USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 840 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 97 TYR OH : rot 32:sc= -1.27! USER MOD Set 1.2: A 104 GLN :FLIP amide:sc= -0.803 F(o=-5.6!,f=-2.1) USER MOD Set 2.1: A 95 ASN :FLIP amide:sc= -0.194 F(o=-0.84,f=-0.32) USER MOD Set 2.2: A 96 HIS : no HD1:sc= -0.126 K(o=-0.32,f=-1.5) USER MOD Single : A 18 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : A 23 TYR OH : rot 110:sc= -2.45! USER MOD Single : A 28 SER OG : rot 180:sc= -0.482 USER MOD Single : A 33 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00217 USER MOD Single : A 43 THR OG1 : rot -70:sc= -2.28! USER MOD Single : A 50 SER OG : rot 137:sc= 0.758 USER MOD Single : A 51 THR OG1 : rot -76:sc= 1.14 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 33:sc= 0.284 USER MOD Single : A 60 THR OG1 : rot -56:sc= 0.478 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc=-0.00531 X(o=-0.0053,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.651 K(o=-0.65,f=-4.4!) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= -0.106 (180deg=-0.729) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -6.06! C(o=-6.7!,f=-6.1!) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0259) USER MOD Single : A 79 TYR OH : rot -5:sc= 0.602 USER MOD Single : A 82 SER OG : rot 150:sc= -0.647 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.98! C(o=-3.1!,f=-2!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.584 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.939! USER MOD Single : A 105 TYR OH : rot -15:sc= -0.25 USER MOD Single : A 106 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.058) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0.39 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 30:sc= 0.192 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.446 -9.055 -14.479 1.00 0.00 N ATOM 2 CA LEU A 17 2.400 -8.411 -13.544 1.00 0.00 C ATOM 3 C LEU A 17 3.783 -9.011 -13.705 1.00 0.00 C ATOM 4 O LEU A 17 4.431 -9.350 -12.734 1.00 0.00 O ATOM 5 CB LEU A 17 1.949 -8.629 -12.101 1.00 0.00 C ATOM 6 CG LEU A 17 2.685 -7.641 -11.192 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.888 -6.343 -11.092 1.00 0.00 C ATOM 8 CD2 LEU A 17 2.817 -8.247 -9.809 1.00 0.00 C ATOM 0 HA LEU A 17 2.429 -7.345 -13.772 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.872 -8.486 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.159 -9.653 -11.792 1.00 0.00 H new ATOM 0 HG LEU A 17 3.671 -7.431 -11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.414 -5.642 -10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.777 -5.907 -12.085 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.903 -6.552 -10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.340 -7.550 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.825 -8.450 -9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.380 -9.178 -9.872 1.00 0.00 H new ATOM 22 N GLN A 18 4.216 -9.137 -14.924 1.00 0.00 N ATOM 23 CA GLN A 18 5.559 -9.713 -15.154 1.00 0.00 C ATOM 24 C GLN A 18 6.612 -8.747 -14.658 1.00 0.00 C ATOM 25 O GLN A 18 7.739 -9.117 -14.393 1.00 0.00 O ATOM 26 CB GLN A 18 5.749 -9.931 -16.660 1.00 0.00 C ATOM 27 CG GLN A 18 4.573 -10.749 -17.200 1.00 0.00 C ATOM 28 CD GLN A 18 4.990 -11.446 -18.500 1.00 0.00 C ATOM 29 OE1 GLN A 18 6.137 -11.414 -18.898 1.00 0.00 O ATOM 30 NE2 GLN A 18 4.088 -12.086 -19.191 1.00 0.00 N ATOM 0 H GLN A 18 3.702 -8.868 -15.763 1.00 0.00 H new ATOM 0 HA GLN A 18 5.653 -10.659 -14.621 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.807 -8.972 -17.174 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.688 -10.452 -16.849 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.261 -11.488 -16.462 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.717 -10.099 -17.382 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.122 -12.118 -18.864 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.348 -12.555 -20.059 1.00 0.00 H new ATOM 39 N ASP A 19 6.213 -7.521 -14.550 1.00 0.00 N ATOM 40 CA ASP A 19 7.133 -6.483 -14.079 1.00 0.00 C ATOM 41 C ASP A 19 6.351 -5.243 -13.720 1.00 0.00 C ATOM 42 O ASP A 19 6.783 -4.429 -12.927 1.00 0.00 O ATOM 43 CB ASP A 19 8.095 -6.147 -15.208 1.00 0.00 C ATOM 44 CG ASP A 19 9.538 -6.249 -14.701 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.968 -5.284 -14.092 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.126 -7.287 -14.953 1.00 0.00 O ATOM 0 H ASP A 19 5.272 -7.196 -14.773 1.00 0.00 H new ATOM 0 HA ASP A 19 7.677 -6.837 -13.203 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.943 -6.830 -16.044 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.899 -5.141 -15.579 1.00 0.00 H new ATOM 51 N ALA A 20 5.206 -5.124 -14.317 1.00 0.00 N ATOM 52 CA ALA A 20 4.352 -3.946 -14.040 1.00 0.00 C ATOM 53 C ALA A 20 5.096 -2.642 -14.316 1.00 0.00 C ATOM 54 O ALA A 20 6.168 -2.646 -14.888 1.00 0.00 O ATOM 55 CB ALA A 20 3.973 -3.979 -12.564 1.00 0.00 C ATOM 0 H ALA A 20 4.824 -5.792 -14.986 1.00 0.00 H new ATOM 0 HA ALA A 20 3.475 -3.986 -14.686 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.342 -3.121 -12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.429 -4.898 -12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.876 -3.941 -11.955 1.00 0.00 H new ATOM 61 N GLU A 21 4.503 -1.544 -13.895 1.00 0.00 N ATOM 62 CA GLU A 21 5.144 -0.219 -14.111 1.00 0.00 C ATOM 63 C GLU A 21 5.142 0.586 -12.811 1.00 0.00 C ATOM 64 O GLU A 21 6.159 1.117 -12.406 1.00 0.00 O ATOM 65 CB GLU A 21 4.337 0.545 -15.175 1.00 0.00 C ATOM 66 CG GLU A 21 3.749 -0.458 -16.172 1.00 0.00 C ATOM 67 CD GLU A 21 3.240 0.288 -17.408 1.00 0.00 C ATOM 68 OE1 GLU A 21 4.091 0.695 -18.183 1.00 0.00 O ATOM 69 OE2 GLU A 21 2.030 0.407 -17.510 1.00 0.00 O ATOM 0 H GLU A 21 3.605 -1.517 -13.413 1.00 0.00 H new ATOM 0 HA GLU A 21 6.174 -0.362 -14.438 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.539 1.118 -14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.978 1.259 -15.693 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.507 -1.187 -16.460 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.934 -1.013 -15.708 1.00 0.00 H new ATOM 76 N TRP A 22 3.994 0.662 -12.176 1.00 0.00 N ATOM 77 CA TRP A 22 3.915 1.426 -10.900 1.00 0.00 C ATOM 78 C TRP A 22 4.808 0.782 -9.863 1.00 0.00 C ATOM 79 O TRP A 22 5.393 1.442 -9.027 1.00 0.00 O ATOM 80 CB TRP A 22 2.470 1.388 -10.394 1.00 0.00 C ATOM 81 CG TRP A 22 1.549 0.904 -11.534 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.061 1.697 -12.468 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.188 -0.346 -11.743 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.380 0.868 -13.276 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.412 -0.453 -12.885 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.466 -1.478 -11.007 1.00 0.00 C ATOM 87 CZ2 TRP A 22 -0.070 -1.681 -13.276 1.00 0.00 C ATOM 88 CZ3 TRP A 22 0.979 -2.694 -11.399 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.218 -2.800 -12.527 1.00 0.00 C ATOM 0 H TRP A 22 3.122 0.232 -12.485 1.00 0.00 H new ATOM 0 HA TRP A 22 4.235 2.454 -11.070 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.389 0.720 -9.536 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.163 2.378 -10.057 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.181 2.766 -12.562 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.118 1.188 -14.107 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.072 -1.404 -10.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.673 -1.767 -14.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.198 -3.575 -10.813 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.159 -3.764 -12.833 1.00 0.00 H new ATOM 100 N TYR A 23 4.888 -0.505 -9.948 1.00 0.00 N ATOM 101 CA TYR A 23 5.728 -1.267 -8.999 1.00 0.00 C ATOM 102 C TYR A 23 7.134 -1.391 -9.556 1.00 0.00 C ATOM 103 O TYR A 23 7.321 -1.709 -10.714 1.00 0.00 O ATOM 104 CB TYR A 23 5.112 -2.669 -8.849 1.00 0.00 C ATOM 105 CG TYR A 23 3.672 -2.608 -8.240 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.066 -1.404 -7.823 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.947 -3.777 -8.121 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.785 -1.411 -7.313 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.667 -3.766 -7.608 1.00 0.00 C ATOM 110 CZ TYR A 23 1.079 -2.587 -7.202 1.00 0.00 C ATOM 111 OH TYR A 23 -0.206 -2.586 -6.697 1.00 0.00 O ATOM 0 H TYR A 23 4.401 -1.071 -10.643 1.00 0.00 H new ATOM 0 HA TYR A 23 5.772 -0.761 -8.034 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.074 -3.156 -9.824 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.751 -3.281 -8.212 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.608 -0.473 -7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.388 -4.712 -8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.331 -0.483 -6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.118 -4.692 -7.523 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.841 -2.785 -7.417 1.00 0.00 H new ATOM 121 N TRP A 24 8.105 -1.140 -8.725 1.00 0.00 N ATOM 122 CA TRP A 24 9.499 -1.237 -9.199 1.00 0.00 C ATOM 123 C TRP A 24 10.013 -2.644 -9.018 1.00 0.00 C ATOM 124 O TRP A 24 10.376 -3.313 -9.965 1.00 0.00 O ATOM 125 CB TRP A 24 10.388 -0.293 -8.354 1.00 0.00 C ATOM 126 CG TRP A 24 9.941 1.194 -8.482 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.716 1.618 -8.830 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.719 2.218 -8.201 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.801 2.948 -8.729 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.035 3.411 -8.342 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.051 2.240 -7.811 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.663 4.604 -8.104 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.678 3.446 -7.572 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.984 4.627 -7.718 1.00 0.00 C ATOM 0 H TRP A 24 7.989 -0.874 -7.747 1.00 0.00 H new ATOM 0 HA TRP A 24 9.531 -0.963 -10.253 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.347 -0.596 -7.308 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.426 -0.389 -8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.863 1.024 -9.123 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.015 3.568 -8.923 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.596 1.315 -7.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.120 5.530 -8.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.715 3.464 -7.270 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.476 5.570 -7.530 1.00 0.00 H new ATOM 145 N GLY A 25 10.032 -3.061 -7.802 1.00 0.00 N ATOM 146 CA GLY A 25 10.517 -4.426 -7.494 1.00 0.00 C ATOM 147 C GLY A 25 10.649 -4.593 -5.991 1.00 0.00 C ATOM 148 O GLY A 25 11.673 -5.017 -5.496 1.00 0.00 O ATOM 0 H GLY A 25 9.731 -2.515 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.825 -5.167 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.480 -4.598 -7.975 1.00 0.00 H new ATOM 152 N ASP A 26 9.600 -4.261 -5.299 1.00 0.00 N ATOM 153 CA ASP A 26 9.616 -4.382 -3.831 1.00 0.00 C ATOM 154 C ASP A 26 10.911 -3.795 -3.253 1.00 0.00 C ATOM 155 O ASP A 26 11.940 -4.444 -3.238 1.00 0.00 O ATOM 156 CB ASP A 26 9.506 -5.874 -3.488 1.00 0.00 C ATOM 157 CG ASP A 26 9.120 -6.658 -4.747 1.00 0.00 C ATOM 158 OD1 ASP A 26 7.945 -6.612 -5.075 1.00 0.00 O ATOM 159 OD2 ASP A 26 10.021 -7.257 -5.309 1.00 0.00 O ATOM 0 H ASP A 26 8.729 -3.909 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 26 8.784 -3.827 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.455 -6.239 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.759 -6.025 -2.709 1.00 0.00 H new ATOM 164 N ILE A 27 10.821 -2.562 -2.776 1.00 0.00 N ATOM 165 CA ILE A 27 12.031 -1.897 -2.192 1.00 0.00 C ATOM 166 C ILE A 27 11.834 -1.606 -0.701 1.00 0.00 C ATOM 167 O ILE A 27 11.454 -2.474 0.051 1.00 0.00 O ATOM 168 CB ILE A 27 12.295 -0.567 -2.942 1.00 0.00 C ATOM 169 CG1 ILE A 27 11.054 0.374 -2.894 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.673 -0.885 -4.408 1.00 0.00 C ATOM 171 CD1 ILE A 27 10.084 0.126 -4.073 1.00 0.00 C ATOM 0 H ILE A 27 9.970 -2.000 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 27 12.882 -2.569 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 27 13.116 -0.045 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.524 0.225 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.387 1.412 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.861 0.045 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.571 -1.503 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.854 -1.421 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.235 0.806 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.604 0.301 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.728 -0.904 -4.041 1.00 0.00 H new ATOM 183 N SER A 28 12.100 -0.386 -0.296 1.00 0.00 N ATOM 184 CA SER A 28 11.927 -0.053 1.133 1.00 0.00 C ATOM 185 C SER A 28 11.591 1.419 1.324 1.00 0.00 C ATOM 186 O SER A 28 11.642 2.198 0.391 1.00 0.00 O ATOM 187 CB SER A 28 13.241 -0.357 1.865 1.00 0.00 C ATOM 188 OG SER A 28 12.938 -0.107 3.232 1.00 0.00 O ATOM 0 H SER A 28 12.424 0.376 -0.892 1.00 0.00 H new ATOM 0 HA SER A 28 11.105 -0.647 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.556 -1.389 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.051 0.281 1.512 1.00 0.00 H new ATOM 0 HG SER A 28 13.732 -0.280 3.780 1.00 0.00 H new ATOM 194 N ARG A 29 11.249 1.773 2.536 1.00 0.00 N ATOM 195 CA ARG A 29 10.905 3.183 2.819 1.00 0.00 C ATOM 196 C ARG A 29 12.045 4.090 2.435 1.00 0.00 C ATOM 197 O ARG A 29 11.871 5.270 2.263 1.00 0.00 O ATOM 198 CB ARG A 29 10.638 3.334 4.314 1.00 0.00 C ATOM 199 CG ARG A 29 11.843 2.841 5.104 1.00 0.00 C ATOM 200 CD ARG A 29 11.404 2.619 6.537 1.00 0.00 C ATOM 201 NE ARG A 29 12.606 2.597 7.419 1.00 0.00 N ATOM 202 CZ ARG A 29 12.491 2.953 8.670 1.00 0.00 C ATOM 203 NH1 ARG A 29 12.470 4.225 8.967 1.00 0.00 N ATOM 204 NH2 ARG A 29 12.401 2.026 9.584 1.00 0.00 N ATOM 0 H ARG A 29 11.195 1.142 3.336 1.00 0.00 H new ATOM 0 HA ARG A 29 10.022 3.457 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.437 4.378 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.751 2.766 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.227 1.915 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.651 3.571 5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.724 3.412 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.859 1.679 6.622 1.00 0.00 H new ATOM 0 HE ARG A 29 13.511 2.306 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.543 4.923 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.381 4.520 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.421 1.042 9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.311 2.285 10.566 1.00 0.00 H new ATOM 218 N GLU A 30 13.195 3.521 2.304 1.00 0.00 N ATOM 219 CA GLU A 30 14.358 4.337 1.930 1.00 0.00 C ATOM 220 C GLU A 30 14.198 4.892 0.522 1.00 0.00 C ATOM 221 O GLU A 30 14.213 6.089 0.325 1.00 0.00 O ATOM 222 CB GLU A 30 15.606 3.447 1.978 1.00 0.00 C ATOM 223 CG GLU A 30 15.681 2.775 3.347 1.00 0.00 C ATOM 224 CD GLU A 30 17.113 2.298 3.599 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.537 1.439 2.843 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.700 2.817 4.533 1.00 0.00 O ATOM 0 H GLU A 30 13.379 2.527 2.440 1.00 0.00 H new ATOM 0 HA GLU A 30 14.448 5.173 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.563 2.695 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.501 4.043 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.376 3.475 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.992 1.932 3.389 1.00 0.00 H new ATOM 233 N GLU A 31 14.037 4.017 -0.432 1.00 0.00 N ATOM 234 CA GLU A 31 13.875 4.489 -1.825 1.00 0.00 C ATOM 235 C GLU A 31 12.474 5.042 -2.045 1.00 0.00 C ATOM 236 O GLU A 31 12.310 6.112 -2.587 1.00 0.00 O ATOM 237 CB GLU A 31 14.104 3.298 -2.761 1.00 0.00 C ATOM 238 CG GLU A 31 13.895 3.747 -4.202 1.00 0.00 C ATOM 239 CD GLU A 31 15.058 3.242 -5.057 1.00 0.00 C ATOM 240 OE1 GLU A 31 14.929 2.130 -5.543 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.008 3.997 -5.176 1.00 0.00 O ATOM 0 H GLU A 31 14.011 3.005 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 31 14.593 5.284 -2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.113 2.907 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.415 2.489 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.951 3.358 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.836 4.834 -4.252 1.00 0.00 H new ATOM 248 N VAL A 32 11.484 4.302 -1.634 1.00 0.00 N ATOM 249 CA VAL A 32 10.098 4.793 -1.819 1.00 0.00 C ATOM 250 C VAL A 32 10.022 6.253 -1.378 1.00 0.00 C ATOM 251 O VAL A 32 9.728 7.134 -2.158 1.00 0.00 O ATOM 252 CB VAL A 32 9.175 3.961 -0.910 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.930 4.780 -0.550 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.749 2.679 -1.638 1.00 0.00 C ATOM 0 H VAL A 32 11.575 3.391 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 32 9.800 4.705 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 32 9.713 3.698 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.279 4.188 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.230 5.687 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.394 5.047 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.096 2.093 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.215 2.940 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.633 2.092 -1.889 1.00 0.00 H new ATOM 264 N ASN A 33 10.307 6.465 -0.124 1.00 0.00 N ATOM 265 CA ASN A 33 10.272 7.844 0.434 1.00 0.00 C ATOM 266 C ASN A 33 11.119 8.830 -0.376 1.00 0.00 C ATOM 267 O ASN A 33 10.597 9.719 -1.020 1.00 0.00 O ATOM 268 CB ASN A 33 10.850 7.786 1.858 1.00 0.00 C ATOM 269 CG ASN A 33 10.641 9.135 2.548 1.00 0.00 C ATOM 270 OD1 ASN A 33 11.225 10.132 2.176 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.818 9.207 3.558 1.00 0.00 N ATOM 0 H ASN A 33 10.564 5.737 0.542 1.00 0.00 H new ATOM 0 HA ASN A 33 9.239 8.192 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.363 6.995 2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.912 7.545 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.668 10.098 4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.325 8.372 3.874 1.00 0.00 H new ATOM 278 N GLU A 34 12.414 8.655 -0.318 1.00 0.00 N ATOM 279 CA GLU A 34 13.322 9.573 -1.075 1.00 0.00 C ATOM 280 C GLU A 34 12.798 9.909 -2.469 1.00 0.00 C ATOM 281 O GLU A 34 13.218 10.882 -3.062 1.00 0.00 O ATOM 282 CB GLU A 34 14.729 8.912 -1.181 1.00 0.00 C ATOM 283 CG GLU A 34 14.893 8.160 -2.515 1.00 0.00 C ATOM 284 CD GLU A 34 15.284 9.140 -3.628 1.00 0.00 C ATOM 285 OE1 GLU A 34 16.116 9.985 -3.343 1.00 0.00 O ATOM 286 OE2 GLU A 34 14.729 8.983 -4.703 1.00 0.00 O ATOM 0 H GLU A 34 12.881 7.922 0.216 1.00 0.00 H new ATOM 0 HA GLU A 34 13.376 10.514 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.500 9.677 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.872 8.220 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.656 7.388 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.962 7.656 -2.774 1.00 0.00 H new ATOM 293 N LYS A 35 11.893 9.115 -2.964 1.00 0.00 N ATOM 294 CA LYS A 35 11.351 9.398 -4.323 1.00 0.00 C ATOM 295 C LYS A 35 10.051 10.179 -4.277 1.00 0.00 C ATOM 296 O LYS A 35 9.742 10.920 -5.191 1.00 0.00 O ATOM 297 CB LYS A 35 11.100 8.072 -5.020 1.00 0.00 C ATOM 298 CG LYS A 35 10.696 8.327 -6.478 1.00 0.00 C ATOM 299 CD LYS A 35 11.832 9.040 -7.223 1.00 0.00 C ATOM 300 CE LYS A 35 11.821 8.614 -8.691 1.00 0.00 C ATOM 301 NZ LYS A 35 12.412 9.682 -9.542 1.00 0.00 N ATOM 0 H LYS A 35 11.509 8.294 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 35 12.081 10.005 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.997 7.454 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.313 7.522 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.465 7.382 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.791 8.934 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.711 10.120 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.791 8.793 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.384 7.689 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.799 8.409 -9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.399 9.380 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.857 10.556 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.394 9.858 -9.247 1.00 0.00 H new ATOM 315 N LEU A 36 9.313 10.013 -3.230 1.00 0.00 N ATOM 316 CA LEU A 36 8.029 10.750 -3.131 1.00 0.00 C ATOM 317 C LEU A 36 8.209 12.094 -2.438 1.00 0.00 C ATOM 318 O LEU A 36 7.284 12.875 -2.349 1.00 0.00 O ATOM 319 CB LEU A 36 7.050 9.896 -2.327 1.00 0.00 C ATOM 320 CG LEU A 36 6.887 8.551 -3.038 1.00 0.00 C ATOM 321 CD1 LEU A 36 5.988 7.637 -2.201 1.00 0.00 C ATOM 322 CD2 LEU A 36 6.253 8.763 -4.415 1.00 0.00 C ATOM 0 H LEU A 36 9.536 9.405 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 36 7.652 10.940 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.421 9.747 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.087 10.400 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 36 7.867 8.090 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.872 6.679 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.441 7.478 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.010 8.103 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.140 7.801 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.274 9.228 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.893 9.411 -5.014 1.00 0.00 H new ATOM 334 N ARG A 37 9.396 12.344 -1.963 1.00 0.00 N ATOM 335 CA ARG A 37 9.641 13.634 -1.277 1.00 0.00 C ATOM 336 C ARG A 37 9.655 14.782 -2.278 1.00 0.00 C ATOM 337 O ARG A 37 9.649 15.939 -1.901 1.00 0.00 O ATOM 338 CB ARG A 37 11.009 13.559 -0.576 1.00 0.00 C ATOM 339 CG ARG A 37 12.123 13.482 -1.626 1.00 0.00 C ATOM 340 CD ARG A 37 12.823 14.841 -1.711 1.00 0.00 C ATOM 341 NE ARG A 37 13.889 14.776 -2.748 1.00 0.00 N ATOM 342 CZ ARG A 37 14.598 15.842 -3.000 1.00 0.00 C ATOM 343 NH1 ARG A 37 14.731 16.747 -2.068 1.00 0.00 N ATOM 344 NH2 ARG A 37 15.150 15.968 -4.175 1.00 0.00 N ATOM 0 H ARG A 37 10.198 11.716 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 37 8.845 13.814 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.153 14.434 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.048 12.685 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.840 12.706 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.707 13.211 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.103 15.620 -1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.254 15.103 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 37 14.063 13.909 -3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.284 16.614 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.282 17.587 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.024 15.240 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.708 16.794 -4.390 1.00 0.00 H new ATOM 358 N ASP A 38 9.676 14.437 -3.539 1.00 0.00 N ATOM 359 CA ASP A 38 9.689 15.486 -4.593 1.00 0.00 C ATOM 360 C ASP A 38 8.773 15.101 -5.746 1.00 0.00 C ATOM 361 O ASP A 38 9.229 14.771 -6.822 1.00 0.00 O ATOM 362 CB ASP A 38 11.123 15.623 -5.129 1.00 0.00 C ATOM 363 CG ASP A 38 11.185 16.798 -6.109 1.00 0.00 C ATOM 364 OD1 ASP A 38 10.601 17.814 -5.772 1.00 0.00 O ATOM 365 OD2 ASP A 38 11.812 16.611 -7.139 1.00 0.00 O ATOM 0 H ASP A 38 9.685 13.476 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 38 9.341 16.425 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.818 15.784 -4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.427 14.702 -5.627 1.00 0.00 H new ATOM 370 N THR A 39 7.493 15.153 -5.498 1.00 0.00 N ATOM 371 CA THR A 39 6.528 14.794 -6.565 1.00 0.00 C ATOM 372 C THR A 39 5.197 15.489 -6.338 1.00 0.00 C ATOM 373 O THR A 39 5.038 16.235 -5.391 1.00 0.00 O ATOM 374 CB THR A 39 6.302 13.280 -6.522 1.00 0.00 C ATOM 375 OG1 THR A 39 5.747 12.949 -7.779 1.00 0.00 O ATOM 376 CG2 THR A 39 5.204 12.918 -5.507 1.00 0.00 C ATOM 0 H THR A 39 7.079 15.427 -4.607 1.00 0.00 H new ATOM 0 HA THR A 39 6.929 15.105 -7.530 1.00 0.00 H new ATOM 0 HB THR A 39 7.235 12.775 -6.271 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.578 11.984 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.062 11.837 -5.495 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.500 13.256 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.271 13.404 -5.792 1.00 0.00 H new ATOM 384 N ALA A 40 4.261 15.236 -7.208 1.00 0.00 N ATOM 385 CA ALA A 40 2.939 15.877 -7.047 1.00 0.00 C ATOM 386 C ALA A 40 2.300 15.439 -5.741 1.00 0.00 C ATOM 387 O ALA A 40 2.984 15.007 -4.834 1.00 0.00 O ATOM 388 CB ALA A 40 2.039 15.443 -8.216 1.00 0.00 C ATOM 0 H ALA A 40 4.357 14.619 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 40 3.059 16.960 -7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.058 15.908 -8.112 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.490 15.755 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.929 14.359 -8.208 1.00 0.00 H new ATOM 394 N ASP A 41 0.998 15.556 -5.671 1.00 0.00 N ATOM 395 CA ASP A 41 0.283 15.152 -4.432 1.00 0.00 C ATOM 396 C ASP A 41 -0.671 13.999 -4.717 1.00 0.00 C ATOM 397 O ASP A 41 -1.873 14.133 -4.602 1.00 0.00 O ATOM 398 CB ASP A 41 -0.522 16.360 -3.922 1.00 0.00 C ATOM 399 CG ASP A 41 -0.816 16.180 -2.430 1.00 0.00 C ATOM 400 OD1 ASP A 41 0.083 15.706 -1.752 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.921 16.531 -2.050 1.00 0.00 O ATOM 0 H ASP A 41 0.404 15.914 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 41 1.007 14.827 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.039 17.280 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.454 16.452 -4.479 1.00 0.00 H new ATOM 406 N GLY A 42 -0.107 12.884 -5.083 1.00 0.00 N ATOM 407 CA GLY A 42 -0.950 11.694 -5.385 1.00 0.00 C ATOM 408 C GLY A 42 -0.129 10.657 -6.154 1.00 0.00 C ATOM 409 O GLY A 42 -0.433 10.336 -7.285 1.00 0.00 O ATOM 0 H GLY A 42 0.898 12.744 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.326 11.259 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.818 11.992 -5.973 1.00 0.00 H new ATOM 413 N THR A 43 0.897 10.157 -5.516 1.00 0.00 N ATOM 414 CA THR A 43 1.760 9.141 -6.179 1.00 0.00 C ATOM 415 C THR A 43 1.456 7.747 -5.642 1.00 0.00 C ATOM 416 O THR A 43 0.745 7.613 -4.674 1.00 0.00 O ATOM 417 CB THR A 43 3.198 9.481 -5.828 1.00 0.00 C ATOM 418 OG1 THR A 43 3.193 10.864 -5.543 1.00 0.00 O ATOM 419 CG2 THR A 43 4.113 9.338 -7.045 1.00 0.00 C ATOM 0 H THR A 43 1.172 10.409 -4.567 1.00 0.00 H new ATOM 0 HA THR A 43 1.585 9.150 -7.255 1.00 0.00 H new ATOM 0 HB THR A 43 3.542 8.834 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.046 11.368 -6.371 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.136 9.588 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.078 8.311 -7.408 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.779 10.013 -7.833 1.00 0.00 H new ATOM 427 N PHE A 44 2.000 6.724 -6.273 1.00 0.00 N ATOM 428 CA PHE A 44 1.723 5.348 -5.768 1.00 0.00 C ATOM 429 C PHE A 44 2.670 4.302 -6.336 1.00 0.00 C ATOM 430 O PHE A 44 2.886 4.219 -7.529 1.00 0.00 O ATOM 431 CB PHE A 44 0.276 4.964 -6.119 1.00 0.00 C ATOM 432 CG PHE A 44 0.097 4.844 -7.634 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.120 5.965 -8.435 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.181 3.613 -8.215 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.139 5.860 -9.784 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.442 3.517 -9.560 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.418 4.634 -10.343 1.00 0.00 C ATOM 0 H PHE A 44 2.606 6.785 -7.092 1.00 0.00 H new ATOM 0 HA PHE A 44 1.875 5.365 -4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.020 4.018 -5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.410 5.715 -5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.342 6.930 -8.003 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.192 2.723 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.123 6.743 -10.405 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.667 2.556 -9.998 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.618 4.556 -11.401 1.00 0.00 H new ATOM 447 N LEU A 45 3.220 3.518 -5.438 1.00 0.00 N ATOM 448 CA LEU A 45 4.162 2.450 -5.842 1.00 0.00 C ATOM 449 C LEU A 45 4.074 1.294 -4.835 1.00 0.00 C ATOM 450 O LEU A 45 3.241 1.325 -3.949 1.00 0.00 O ATOM 451 CB LEU A 45 5.603 3.012 -5.881 1.00 0.00 C ATOM 452 CG LEU A 45 5.768 4.148 -4.858 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.524 3.611 -3.450 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.196 4.679 -4.930 1.00 0.00 C ATOM 0 H LEU A 45 3.048 3.581 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 45 3.901 2.085 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.316 2.216 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.829 3.381 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 45 5.054 4.940 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.642 4.418 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.513 3.209 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.243 2.821 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.321 5.485 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.895 3.875 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.393 5.057 -5.933 1.00 0.00 H new ATOM 466 N VAL A 46 4.931 0.300 -4.975 1.00 0.00 N ATOM 467 CA VAL A 46 4.879 -0.857 -4.013 1.00 0.00 C ATOM 468 C VAL A 46 6.040 -0.842 -3.010 1.00 0.00 C ATOM 469 O VAL A 46 7.105 -0.324 -3.278 1.00 0.00 O ATOM 470 CB VAL A 46 4.909 -2.177 -4.853 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.910 -3.192 -4.276 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.519 -2.805 -4.825 1.00 0.00 C ATOM 0 H VAL A 46 5.649 0.240 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 46 3.965 -0.783 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 46 5.214 -1.928 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.903 -4.096 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.910 -2.759 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.627 -3.441 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.524 -3.727 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.241 -3.028 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.797 -2.110 -5.253 1.00 0.00 H new ATOM 482 N ARG A 47 5.779 -1.429 -1.864 1.00 0.00 N ATOM 483 CA ARG A 47 6.795 -1.501 -0.790 1.00 0.00 C ATOM 484 C ARG A 47 6.892 -2.946 -0.292 1.00 0.00 C ATOM 485 O ARG A 47 5.932 -3.495 0.213 1.00 0.00 O ATOM 486 CB ARG A 47 6.329 -0.575 0.363 1.00 0.00 C ATOM 487 CG ARG A 47 7.020 -0.950 1.693 1.00 0.00 C ATOM 488 CD ARG A 47 8.535 -0.950 1.508 1.00 0.00 C ATOM 489 NE ARG A 47 9.182 -0.821 2.846 1.00 0.00 N ATOM 490 CZ ARG A 47 8.895 -1.679 3.783 1.00 0.00 C ATOM 491 NH1 ARG A 47 7.770 -1.552 4.428 1.00 0.00 N ATOM 492 NH2 ARG A 47 9.747 -2.634 4.050 1.00 0.00 N ATOM 0 H ARG A 47 4.886 -1.865 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 47 7.773 -1.186 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.553 0.462 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.248 -0.649 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.740 -0.240 2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.685 -1.933 2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.856 -1.871 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.836 -0.126 0.862 1.00 0.00 H new ATOM 0 HE ARG A 47 9.844 -0.066 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.132 -0.791 4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.527 -2.214 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.621 -2.699 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.538 -3.314 4.781 1.00 0.00 H new ATOM 506 N ASP A 48 8.042 -3.527 -0.446 1.00 0.00 N ATOM 507 CA ASP A 48 8.225 -4.931 0.007 1.00 0.00 C ATOM 508 C ASP A 48 7.698 -5.165 1.417 1.00 0.00 C ATOM 509 O ASP A 48 7.876 -4.345 2.297 1.00 0.00 O ATOM 510 CB ASP A 48 9.730 -5.240 0.022 1.00 0.00 C ATOM 511 CG ASP A 48 9.974 -6.526 0.818 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.389 -7.524 0.430 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.732 -6.437 1.771 1.00 0.00 O ATOM 0 H ASP A 48 8.864 -3.093 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 48 7.670 -5.572 -0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.100 -5.354 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.279 -4.412 0.470 1.00 0.00 H new ATOM 518 N ALA A 49 7.052 -6.292 1.603 1.00 0.00 N ATOM 519 CA ALA A 49 6.511 -6.610 2.943 1.00 0.00 C ATOM 520 C ALA A 49 7.595 -7.330 3.750 1.00 0.00 C ATOM 521 O ALA A 49 7.934 -6.925 4.843 1.00 0.00 O ATOM 522 CB ALA A 49 5.302 -7.547 2.764 1.00 0.00 C ATOM 0 H ALA A 49 6.882 -6.995 0.884 1.00 0.00 H new ATOM 0 HA ALA A 49 6.208 -5.702 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.886 -7.795 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.542 -7.049 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.621 -8.461 2.263 1.00 0.00 H new ATOM 528 N SER A 50 8.117 -8.385 3.170 1.00 0.00 N ATOM 529 CA SER A 50 9.192 -9.180 3.843 1.00 0.00 C ATOM 530 C SER A 50 8.856 -9.583 5.283 1.00 0.00 C ATOM 531 O SER A 50 8.567 -10.731 5.551 1.00 0.00 O ATOM 532 CB SER A 50 10.463 -8.321 3.865 1.00 0.00 C ATOM 533 OG SER A 50 11.104 -8.624 2.633 1.00 0.00 O ATOM 0 H SER A 50 7.841 -8.732 2.251 1.00 0.00 H new ATOM 0 HA SER A 50 9.314 -10.105 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.226 -7.260 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.097 -8.568 4.716 1.00 0.00 H new ATOM 0 HG SER A 50 11.442 -7.798 2.228 1.00 0.00 H new ATOM 539 N THR A 51 8.929 -8.636 6.183 1.00 0.00 N ATOM 540 CA THR A 51 8.622 -8.942 7.609 1.00 0.00 C ATOM 541 C THR A 51 7.131 -9.170 7.835 1.00 0.00 C ATOM 542 O THR A 51 6.560 -8.657 8.777 1.00 0.00 O ATOM 543 CB THR A 51 9.073 -7.749 8.459 1.00 0.00 C ATOM 544 OG1 THR A 51 8.721 -8.080 9.785 1.00 0.00 O ATOM 545 CG2 THR A 51 8.240 -6.501 8.135 1.00 0.00 C ATOM 0 H THR A 51 9.187 -7.668 5.991 1.00 0.00 H new ATOM 0 HA THR A 51 9.145 -9.857 7.888 1.00 0.00 H new ATOM 0 HB THR A 51 10.132 -7.554 8.289 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.755 -7.964 9.906 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.579 -5.668 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.360 -6.247 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.189 -6.701 8.342 1.00 0.00 H new ATOM 553 N LYS A 52 6.531 -9.935 6.969 1.00 0.00 N ATOM 554 CA LYS A 52 5.084 -10.211 7.114 1.00 0.00 C ATOM 555 C LYS A 52 4.767 -11.645 6.700 1.00 0.00 C ATOM 556 O LYS A 52 3.943 -12.297 7.308 1.00 0.00 O ATOM 557 CB LYS A 52 4.313 -9.244 6.202 1.00 0.00 C ATOM 558 CG LYS A 52 3.042 -8.786 6.918 1.00 0.00 C ATOM 559 CD LYS A 52 3.395 -7.673 7.908 1.00 0.00 C ATOM 560 CE LYS A 52 3.192 -6.314 7.232 1.00 0.00 C ATOM 561 NZ LYS A 52 3.804 -5.227 8.046 1.00 0.00 N ATOM 0 H LYS A 52 6.982 -10.379 6.169 1.00 0.00 H new ATOM 0 HA LYS A 52 4.794 -10.077 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.935 -8.384 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.059 -9.735 5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.312 -8.426 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.584 -9.624 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.768 -7.748 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.429 -7.778 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.638 -6.326 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.127 -6.122 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.656 -4.313 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.360 -5.205 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.824 -5.403 8.149 1.00 0.00 H new ATOM 575 N MET A 53 5.438 -12.111 5.677 1.00 0.00 N ATOM 576 CA MET A 53 5.194 -13.501 5.204 1.00 0.00 C ATOM 577 C MET A 53 3.699 -13.832 5.220 1.00 0.00 C ATOM 578 O MET A 53 3.315 -14.973 5.393 1.00 0.00 O ATOM 579 CB MET A 53 5.945 -14.476 6.144 1.00 0.00 C ATOM 580 CG MET A 53 7.391 -14.633 5.657 1.00 0.00 C ATOM 581 SD MET A 53 8.461 -15.772 6.568 1.00 0.00 S ATOM 582 CE MET A 53 9.779 -15.870 5.331 1.00 0.00 C ATOM 0 H MET A 53 6.141 -11.589 5.153 1.00 0.00 H new ATOM 0 HA MET A 53 5.553 -13.598 4.179 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.932 -14.097 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.446 -15.445 6.157 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.362 -14.958 4.617 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.859 -13.649 5.670 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.565 -16.535 5.689 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.373 -16.258 4.397 1.00 0.00 H new ATOM 0 HE3 MET A 53 10.193 -14.876 5.161 1.00 0.00 H new ATOM 592 N HIS A 54 2.886 -12.822 5.033 1.00 0.00 N ATOM 593 CA HIS A 54 1.413 -13.050 5.032 1.00 0.00 C ATOM 594 C HIS A 54 0.756 -12.325 3.867 1.00 0.00 C ATOM 595 O HIS A 54 -0.377 -12.595 3.523 1.00 0.00 O ATOM 596 CB HIS A 54 0.837 -12.502 6.345 1.00 0.00 C ATOM 597 CG HIS A 54 0.374 -13.671 7.217 1.00 0.00 C ATOM 598 ND1 HIS A 54 0.895 -14.003 8.302 1.00 0.00 N ATOM 599 CD2 HIS A 54 -0.660 -14.563 7.017 1.00 0.00 C ATOM 600 CE1 HIS A 54 0.309 -15.005 8.811 1.00 0.00 C ATOM 601 NE2 HIS A 54 -0.703 -15.438 8.059 1.00 0.00 N ATOM 0 H HIS A 54 3.178 -11.857 4.882 1.00 0.00 H new ATOM 0 HA HIS A 54 1.217 -14.118 4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.591 -11.917 6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.001 -11.833 6.139 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.329 -14.566 6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.597 -15.457 9.749 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.340 -16.218 8.221 1.00 0.00 H new ATOM 609 N GLY A 55 1.480 -11.420 3.284 1.00 0.00 N ATOM 610 CA GLY A 55 0.918 -10.659 2.133 1.00 0.00 C ATOM 611 C GLY A 55 2.020 -10.351 1.118 1.00 0.00 C ATOM 612 O GLY A 55 3.168 -10.187 1.479 1.00 0.00 O ATOM 0 H GLY A 55 2.433 -11.172 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.126 -11.237 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.468 -9.731 2.486 1.00 0.00 H new ATOM 616 N ASP A 56 1.650 -10.277 -0.130 1.00 0.00 N ATOM 617 CA ASP A 56 2.664 -9.982 -1.162 1.00 0.00 C ATOM 618 C ASP A 56 3.548 -8.817 -0.728 1.00 0.00 C ATOM 619 O ASP A 56 4.696 -9.005 -0.380 1.00 0.00 O ATOM 620 CB ASP A 56 1.934 -9.606 -2.457 1.00 0.00 C ATOM 621 CG ASP A 56 2.260 -10.633 -3.541 1.00 0.00 C ATOM 622 OD1 ASP A 56 1.704 -11.715 -3.446 1.00 0.00 O ATOM 623 OD2 ASP A 56 3.047 -10.278 -4.405 1.00 0.00 O ATOM 0 H ASP A 56 0.698 -10.408 -0.471 1.00 0.00 H new ATOM 0 HA ASP A 56 3.295 -10.858 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.858 -9.572 -2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.236 -8.610 -2.782 1.00 0.00 H new ATOM 628 N TYR A 57 2.988 -7.637 -0.745 1.00 0.00 N ATOM 629 CA TYR A 57 3.763 -6.449 -0.344 1.00 0.00 C ATOM 630 C TYR A 57 2.903 -5.470 0.427 1.00 0.00 C ATOM 631 O TYR A 57 2.078 -5.848 1.233 1.00 0.00 O ATOM 632 CB TYR A 57 4.261 -5.753 -1.614 1.00 0.00 C ATOM 633 CG TYR A 57 4.891 -6.793 -2.539 1.00 0.00 C ATOM 634 CD1 TYR A 57 5.967 -7.540 -2.114 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.393 -6.996 -3.806 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.540 -8.473 -2.941 1.00 0.00 C ATOM 637 CE2 TYR A 57 4.966 -7.932 -4.637 1.00 0.00 C ATOM 638 CZ TYR A 57 6.046 -8.679 -4.212 1.00 0.00 C ATOM 639 OH TYR A 57 6.622 -9.615 -5.047 1.00 0.00 O ATOM 0 H TYR A 57 2.023 -7.454 -1.022 1.00 0.00 H new ATOM 0 HA TYR A 57 4.589 -6.766 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.434 -5.253 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.991 -4.984 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.363 -7.390 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.548 -6.418 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.384 -9.050 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.567 -8.083 -5.629 1.00 0.00 H new ATOM 0 HH TYR A 57 6.145 -9.627 -5.903 1.00 0.00 H new ATOM 649 N THR A 58 3.120 -4.228 0.158 1.00 0.00 N ATOM 650 CA THR A 58 2.353 -3.178 0.838 1.00 0.00 C ATOM 651 C THR A 58 2.220 -1.957 -0.061 1.00 0.00 C ATOM 652 O THR A 58 3.198 -1.322 -0.390 1.00 0.00 O ATOM 653 CB THR A 58 3.118 -2.789 2.093 1.00 0.00 C ATOM 654 OG1 THR A 58 2.548 -3.561 3.130 1.00 0.00 O ATOM 655 CG2 THR A 58 2.827 -1.334 2.488 1.00 0.00 C ATOM 0 H THR A 58 3.808 -3.892 -0.516 1.00 0.00 H new ATOM 0 HA THR A 58 1.355 -3.542 1.081 1.00 0.00 H new ATOM 0 HB THR A 58 4.187 -2.931 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.261 -4.428 2.773 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.387 -1.083 3.389 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.127 -0.670 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.760 -1.215 2.679 1.00 0.00 H new ATOM 663 N LEU A 59 1.021 -1.650 -0.451 1.00 0.00 N ATOM 664 CA LEU A 59 0.835 -0.471 -1.327 1.00 0.00 C ATOM 665 C LEU A 59 1.063 0.821 -0.547 1.00 0.00 C ATOM 666 O LEU A 59 0.577 0.972 0.550 1.00 0.00 O ATOM 667 CB LEU A 59 -0.612 -0.479 -1.858 1.00 0.00 C ATOM 668 CG LEU A 59 -0.610 -0.764 -3.368 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.209 -2.222 -3.607 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.015 -0.530 -3.924 1.00 0.00 C ATOM 0 H LEU A 59 0.171 -2.158 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 59 1.552 -0.520 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.197 -1.237 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.087 0.482 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 59 0.099 -0.103 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.207 -2.428 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.788 -2.396 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.922 -2.881 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.020 -0.731 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.719 -1.197 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.309 0.505 -3.747 1.00 0.00 H new ATOM 682 N THR A 60 1.812 1.723 -1.131 1.00 0.00 N ATOM 683 CA THR A 60 2.088 3.015 -0.447 1.00 0.00 C ATOM 684 C THR A 60 1.867 4.168 -1.417 1.00 0.00 C ATOM 685 O THR A 60 2.266 4.091 -2.562 1.00 0.00 O ATOM 686 CB THR A 60 3.544 3.015 0.018 1.00 0.00 C ATOM 687 OG1 THR A 60 3.494 2.678 1.388 1.00 0.00 O ATOM 688 CG2 THR A 60 4.138 4.434 -0.008 1.00 0.00 C ATOM 0 H THR A 60 2.242 1.617 -2.050 1.00 0.00 H new ATOM 0 HA THR A 60 1.419 3.135 0.405 1.00 0.00 H new ATOM 0 HB THR A 60 4.131 2.349 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.906 3.306 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.174 4.401 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.098 4.826 -1.024 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.563 5.081 0.654 1.00 0.00 H new ATOM 696 N LEU A 61 1.225 5.218 -0.949 1.00 0.00 N ATOM 697 CA LEU A 61 0.973 6.381 -1.853 1.00 0.00 C ATOM 698 C LEU A 61 1.216 7.714 -1.169 1.00 0.00 C ATOM 699 O LEU A 61 0.964 7.876 0.005 1.00 0.00 O ATOM 700 CB LEU A 61 -0.498 6.350 -2.342 1.00 0.00 C ATOM 701 CG LEU A 61 -1.297 5.255 -1.628 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.784 5.514 -1.862 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.931 3.866 -2.197 1.00 0.00 C ATOM 0 H LEU A 61 0.872 5.316 0.003 1.00 0.00 H new ATOM 0 HA LEU A 61 1.671 6.291 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.964 7.319 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.523 6.179 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.065 5.271 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.371 4.744 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.051 6.492 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.993 5.491 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.506 3.098 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.161 3.837 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.133 3.682 -2.051 1.00 0.00 H new ATOM 715 N ARG A 62 1.702 8.655 -1.941 1.00 0.00 N ATOM 716 CA ARG A 62 1.977 9.993 -1.391 1.00 0.00 C ATOM 717 C ARG A 62 0.701 10.809 -1.368 1.00 0.00 C ATOM 718 O ARG A 62 0.216 11.232 -2.409 1.00 0.00 O ATOM 719 CB ARG A 62 2.985 10.691 -2.309 1.00 0.00 C ATOM 720 CG ARG A 62 3.496 11.959 -1.620 1.00 0.00 C ATOM 721 CD ARG A 62 4.369 11.587 -0.406 1.00 0.00 C ATOM 722 NE ARG A 62 5.609 12.420 -0.433 1.00 0.00 N ATOM 723 CZ ARG A 62 6.370 12.484 0.629 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.959 11.400 1.054 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.515 13.635 1.231 1.00 0.00 N ATOM 0 H ARG A 62 1.917 8.541 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 62 2.369 9.902 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.817 10.023 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.516 10.943 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.075 12.557 -2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.654 12.572 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.820 11.757 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.625 10.528 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 62 5.861 12.936 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.823 10.518 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.555 11.434 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.039 14.462 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.104 13.706 2.061 1.00 0.00 H new ATOM 739 N LYS A 63 0.178 11.007 -0.181 1.00 0.00 N ATOM 740 CA LYS A 63 -1.076 11.794 -0.037 1.00 0.00 C ATOM 741 C LYS A 63 -0.834 13.074 0.756 1.00 0.00 C ATOM 742 O LYS A 63 -0.490 13.028 1.921 1.00 0.00 O ATOM 743 CB LYS A 63 -2.077 10.935 0.730 1.00 0.00 C ATOM 744 CG LYS A 63 -2.801 10.010 -0.248 1.00 0.00 C ATOM 745 CD LYS A 63 -3.440 8.850 0.531 1.00 0.00 C ATOM 746 CE LYS A 63 -4.836 8.577 -0.026 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.804 9.590 0.486 1.00 0.00 N ATOM 0 H LYS A 63 0.570 10.655 0.692 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.445 12.064 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.562 10.348 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.796 11.569 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.566 10.564 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.100 9.624 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.821 7.956 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.501 9.098 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.812 8.605 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.160 7.577 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.749 9.393 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.838 9.544 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.501 10.540 0.191 1.00 0.00 H new ATOM 761 N GLY A 64 -1.015 14.195 0.112 1.00 0.00 N ATOM 762 CA GLY A 64 -0.797 15.486 0.825 1.00 0.00 C ATOM 763 C GLY A 64 0.668 15.621 1.237 1.00 0.00 C ATOM 764 O GLY A 64 1.022 16.500 1.997 1.00 0.00 O ATOM 0 H GLY A 64 -1.301 14.273 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.079 16.318 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.436 15.535 1.707 1.00 0.00 H new ATOM 768 N GLY A 65 1.486 14.746 0.723 1.00 0.00 N ATOM 769 CA GLY A 65 2.935 14.799 1.068 1.00 0.00 C ATOM 770 C GLY A 65 3.263 13.740 2.120 1.00 0.00 C ATOM 771 O GLY A 65 4.412 13.506 2.431 1.00 0.00 O ATOM 0 H GLY A 65 1.217 14.000 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.536 14.633 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.191 15.789 1.445 1.00 0.00 H new ATOM 775 N ASN A 66 2.238 13.119 2.641 1.00 0.00 N ATOM 776 CA ASN A 66 2.458 12.074 3.671 1.00 0.00 C ATOM 777 C ASN A 66 2.393 10.681 3.056 1.00 0.00 C ATOM 778 O ASN A 66 1.368 10.275 2.546 1.00 0.00 O ATOM 779 CB ASN A 66 1.345 12.194 4.722 1.00 0.00 C ATOM 780 CG ASN A 66 1.858 11.678 6.068 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.140 12.442 6.970 1.00 0.00 O ATOM 782 ND2 ASN A 66 1.992 10.392 6.246 1.00 0.00 N ATOM 0 H ASN A 66 1.263 13.292 2.396 1.00 0.00 H new ATOM 0 HA ASN A 66 3.443 12.215 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.028 13.233 4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.472 11.621 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.332 10.033 7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.757 9.746 5.493 1.00 0.00 H new ATOM 789 N ASN A 67 3.485 9.974 3.113 1.00 0.00 N ATOM 790 CA ASN A 67 3.491 8.616 2.537 1.00 0.00 C ATOM 791 C ASN A 67 2.533 7.718 3.306 1.00 0.00 C ATOM 792 O ASN A 67 2.783 7.371 4.444 1.00 0.00 O ATOM 793 CB ASN A 67 4.912 8.041 2.653 1.00 0.00 C ATOM 794 CG ASN A 67 5.721 8.870 3.649 1.00 0.00 C ATOM 795 OD1 ASN A 67 6.393 9.815 3.287 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.684 8.552 4.915 1.00 0.00 N ATOM 0 H ASN A 67 4.364 10.280 3.531 1.00 0.00 H new ATOM 0 HA ASN A 67 3.179 8.663 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.869 7.002 2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.399 8.049 1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.217 9.096 5.593 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.122 7.760 5.226 1.00 0.00 H new ATOM 803 N LYS A 68 1.457 7.353 2.674 1.00 0.00 N ATOM 804 CA LYS A 68 0.479 6.484 3.355 1.00 0.00 C ATOM 805 C LYS A 68 0.824 5.019 3.140 1.00 0.00 C ATOM 806 O LYS A 68 1.457 4.670 2.164 1.00 0.00 O ATOM 807 CB LYS A 68 -0.899 6.764 2.754 1.00 0.00 C ATOM 808 CG LYS A 68 -1.975 6.314 3.732 1.00 0.00 C ATOM 809 CD LYS A 68 -3.136 5.723 2.944 1.00 0.00 C ATOM 810 CE LYS A 68 -4.306 5.463 3.895 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.205 4.415 3.339 1.00 0.00 N ATOM 0 H LYS A 68 1.218 7.620 1.719 1.00 0.00 H new ATOM 0 HA LYS A 68 0.491 6.690 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.006 7.828 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.009 6.237 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.572 5.574 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.316 7.157 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.440 6.408 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.829 4.794 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.929 5.148 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.866 6.385 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.038 4.310 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.512 4.691 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.695 3.510 3.290 1.00 0.00 H new ATOM 825 N LEU A 69 0.397 4.190 4.064 1.00 0.00 N ATOM 826 CA LEU A 69 0.687 2.735 3.945 1.00 0.00 C ATOM 827 C LEU A 69 -0.594 1.919 3.806 1.00 0.00 C ATOM 828 O LEU A 69 -1.542 2.109 4.543 1.00 0.00 O ATOM 829 CB LEU A 69 1.414 2.291 5.225 1.00 0.00 C ATOM 830 CG LEU A 69 1.681 0.784 5.159 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.125 0.509 5.587 1.00 0.00 C ATOM 832 CD2 LEU A 69 0.727 0.063 6.116 1.00 0.00 C ATOM 0 H LEU A 69 -0.137 4.462 4.890 1.00 0.00 H new ATOM 0 HA LEU A 69 1.295 2.569 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.353 2.834 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.809 2.527 6.101 1.00 0.00 H new ATOM 0 HG LEU A 69 1.524 0.426 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.320 -0.562 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.809 1.031 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.276 0.862 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.912 -1.010 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.893 0.420 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.303 0.265 5.824 1.00 0.00 H new ATOM 844 N ILE A 70 -0.586 1.023 2.854 1.00 0.00 N ATOM 845 CA ILE A 70 -1.776 0.161 2.620 1.00 0.00 C ATOM 846 C ILE A 70 -1.319 -1.285 2.438 1.00 0.00 C ATOM 847 O ILE A 70 -0.432 -1.561 1.656 1.00 0.00 O ATOM 848 CB ILE A 70 -2.490 0.646 1.353 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.229 1.940 1.661 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.524 -0.408 0.919 1.00 0.00 C ATOM 851 CD1 ILE A 70 -2.999 2.930 0.527 1.00 0.00 C ATOM 0 H ILE A 70 0.200 0.852 2.226 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.458 0.216 3.469 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.757 0.806 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.295 1.745 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.876 2.359 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.035 -0.067 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.018 -1.352 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.253 -0.553 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.526 3.859 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.932 3.132 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.374 2.508 -0.406 1.00 0.00 H new ATOM 863 N LYS A 71 -1.933 -2.182 3.159 1.00 0.00 N ATOM 864 CA LYS A 71 -1.538 -3.611 3.040 1.00 0.00 C ATOM 865 C LYS A 71 -2.267 -4.339 1.910 1.00 0.00 C ATOM 866 O LYS A 71 -3.358 -3.975 1.519 1.00 0.00 O ATOM 867 CB LYS A 71 -1.874 -4.308 4.365 1.00 0.00 C ATOM 868 CG LYS A 71 -0.934 -3.788 5.453 1.00 0.00 C ATOM 869 CD LYS A 71 -1.404 -4.306 6.811 1.00 0.00 C ATOM 870 CE LYS A 71 -2.313 -3.260 7.460 1.00 0.00 C ATOM 871 NZ LYS A 71 -1.537 -2.037 7.810 1.00 0.00 N ATOM 0 H LYS A 71 -2.685 -1.988 3.820 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.472 -3.645 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.911 -4.115 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.768 -5.388 4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.086 -4.118 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.922 -2.698 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.941 -5.247 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.547 -4.509 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.123 -3.001 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.772 -3.675 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.942 -1.601 8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.546 -2.295 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.581 -1.360 7.021 1.00 0.00 H new ATOM 885 N ILE A 72 -1.620 -5.363 1.413 1.00 0.00 N ATOM 886 CA ILE A 72 -2.204 -6.172 0.310 1.00 0.00 C ATOM 887 C ILE A 72 -2.686 -7.511 0.877 1.00 0.00 C ATOM 888 O ILE A 72 -1.950 -8.171 1.585 1.00 0.00 O ATOM 889 CB ILE A 72 -1.071 -6.417 -0.712 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.049 -5.305 -1.775 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.262 -7.790 -1.398 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.133 -5.539 -2.845 1.00 0.00 C ATOM 0 H ILE A 72 -0.702 -5.673 1.731 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.047 -5.664 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.121 -6.410 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.208 -4.338 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.068 -5.270 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.458 -7.953 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.242 -8.579 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.221 -7.808 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.094 -4.738 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.958 -6.495 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.115 -5.549 -2.372 1.00 0.00 H new ATOM 904 N PHE A 73 -3.910 -7.899 0.558 1.00 0.00 N ATOM 905 CA PHE A 73 -4.414 -9.196 1.095 1.00 0.00 C ATOM 906 C PHE A 73 -4.253 -10.323 0.074 1.00 0.00 C ATOM 907 O PHE A 73 -5.067 -10.496 -0.811 1.00 0.00 O ATOM 908 CB PHE A 73 -5.910 -9.047 1.472 1.00 0.00 C ATOM 909 CG PHE A 73 -6.288 -7.558 1.561 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.482 -6.662 2.244 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.431 -7.090 0.937 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.812 -5.321 2.297 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.759 -5.748 0.991 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.948 -4.866 1.670 1.00 0.00 C ATOM 0 H PHE A 73 -4.559 -7.382 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.827 -9.453 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.532 -9.544 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.103 -9.537 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.589 -7.014 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.071 -7.778 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.177 -4.630 2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.652 -5.391 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.204 -3.818 1.710 1.00 0.00 H new ATOM 924 N HIS A 74 -3.182 -11.060 0.228 1.00 0.00 N ATOM 925 CA HIS A 74 -2.901 -12.191 -0.693 1.00 0.00 C ATOM 926 C HIS A 74 -3.081 -13.518 0.054 1.00 0.00 C ATOM 927 O HIS A 74 -3.200 -13.525 1.264 1.00 0.00 O ATOM 928 CB HIS A 74 -1.437 -12.058 -1.152 1.00 0.00 C ATOM 929 CG HIS A 74 -0.792 -13.438 -1.225 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.886 -14.397 -2.208 1.00 0.00 N flip ATOM 931 CD2 HIS A 74 -0.045 -13.926 -0.351 1.00 0.00 C flip ATOM 932 CE1 HIS A 74 -0.145 -15.482 -1.847 1.00 0.00 C flip ATOM 933 NE2 HIS A 74 0.344 -15.089 -0.669 1.00 0.00 N flip ATOM 0 H HIS A 74 -2.487 -10.921 0.961 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.580 -12.172 -1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.395 -11.574 -2.128 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.885 -11.424 -0.458 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -1.425 -14.309 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.234 -13.420 0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.006 -16.412 -2.374 1.00 0.00 H new ATOM 941 N ARG A 75 -3.103 -14.615 -0.671 1.00 0.00 N ATOM 942 CA ARG A 75 -3.275 -15.933 0.010 1.00 0.00 C ATOM 943 C ARG A 75 -2.374 -17.009 -0.597 1.00 0.00 C ATOM 944 O ARG A 75 -1.241 -17.169 -0.189 1.00 0.00 O ATOM 945 CB ARG A 75 -4.739 -16.367 -0.138 1.00 0.00 C ATOM 946 CG ARG A 75 -4.920 -17.727 0.536 1.00 0.00 C ATOM 947 CD ARG A 75 -6.366 -17.862 1.018 1.00 0.00 C ATOM 948 NE ARG A 75 -6.687 -19.307 1.191 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.922 -19.664 1.415 1.00 0.00 C ATOM 950 NH1 ARG A 75 -8.516 -19.234 2.494 1.00 0.00 N ATOM 951 NH2 ARG A 75 -8.522 -20.438 0.554 1.00 0.00 N ATOM 0 H ARG A 75 -3.011 -14.652 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.999 -15.818 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.399 -15.629 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.010 -16.429 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.681 -18.528 -0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.233 -17.824 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.500 -17.331 1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.047 -17.409 0.298 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.949 -20.009 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.015 -18.629 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.481 -19.502 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.026 -20.755 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.487 -20.727 0.714 1.00 0.00 H new ATOM 965 N ASP A 76 -2.891 -17.732 -1.554 1.00 0.00 N ATOM 966 CA ASP A 76 -2.069 -18.795 -2.185 1.00 0.00 C ATOM 967 C ASP A 76 -1.287 -18.261 -3.380 1.00 0.00 C ATOM 968 O ASP A 76 -0.238 -18.774 -3.714 1.00 0.00 O ATOM 969 CB ASP A 76 -3.009 -19.907 -2.659 1.00 0.00 C ATOM 970 CG ASP A 76 -2.560 -21.241 -2.062 1.00 0.00 C ATOM 971 OD1 ASP A 76 -2.864 -21.442 -0.897 1.00 0.00 O ATOM 972 OD2 ASP A 76 -1.938 -21.984 -2.803 1.00 0.00 O ATOM 0 H ASP A 76 -3.838 -17.632 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.352 -19.167 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.033 -19.687 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.004 -19.963 -3.748 1.00 0.00 H new ATOM 977 N GLY A 77 -1.808 -17.242 -4.008 1.00 0.00 N ATOM 978 CA GLY A 77 -1.096 -16.670 -5.189 1.00 0.00 C ATOM 979 C GLY A 77 -1.918 -15.543 -5.815 1.00 0.00 C ATOM 980 O GLY A 77 -1.464 -14.864 -6.715 1.00 0.00 O ATOM 0 H GLY A 77 -2.685 -16.785 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.121 -16.291 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.918 -17.452 -5.927 1.00 0.00 H new ATOM 984 N LYS A 78 -3.114 -15.373 -5.325 1.00 0.00 N ATOM 985 CA LYS A 78 -3.984 -14.307 -5.869 1.00 0.00 C ATOM 986 C LYS A 78 -3.850 -13.027 -5.048 1.00 0.00 C ATOM 987 O LYS A 78 -3.011 -12.934 -4.178 1.00 0.00 O ATOM 988 CB LYS A 78 -5.472 -14.778 -5.836 1.00 0.00 C ATOM 989 CG LYS A 78 -5.666 -15.991 -4.908 1.00 0.00 C ATOM 990 CD LYS A 78 -5.367 -17.278 -5.691 1.00 0.00 C ATOM 991 CE LYS A 78 -5.546 -18.477 -4.764 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.994 -18.769 -4.563 1.00 0.00 N ATOM 0 H LYS A 78 -3.522 -15.928 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.677 -14.104 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.106 -13.958 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.794 -15.037 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.004 -15.914 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.687 -16.012 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.036 -17.361 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.350 -17.253 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.048 -19.349 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.073 -18.275 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.098 -19.646 -4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.438 -17.983 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.457 -18.882 -5.487 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.683 -12.060 -5.349 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.628 -10.775 -4.604 1.00 0.00 C ATOM 1008 C TYR A 79 -5.989 -10.400 -4.077 1.00 0.00 C ATOM 1009 O TYR A 79 -6.996 -10.718 -4.671 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.170 -9.676 -5.562 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.681 -9.823 -5.799 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.772 -9.262 -4.928 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -2.225 -10.523 -6.886 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.422 -9.404 -5.148 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.878 -10.668 -7.111 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.041 -10.108 -6.244 1.00 0.00 C ATOM 1017 OH TYR A 79 1.396 -10.252 -6.468 1.00 0.00 O ATOM 0 H TYR A 79 -5.395 -12.110 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.939 -10.886 -3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.711 -9.748 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.390 -8.694 -5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.121 -8.708 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.932 -10.965 -7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.282 -8.962 -4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.535 -11.223 -7.971 1.00 0.00 H new ATOM 0 HH TYR A 79 1.894 -9.729 -5.805 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.985 -9.719 -2.973 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.260 -9.292 -2.358 1.00 0.00 C ATOM 1029 C GLY A 80 -7.256 -7.792 -2.209 1.00 0.00 C ATOM 1030 O GLY A 80 -6.483 -7.244 -1.448 1.00 0.00 O ATOM 0 H GLY A 80 -5.145 -9.438 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.100 -9.606 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.386 -9.767 -1.385 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.104 -7.158 -2.952 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.183 -5.695 -2.887 1.00 0.00 C ATOM 1036 C PHE A 81 -9.608 -5.248 -3.150 1.00 0.00 C ATOM 1037 O PHE A 81 -10.028 -4.187 -2.730 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.276 -5.124 -3.981 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.371 -4.061 -3.372 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.418 -4.403 -2.434 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.530 -2.732 -3.712 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.645 -3.434 -1.840 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.755 -1.763 -3.116 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.813 -2.117 -2.178 1.00 0.00 C ATOM 0 H PHE A 81 -8.750 -7.600 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.873 -5.346 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.677 -5.919 -4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.877 -4.693 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.279 -5.440 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.267 -2.451 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.904 -3.711 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.886 -0.725 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.206 -1.357 -1.708 1.00 0.00 H new ATOM 1054 N SER A 82 -10.320 -6.084 -3.849 1.00 0.00 N ATOM 1055 CA SER A 82 -11.736 -5.772 -4.181 1.00 0.00 C ATOM 1056 C SER A 82 -12.625 -6.974 -3.914 1.00 0.00 C ATOM 1057 O SER A 82 -13.405 -6.989 -2.982 1.00 0.00 O ATOM 1058 CB SER A 82 -11.814 -5.435 -5.677 1.00 0.00 C ATOM 1059 OG SER A 82 -10.866 -6.307 -6.277 1.00 0.00 O ATOM 0 H SER A 82 -9.980 -6.976 -4.207 1.00 0.00 H new ATOM 0 HA SER A 82 -12.073 -4.937 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.816 -5.603 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.569 -4.390 -5.864 1.00 0.00 H new ATOM 0 HG SER A 82 -11.153 -6.525 -7.188 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.487 -7.954 -4.746 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.302 -9.185 -4.589 1.00 0.00 C ATOM 1067 C ASP A 83 -12.603 -10.161 -3.626 1.00 0.00 C ATOM 1068 O ASP A 83 -11.451 -9.973 -3.300 1.00 0.00 O ATOM 1069 CB ASP A 83 -13.419 -9.835 -5.981 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.874 -9.762 -6.460 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -15.410 -8.665 -6.403 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -15.367 -10.805 -6.855 1.00 0.00 O ATOM 0 H ASP A 83 -11.841 -7.960 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.284 -8.945 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.766 -9.324 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.091 -10.874 -5.938 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.322 -11.192 -3.171 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.738 -12.177 -2.249 1.00 0.00 C ATOM 1079 C PRO A 84 -11.611 -12.973 -2.941 1.00 0.00 C ATOM 1080 O PRO A 84 -11.749 -14.151 -3.210 1.00 0.00 O ATOM 1081 CB PRO A 84 -13.928 -13.113 -1.875 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.126 -12.726 -2.795 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.738 -11.429 -3.530 1.00 0.00 C ATOM 0 HA PRO A 84 -12.287 -11.710 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.655 -14.158 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.195 -12.995 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.337 -13.523 -3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.031 -12.578 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.859 -11.535 -4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.368 -10.596 -3.219 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.509 -12.300 -3.204 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.362 -12.980 -3.873 1.00 0.00 C ATOM 1093 C LEU A 85 -9.867 -13.949 -4.940 1.00 0.00 C ATOM 1094 O LEU A 85 -9.800 -15.151 -4.773 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.546 -13.761 -2.801 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.664 -12.777 -1.979 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.259 -12.587 -0.592 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.255 -13.346 -1.822 1.00 0.00 C ATOM 0 H LEU A 85 -10.361 -11.315 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.730 -12.233 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.223 -14.297 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.917 -14.508 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.625 -11.824 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.638 -11.897 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.266 -12.180 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.300 -13.548 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.644 -12.651 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.305 -14.303 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.809 -13.491 -2.806 1.00 0.00 H new ATOM 1110 N THR A 86 -10.371 -13.390 -6.024 1.00 0.00 N ATOM 1111 CA THR A 86 -10.893 -14.250 -7.124 1.00 0.00 C ATOM 1112 C THR A 86 -10.440 -13.752 -8.507 1.00 0.00 C ATOM 1113 O THR A 86 -10.491 -14.490 -9.470 1.00 0.00 O ATOM 1114 CB THR A 86 -12.426 -14.210 -7.068 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.738 -13.580 -5.841 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.009 -15.626 -6.929 1.00 0.00 C ATOM 0 H THR A 86 -10.439 -12.385 -6.186 1.00 0.00 H new ATOM 0 HA THR A 86 -10.507 -15.260 -6.988 1.00 0.00 H new ATOM 0 HB THR A 86 -12.814 -13.723 -7.963 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.711 -13.520 -5.742 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.097 -15.570 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.706 -16.230 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.638 -16.084 -6.012 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.006 -12.513 -8.586 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.555 -11.992 -9.916 1.00 0.00 C ATOM 1126 C PHE A 87 -8.183 -12.544 -10.254 1.00 0.00 C ATOM 1127 O PHE A 87 -7.878 -12.823 -11.397 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.497 -10.444 -9.888 1.00 0.00 C ATOM 1129 CG PHE A 87 -9.113 -9.937 -8.491 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -10.017 -9.997 -7.443 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.870 -9.370 -8.271 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.683 -9.495 -6.203 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.541 -8.868 -7.029 1.00 0.00 C ATOM 1134 CZ PHE A 87 -8.445 -8.930 -6.000 1.00 0.00 C ATOM 0 H PHE A 87 -9.946 -11.856 -7.808 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.268 -12.312 -10.676 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.772 -10.090 -10.620 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.465 -10.034 -10.175 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.990 -10.440 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.153 -9.320 -9.077 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.393 -9.545 -5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.569 -8.425 -6.867 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.185 -8.535 -5.029 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.389 -12.696 -9.245 1.00 0.00 N ATOM 1145 CA ASN A 88 -6.008 -13.238 -9.440 1.00 0.00 C ATOM 1146 C ASN A 88 -5.059 -12.289 -10.187 1.00 0.00 C ATOM 1147 O ASN A 88 -4.162 -12.748 -10.867 1.00 0.00 O ATOM 1148 CB ASN A 88 -6.107 -14.549 -10.249 1.00 0.00 C ATOM 1149 CG ASN A 88 -7.428 -15.261 -9.935 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -7.686 -15.612 -8.708 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -8.237 -15.501 -10.809 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.630 -12.469 -8.280 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.590 -13.386 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.045 -14.333 -11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.267 -15.200 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.042 -15.229 -11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.111 -15.974 -10.579 1.00 0.00 H new ATOM 1158 N SER A 89 -5.248 -10.999 -10.070 1.00 0.00 N ATOM 1159 CA SER A 89 -4.312 -10.095 -10.799 1.00 0.00 C ATOM 1160 C SER A 89 -4.451 -8.644 -10.382 1.00 0.00 C ATOM 1161 O SER A 89 -5.543 -8.099 -10.283 1.00 0.00 O ATOM 1162 CB SER A 89 -4.569 -10.204 -12.295 1.00 0.00 C ATOM 1163 OG SER A 89 -5.777 -10.947 -12.394 1.00 0.00 O ATOM 0 H SER A 89 -5.981 -10.547 -9.523 1.00 0.00 H new ATOM 0 HA SER A 89 -3.300 -10.413 -10.549 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.669 -9.220 -12.754 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.748 -10.710 -12.803 1.00 0.00 H new ATOM 0 HG SER A 89 -6.015 -11.061 -13.338 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.323 -8.034 -10.188 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.316 -6.616 -9.777 1.00 0.00 C ATOM 1171 C VAL A 90 -3.399 -5.721 -10.983 1.00 0.00 C ATOM 1172 O VAL A 90 -4.102 -4.731 -10.982 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.002 -6.332 -9.037 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.207 -5.159 -8.077 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.598 -7.572 -8.238 1.00 0.00 C ATOM 0 H VAL A 90 -2.403 -8.460 -10.297 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.174 -6.422 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.220 -6.086 -9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.276 -4.954 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.507 -4.276 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.985 -5.411 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.665 -7.376 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.380 -7.811 -7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.461 -8.414 -8.917 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.688 -6.082 -11.994 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.714 -5.264 -13.210 1.00 0.00 C ATOM 1187 C VAL A 91 -4.128 -5.163 -13.706 1.00 0.00 C ATOM 1188 O VAL A 91 -4.508 -4.188 -14.302 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.825 -5.945 -14.269 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.243 -4.893 -15.227 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.682 -6.662 -13.555 1.00 0.00 C ATOM 0 H VAL A 91 -2.091 -6.908 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.341 -4.260 -13.008 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.420 -6.655 -14.844 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.617 -5.385 -15.971 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.056 -4.367 -15.728 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.643 -4.179 -14.663 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.043 -7.150 -14.291 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.096 -5.938 -12.988 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.090 -7.410 -12.876 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.886 -6.183 -13.444 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.296 -6.174 -13.886 1.00 0.00 C ATOM 1203 C GLU A 92 -7.063 -5.201 -13.020 1.00 0.00 C ATOM 1204 O GLU A 92 -7.800 -4.365 -13.505 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.886 -7.581 -13.685 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.408 -7.510 -13.779 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.944 -8.822 -14.357 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.966 -8.909 -15.573 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -9.300 -9.663 -13.547 1.00 0.00 O ATOM 0 H GLU A 92 -4.589 -7.021 -12.943 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.362 -5.885 -14.935 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.495 -8.263 -14.440 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.589 -7.977 -12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.836 -7.333 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.706 -6.673 -14.411 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.862 -5.333 -11.738 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.553 -4.438 -10.788 1.00 0.00 C ATOM 1218 C LEU A 93 -7.043 -3.011 -10.941 1.00 0.00 C ATOM 1219 O LEU A 93 -7.747 -2.144 -11.432 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.234 -4.955 -9.362 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.803 -4.007 -8.297 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.712 -4.800 -7.368 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.649 -3.422 -7.472 1.00 0.00 C ATOM 0 H LEU A 93 -6.246 -6.026 -11.313 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.627 -4.435 -10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.654 -5.952 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.155 -5.045 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.361 -3.204 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.122 -4.136 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.527 -5.239 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.139 -5.593 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.049 -2.748 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.102 -4.230 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.975 -2.871 -8.128 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.833 -2.792 -10.510 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.257 -1.443 -10.617 1.00 0.00 C ATOM 1237 C ILE A 94 -5.598 -0.811 -11.965 1.00 0.00 C ATOM 1238 O ILE A 94 -5.814 0.378 -12.049 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.725 -1.565 -10.435 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.253 -0.683 -9.269 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.967 -1.142 -11.722 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.604 0.806 -9.509 1.00 0.00 C ATOM 0 H ILE A 94 -5.225 -3.495 -10.090 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.674 -0.795 -9.846 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.505 -2.611 -10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.716 -1.023 -8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.175 -0.789 -9.144 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.893 -1.239 -11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.269 -1.784 -12.550 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.205 -0.106 -11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.256 1.402 -8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.119 1.152 -10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.684 0.914 -9.609 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.637 -1.615 -13.000 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.967 -1.049 -14.333 1.00 0.00 C ATOM 1256 C ASN A 95 -7.337 -0.410 -14.292 1.00 0.00 C ATOM 1257 O ASN A 95 -7.517 0.726 -14.703 1.00 0.00 O ATOM 1258 CB ASN A 95 -6.003 -2.184 -15.366 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.857 -1.750 -16.561 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -7.828 -2.527 -16.958 1.00 0.00 O flip ATOM 1261 ND2 ASN A 95 -6.647 -0.703 -17.141 1.00 0.00 N flip ATOM 0 H ASN A 95 -5.458 -2.619 -12.976 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.215 -0.307 -14.601 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.992 -2.425 -15.695 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.416 -3.087 -14.917 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.889 -0.093 -16.834 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.228 -0.434 -17.935 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.287 -1.152 -13.788 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.656 -0.616 -13.707 1.00 0.00 C ATOM 1270 C HIS A 96 -9.689 0.633 -12.847 1.00 0.00 C ATOM 1271 O HIS A 96 -10.635 1.390 -12.893 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.553 -1.686 -13.075 1.00 0.00 C ATOM 1273 CG HIS A 96 -10.672 -2.868 -14.039 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -10.161 -2.911 -15.177 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.325 -4.073 -13.881 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -10.415 -4.007 -15.760 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -11.159 -4.820 -15.008 1.00 0.00 N ATOM 0 H HIS A 96 -8.165 -2.100 -13.433 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.005 -0.358 -14.707 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.133 -2.016 -12.125 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.539 -1.273 -12.862 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.879 -4.375 -13.005 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.069 -4.255 -16.753 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -11.510 -5.754 -15.221 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.650 0.824 -12.068 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.604 2.027 -11.192 1.00 0.00 C ATOM 1287 C TYR A 97 -7.701 3.104 -11.773 1.00 0.00 C ATOM 1288 O TYR A 97 -7.861 4.272 -11.478 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.060 1.613 -9.821 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.219 1.115 -8.955 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.262 1.958 -8.630 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.243 -0.183 -8.497 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.311 1.511 -7.863 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.292 -0.631 -7.730 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.336 0.209 -7.405 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.383 -0.243 -6.633 1.00 0.00 O ATOM 0 H TYR A 97 -7.843 0.204 -12.004 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.612 2.433 -11.109 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.311 0.829 -9.934 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.567 2.458 -9.341 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.254 2.979 -8.982 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.433 -0.854 -8.742 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.121 2.182 -7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.299 -1.652 -7.378 1.00 0.00 H new ATOM 0 HH TYR A 97 -13.207 0.215 -6.899 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.767 2.702 -12.584 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.859 3.705 -13.179 1.00 0.00 C ATOM 1308 C ARG A 98 -6.634 4.612 -14.117 1.00 0.00 C ATOM 1309 O ARG A 98 -6.370 5.785 -14.205 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.766 2.970 -13.975 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.389 3.332 -13.396 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.309 2.466 -14.060 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.025 2.999 -15.422 1.00 0.00 N ATOM 1314 CZ ARG A 98 -0.971 3.745 -15.612 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.917 4.919 -15.041 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.005 3.293 -16.363 1.00 0.00 N ATOM 0 H ARG A 98 -6.597 1.734 -12.856 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.412 4.308 -12.389 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.924 1.893 -13.923 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.816 3.249 -15.027 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.178 4.388 -13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.384 3.175 -12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.401 2.471 -13.458 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.644 1.431 -14.124 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.649 2.783 -16.199 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.691 5.239 -14.458 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.101 5.516 -15.178 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.081 2.370 -16.791 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.826 3.862 -16.522 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.590 4.046 -14.797 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.397 4.863 -15.737 1.00 0.00 C ATOM 1332 C ASN A 99 -9.577 5.508 -15.019 1.00 0.00 C ATOM 1333 O ASN A 99 -10.143 6.474 -15.490 1.00 0.00 O ATOM 1334 CB ASN A 99 -8.940 3.939 -16.825 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.316 4.317 -18.172 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.569 3.560 -18.756 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -8.600 5.478 -18.696 1.00 0.00 N ATOM 0 H ASN A 99 -7.845 3.060 -14.742 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.769 5.648 -16.157 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.710 2.901 -16.584 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.026 4.021 -16.879 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.195 5.746 -19.593 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.227 6.118 -18.209 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.920 4.949 -13.889 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.061 5.493 -13.101 1.00 0.00 C ATOM 1346 C GLU A 100 -10.581 6.224 -11.848 1.00 0.00 C ATOM 1347 O GLU A 100 -10.102 7.337 -11.924 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.947 4.313 -12.676 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.497 3.629 -13.929 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.839 2.973 -13.598 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.769 3.728 -13.367 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -13.859 1.753 -13.595 1.00 0.00 O ATOM 0 H GLU A 100 -9.458 4.138 -13.478 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.608 6.205 -13.718 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.371 3.604 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.766 4.664 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.623 4.358 -14.730 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.791 2.880 -14.288 1.00 0.00 H new ATOM 1359 N SER A 101 -10.722 5.583 -10.719 1.00 0.00 N ATOM 1360 CA SER A 101 -10.283 6.224 -9.453 1.00 0.00 C ATOM 1361 C SER A 101 -10.734 5.401 -8.263 1.00 0.00 C ATOM 1362 O SER A 101 -11.774 4.775 -8.302 1.00 0.00 O ATOM 1363 CB SER A 101 -10.928 7.613 -9.357 1.00 0.00 C ATOM 1364 OG SER A 101 -12.104 7.506 -10.145 1.00 0.00 O ATOM 0 H SER A 101 -11.120 4.649 -10.622 1.00 0.00 H new ATOM 0 HA SER A 101 -9.196 6.298 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.163 7.873 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.263 8.388 -9.737 1.00 0.00 H new ATOM 0 HG SER A 101 -12.583 8.361 -10.136 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.952 5.409 -7.225 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.340 4.623 -6.035 1.00 0.00 C ATOM 1372 C LEU A 102 -11.280 5.428 -5.146 1.00 0.00 C ATOM 1373 O LEU A 102 -10.911 5.852 -4.066 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.074 4.268 -5.231 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.068 3.527 -6.132 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.661 3.814 -5.635 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.316 2.021 -6.055 1.00 0.00 C ATOM 0 H LEU A 102 -9.072 5.920 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.850 3.717 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.619 5.175 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.338 3.644 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.186 3.865 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.939 3.294 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.472 4.887 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.561 3.467 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.602 1.502 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.194 1.684 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.330 1.802 -6.390 1.00 0.00 H new ATOM 1389 N ALA A 103 -12.474 5.642 -5.626 1.00 0.00 N ATOM 1390 CA ALA A 103 -13.453 6.414 -4.824 1.00 0.00 C ATOM 1391 C ALA A 103 -14.186 5.498 -3.852 1.00 0.00 C ATOM 1392 O ALA A 103 -15.188 5.872 -3.277 1.00 0.00 O ATOM 1393 CB ALA A 103 -14.478 7.044 -5.782 1.00 0.00 C ATOM 0 H ALA A 103 -12.809 5.317 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.928 7.182 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -15.207 7.617 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.965 7.705 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.989 6.257 -6.337 1.00 0.00 H new ATOM 1399 N GLN A 104 -13.668 4.308 -3.687 1.00 0.00 N ATOM 1400 CA GLN A 104 -14.318 3.349 -2.758 1.00 0.00 C ATOM 1401 C GLN A 104 -13.753 3.469 -1.347 1.00 0.00 C ATOM 1402 O GLN A 104 -14.474 3.320 -0.380 1.00 0.00 O ATOM 1403 CB GLN A 104 -14.051 1.925 -3.267 1.00 0.00 C ATOM 1404 CG GLN A 104 -15.163 1.516 -4.232 1.00 0.00 C ATOM 1405 CD GLN A 104 -14.610 0.507 -5.239 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -14.531 0.847 -6.496 1.00 0.00 O flip ATOM 1407 NE2 GLN A 104 -14.241 -0.597 -4.890 1.00 0.00 N flip ATOM 0 H GLN A 104 -12.829 3.965 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 104 -15.385 3.569 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.084 1.881 -3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.007 1.229 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.996 1.079 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.550 2.392 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.301 -0.868 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.872 -1.253 -5.579 1.00 0.00 H new ATOM 1416 N TYR A 105 -12.469 3.732 -1.252 1.00 0.00 N ATOM 1417 CA TYR A 105 -11.848 3.864 0.094 1.00 0.00 C ATOM 1418 C TYR A 105 -12.752 4.648 1.038 1.00 0.00 C ATOM 1419 O TYR A 105 -13.473 4.070 1.829 1.00 0.00 O ATOM 1420 CB TYR A 105 -10.499 4.600 -0.057 1.00 0.00 C ATOM 1421 CG TYR A 105 -9.360 3.603 0.154 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -8.868 2.863 -0.902 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -8.816 3.419 1.410 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -7.848 1.958 -0.704 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -7.797 2.514 1.605 1.00 0.00 C ATOM 1426 CZ TYR A 105 -7.307 1.775 0.551 1.00 0.00 C ATOM 1427 OH TYR A 105 -6.294 0.865 0.749 1.00 0.00 O ATOM 0 H TYR A 105 -11.836 3.859 -2.042 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.697 2.870 0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.425 5.051 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.429 5.410 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.285 2.994 -1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.193 3.990 2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.469 1.387 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.379 2.383 2.592 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.235 0.268 -0.026 1.00 0.00 H new ATOM 1437 N ASN A 106 -12.697 5.943 0.932 1.00 0.00 N ATOM 1438 CA ASN A 106 -13.540 6.799 1.810 1.00 0.00 C ATOM 1439 C ASN A 106 -14.685 7.451 0.983 1.00 0.00 C ATOM 1440 O ASN A 106 -14.426 7.999 -0.065 1.00 0.00 O ATOM 1441 CB ASN A 106 -12.647 7.919 2.360 1.00 0.00 C ATOM 1442 CG ASN A 106 -12.485 7.744 3.871 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -13.527 7.900 4.641 1.00 0.00 O flip ATOM 1444 ND2 ASN A 106 -11.411 7.464 4.364 1.00 0.00 N flip ATOM 0 H ASN A 106 -12.104 6.448 0.274 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.972 6.198 2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.672 7.894 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.088 8.891 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.593 7.341 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.327 7.352 5.374 1.00 0.00 H new ATOM 1451 N PRO A 107 -15.946 7.381 1.455 1.00 0.00 N ATOM 1452 CA PRO A 107 -17.055 7.982 0.710 1.00 0.00 C ATOM 1453 C PRO A 107 -16.941 9.505 0.652 1.00 0.00 C ATOM 1454 O PRO A 107 -16.835 10.086 -0.410 1.00 0.00 O ATOM 1455 CB PRO A 107 -18.317 7.611 1.501 1.00 0.00 C ATOM 1456 CG PRO A 107 -17.857 6.918 2.815 1.00 0.00 C ATOM 1457 CD PRO A 107 -16.340 6.704 2.709 1.00 0.00 C ATOM 0 HA PRO A 107 -17.065 7.622 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -18.906 8.501 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -18.953 6.945 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -18.099 7.535 3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -18.371 5.966 2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -15.820 7.129 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -16.092 5.643 2.680 1.00 0.00 H new ATOM 1465 N LYS A 108 -16.963 10.121 1.805 1.00 0.00 N ATOM 1466 CA LYS A 108 -16.860 11.604 1.859 1.00 0.00 C ATOM 1467 C LYS A 108 -15.693 12.115 1.030 1.00 0.00 C ATOM 1468 O LYS A 108 -15.541 13.306 0.843 1.00 0.00 O ATOM 1469 CB LYS A 108 -16.629 12.014 3.318 1.00 0.00 C ATOM 1470 CG LYS A 108 -17.744 12.960 3.759 1.00 0.00 C ATOM 1471 CD LYS A 108 -17.475 13.407 5.197 1.00 0.00 C ATOM 1472 CE LYS A 108 -18.523 14.444 5.604 1.00 0.00 C ATOM 1473 NZ LYS A 108 -18.206 15.768 4.997 1.00 0.00 N ATOM 0 H LYS A 108 -17.048 9.659 2.710 1.00 0.00 H new ATOM 0 HA LYS A 108 -17.780 12.030 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -16.611 11.131 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.660 12.502 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -17.788 13.825 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -18.710 12.460 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.513 12.550 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.475 13.832 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -19.512 14.117 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.554 14.533 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.832 16.494 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.216 16.014 5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.348 15.721 3.968 1.00 0.00 H new ATOM 1487 N LEU A 109 -14.890 11.213 0.550 1.00 0.00 N ATOM 1488 CA LEU A 109 -13.728 11.638 -0.268 1.00 0.00 C ATOM 1489 C LEU A 109 -13.471 10.651 -1.395 1.00 0.00 C ATOM 1490 O LEU A 109 -14.245 9.744 -1.618 1.00 0.00 O ATOM 1491 CB LEU A 109 -12.491 11.695 0.649 1.00 0.00 C ATOM 1492 CG LEU A 109 -12.249 13.144 1.081 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -11.399 13.154 2.352 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -11.500 13.882 -0.031 1.00 0.00 C ATOM 0 H LEU A 109 -14.987 10.207 0.687 1.00 0.00 H new ATOM 0 HA LEU A 109 -13.933 12.614 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -12.643 11.063 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.617 11.309 0.125 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.203 13.636 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.223 14.183 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.923 12.619 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.444 12.667 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.325 14.915 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.544 13.391 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.096 13.867 -0.943 1.00 0.00 H new ATOM 1506 N ASP A 110 -12.397 10.853 -2.093 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.073 9.938 -3.206 1.00 0.00 C ATOM 1508 C ASP A 110 -10.633 10.126 -3.638 1.00 0.00 C ATOM 1509 O ASP A 110 -10.113 11.224 -3.591 1.00 0.00 O ATOM 1510 CB ASP A 110 -12.996 10.265 -4.387 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.390 11.744 -4.326 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -14.292 12.032 -3.555 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -12.768 12.500 -5.052 1.00 0.00 O ATOM 0 H ASP A 110 -11.732 11.611 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.212 8.907 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.491 10.050 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -13.887 9.638 -4.352 1.00 0.00 H new ATOM 1518 N VAL A 111 -10.010 9.049 -4.056 1.00 0.00 N ATOM 1519 CA VAL A 111 -8.595 9.146 -4.498 1.00 0.00 C ATOM 1520 C VAL A 111 -8.458 8.883 -5.985 1.00 0.00 C ATOM 1521 O VAL A 111 -9.242 8.161 -6.574 1.00 0.00 O ATOM 1522 CB VAL A 111 -7.779 8.090 -3.746 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -6.424 8.685 -3.368 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.525 7.685 -2.474 1.00 0.00 C ATOM 0 H VAL A 111 -10.422 8.117 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.237 10.154 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.636 7.214 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.836 7.940 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.893 8.984 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.574 9.556 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.947 6.933 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.662 8.560 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.499 7.273 -2.739 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.456 9.475 -6.558 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.212 9.297 -8.005 1.00 0.00 C ATOM 1536 C LYS A 112 -5.725 9.149 -8.237 1.00 0.00 C ATOM 1537 O LYS A 112 -5.019 10.126 -8.390 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.714 10.544 -8.749 1.00 0.00 C ATOM 1539 CG LYS A 112 -9.143 10.853 -8.299 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.879 11.574 -9.429 1.00 0.00 C ATOM 1541 CE LYS A 112 -11.207 12.113 -8.898 1.00 0.00 C ATOM 1542 NZ LYS A 112 -11.152 13.594 -8.763 1.00 0.00 N ATOM 0 H LYS A 112 -6.790 10.081 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.734 8.411 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.063 11.393 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.687 10.376 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.663 9.931 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.129 11.474 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.269 12.391 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.056 10.890 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.016 11.833 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.429 11.662 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.062 13.944 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.393 13.854 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.962 14.020 -9.692 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.272 7.930 -8.266 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.833 7.699 -8.484 1.00 0.00 C ATOM 1558 C LEU A 113 -3.502 7.587 -9.986 1.00 0.00 C ATOM 1559 O LEU A 113 -3.774 6.609 -10.635 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.431 6.422 -7.657 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.431 5.111 -8.481 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.085 3.955 -7.513 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.816 4.839 -9.132 1.00 0.00 C ATOM 0 H LEU A 113 -5.839 7.090 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.243 8.546 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.438 6.573 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.120 6.313 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.703 5.194 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.076 3.012 -8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.103 4.129 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.833 3.907 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.774 3.910 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.574 4.753 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.073 5.662 -9.799 1.00 0.00 H new ATOM 1575 N LEU A 114 -2.946 8.663 -10.505 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.578 8.704 -11.929 1.00 0.00 C ATOM 1577 C LEU A 114 -1.152 9.229 -12.122 1.00 0.00 C ATOM 1578 O LEU A 114 -0.834 9.821 -13.136 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.564 9.664 -12.607 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.786 8.875 -13.053 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.015 9.784 -13.068 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -4.533 8.353 -14.448 1.00 0.00 C ATOM 0 H LEU A 114 -2.737 9.514 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.619 7.702 -12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.857 10.455 -11.916 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.093 10.147 -13.463 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.965 8.049 -12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.886 9.213 -13.388 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.188 10.179 -12.067 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.848 10.610 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.399 7.784 -14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.363 9.190 -15.125 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.655 7.708 -14.441 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.322 8.996 -11.149 1.00 0.00 N ATOM 1595 CA TYR A 115 1.080 9.467 -11.252 1.00 0.00 C ATOM 1596 C TYR A 115 2.033 8.437 -10.664 1.00 0.00 C ATOM 1597 O TYR A 115 2.605 8.642 -9.613 1.00 0.00 O ATOM 1598 CB TYR A 115 1.192 10.769 -10.457 1.00 0.00 C ATOM 1599 CG TYR A 115 0.073 11.703 -10.910 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.192 11.591 -10.373 1.00 0.00 C ATOM 1601 CD2 TYR A 115 0.304 12.647 -11.889 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.213 12.407 -10.809 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -0.718 13.464 -12.327 1.00 0.00 C ATOM 1604 CZ TYR A 115 -1.984 13.351 -11.789 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.004 14.172 -12.225 1.00 0.00 O ATOM 0 H TYR A 115 -0.554 8.500 -10.288 1.00 0.00 H new ATOM 0 HA TYR A 115 1.344 9.621 -12.298 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.111 10.570 -9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.164 11.233 -10.622 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.384 10.857 -9.604 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.291 12.747 -12.315 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.199 12.307 -10.381 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -0.526 14.197 -13.096 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.664 14.777 -12.917 1.00 0.00 H new ATOM 1615 N PRO A 116 2.191 7.332 -11.371 1.00 0.00 N ATOM 1616 CA PRO A 116 3.071 6.263 -10.923 1.00 0.00 C ATOM 1617 C PRO A 116 4.525 6.643 -11.093 1.00 0.00 C ATOM 1618 O PRO A 116 4.907 7.189 -12.110 1.00 0.00 O ATOM 1619 CB PRO A 116 2.754 5.085 -11.850 1.00 0.00 C ATOM 1620 CG PRO A 116 1.831 5.618 -12.989 1.00 0.00 C ATOM 1621 CD PRO A 116 1.512 7.082 -12.658 1.00 0.00 C ATOM 0 HA PRO A 116 2.917 6.040 -9.867 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.671 4.666 -12.264 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.259 4.286 -11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.328 5.540 -13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.916 5.029 -13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.878 7.753 -13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.437 7.244 -12.577 1.00 0.00 H new ATOM 1629 N VAL A 117 5.315 6.339 -10.103 1.00 0.00 N ATOM 1630 CA VAL A 117 6.748 6.677 -10.195 1.00 0.00 C ATOM 1631 C VAL A 117 7.537 5.458 -10.617 1.00 0.00 C ATOM 1632 O VAL A 117 7.234 4.356 -10.216 1.00 0.00 O ATOM 1633 CB VAL A 117 7.238 7.130 -8.810 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.047 8.638 -8.679 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.429 6.425 -7.727 1.00 0.00 C ATOM 0 H VAL A 117 5.027 5.874 -9.242 1.00 0.00 H new ATOM 0 HA VAL A 117 6.888 7.471 -10.928 1.00 0.00 H new ATOM 0 HB VAL A 117 8.293 6.880 -8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.393 8.965 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.621 9.146 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.991 8.882 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.777 6.747 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.374 6.677 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.556 5.347 -7.822 1.00 0.00 H new ATOM 1645 N SER A 118 8.522 5.668 -11.433 1.00 0.00 N ATOM 1646 CA SER A 118 9.331 4.525 -11.885 1.00 0.00 C ATOM 1647 C SER A 118 10.533 4.984 -12.665 1.00 0.00 C ATOM 1648 O SER A 118 10.841 6.158 -12.708 1.00 0.00 O ATOM 1649 CB SER A 118 8.484 3.648 -12.795 1.00 0.00 C ATOM 1650 OG SER A 118 9.180 2.410 -12.832 1.00 0.00 O ATOM 0 H SER A 118 8.798 6.578 -11.803 1.00 0.00 H new ATOM 0 HA SER A 118 9.665 3.976 -11.005 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.474 3.526 -12.403 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.389 4.082 -13.791 1.00 0.00 H new ATOM 0 HG SER A 118 8.694 1.779 -13.403 1.00 0.00 H new ATOM 1656 N LYS A 119 11.174 4.042 -13.282 1.00 0.00 N ATOM 1657 CA LYS A 119 12.379 4.358 -14.088 1.00 0.00 C ATOM 1658 C LYS A 119 12.247 3.763 -15.482 1.00 0.00 C ATOM 1659 O LYS A 119 13.184 3.765 -16.255 1.00 0.00 O ATOM 1660 CB LYS A 119 13.601 3.725 -13.391 1.00 0.00 C ATOM 1661 CG LYS A 119 13.641 4.162 -11.912 1.00 0.00 C ATOM 1662 CD LYS A 119 13.942 5.666 -11.820 1.00 0.00 C ATOM 1663 CE LYS A 119 14.599 5.960 -10.473 1.00 0.00 C ATOM 1664 NZ LYS A 119 16.067 5.730 -10.549 1.00 0.00 N ATOM 0 H LYS A 119 10.914 3.056 -13.264 1.00 0.00 H new ATOM 0 HA LYS A 119 12.493 5.439 -14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.547 2.638 -13.458 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.518 4.030 -13.895 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.687 3.943 -11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.404 3.596 -11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.601 5.969 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.022 6.241 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.401 6.992 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.164 5.323 -9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.499 5.934 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 16.250 4.739 -10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 16.480 6.356 -11.270 1.00 0.00 H new ATOM 1678 N TYR A 120 11.072 3.265 -15.774 1.00 0.00 N ATOM 1679 CA TYR A 120 10.838 2.662 -17.105 1.00 0.00 C ATOM 1680 C TYR A 120 11.470 3.501 -18.207 1.00 0.00 C ATOM 1681 O TYR A 120 11.515 4.704 -18.011 1.00 0.00 O ATOM 1682 CB TYR A 120 9.327 2.605 -17.334 1.00 0.00 C ATOM 1683 CG TYR A 120 8.874 1.145 -17.402 1.00 0.00 C ATOM 1684 CD1 TYR A 120 8.683 0.417 -16.245 1.00 0.00 C ATOM 1685 CD2 TYR A 120 8.649 0.534 -18.619 1.00 0.00 C ATOM 1686 CE1 TYR A 120 8.277 -0.899 -16.304 1.00 0.00 C ATOM 1687 CE2 TYR A 120 8.242 -0.783 -18.678 1.00 0.00 C ATOM 1688 CZ TYR A 120 8.052 -1.510 -17.521 1.00 0.00 C ATOM 1689 OH TYR A 120 7.646 -2.827 -17.579 1.00 0.00 O ATOM 1690 OXT TYR A 120 11.874 2.895 -19.184 1.00 0.00 O ATOM 0 H TYR A 120 10.270 3.254 -15.144 1.00 0.00 H new ATOM 0 HA TYR A 120 11.285 1.668 -17.133 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.807 3.121 -16.527 1.00 0.00 H new ATOM 0 HB3 TYR A 120 9.069 3.120 -18.260 1.00 0.00 H new ATOM 0 HD1 TYR A 120 8.853 0.882 -15.285 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.793 1.091 -19.533 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.134 -1.457 -15.390 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.071 -1.248 -19.637 1.00 0.00 H new ATOM 0 HH TYR A 120 7.119 -3.042 -16.781 1.00 0.00 H new TER 1700 TYR A 120