25.989 8.018 -35.046 1.00 42.42 H new ATOM 1150 N SER A 74 22.813 7.060 -33.366 1.00 61.04 N ATOM 1151 CA SER A 74 21.926 6.057 -33.943 1.00 72.13 C ATOM 1152 C SER A 74 20.473 6.520 -33.887 1.00 21.44 C ATOM 1153 O SER A 74 20.138 7.465 -33.172 1.00 71.02 O ATOM 1154 CB SER A 74 22.078 4.726 -33.205 1.00 20.40 C ATOM 1155 OG SER A 74 21.045 4.551 -32.251 1.00 20.42 O ATOM 0 H SER A 74 23.084 6.878 -32.400 1.00 61.04 H new ATOM 0 HA SER A 74 22.205 5.919 -34.988 1.00 72.13 H new ATOM 0 HB2 SER A 74 22.058 3.905 -33.922 1.00 20.40 H new ATOM 0 HB3 SER A 74 23.047 4.691 -32.707 1.00 20.40 H new ATOM 0 HG SER A 74 21.316 4.950 -31.398 1.00 20.42 H new ATOM 1161 N HIS A 75 19.614 5.846 -34.645 1.00 41.13 N ATOM 1162 CA HIS A 75 18.196 6.187 -34.682 1.00 63.10 C ATOM 1163 C HIS A 75 17.340 4.933 -34.833 1.00 40.24 C ATOM 1164 O HIS A 75 17.822 3.891 -35.278 1.00 51.14 O ATOM 1165 CB HIS A 75 17.912 7.154 -35.831 1.00 43.53 C ATOM 1166 CG HIS A 75 16.759 8.073 -35.570 1.00 35.13 C ATOM 1167 ND1 HIS A 75 15.444 7.704 -35.764 1.00 41.30 N ATOM 1168 CD2 HIS A 75 16.728 9.351 -35.125 1.00 35.12 C ATOM 1169 CE1 HIS A 75 14.655 8.716 -35.452 1.00 15.44 C ATOM 1170 NE2 HIS A 75 15.409 9.728 -35.060 1.00 74.32 N ATOM 0 H HIS A 75 19.875 5.061 -35.242 1.00 41.13 H new ATOM 0 HA HIS A 75 17.939 6.670 -33.739 1.00 63.10 H new ATOM 0 HB2 HIS A 75 18.805 7.750 -36.022 1.00 43.53 H new ATOM 0 HB3 HIS A 75 17.711 6.581 -36.736 1.00 43.53 H new ATOM 0 HD2 HIS A 75 17.582 9.961 -34.869 1.00 35.12 H new ATOM 0 HE1 HIS A 75 13.576 8.716 -35.508 1.00 15.44 H new ATOM 0 HE2 HIS A 75 15.067 10.640 -34.758 1.00 74.32 H new ATOM 1178 N ILE A 76 16.069 5.042 -34.460 1.00 65.20 N ATOM 1179 CA ILE A 76 15.147 3.917 -34.555 1.00 1.22 C ATOM 1180 C ILE A 76 13.816 4.348 -35.161 1.00 71.33 C ATOM 1181 O ILE A 76 12.910 4.784 -34.450 1.00 63.14 O ATOM 1182 CB ILE A 76 14.889 3.283 -33.175 1.00 52.03 C ATOM 1183 CG1 ILE A 76 16.204 2.813 -32.552 1.00 25.25 C ATOM 1184 CG2 ILE A 76 13.911 2.124 -33.300 1.00 23.11 C ATOM 1185 CD1 ILE A 76 16.773 3.782 -31.539 1.00 65.10 C ATOM 0 H ILE A 76 15.655 5.897 -34.090 1.00 65.20 H new ATOM 0 HA ILE A 76 15.616 3.177 -35.203 1.00 1.22 H new ATOM 0 HB ILE A 76 14.448 4.036 -32.522 1.00 52.03 H new ATOM 0 HG12 ILE A 76 16.044 1.848 -32.070 1.00 25.25 H new ATOM 0 HG13 ILE A 76 16.936 2.656 -33.344 1.00 25.25 H new ATOM 0 HG21 ILE A 76 13.738 1.686 -32.317 1.00 23.11 H new ATOM 0 HG22 ILE A 76 12.967 2.487 -33.706 1.00 23.11 H new ATOM 0 HG23 ILE A 76 14.326 1.368 -33.966 1.00 23.11 H new ATOM 0 HD11 ILE A 76 17.705 3.384 -31.138 1.00 65.10 H new ATOM 0 HD12 ILE A 76 16.965 4.741 -32.021 1.00 65.10 H new ATOM 0 HD13 ILE A 76 16.059 3.920 -30.727 1.00 65.10 H new ATOM 1197 N ASP A 77 13.704 4.220 -36.479 1.00 13.42 N ATOM 1198 CA ASP A 77 12.482 4.593 -37.182 1.00 14.53 C ATOM 1199 C ASP A 77 11.338 3.650 -36.821 1.00 51.51 C ATOM 1200 O ASP A 77 10.172 4.045 -36.814 1.00 12.40 O ATOM 1201 CB ASP A 77 12.713 4.580 -38.693 1.00 70.15 C ATOM 1202 CG ASP A 77 11.538 5.148 -39.464 1.00 53.22 C ATOM 1203 OD1 ASP A 77 11.174 6.317 -39.216 1.00 1.02 O ATOM 1204 OD2 ASP A 77 10.982 4.424 -40.316 1.00 51.45 O ATOM 0 H ASP A 77 14.444 3.861 -37.082 1.00 13.42 H new ATOM 0 HA ASP A 77 12.208 5.602 -36.873 1.00 14.53 H new ATOM 0 HB2 ASP A 77 13.609 5.156 -38.925 1.00 70.15 H new ATOM 0 HB3 ASP A 77 12.898 3.557 -39.020 1.00 70.15 H new ATOM 1209 N LYS A 78 11.679 2.401 -36.523 1.00 44.52 N ATOM 1210 CA LYS A 78 10.682 1.401 -36.161 1.00 65.24 C ATOM 1211 C LYS A 78 11.307 0.287 -35.327 1.00 2.54 C ATOM 1212 O LYS A 78 12.506 0.026 -35.421 1.00 40.31 O ATOM 1213 CB LYS A 78 10.042 0.811 -37.420 1.00 11.02 C ATOM 1214 CG LYS A 78 11.045 0.457 -38.504 1.00 72.11 C ATOM 1215 CD LYS A 78 10.498 -0.605 -39.444 1.00 43.51 C ATOM 1216 CE LYS A 78 11.517 -0.984 -40.508 1.00 74.42 C ATOM 1217 NZ LYS A 78 11.486 -0.047 -41.665 1.00 3.23 N ATOM 0 H LYS A 78 12.639 2.057 -36.525 1.00 44.52 H new ATOM 0 HA LYS A 78 9.913 1.890 -35.564 1.00 65.24 H new ATOM 0 HB2 LYS A 78 9.483 -0.084 -37.148 1.00 11.02 H new ATOM 0 HB3 LYS A 78 9.323 1.526 -37.821 1.00 11.02 H new ATOM 0 HG2 LYS A 78 11.299 1.352 -39.073 1.00 72.11 H new ATOM 0 HG3 LYS A 78 11.967 0.099 -38.045 1.00 72.11 H new ATOM 0 HD2 LYS A 78 10.220 -1.491 -38.872 1.00 43.51 H new ATOM 0 HD3 LYS A 78 9.590 -0.237 -39.922 1.00 43.51 H new ATOM 0 HE2 LYS A 78 12.515 -0.987 -40.070 1.00 74.42 H new ATOM 0 HE3 LYS A 78 11.318 -1.998 -40.856 1.00 74.42 H new ATOM 0 HZ1 LYS A 78 12.195 -0.340 -42.368 1.00 3.23 H new ATOM 0 HZ2 LYS A 78 10.541 -0.063 -42.099 1.00 3.23 H new ATOM 0 HZ3 LYS A 78 11.701 0.916 -41.337 1.00 3.23 H new ATOM 1231 N ALA A 79 10.486 -0.366 -34.511 1.00 24.01 N ATOM 1232 CA ALA A 79 10.958 -1.453 -33.663 1.00 22.53 C ATOM 1233 C ALA A 79 9.898 -2.540 -33.523 1.00 31.42 C ATOM 1234 O ALA A 79 8.834 -2.465 -34.135 1.00 15.50 O ATOM 1235 CB ALA A 79 11.355 -0.921 -32.294 1.00 13.14 C ATOM 0 H ALA A 79 9.491 -0.161 -34.420 1.00 24.01 H new ATOM 0 HA ALA A 79 11.834 -1.895 -34.137 1.00 22.53 H new ATOM 0 HB1 ALA A 79 11.706 -1.744 -31.671 1.00 13.14 H new ATOM 0 HB2 ALA A 79 12.152 -0.186 -32.406 1.00 13.14 H new ATOM 0 HB3 ALA A 79 10.492 -0.451 -31.822 1.00 13.14 H new ATOM 1241 N ASN A 80 10.197 -3.552 -32.714 1.00 13.54 N ATOM 1242 CA ASN A 80 9.269 -4.655 -32.495 1.00 32.23 C ATOM 1243 C ASN A 80 9.728 -5.530 -31.332 1.00 2.40 C ATOM 1244 O ASN A 80 10.780 -5.289 -30.738 1.00 74.51 O ATOM 1245 CB ASN A 80 9.141 -5.500 -33.764 1.00 33.54 C ATOM 1246 CG ASN A 80 7.776 -6.149 -33.891 1.00 31.21 C ATOM 1247 OD1 ASN A 80 6.768 -5.468 -34.083 1.00 63.52 O ATOM 1248 ND2 ASN A 80 7.737 -7.472 -33.783 1.00 65.24 N ATOM 0 H ASN A 80 11.074 -3.630 -32.200 1.00 13.54 H new ATOM 0 HA ASN A 80 8.295 -4.234 -32.247 1.00 32.23 H new ATOM 0 HB2 ASN A 80 9.324 -4.872 -34.636 1.00 33.54 H new ATOM 0 HB3 ASN A 80 9.909 -6.273 -33.761 1.00 33.54 H new ATOM 0 HD21 ASN A 80 6.847 -7.964 -33.859 1.00 65.24 H new ATOM 0 HD22 ASN A 80 8.597 -7.996 -33.624 1.00 65.24 H new ATOM 1255 N PHE A 81 8.933 -6.545 -31.013 1.00 21.44 N ATOM 1256 CA PHE A 81 9.257 -7.456 -29.921 1.00 23.03 C ATOM 1257 C PHE A 81 8.890 -8.892 -30.283 1.00 31.11 C ATOM 1258 O PHE A 81 8.065 -9.131 -31.165 1.00 14.31 O ATOM 1259 CB PHE A 81 8.525 -7.037 -28.644 1.00 42.23 C ATOM 1260 CG PHE A 81 7.041 -6.891 -28.825 1.00 21.53 C ATOM 1261 CD1 PHE A 81 6.223 -8.009 -28.871 1.00 52.51 C ATOM 1262 CD2 PHE A 81 6.465 -5.638 -28.948 1.00 54.44 C ATOM 1263 CE1 PHE A 81 4.857 -7.878 -29.037 1.00 33.34 C ATOM 1264 CE2 PHE A 81 5.099 -5.501 -29.114 1.00 22.24 C ATOM 1265 CZ PHE A 81 4.294 -6.623 -29.159 1.00 45.11 C ATOM 0 H PHE A 81 8.060 -6.758 -31.495 1.00 21.44 H new ATOM 0 HA PHE A 81 10.332 -7.407 -29.748 1.00 23.03 H new ATOM 0 HB2 PHE A 81 8.717 -7.775 -27.866 1.00 42.23 H new ATOM 0 HB3 PHE A 81 8.935 -6.090 -28.293 1.00 42.23 H new ATOM 0 HD1 PHE A 81 6.658 -8.993 -28.776 1.00 52.51 H new ATOM 0 HD2 PHE A 81 7.090 -4.758 -28.914 1.00 54.44 H new ATOM 0 HE1 PHE A 81 4.230 -8.757 -29.071 1.00 33.34 H new ATOM 0 HE2 PHE A 81 4.662 -4.518 -29.208 1.00 22.24 H new ATOM 0 HZ PHE A 81 3.227 -6.519 -29.289 1.00 45.11 H new ATOM 1275 N LYS A 82 9.509 -9.846 -29.596 1.00 62.00 N ATOM 1276 CA LYS A 82 9.249 -11.259 -29.843 1.00 33.21 C ATOM 1277 C LYS A 82 8.385 -11.855 -28.736 1.00 14.31 C ATOM 1278 O LYS A 82 7.915 -11.141 -27.851 1.00 12.11 O ATOM 1279 CB LYS A 82 10.566 -12.031 -29.947 1.00 70.21 C ATOM 1280 CG LYS A 82 11.472 -11.540 -31.063 1.00 21.21 C ATOM 1281 CD LYS A 82 11.217 -12.290 -32.359 1.00 75.15 C ATOM 1282 CE LYS A 82 11.951 -13.622 -32.387 1.00 52.21 C ATOM 1283 NZ LYS A 82 11.443 -14.513 -33.467 1.00 10.03 N ATOM 0 H LYS A 82 10.195 -9.666 -28.863 1.00 62.00 H new ATOM 0 HA LYS A 82 8.710 -11.343 -30.787 1.00 33.21 H new ATOM 0 HB2 LYS A 82 11.098 -11.955 -28.999 1.00 70.21 H new ATOM 0 HB3 LYS A 82 10.347 -13.087 -30.106 1.00 70.21 H new ATOM 0 HG2 LYS A 82 11.311 -10.474 -31.221 1.00 21.21 H new ATOM 0 HG3 LYS A 82 12.514 -11.665 -30.768 1.00 21.21 H new ATOM 0 HD2 LYS A 82 10.147 -12.461 -32.477 1.00 75.15 H new ATOM 0 HD3 LYS A 82 11.537 -11.679 -33.203 1.00 75.15 H new ATOM 0 HE2 LYS A 82 13.017 -13.446 -32.533 1.00 52.21 H new ATOM 0 HE3 LYS A 82 11.839 -14.119 -31.423 1.00 52.21 H new ATOM 0 HZ1 LYS A 82 11.969 -15.410 -33.453 1.00 10.03 H new ATOM 0 HZ2 LYS A 82 10.432 -14.702 -33.314 1.00 10.03 H new ATOM 0 HZ3 LYS A 82 11.573 -14.050 -34.389 1.00 10.03 H new ATOM 1297 N ASN A 83 8.181 -13.167 -28.792 1.00 14.23 N ATOM 1298 CA ASN A 83 7.374 -13.858 -27.793 1.00 34.03 C ATOM 1299 C ASN A 83 8.050 -13.820 -26.426 1.00 1.13 C ATOM 1300 O ASN A 83 8.903 -14.653 -26.121 1.00 71.15 O ATOM 1301 CB ASN A 83 7.134 -15.309 -28.215 1.00 50.13 C ATOM 1302 CG ASN A 83 6.138 -16.016 -27.317 1.00 14.22 C ATOM 1303 OD1 ASN A 83 5.177 -15.411 -26.840 1.00 22.12 O ATOM 1304 ND2 ASN A 83 6.363 -17.303 -27.082 1.00 31.24 N ATOM 0 H ASN A 83 8.563 -13.773 -29.518 1.00 14.23 H new ATOM 0 HA ASN A 83 6.415 -13.345 -27.719 1.00 34.03 H new ATOM 0 HB2 ASN A 83 6.771 -15.330 -29.243 1.00 50.13 H new ATOM 0 HB3 ASN A 83 8.080 -15.850 -28.200 1.00 50.13 H new ATOM 0 HD21 ASN A 83 5.727 -17.831 -26.485 1.00 31.24 H new ATOM 0 HD22 ASN A 83 7.172 -17.764 -27.498 1.00 31.24 H new ATOM 1311 N GLU A 84 7.662 -12.848 -25.606 1.00 42.54 N ATOM 1312 CA GLU A 84 8.232 -12.701 -24.272 1.00 72.30 C ATOM 1313 C GLU A 84 8.150 -14.014 -23.499 1.00 32.24 C ATOM 1314 O GLU A 84 7.454 -14.945 -23.905 1.00 34.15 O ATOM 1315 CB GLU A 84 7.506 -11.597 -23.502 1.00 15.44 C ATOM 1316 CG GLU A 84 6.031 -11.882 -23.274 1.00 34.00 C ATOM 1317 CD GLU A 84 5.165 -11.442 -24.439 1.00 33.34 C ATOM 1318 OE1 GLU A 84 4.796 -10.250 -24.488 1.00 24.21 O ATOM 1319 OE2 GLU A 84 4.856 -12.291 -25.301 1.00 71.20 O ATOM 0 H GLU A 84 6.956 -12.151 -25.842 1.00 42.54 H new ATOM 0 HA GLU A 84 9.282 -12.428 -24.381 1.00 72.30 H new ATOM 0 HB2 GLU A 84 7.994 -11.458 -22.537 1.00 15.44 H new ATOM 0 HB3 GLU A 84 7.606 -10.659 -24.048 1.00 15.44 H new ATOM 0 HG2 GLU A 84 5.893 -12.950 -23.106 1.00 34.00 H new ATOM 0 HG3 GLU A 84 5.702 -11.372 -22.369 1.00 34.00 H new ATOM 1326 N LYS A 85 8.866 -14.082 -22.382 1.00 4.22 N ATOM 1327 CA LYS A 85 8.876 -15.279 -21.549 1.00 51.15 C ATOM 1328 C LYS A 85 8.893 -14.912 -20.069 1.00 20.10 C ATOM 1329 O LYS A 85 9.887 -14.394 -19.559 1.00 34.11 O ATOM 1330 CB LYS A 85 10.090 -16.148 -21.884 1.00 71.44 C ATOM 1331 CG LYS A 85 9.981 -17.571 -21.364 1.00 61.22 C ATOM 1332 CD LYS A 85 9.069 -18.416 -22.238 1.00 31.14 C ATOM 1333 CE LYS A 85 9.138 -19.887 -21.856 1.00 55.11 C ATOM 1334 NZ LYS A 85 8.392 -20.745 -22.818 1.00 53.21 N ATOM 0 H LYS A 85 9.448 -13.321 -22.032 1.00 4.22 H new ATOM 0 HA LYS A 85 7.966 -15.842 -21.755 1.00 51.15 H new ATOM 0 HB2 LYS A 85 10.220 -16.174 -22.966 1.00 71.44 H new ATOM 0 HB3 LYS A 85 10.984 -15.685 -21.467 1.00 71.44 H new ATOM 0 HG2 LYS A 85 10.972 -18.023 -21.327 1.00 61.22 H new ATOM 0 HG3 LYS A 85 9.599 -17.558 -20.343 1.00 61.22 H new ATOM 0 HD2 LYS A 85 8.042 -18.062 -22.144 1.00 31.14 H new ATOM 0 HD3 LYS A 85 9.352 -18.297 -23.284 1.00 31.14 H new ATOM 0 HE2 LYS A 85 10.180 -20.204 -21.819 1.00 55.11 H new ATOM 0 HE3 LYS A 85 8.728 -20.022 -20.855 1.00 55.11 H new ATOM 0 HZ1 LYS A 85 8.463 -21.740 -22.523 1.00 53.21 H new ATOM 0 HZ2 LYS A 85 7.392 -20.459 -22.835 1.00 53.21 H new ATOM 0 HZ3 LYS A 85 8.799 -20.636 -23.769 1.00 53.21 H new ATOM 1348 N VAL A 86 7.787 -15.185 -19.383 1.00 64.33 N ATOM 1349 CA VAL A 86 7.677 -14.886 -17.961 1.00 33.44 C ATOM 1350 C VAL A 86 8.540 -15.830 -17.132 1.00 24.52 C ATOM 1351 O VAL A 86 8.451 -17.051 -17.269 1.00 42.11 O ATOM 1352 CB VAL A 86 6.217 -14.986 -17.478 1.00 25.30 C ATOM 1353 CG1 VAL A 86 6.127 -14.695 -15.988 1.00 35.12 C ATOM 1354 CG2 VAL A 86 5.329 -14.039 -18.270 1.00 32.11 C ATOM 0 H VAL A 86 6.955 -15.613 -19.790 1.00 64.33 H new ATOM 0 HA VAL A 86 8.029 -13.863 -17.825 1.00 33.44 H new ATOM 0 HB VAL A 86 5.865 -16.004 -17.646 1.00 25.30 H new ATOM 0 HG11 VAL A 86 5.089 -14.770 -15.665 1.00 35.12 H new ATOM 0 HG12 VAL A 86 6.731 -15.417 -15.439 1.00 35.12 H new ATOM 0 HG13 VAL A 86 6.496 -13.689 -15.791 1.00 35.12 H new ATOM 0 HG21 VAL A 86 4.301 -14.122 -17.916 1.00 32.11 H new ATOM 0 HG22 VAL A 86 5.677 -13.015 -18.135 1.00 32.11 H new ATOM 0 HG23 VAL A 86 5.371 -14.300 -19.327 1.00 32.11 H new ATOM 1364 N ILE A 87 9.376 -15.258 -16.272 1.00 15.24 N ATOM 1365 CA ILE A 87 10.254 -16.049 -15.419 1.00 44.31 C ATOM 1366 C ILE A 87 10.151 -15.607 -13.963 1.00 61.31 C ATOM 1367 O ILE A 87 9.609 -14.543 -13.662 1.00 52.05 O ATOM 1368 CB ILE A 87 11.722 -15.944 -15.873 1.00 4.23 C ATOM 1369 CG1 ILE A 87 12.147 -14.477 -15.964 1.00 41.32 C ATOM 1370 CG2 ILE A 87 11.914 -16.641 -17.211 1.00 43.13 C ATOM 1371 CD1 ILE A 87 13.587 -14.290 -16.389 1.00 52.22 C ATOM 0 H ILE A 87 9.464 -14.249 -16.148 1.00 15.24 H new ATOM 0 HA ILE A 87 9.928 -17.086 -15.505 1.00 44.31 H new ATOM 0 HB ILE A 87 12.352 -16.440 -15.134 1.00 4.23 H new ATOM 0 HG12 ILE A 87 11.498 -13.962 -16.672 1.00 41.32 H new ATOM 0 HG13 ILE A 87 11.999 -14.003 -14.994 1.00 41.32 H new ATOM 0 HG21 ILE A 87 12.957 -16.558 -17.518 1.00 43.13 H new ATOM 0 HG22 ILE A 87 11.647 -17.693 -17.115 1.00 43.13 H new ATOM 0 HG23 ILE A 87 11.276 -16.172 -17.960 1.00 43.13 H new ATOM 0 HD11 ILE A 87 13.818 -13.226 -16.432 1.00 52.22 H new ATOM 0 HD12 ILE A 87 14.245 -14.776 -15.668 1.00 52.22 H new ATOM 0 HD13 ILE A 87 13.736 -14.734 -17.373 1.00 52.22 H new ATOM 1383 N LEU A 88 10.676 -16.431 -13.063 1.00 1.34 N ATOM 1384 CA LEU A 88 10.645 -16.125 -11.636 1.00 42.05 C ATOM 1385 C LEU A 88 11.960 -15.496 -11.186 1.00 32.33 C ATOM 1386 O LEU A 88 11.994 -14.718 -10.233 1.00 11.25 O ATOM 1387 CB LEU A 88 10.370 -17.394 -10.828 1.00 63.45 C ATOM 1388 CG LEU A 88 10.250 -17.214 -9.315 1.00 13.31 C ATOM 1389 CD1 LEU A 88 9.022 -16.384 -8.973 1.00 30.04 C ATOM 1390 CD2 LEU A 88 10.193 -18.566 -8.619 1.00 53.12 C ATOM 0 H LEU A 88 11.128 -17.315 -13.295 1.00 1.34 H new ATOM 0 HA LEU A 88 9.842 -15.409 -11.460 1.00 42.05 H new ATOM 0 HB2 LEU A 88 9.446 -17.841 -11.195 1.00 63.45 H new ATOM 0 HB3 LEU A 88 11.170 -18.107 -11.026 1.00 63.45 H new ATOM 0 HG LEU A 88 11.133 -16.683 -8.960 1.00 13.31 H new ATOM 0 HD11 LEU A 88 8.952 -16.266 -7.892 1.00 30.04 H new ATOM 0 HD12 LEU A 88 9.104 -15.403 -9.441 1.00 30.04 H new ATOM 0 HD13 LEU A 88 8.128 -16.888 -9.341 1.00 30.04 H new ATOM 0 HD21 LEU A 88 10.108 -18.418 -7.543 1.00 53.12 H new ATOM 0 HD22 LEU A 88 9.328 -19.124 -8.978 1.00 53.12 H new ATOM 0 HD23 LEU A 88 11.102 -19.126 -8.837 1.00 53.12 H new ATOM 1402 N LYS A 89 13.041 -15.838 -11.879 1.00 10.44 N ATOM 1403 CA LYS A 89 14.359 -15.305 -11.553 1.00 54.22 C ATOM 1404 C LYS A 89 15.057 -14.779 -12.803 1.00 70.23 C ATOM 1405 O LYS A 89 15.047 -15.427 -13.851 1.00 3.10 O ATOM 1406 CB LYS A 89 15.219 -16.384 -10.891 1.00 54.13 C ATOM 1407 CG LYS A 89 15.280 -17.681 -11.679 1.00 41.24 C ATOM 1408 CD LYS A 89 16.138 -18.720 -10.977 1.00 51.11 C ATOM 1409 CE LYS A 89 16.232 -20.004 -11.787 1.00 22.25 C ATOM 1410 NZ LYS A 89 17.325 -20.890 -11.296 1.00 54.25 N ATOM 0 H LYS A 89 13.030 -16.482 -12.670 1.00 10.44 H new ATOM 0 HA LYS A 89 14.227 -14.477 -10.856 1.00 54.22 H new ATOM 0 HB2 LYS A 89 16.231 -16.000 -10.760 1.00 54.13 H new ATOM 0 HB3 LYS A 89 14.825 -16.591 -9.896 1.00 54.13 H new ATOM 0 HG2 LYS A 89 14.272 -18.072 -11.816 1.00 41.24 H new ATOM 0 HG3 LYS A 89 15.684 -17.486 -12.673 1.00 41.24 H new ATOM 0 HD2 LYS A 89 17.138 -18.318 -10.813 1.00 51.11 H new ATOM 0 HD3 LYS A 89 15.717 -18.938 -9.995 1.00 51.11 H new ATOM 0 HE2 LYS A 89 15.282 -20.536 -11.736 1.00 22.25 H new ATOM 0 HE3 LYS A 89 16.405 -19.760 -12.835 1.00 22.25 H new ATOM 0 HZ1 LYS A 89 17.357 -21.754 -11.873 1.00 54.25 H new ATOM 0 HZ2 LYS A 89 18.235 -20.392 -11.368 1.00 54.25 H new ATOM 0 HZ3 LYS A 89 17.147 -21.143 -10.303 1.00 54.25 H new ATOM 1424 N LEU A 90 15.663 -13.603 -12.686 1.00 62.03 N ATOM 1425 CA LEU A 90 16.368 -12.991 -13.807 1.00 45.01 C ATOM 1426 C LEU A 90 17.688 -13.706 -14.076 1.00 64.50 C ATOM 1427 O LEU A 90 18.275 -14.307 -13.175 1.00 43.35 O ATOM 1428 CB LEU A 90 16.626 -11.510 -13.525 1.00 43.33 C ATOM 1429 CG LEU A 90 15.389 -10.652 -13.256 1.00 61.44 C ATOM 1430 CD1 LEU A 90 15.791 -9.222 -12.930 1.00 62.42 C ATOM 1431 CD2 LEU A 90 14.448 -10.684 -14.452 1.00 21.21 C ATOM 0 H LEU A 90 15.681 -13.054 -11.826 1.00 62.03 H new ATOM 0 HA LEU A 90 15.739 -13.082 -14.693 1.00 45.01 H new ATOM 0 HB2 LEU A 90 17.290 -11.435 -12.664 1.00 43.33 H new ATOM 0 HB3 LEU A 90 17.159 -11.086 -14.376 1.00 43.33 H new ATOM 0 HG LEU A 90 14.864 -11.065 -12.394 1.00 61.44 H new ATOM 0 HD11 LEU A 90 14.897 -8.627 -12.742 1.00 62.42 H new ATOM 0 HD12 LEU A 90 16.425 -9.215 -12.043 1.00 62.42 H new ATOM 0 HD13 LEU A 90 16.339 -8.797 -13.771 1.00 62.42 H new ATOM 0 HD21 LEU A 90 13.573 -10.068 -14.243 1.00 21.21 H new ATOM 0 HD22 LEU A 90 14.963 -10.296 -15.331 1.00 21.21 H new ATOM 0 HD23 LEU A 90 14.133 -11.710 -14.640 1.00 21.21 H new ATOM 1443 N ASP A 91 18.151 -13.637 -15.320 1.00 15.45 N ATOM 1444 CA ASP A 91 19.403 -14.275 -15.707 1.00 3.13 C ATOM 1445 C ASP A 91 20.593 -13.377 -15.382 1.00 24.40 C ATOM 1446 O ASP A 91 21.707 -13.858 -15.170 1.00 71.32 O ATOM 1447 CB ASP A 91 19.391 -14.607 -17.200 1.00 2.33 C ATOM 1448 CG ASP A 91 20.583 -15.447 -17.616 1.00 11.43 C ATOM 1449 OD1 ASP A 91 21.682 -14.877 -17.776 1.00 25.22 O ATOM 1450 OD2 ASP A 91 20.416 -16.673 -17.782 1.00 74.11 O ATOM 0 H ASP A 91 17.677 -13.145 -16.077 1.00 15.45 H new ATOM 0 HA ASP A 91 19.502 -15.200 -15.138 1.00 3.13 H new ATOM 0 HB2 ASP A 91 18.472 -15.140 -17.443 1.00 2.33 H new ATOM 0 HB3 ASP A 91 19.384 -13.681 -17.775 1.00 2.33 H new ATOM 1455 N TYR A 92 20.351 -12.072 -15.346 1.00 13.03 N ATOM 1456 CA TYR A 92 21.403 -11.107 -15.051 1.00 0.15 C ATOM 1457 C TYR A 92 21.004 -10.205 -13.886 1.00 64.40 C ATOM 1458 O TYR A 92 19.829 -10.110 -13.534 1.00 73.22 O ATOM 1459 CB TYR A 92 21.707 -10.258 -16.286 1.00 72.13 C ATOM 1460 CG TYR A 92 22.618 -10.941 -17.281 1.00 23.13 C ATOM 1461 CD1 TYR A 92 22.107 -11.804 -18.243 1.00 10.33 C ATOM 1462 CD2 TYR A 92 23.990 -10.725 -17.258 1.00 45.21 C ATOM 1463 CE1 TYR A 92 22.936 -12.431 -19.153 1.00 12.41 C ATOM 1464 CE2 TYR A 92 24.827 -11.346 -18.165 1.00 74.13 C ATOM 1465 CZ TYR A 92 24.295 -12.198 -19.111 1.00 33.25 C ATOM 1466 OH TYR A 92 25.125 -12.820 -20.015 1.00 75.11 O ATOM 0 H TYR A 92 19.435 -11.658 -15.518 1.00 13.03 H new ATOM 0 HA TYR A 92 22.299 -11.660 -14.769 1.00 0.15 H new ATOM 0 HB2 TYR A 92 20.770 -10.002 -16.780 1.00 72.13 H new ATOM 0 HB3 TYR A 92 22.166 -9.322 -15.969 1.00 72.13 H new ATOM 0 HD1 TYR A 92 21.043 -11.988 -18.280 1.00 10.33 H new ATOM 0 HD2 TYR A 92 24.410 -10.060 -16.518 1.00 45.21 H new ATOM 0 HE1 TYR A 92 22.522 -13.100 -19.893 1.00 12.41 H new ATOM 0 HE2 TYR A 92 25.891 -11.166 -18.134 1.00 74.13 H new ATOM 0 HH TYR A 92 26.052 -12.547 -19.850 1.00 75.11 H new ATOM 1476 N SER A 93 21.993 -9.545 -13.292 1.00 43.23 N ATOM 1477 CA SER A 93 21.748 -8.653 -12.165 1.00 40.31 C ATOM 1478 C SER A 93 21.962 -7.197 -12.568 1.00 52.21 C ATOM 1479 O SER A 93 21.378 -6.286 -11.980 1.00 25.34 O ATOM 1480 CB SER A 93 22.667 -9.010 -10.995 1.00 72.13 C ATOM 1481 OG SER A 93 22.857 -10.412 -10.906 1.00 13.44 O ATOM 0 H SER A 93 22.971 -9.611 -13.572 1.00 43.23 H new ATOM 0 HA SER A 93 20.711 -8.778 -11.854 1.00 40.31 H new ATOM 0 HB2 SER A 93 23.631 -8.516 -11.121 1.00 72.13 H new ATOM 0 HB3 SER A 93 22.238 -8.638 -10.065 1.00 72.13 H new ATOM 0 HG SER A 93 23.449 -10.615 -10.152 1.00 13.44 H new ATOM 1487 N ASP A 94 22.802 -6.986 -13.575 1.00 41.20 N ATOM 1488 CA ASP A 94 23.093 -5.641 -14.059 1.00 24.22 C ATOM 1489 C ASP A 94 23.208 -5.624 -15.580 1.00 12.11 C ATOM 1490 O ASP A 94 23.769 -6.540 -16.181 1.00 71.11 O ATOM 1491 CB ASP A 94 24.387 -5.120 -13.432 1.00 2.34 C ATOM 1492 CG ASP A 94 25.462 -6.186 -13.351 1.00 2.41 C ATOM 1493 OD1 ASP A 94 25.816 -6.752 -14.406 1.00 32.11 O ATOM 1494 OD2 ASP A 94 25.949 -6.454 -12.232 1.00 63.15 O ATOM 0 H ASP A 94 23.294 -7.729 -14.072 1.00 41.20 H new ATOM 0 HA ASP A 94 22.269 -4.990 -13.768 1.00 24.22 H new ATOM 0 HB2 ASP A 94 24.758 -4.278 -14.017 1.00 2.34 H new ATOM 0 HB3 ASP A 94 24.176 -4.744 -12.431 1.00 2.34 H new ATOM 1499 N PHE A 95 22.671 -4.576 -16.197 1.00 23.14 N ATOM 1500 CA PHE A 95 22.711 -4.440 -17.648 1.00 22.30 C ATOM 1501 C PHE A 95 24.149 -4.322 -18.144 1.00 4.52 C ATOM 1502 O PHE A 95 24.960 -3.602 -17.561 1.00 14.51 O ATOM 1503 CB PHE A 95 21.905 -3.217 -18.089 1.00 70.14 C ATOM 1504 CG PHE A 95 21.258 -3.379 -19.435 1.00 61.22 C ATOM 1505 CD1 PHE A 95 22.030 -3.479 -20.582 1.00 33.22 C ATOM 1506 CD2 PHE A 95 19.879 -3.432 -19.554 1.00 33.22 C ATOM 1507 CE1 PHE A 95 21.437 -3.628 -21.821 1.00 51.34 C ATOM 1508 CE2 PHE A 95 19.280 -3.581 -20.791 1.00 2.12 C ATOM 1509 CZ PHE A 95 20.061 -3.680 -21.926 1.00 14.21 C ATOM 0 H PHE A 95 22.203 -3.809 -15.714 1.00 23.14 H new ATOM 0 HA PHE A 95 22.268 -5.335 -18.084 1.00 22.30 H new ATOM 0 HB2 PHE A 95 21.134 -3.013 -17.346 1.00 70.14 H new ATOM 0 HB3 PHE A 95 22.562 -2.348 -18.113 1.00 70.14 H new ATOM 0 HD1 PHE A 95 23.107 -3.440 -20.506 1.00 33.22 H new ATOM 0 HD2 PHE A 95 19.264 -3.356 -18.669 1.00 33.22 H new ATOM 0 HE1 PHE A 95 22.050 -3.704 -22.707 1.00 51.34 H new ATOM 0 HE2 PHE A 95 18.204 -3.620 -20.870 1.00 2.12 H new ATOM 0 HZ PHE A 95 19.596 -3.798 -22.894 1.00 14.21 H new ATOM 1519 N GLN A 96 24.458 -5.034 -19.223 1.00 12.32 N ATOM 1520 CA GLN A 96 25.798 -5.009 -19.796 1.00 62.22 C ATOM 1521 C GLN A 96 25.739 -4.847 -21.312 1.00 21.34 C ATOM 1522 O GLN A 96 24.662 -4.692 -21.887 1.00 54.31 O ATOM 1523 CB GLN A 96 26.553 -6.290 -19.437 1.00 72.43 C ATOM 1524 CG GLN A 96 27.021 -6.336 -17.992 1.00 3.21 C ATOM 1525 CD GLN A 96 27.084 -7.747 -17.443 1.00 33.53 C ATOM 1526 OE1 GLN A 96 26.466 -8.665 -17.985 1.00 4.32 O ATOM 1527 NE2 GLN A 96 27.832 -7.930 -16.361 1.00 13.42 N ATOM 0 H GLN A 96 23.799 -5.635 -19.718 1.00 12.32 H new ATOM 0 HA GLN A 96 26.329 -4.154 -19.378 1.00 62.22 H new ATOM 0 HB2 GLN A 96 25.908 -7.148 -19.629 1.00 72.43 H new ATOM 0 HB3 GLN A 96 27.418 -6.388 -20.093 1.00 72.43 H new ATOM 0 HG2 GLN A 96 28.007 -5.878 -17.919 1.00 3.21 H new ATOM 0 HG3 GLN A 96 26.346 -5.741 -17.377 1.00 3.21 H new ATOM 0 HE21 GLN A 96 28.327 -7.142 -15.944 1.00 13.42 H new ATOM 0 HE22 GLN A 96 27.911 -8.859 -15.947 1.00 13.42 H new ATOM 1536 N ILE A 97 26.903 -4.885 -21.951 1.00 50.34 N ATOM 1537 CA ILE A 97 26.983 -4.743 -23.400 1.00 13.11 C ATOM 1538 C ILE A 97 27.746 -5.906 -24.025 1.00 10.31 C ATOM 1539 O ILE A 97 28.657 -6.465 -23.414 1.00 0.51 O ATOM 1540 CB ILE A 97 27.666 -3.422 -23.799 1.00 55.54 C ATOM 1541 CG1 ILE A 97 27.043 -2.250 -23.038 1.00 12.32 C ATOM 1542 CG2 ILE A 97 27.557 -3.202 -25.301 1.00 32.00 C ATOM 1543 CD1 ILE A 97 27.700 -0.920 -23.333 1.00 1.33 C ATOM 0 H ILE A 97 27.803 -5.013 -21.489 1.00 50.34 H new ATOM 0 HA ILE A 97 25.959 -4.741 -23.774 1.00 13.11 H new ATOM 0 HB ILE A 97 28.722 -3.482 -23.535 1.00 55.54 H new ATOM 0 HG12 ILE A 97 25.984 -2.186 -23.289 1.00 12.32 H new ATOM 0 HG13 ILE A 97 27.106 -2.448 -21.968 1.00 12.32 H new ATOM 0 HG21 ILE A 97 28.044 -2.264 -25.568 1.00 32.00 H new ATOM 0 HG22 ILE A 97 28.042 -4.025 -25.825 1.00 32.00 H new ATOM 0 HG23 ILE A 97 26.506 -3.159 -25.587 1.00 32.00 H new ATOM 0 HD11 ILE A 97 27.207 -0.135 -22.759 1.00 1.33 H new ATOM 0 HD12 ILE A 97 28.753 -0.965 -23.056 1.00 1.33 H new ATOM 0 HD13 ILE A 97 27.614 -0.700 -24.397 1.00 1.33 H new ATOM 1555 N VAL A 98 27.369 -6.265 -25.248 1.00 50.30 N ATOM 1556 CA VAL A 98 28.020 -7.359 -25.958 1.00 74.32 C ATOM 1557 C VAL A 98 28.753 -6.853 -27.195 1.00 51.11 C ATOM 1558 O VAL A 98 28.161 -6.209 -28.062 1.00 1.35 O ATOM 1559 CB VAL A 98 27.003 -8.436 -26.382 1.00 41.03 C ATOM 1560 CG1 VAL A 98 27.696 -9.554 -27.146 1.00 5.10 C ATOM 1561 CG2 VAL A 98 26.270 -8.984 -25.167 1.00 60.03 C ATOM 0 H VAL A 98 26.616 -5.814 -25.768 1.00 50.30 H new ATOM 0 HA VAL A 98 28.740 -7.800 -25.268 1.00 74.32 H new ATOM 0 HB VAL A 98 26.269 -7.977 -27.044 1.00 41.03 H new ATOM 0 HG11 VAL A 98 26.962 -10.305 -27.437 1.00 5.10 H new ATOM 0 HG12 VAL A 98 28.170 -9.145 -28.038 1.00 5.10 H new ATOM 0 HG13 VAL A 98 28.453 -10.014 -26.511 1.00 5.10 H new ATOM 0 HG21 VAL A 98 25.556 -9.743 -25.485 1.00 60.03 H new ATOM 0 HG22 VAL A 98 26.989 -9.428 -24.478 1.00 60.03 H new ATOM 0 HG23 VAL A 98 25.740 -8.174 -24.666 1.00 60.03 H new ATOM 1571 N LYS A 99 30.046 -7.149 -27.272 1.00 0.30 N ATOM 1572 CA LYS A 99 30.862 -6.726 -28.404 1.00 2.32 C ATOM 1573 C LYS A 99 30.264 -7.215 -29.719 1.00 23.31 C ATOM 1574 O LYS A 99 30.730 -8.198 -30.296 1.00 44.12 O ATOM 1575 CB LYS A 99 32.291 -7.252 -28.254 1.00 22.45 C ATOM 1576 CG LYS A 99 33.182 -6.361 -27.406 1.00 0.13 C ATOM 1577 CD LYS A 99 34.643 -6.762 -27.520 1.00 42.03 C ATOM 1578 CE LYS A 99 35.252 -6.282 -28.829 1.00 10.32 C ATOM 1579 NZ LYS A 99 35.493 -4.812 -28.822 1.00 71.22 N ATOM 0 H LYS A 99 30.552 -7.681 -26.563 1.00 0.30 H new ATOM 0 HA LYS A 99 30.882 -5.636 -28.418 1.00 2.32 H new ATOM 0 HB2 LYS A 99 32.258 -8.247 -27.810 1.00 22.45 H new ATOM 0 HB3 LYS A 99 32.735 -7.359 -29.244 1.00 22.45 H new ATOM 0 HG2 LYS A 99 33.063 -5.323 -27.718 1.00 0.13 H new ATOM 0 HG3 LYS A 99 32.868 -6.418 -26.364 1.00 0.13 H new ATOM 0 HD2 LYS A 99 35.202 -6.345 -26.683 1.00 42.03 H new ATOM 0 HD3 LYS A 99 34.730 -7.846 -27.453 1.00 42.03 H new ATOM 0 HE2 LYS A 99 36.193 -6.804 -29.005 1.00 10.32 H new ATOM 0 HE3 LYS A 99 34.587 -6.537 -29.654 1.00 10.32 H new ATOM 0 HZ1 LYS A 99 36.087 -4.554 -29.635 1.00 71.22 H new ATOM 0 HZ2 LYS A 99 34.584 -4.311 -28.884 1.00 71.22 H new ATOM 0 HZ3 LYS A 99 35.976 -4.544 -27.941 1.00 71.22 H new TER 1593 LYS A 99