USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1020 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 83 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 138 MET CE :methyl 137:sc= -0.0967 (180deg=-0.977) USER MOD Set 2.1: A 39 ASN : amide:sc= -0.521 K(o=-0.53,f=-2.4) USER MOD Set 2.2: A 48 GLN : amide:sc=-0.00442 K(o=-0.53,f=-1.4) USER MOD Set 3.1: A 43 CYS SG : rot -23:sc= -3.13! USER MOD Set 3.2: A 45 GLN :FLIP amide:sc= -1.89! C(o=-6!,f=-5!) USER MOD Set 4.1: A 25 ASN : amide:sc= 0 X(o=-2.1,f=-2.2) USER MOD Set 4.2: A 38 CYS SG : rot 70:sc= -2.14 USER MOD Set 5.1: A 12 TYR OH : rot -148:sc= -0.928! USER MOD Set 5.2: A 16 HIS : no HE2:sc= -6.34! C(o=-7.3!,f=-13!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= -3.77! (180deg=-3.88!) USER MOD Single : A 8 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.2!) USER MOD Single : A 10 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.8!) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.822 F(o=-3!,f=-0.82) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.107 USER MOD Single : A 32 HIS : no HD1:sc= 0.00461 K(o=0.0046,f=-1.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 46 THR OG1 : rot 43:sc= 1.13 USER MOD Single : A 49 SER OG : rot 180:sc= -0.122 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0266 (180deg=-0.445) USER MOD Single : A 58 SER OG : rot 179:sc= -0.708 USER MOD Single : A 61 HIS : no HD1:sc= -6.94! C(o=-6.9!,f=-12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -35:sc= 0.598 USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 1.08 (180deg=0.464) USER MOD Single : A 85 ASN : amide:sc= -8.31! C(o=-8.3!,f=-17!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -51:sc= 0.137 USER MOD Single : A 96 SER OG : rot 180:sc= -0.601 USER MOD Single : A 101 TYR OH : rot 180:sc= -2.93! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 20:sc= 0.152 USER MOD Single : A 106 SER OG : rot -17:sc= 0.28! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 113 THR OG1 : rot -26:sc= 0.0565 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0807 USER MOD Single : A 116 SER OG : rot 90:sc= -1.52 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= -0.0521 (180deg=-0.373) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot -78:sc= -2.06 USER MOD Single : A 133 LYS NZ :NH3+ -115:sc= 1.42 (180deg=0.29) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 91:sc= -2.84! USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 82:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 4 -9.635 53.636 10.914 1.00 0.00 N ATOM 50 CA VAL A 4 -8.652 54.614 10.462 1.00 0.00 C ATOM 51 C VAL A 4 -7.834 54.063 9.300 1.00 0.00 C ATOM 52 O VAL A 4 -7.309 54.813 8.480 1.00 0.00 O ATOM 53 CB VAL A 4 -7.711 54.963 11.623 1.00 0.00 C ATOM 54 CG1 VAL A 4 -8.527 55.255 12.883 1.00 0.00 C ATOM 55 CG2 VAL A 4 -6.757 53.787 11.894 1.00 0.00 C ATOM 0 HA VAL A 4 -9.180 55.506 10.125 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.131 55.846 11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.853 55.502 13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.196 56.095 12.697 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.114 54.376 13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.092 54.041 12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.336 52.901 12.154 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.166 53.584 11.001 1.00 0.00 H new ATOM 65 N TYR A 5 -7.719 52.738 9.244 1.00 0.00 N ATOM 66 CA TYR A 5 -6.939 52.092 8.195 1.00 0.00 C ATOM 67 C TYR A 5 -7.510 52.419 6.821 1.00 0.00 C ATOM 68 O TYR A 5 -6.764 52.609 5.859 1.00 0.00 O ATOM 69 CB TYR A 5 -6.942 50.573 8.404 1.00 0.00 C ATOM 70 CG TYR A 5 -6.289 50.242 9.728 1.00 0.00 C ATOM 71 CD1 TYR A 5 -7.021 50.357 10.915 1.00 0.00 C ATOM 72 CD2 TYR A 5 -4.958 49.820 9.770 1.00 0.00 C ATOM 73 CE1 TYR A 5 -6.420 50.051 12.142 1.00 0.00 C ATOM 74 CE2 TYR A 5 -4.354 49.510 10.995 1.00 0.00 C ATOM 75 CZ TYR A 5 -5.087 49.630 12.182 1.00 0.00 C ATOM 76 OH TYR A 5 -4.497 49.323 13.392 1.00 0.00 O ATOM 0 H TYR A 5 -8.153 52.096 9.908 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.916 52.466 8.247 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.964 50.195 8.387 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.407 50.083 7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.050 50.682 10.885 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.392 49.732 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.986 50.140 13.058 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.326 49.179 11.024 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.569 49.047 13.243 1.00 0.00 H new ATOM 86 N LYS A 6 -8.831 52.487 6.739 1.00 0.00 N ATOM 87 CA LYS A 6 -9.495 52.794 5.480 1.00 0.00 C ATOM 88 C LYS A 6 -9.069 54.171 4.973 1.00 0.00 C ATOM 89 O LYS A 6 -8.908 54.378 3.770 1.00 0.00 O ATOM 90 CB LYS A 6 -11.016 52.768 5.666 1.00 0.00 C ATOM 91 CG LYS A 6 -11.465 51.341 5.979 1.00 0.00 C ATOM 92 CD LYS A 6 -12.993 51.290 6.060 1.00 0.00 C ATOM 93 CE LYS A 6 -13.435 49.900 6.520 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.910 48.874 5.578 1.00 0.00 N1+ ATOM 0 H LYS A 6 -9.462 52.334 7.526 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.207 52.040 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.306 53.438 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.510 53.127 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.109 50.659 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.029 51.010 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.356 52.047 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.427 51.517 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.068 49.705 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.523 49.848 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.333 47.950 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.154 49.141 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.876 48.813 5.672 1.00 0.00 H new ATOM 108 N GLY A 7 -8.893 55.109 5.896 1.00 0.00 N ATOM 109 CA GLY A 7 -8.490 56.462 5.532 1.00 0.00 C ATOM 110 C GLY A 7 -7.096 56.473 4.918 1.00 0.00 C ATOM 111 O GLY A 7 -6.776 57.328 4.089 1.00 0.00 O ATOM 0 H GLY A 7 -9.022 54.959 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.206 56.880 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.506 57.100 6.416 1.00 0.00 H new ATOM 115 N GLN A 8 -6.267 55.512 5.318 1.00 0.00 N ATOM 116 CA GLN A 8 -4.909 55.415 4.796 1.00 0.00 C ATOM 117 C GLN A 8 -4.910 54.818 3.392 1.00 0.00 C ATOM 118 O GLN A 8 -4.335 55.386 2.464 1.00 0.00 O ATOM 119 CB GLN A 8 -4.054 54.547 5.720 1.00 0.00 C ATOM 120 CG GLN A 8 -2.578 54.904 5.539 1.00 0.00 C ATOM 121 CD GLN A 8 -1.937 55.180 6.895 1.00 0.00 C ATOM 122 OE1 GLN A 8 -2.588 55.713 7.793 1.00 0.00 O ATOM 123 NE2 GLN A 8 -0.692 54.844 7.098 1.00 0.00 N ATOM 0 H GLN A 8 -6.511 54.793 5.999 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.489 56.420 4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.351 54.701 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.214 53.492 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.056 54.087 5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.483 55.780 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.155 54.402 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.256 55.023 8.003 1.00 0.00 H new ATOM 132 N LEU A 9 -5.566 53.675 3.242 1.00 0.00 N ATOM 133 CA LEU A 9 -5.652 53.016 1.941 1.00 0.00 C ATOM 134 C LEU A 9 -6.347 53.921 0.933 1.00 0.00 C ATOM 135 O LEU A 9 -5.924 54.016 -0.221 1.00 0.00 O ATOM 136 CB LEU A 9 -6.409 51.691 2.077 1.00 0.00 C ATOM 137 CG LEU A 9 -6.088 50.791 0.880 1.00 0.00 C ATOM 138 CD1 LEU A 9 -4.645 50.266 0.996 1.00 0.00 C ATOM 139 CD2 LEU A 9 -7.062 49.612 0.850 1.00 0.00 C ATOM 0 H LEU A 9 -6.044 53.186 3.998 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.643 52.812 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.127 51.193 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.482 51.877 2.128 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.188 51.367 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.421 49.626 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.952 51.107 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.539 49.693 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.833 48.972 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.966 49.037 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.082 49.985 0.759 1.00 0.00 H new ATOM 151 N GLN A 10 -7.416 54.568 1.376 1.00 0.00 N ATOM 152 CA GLN A 10 -8.169 55.459 0.504 1.00 0.00 C ATOM 153 C GLN A 10 -7.271 56.577 -0.019 1.00 0.00 C ATOM 154 O GLN A 10 -7.332 56.940 -1.195 1.00 0.00 O ATOM 155 CB GLN A 10 -9.354 56.063 1.264 1.00 0.00 C ATOM 156 CG GLN A 10 -10.147 56.982 0.334 1.00 0.00 C ATOM 157 CD GLN A 10 -11.431 57.433 1.019 1.00 0.00 C ATOM 158 OE1 GLN A 10 -11.653 58.630 1.204 1.00 0.00 O ATOM 159 NE2 GLN A 10 -12.298 56.538 1.413 1.00 0.00 N ATOM 0 H GLN A 10 -7.779 54.494 2.326 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.542 54.880 -0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.998 55.270 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.997 56.624 2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.544 57.849 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.384 56.459 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.113 55.547 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.159 56.831 1.874 1.00 0.00 H new ATOM 168 N ALA A 11 -6.431 57.114 0.861 1.00 0.00 N ATOM 169 CA ALA A 11 -5.513 58.181 0.474 1.00 0.00 C ATOM 170 C ALA A 11 -4.488 57.659 -0.531 1.00 0.00 C ATOM 171 O ALA A 11 -4.093 58.368 -1.459 1.00 0.00 O ATOM 172 CB ALA A 11 -4.794 58.726 1.710 1.00 0.00 C ATOM 0 H ALA A 11 -6.367 56.831 1.839 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.086 58.983 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.111 59.522 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.527 59.121 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.231 57.924 2.187 1.00 0.00 H new ATOM 178 N TYR A 12 -4.051 56.414 -0.334 1.00 0.00 N ATOM 179 CA TYR A 12 -3.063 55.813 -1.227 1.00 0.00 C ATOM 180 C TYR A 12 -3.605 55.763 -2.652 1.00 0.00 C ATOM 181 O TYR A 12 -2.958 56.220 -3.591 1.00 0.00 O ATOM 182 CB TYR A 12 -2.728 54.397 -0.755 1.00 0.00 C ATOM 183 CG TYR A 12 -1.493 53.907 -1.471 1.00 0.00 C ATOM 184 CD1 TYR A 12 -0.233 54.386 -1.092 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.603 52.976 -2.511 1.00 0.00 C ATOM 186 CE1 TYR A 12 0.917 53.931 -1.747 1.00 0.00 C ATOM 187 CE2 TYR A 12 -0.454 52.524 -3.169 1.00 0.00 C ATOM 188 CZ TYR A 12 0.806 53.002 -2.787 1.00 0.00 C ATOM 189 OH TYR A 12 1.939 52.554 -3.436 1.00 0.00 O ATOM 0 H TYR A 12 -4.362 55.810 0.427 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.159 56.422 -1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.563 54.391 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.566 53.728 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.149 55.108 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.574 52.607 -2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.889 54.297 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.539 51.806 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 12 1.724 52.360 -4.372 1.00 0.00 H new ATOM 199 N ALA A 13 -4.806 55.216 -2.803 1.00 0.00 N ATOM 200 CA ALA A 13 -5.432 55.124 -4.118 1.00 0.00 C ATOM 201 C ALA A 13 -5.480 56.502 -4.779 1.00 0.00 C ATOM 202 O ALA A 13 -5.353 56.619 -5.997 1.00 0.00 O ATOM 203 CB ALA A 13 -6.856 54.570 -3.984 1.00 0.00 C ATOM 0 H ALA A 13 -5.362 54.832 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.840 54.451 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.315 54.505 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.820 53.578 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.446 55.233 -3.352 1.00 0.00 H new ATOM 209 N LEU A 14 -5.666 57.537 -3.968 1.00 0.00 N ATOM 210 CA LEU A 14 -5.735 58.895 -4.486 1.00 0.00 C ATOM 211 C LEU A 14 -4.454 59.250 -5.234 1.00 0.00 C ATOM 212 O LEU A 14 -4.494 59.886 -6.289 1.00 0.00 O ATOM 213 CB LEU A 14 -5.946 59.886 -3.332 1.00 0.00 C ATOM 214 CG LEU A 14 -6.478 61.221 -3.880 1.00 0.00 C ATOM 215 CD1 LEU A 14 -8.005 61.165 -3.990 1.00 0.00 C ATOM 216 CD2 LEU A 14 -6.079 62.357 -2.933 1.00 0.00 C ATOM 0 H LEU A 14 -5.771 57.461 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.575 58.957 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.650 59.473 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.006 60.048 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.051 61.399 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.377 62.113 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.292 60.359 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.434 60.983 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.456 63.303 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.504 62.174 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.993 62.403 -2.857 1.00 0.00 H new ATOM 228 N GLN A 15 -3.319 58.839 -4.681 1.00 0.00 N ATOM 229 CA GLN A 15 -2.028 59.114 -5.307 1.00 0.00 C ATOM 230 C GLN A 15 -1.735 58.118 -6.426 1.00 0.00 C ATOM 231 O GLN A 15 -1.034 58.440 -7.387 1.00 0.00 O ATOM 232 CB GLN A 15 -0.915 59.041 -4.261 1.00 0.00 C ATOM 233 CG GLN A 15 0.429 59.361 -4.921 1.00 0.00 C ATOM 234 CD GLN A 15 1.516 59.478 -3.858 1.00 0.00 C ATOM 235 OE1 GLN A 15 1.213 59.645 -2.676 1.00 0.00 O ATOM 236 NE2 GLN A 15 2.771 59.400 -4.210 1.00 0.00 N ATOM 0 H GLN A 15 -3.264 58.317 -3.806 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.069 60.116 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.113 59.747 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.885 58.047 -3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.689 58.579 -5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.356 60.293 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.018 59.262 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.504 59.477 -3.505 1.00 0.00 H new ATOM 245 N HIS A 16 -2.261 56.902 -6.289 1.00 0.00 N ATOM 246 CA HIS A 16 -2.028 55.868 -7.295 1.00 0.00 C ATOM 247 C HIS A 16 -3.080 55.939 -8.392 1.00 0.00 C ATOM 248 O HIS A 16 -2.905 55.357 -9.464 1.00 0.00 O ATOM 249 CB HIS A 16 -2.064 54.482 -6.634 1.00 0.00 C ATOM 250 CG HIS A 16 -0.683 54.102 -6.169 1.00 0.00 C ATOM 251 ND1 HIS A 16 0.151 55.000 -5.524 1.00 0.00 N ATOM 252 CD2 HIS A 16 0.024 52.933 -6.265 1.00 0.00 C ATOM 253 CE1 HIS A 16 1.303 54.362 -5.258 1.00 0.00 C ATOM 254 NE2 HIS A 16 1.278 53.098 -5.688 1.00 0.00 N ATOM 0 H HIS A 16 -2.843 56.611 -5.503 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.047 56.034 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.753 54.490 -5.789 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.436 53.741 -7.342 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -0.069 55.969 -5.293 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.337 52.022 -6.719 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.146 54.816 -4.758 1.00 0.00 H new ATOM 262 N ASN A 17 -4.163 56.663 -8.126 1.00 0.00 N ATOM 263 CA ASN A 17 -5.217 56.810 -9.121 1.00 0.00 C ATOM 264 C ASN A 17 -5.562 55.461 -9.745 1.00 0.00 C ATOM 265 O ASN A 17 -5.227 55.201 -10.899 1.00 0.00 O ATOM 266 CB ASN A 17 -4.786 57.790 -10.210 1.00 0.00 C ATOM 267 CG ASN A 17 -4.642 59.191 -9.622 1.00 0.00 C ATOM 268 OD1 ASN A 17 -5.395 59.549 -8.618 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 -3.824 59.980 -10.094 1.00 0.00 N flip ATOM 0 H ASN A 17 -4.332 57.149 -7.245 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.104 57.200 -8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.839 57.470 -10.645 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.520 57.798 -11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.237 59.697 -10.879 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.733 60.917 -9.700 1.00 0.00 H new ATOM 276 N LEU A 18 -6.224 54.609 -8.974 1.00 0.00 N ATOM 277 CA LEU A 18 -6.612 53.286 -9.464 1.00 0.00 C ATOM 278 C LEU A 18 -7.981 52.887 -8.919 1.00 0.00 C ATOM 279 O LEU A 18 -8.610 53.640 -8.179 1.00 0.00 O ATOM 280 CB LEU A 18 -5.551 52.256 -9.048 1.00 0.00 C ATOM 281 CG LEU A 18 -5.806 51.803 -7.606 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.744 50.801 -7.183 1.00 0.00 C ATOM 283 CD2 LEU A 18 -5.773 53.019 -6.685 1.00 0.00 C ATOM 0 H LEU A 18 -6.504 54.805 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.679 53.317 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.581 51.398 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.555 52.692 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.784 51.325 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.931 50.483 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.778 49.934 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.760 51.266 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.954 52.702 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.796 53.498 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.545 53.726 -6.988 1.00 0.00 H new ATOM 295 N GLU A 19 -8.406 51.669 -9.249 1.00 0.00 N ATOM 296 CA GLU A 19 -9.681 51.158 -8.765 1.00 0.00 C ATOM 297 C GLU A 19 -9.871 51.486 -7.284 1.00 0.00 C ATOM 298 O GLU A 19 -9.024 51.162 -6.450 1.00 0.00 O ATOM 299 CB GLU A 19 -9.753 49.639 -8.957 1.00 0.00 C ATOM 300 CG GLU A 19 -11.180 49.154 -8.691 1.00 0.00 C ATOM 301 CD GLU A 19 -12.108 49.627 -9.807 1.00 0.00 C ATOM 302 OE1 GLU A 19 -11.604 50.152 -10.786 1.00 0.00 O ATOM 303 OE2 GLU A 19 -13.307 49.464 -9.662 1.00 0.00 O1- ATOM 0 H GLU A 19 -7.888 51.024 -9.846 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.473 51.637 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.452 49.376 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.058 49.143 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.198 48.066 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.529 49.534 -7.731 1.00 0.00 H new ATOM 310 N LEU A 20 -10.987 52.134 -6.973 1.00 0.00 N ATOM 311 CA LEU A 20 -11.278 52.504 -5.601 1.00 0.00 C ATOM 312 C LEU A 20 -11.265 51.271 -4.700 1.00 0.00 C ATOM 313 O LEU A 20 -11.557 50.159 -5.147 1.00 0.00 O ATOM 314 CB LEU A 20 -12.651 53.191 -5.517 1.00 0.00 C ATOM 315 CG LEU A 20 -12.502 54.672 -5.869 1.00 0.00 C ATOM 316 CD1 LEU A 20 -11.836 54.807 -7.239 1.00 0.00 C ATOM 317 CD2 LEU A 20 -13.881 55.328 -5.904 1.00 0.00 C ATOM 0 H LEU A 20 -11.698 52.411 -7.650 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.508 53.197 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.352 52.712 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.062 53.084 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.885 55.164 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.730 55.862 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.852 54.340 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.451 54.315 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.776 56.384 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.499 54.836 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -14.354 55.233 -4.927 1.00 0.00 H new ATOM 329 N PRO A 21 -10.943 51.452 -3.445 1.00 0.00 N ATOM 330 CA PRO A 21 -10.900 50.344 -2.451 1.00 0.00 C ATOM 331 C PRO A 21 -12.288 49.781 -2.157 1.00 0.00 C ATOM 332 O PRO A 21 -13.280 50.509 -2.164 1.00 0.00 O ATOM 333 CB PRO A 21 -10.298 51.001 -1.201 1.00 0.00 C ATOM 334 CG PRO A 21 -10.596 52.458 -1.342 1.00 0.00 C ATOM 335 CD PRO A 21 -10.580 52.744 -2.836 1.00 0.00 C ATOM 0 HA PRO A 21 -10.321 49.493 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.740 50.595 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.224 50.823 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.566 52.702 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.852 53.061 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.292 53.525 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.598 53.081 -3.168 1.00 0.00 H new ATOM 343 N VAL A 22 -12.341 48.484 -1.883 1.00 0.00 N ATOM 344 CA VAL A 22 -13.612 47.829 -1.563 1.00 0.00 C ATOM 345 C VAL A 22 -13.413 46.779 -0.477 1.00 0.00 C ATOM 346 O VAL A 22 -12.478 45.988 -0.531 1.00 0.00 O ATOM 347 CB VAL A 22 -14.190 47.175 -2.818 1.00 0.00 C ATOM 348 CG1 VAL A 22 -15.397 46.310 -2.440 1.00 0.00 C ATOM 349 CG2 VAL A 22 -14.630 48.262 -3.801 1.00 0.00 C ATOM 0 H VAL A 22 -11.530 47.866 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.309 48.582 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.429 46.548 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.807 45.845 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.084 45.535 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.160 46.934 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.042 47.797 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.390 48.888 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.771 48.876 -4.073 1.00 0.00 H new ATOM 359 N TYR A 23 -14.300 46.776 0.513 1.00 0.00 N ATOM 360 CA TYR A 23 -14.222 45.830 1.612 1.00 0.00 C ATOM 361 C TYR A 23 -15.392 44.861 1.570 1.00 0.00 C ATOM 362 O TYR A 23 -16.462 45.185 1.053 1.00 0.00 O ATOM 363 CB TYR A 23 -14.216 46.582 2.938 1.00 0.00 C ATOM 364 CG TYR A 23 -12.902 47.316 3.107 1.00 0.00 C ATOM 365 CD1 TYR A 23 -12.611 48.422 2.305 1.00 0.00 C ATOM 366 CD2 TYR A 23 -11.978 46.883 4.059 1.00 0.00 C ATOM 367 CE1 TYR A 23 -11.397 49.098 2.459 1.00 0.00 C ATOM 368 CE2 TYR A 23 -10.760 47.554 4.223 1.00 0.00 C ATOM 369 CZ TYR A 23 -10.468 48.665 3.416 1.00 0.00 C ATOM 370 OH TYR A 23 -9.271 49.334 3.562 1.00 0.00 O ATOM 0 H TYR A 23 -15.085 47.424 0.573 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.299 45.259 1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.045 47.290 2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.362 45.884 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.324 48.755 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.204 46.024 4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.174 49.955 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.050 47.219 4.965 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.393 50.278 3.329 1.00 0.00 H new ATOM 380 N ALA A 24 -15.191 43.676 2.144 1.00 0.00 N ATOM 381 CA ALA A 24 -16.253 42.670 2.210 1.00 0.00 C ATOM 382 C ALA A 24 -16.618 42.411 3.662 1.00 0.00 C ATOM 383 O ALA A 24 -15.759 42.433 4.546 1.00 0.00 O ATOM 384 CB ALA A 24 -15.792 41.370 1.549 1.00 0.00 C ATOM 0 H ALA A 24 -14.309 43.389 2.568 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.129 43.041 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.591 40.630 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.546 41.560 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.910 40.992 2.066 1.00 0.00 H new ATOM 390 N ASN A 25 -17.899 42.175 3.920 1.00 0.00 N ATOM 391 CA ASN A 25 -18.365 41.927 5.282 1.00 0.00 C ATOM 392 C ASN A 25 -19.084 40.591 5.381 1.00 0.00 C ATOM 393 O ASN A 25 -20.043 40.340 4.650 1.00 0.00 O ATOM 394 CB ASN A 25 -19.328 43.048 5.705 1.00 0.00 C ATOM 395 CG ASN A 25 -18.617 44.397 5.639 1.00 0.00 C ATOM 396 OD1 ASN A 25 -17.495 44.534 6.126 1.00 0.00 O ATOM 397 ND2 ASN A 25 -19.210 45.411 5.067 1.00 0.00 N ATOM 0 H ASN A 25 -18.631 42.150 3.210 1.00 0.00 H new ATOM 0 HA ASN A 25 -17.497 41.904 5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -20.201 43.055 5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.689 42.867 6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.743 46.317 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.140 45.297 4.664 1.00 0.00 H new ATOM 404 N GLU A 26 -18.634 39.740 6.304 1.00 0.00 N ATOM 405 CA GLU A 26 -19.284 38.441 6.507 1.00 0.00 C ATOM 406 C GLU A 26 -19.505 38.184 7.996 1.00 0.00 C ATOM 407 O GLU A 26 -18.661 38.518 8.828 1.00 0.00 O ATOM 408 CB GLU A 26 -18.443 37.325 5.909 1.00 0.00 C ATOM 409 CG GLU A 26 -18.228 37.595 4.421 1.00 0.00 C ATOM 410 CD GLU A 26 -19.542 37.425 3.664 1.00 0.00 C ATOM 411 OE1 GLU A 26 -20.496 36.963 4.266 1.00 0.00 O ATOM 412 OE2 GLU A 26 -19.571 37.755 2.490 1.00 0.00 O1- ATOM 0 H GLU A 26 -17.837 39.920 6.914 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.251 38.460 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.483 37.263 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.941 36.365 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.845 38.605 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.479 36.911 4.023 1.00 0.00 H new ATOM 419 N ARG A 27 -20.651 37.589 8.347 1.00 0.00 N ATOM 420 CA ARG A 27 -20.948 37.313 9.753 1.00 0.00 C ATOM 421 C ARG A 27 -21.631 35.959 9.922 1.00 0.00 C ATOM 422 O ARG A 27 -22.729 35.734 9.409 1.00 0.00 O ATOM 423 CB ARG A 27 -21.853 38.411 10.316 1.00 0.00 C ATOM 424 CG ARG A 27 -22.004 38.231 11.831 1.00 0.00 C ATOM 425 CD ARG A 27 -23.080 39.184 12.354 1.00 0.00 C ATOM 426 NE ARG A 27 -22.779 40.556 11.963 1.00 0.00 N ATOM 427 CZ ARG A 27 -23.678 41.524 12.108 1.00 0.00 C ATOM 428 NH1 ARG A 27 -24.850 41.254 12.610 1.00 0.00 N ATOM 429 NH2 ARG A 27 -23.384 42.744 11.751 1.00 0.00 N1+ ATOM 0 H ARG A 27 -21.374 37.295 7.690 1.00 0.00 H new ATOM 0 HA ARG A 27 -20.004 37.292 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -21.430 39.392 10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -22.831 38.371 9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -22.274 37.200 12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -21.054 38.430 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.054 38.893 11.961 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -23.140 39.114 13.440 1.00 0.00 H new ATOM 0 HE ARG A 27 -21.863 40.777 11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -25.077 40.300 12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -25.540 41.997 12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -22.465 42.954 11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -24.073 43.488 11.862 1.00 0.00 H new ATOM 443 N GLU A 28 -20.977 35.069 10.666 1.00 0.00 N ATOM 444 CA GLU A 28 -21.531 33.745 10.919 1.00 0.00 C ATOM 445 C GLU A 28 -20.867 33.110 12.137 1.00 0.00 C ATOM 446 O GLU A 28 -19.648 33.178 12.302 1.00 0.00 O ATOM 447 CB GLU A 28 -21.324 32.841 9.702 1.00 0.00 C ATOM 448 CG GLU A 28 -19.827 32.638 9.462 1.00 0.00 C ATOM 449 CD GLU A 28 -19.607 31.902 8.144 1.00 0.00 C ATOM 450 OE1 GLU A 28 -20.302 32.217 7.191 1.00 0.00 O ATOM 451 OE2 GLU A 28 -18.748 31.038 8.107 1.00 0.00 O1- ATOM 0 H GLU A 28 -20.070 35.241 11.100 1.00 0.00 H new ATOM 0 HA GLU A 28 -22.598 33.856 11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -21.810 31.879 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -21.786 33.288 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -19.320 33.602 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -19.392 32.069 10.283 1.00 0.00 H new ATOM 458 N GLY A 29 -21.673 32.502 12.998 1.00 0.00 N ATOM 459 CA GLY A 29 -21.152 31.858 14.195 1.00 0.00 C ATOM 460 C GLY A 29 -22.163 31.930 15.341 1.00 0.00 C ATOM 461 O GLY A 29 -22.838 32.946 15.517 1.00 0.00 O ATOM 0 H GLY A 29 -22.685 32.442 12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.916 30.816 13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.221 32.340 14.496 1.00 0.00 H new ATOM 465 N PRO A 30 -22.277 30.882 16.122 1.00 0.00 N ATOM 466 CA PRO A 30 -23.221 30.834 17.265 1.00 0.00 C ATOM 467 C PRO A 30 -23.234 32.132 18.073 1.00 0.00 C ATOM 468 O PRO A 30 -22.388 33.004 17.880 1.00 0.00 O ATOM 469 CB PRO A 30 -22.701 29.666 18.115 1.00 0.00 C ATOM 470 CG PRO A 30 -21.964 28.769 17.168 1.00 0.00 C ATOM 471 CD PRO A 30 -21.520 29.627 15.983 1.00 0.00 C ATOM 0 HA PRO A 30 -24.251 30.706 16.933 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -22.044 30.022 18.908 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -23.523 29.136 18.596 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.103 28.316 17.659 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -22.605 27.953 16.833 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -20.445 29.809 16.007 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -21.739 29.136 15.035 1.00 0.00 H new ATOM 479 N PRO A 31 -24.183 32.271 18.959 1.00 0.00 N ATOM 480 CA PRO A 31 -24.319 33.495 19.805 1.00 0.00 C ATOM 481 C PRO A 31 -23.045 33.814 20.586 1.00 0.00 C ATOM 482 O PRO A 31 -22.524 34.927 20.516 1.00 0.00 O ATOM 483 CB PRO A 31 -25.475 33.137 20.758 1.00 0.00 C ATOM 484 CG PRO A 31 -26.260 32.102 20.033 1.00 0.00 C ATOM 485 CD PRO A 31 -25.231 31.286 19.270 1.00 0.00 C ATOM 0 HA PRO A 31 -24.504 34.388 19.208 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -25.101 32.756 21.708 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -26.086 34.011 20.984 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -26.823 31.477 20.726 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -26.982 32.558 19.356 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -24.844 30.463 19.871 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -25.654 30.849 18.365 1.00 0.00 H new ATOM 493 N HIS A 32 -22.546 32.829 21.331 1.00 0.00 N ATOM 494 CA HIS A 32 -21.337 33.024 22.125 1.00 0.00 C ATOM 495 C HIS A 32 -20.100 32.690 21.303 1.00 0.00 C ATOM 496 O HIS A 32 -18.986 32.663 21.825 1.00 0.00 O ATOM 497 CB HIS A 32 -21.377 32.134 23.370 1.00 0.00 C ATOM 498 CG HIS A 32 -21.375 30.688 22.959 1.00 0.00 C ATOM 499 ND1 HIS A 32 -22.543 29.996 22.681 1.00 0.00 N ATOM 500 CD2 HIS A 32 -20.354 29.788 22.771 1.00 0.00 C ATOM 501 CE1 HIS A 32 -22.201 28.740 22.346 1.00 0.00 C ATOM 502 NE2 HIS A 32 -20.878 28.559 22.384 1.00 0.00 N ATOM 0 H HIS A 32 -22.956 31.898 21.401 1.00 0.00 H new ATOM 0 HA HIS A 32 -21.290 34.070 22.428 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -20.517 32.343 24.006 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -22.268 32.354 23.958 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -19.304 30.002 22.904 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -22.910 27.970 22.079 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -20.363 27.704 22.174 1.00 0.00 H new ATOM 510 N ALA A 33 -20.303 32.461 20.008 1.00 0.00 N ATOM 511 CA ALA A 33 -19.191 32.156 19.112 1.00 0.00 C ATOM 512 C ALA A 33 -19.365 32.871 17.774 1.00 0.00 C ATOM 513 O ALA A 33 -19.447 32.228 16.726 1.00 0.00 O ATOM 514 CB ALA A 33 -19.114 30.645 18.890 1.00 0.00 C ATOM 0 H ALA A 33 -21.219 32.480 19.559 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.265 32.505 19.570 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -18.284 30.417 18.221 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.958 30.144 19.846 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.045 30.295 18.445 1.00 0.00 H new ATOM 520 N PRO A 34 -19.400 34.177 17.790 1.00 0.00 N ATOM 521 CA PRO A 34 -19.537 34.994 16.553 1.00 0.00 C ATOM 522 C PRO A 34 -18.205 35.181 15.838 1.00 0.00 C ATOM 523 O PRO A 34 -17.162 35.333 16.478 1.00 0.00 O ATOM 524 CB PRO A 34 -20.077 36.328 17.072 1.00 0.00 C ATOM 525 CG PRO A 34 -19.530 36.456 18.463 1.00 0.00 C ATOM 526 CD PRO A 34 -19.321 35.024 18.993 1.00 0.00 C ATOM 0 HA PRO A 34 -20.185 34.523 15.813 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.752 37.157 16.443 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -21.167 36.338 17.074 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.590 37.008 18.459 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.221 37.007 19.101 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.357 34.920 19.490 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -20.086 34.754 19.721 1.00 0.00 H new ATOM 534 N ARG A 35 -18.239 35.180 14.506 1.00 0.00 N ATOM 535 CA ARG A 35 -17.022 35.366 13.723 1.00 0.00 C ATOM 536 C ARG A 35 -17.250 36.371 12.611 1.00 0.00 C ATOM 537 O ARG A 35 -18.228 36.277 11.861 1.00 0.00 O ATOM 538 CB ARG A 35 -16.573 34.028 13.130 1.00 0.00 C ATOM 539 CG ARG A 35 -16.135 33.095 14.262 1.00 0.00 C ATOM 540 CD ARG A 35 -15.745 31.736 13.680 1.00 0.00 C ATOM 541 NE ARG A 35 -15.352 30.823 14.749 1.00 0.00 N ATOM 542 CZ ARG A 35 -16.253 30.090 15.395 1.00 0.00 C ATOM 543 NH1 ARG A 35 -17.516 30.179 15.074 1.00 0.00 N ATOM 544 NH2 ARG A 35 -15.878 29.281 16.348 1.00 0.00 N1+ ATOM 0 H ARG A 35 -19.087 35.054 13.953 1.00 0.00 H new ATOM 0 HA ARG A 35 -16.242 35.748 14.382 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.388 33.576 12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.750 34.184 12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.291 33.528 14.799 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.944 32.975 14.983 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.583 31.317 13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.923 31.857 12.975 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.368 30.746 15.005 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.809 30.810 14.329 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.209 29.617 15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.892 29.210 16.598 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.571 28.719 16.842 1.00 0.00 H new ATOM 558 N PHE A 36 -16.336 37.336 12.492 1.00 0.00 N ATOM 559 CA PHE A 36 -16.455 38.345 11.444 1.00 0.00 C ATOM 560 C PHE A 36 -15.325 38.240 10.431 1.00 0.00 C ATOM 561 O PHE A 36 -14.211 38.672 10.678 1.00 0.00 O ATOM 562 CB PHE A 36 -16.408 39.740 12.086 1.00 0.00 C ATOM 563 CG PHE A 36 -17.521 39.864 13.098 1.00 0.00 C ATOM 564 CD1 PHE A 36 -18.796 40.241 12.683 1.00 0.00 C ATOM 565 CD2 PHE A 36 -17.274 39.596 14.447 1.00 0.00 C ATOM 566 CE1 PHE A 36 -19.834 40.355 13.619 1.00 0.00 C ATOM 567 CE2 PHE A 36 -18.304 39.706 15.380 1.00 0.00 C ATOM 568 CZ PHE A 36 -19.588 40.089 14.972 1.00 0.00 C ATOM 0 H PHE A 36 -15.521 37.438 13.097 1.00 0.00 H new ATOM 0 HA PHE A 36 -17.399 38.182 10.925 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -15.444 39.898 12.569 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -16.511 40.509 11.320 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -18.985 40.446 11.640 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -16.285 39.304 14.767 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -20.822 40.648 13.297 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -18.111 39.495 16.421 1.00 0.00 H new ATOM 0 HZ PHE A 36 -20.384 40.179 15.697 1.00 0.00 H new ATOM 578 N ARG A 37 -15.628 37.655 9.282 1.00 0.00 N ATOM 579 CA ARG A 37 -14.616 37.499 8.230 1.00 0.00 C ATOM 580 C ARG A 37 -14.800 38.585 7.179 1.00 0.00 C ATOM 581 O ARG A 37 -15.704 38.527 6.346 1.00 0.00 O ATOM 582 CB ARG A 37 -14.747 36.119 7.560 1.00 0.00 C ATOM 583 CG ARG A 37 -14.305 35.029 8.537 1.00 0.00 C ATOM 584 CD ARG A 37 -14.486 33.655 7.889 1.00 0.00 C ATOM 585 NE ARG A 37 -14.116 32.602 8.829 1.00 0.00 N ATOM 586 CZ ARG A 37 -12.854 32.207 8.960 1.00 0.00 C ATOM 587 NH1 ARG A 37 -11.919 32.763 8.239 1.00 0.00 N ATOM 588 NH2 ARG A 37 -12.550 31.264 9.808 1.00 0.00 N1+ ATOM 0 H ARG A 37 -16.549 37.283 9.049 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.628 37.584 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.779 35.949 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.136 36.082 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.261 35.177 8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.890 35.090 9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.522 33.526 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.871 33.584 6.992 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.840 32.161 9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.157 33.500 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.950 32.460 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.281 30.829 10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.581 30.961 9.908 1.00 0.00 H new ATOM 602 N CYS A 38 -13.932 39.587 7.221 1.00 0.00 N ATOM 603 CA CYS A 38 -14.000 40.697 6.269 1.00 0.00 C ATOM 604 C CYS A 38 -12.756 40.713 5.398 1.00 0.00 C ATOM 605 O CYS A 38 -11.636 40.609 5.897 1.00 0.00 O ATOM 606 CB CYS A 38 -14.121 42.026 7.016 1.00 0.00 C ATOM 607 SG CYS A 38 -15.523 41.950 8.160 1.00 0.00 S ATOM 0 H CYS A 38 -13.174 39.658 7.900 1.00 0.00 H new ATOM 0 HA CYS A 38 -14.878 40.562 5.638 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.202 42.232 7.564 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -14.260 42.842 6.307 1.00 0.00 H new ATOM 0 HG CYS A 38 -15.244 41.137 9.135 1.00 0.00 H new ATOM 613 N ASN A 39 -12.960 40.850 4.095 1.00 0.00 N ATOM 614 CA ASN A 39 -11.838 40.887 3.151 1.00 0.00 C ATOM 615 C ASN A 39 -11.687 42.275 2.555 1.00 0.00 C ATOM 616 O ASN A 39 -12.630 43.070 2.551 1.00 0.00 O ATOM 617 CB ASN A 39 -12.053 39.866 2.036 1.00 0.00 C ATOM 618 CG ASN A 39 -12.059 38.457 2.618 1.00 0.00 C ATOM 619 OD1 ASN A 39 -11.339 38.178 3.579 1.00 0.00 O ATOM 620 ND2 ASN A 39 -12.831 37.547 2.091 1.00 0.00 N ATOM 0 H ASN A 39 -13.881 40.937 3.665 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.926 40.638 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.997 40.063 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.264 39.957 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.840 36.602 2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.426 37.781 1.296 1.00 0.00 H new ATOM 627 N VAL A 40 -10.496 42.573 2.033 1.00 0.00 N ATOM 628 CA VAL A 40 -10.243 43.877 1.414 1.00 0.00 C ATOM 629 C VAL A 40 -9.734 43.694 -0.012 1.00 0.00 C ATOM 630 O VAL A 40 -8.680 43.106 -0.234 1.00 0.00 O ATOM 631 CB VAL A 40 -9.204 44.643 2.236 1.00 0.00 C ATOM 632 CG1 VAL A 40 -7.906 43.829 2.313 1.00 0.00 C ATOM 633 CG2 VAL A 40 -8.921 45.992 1.571 1.00 0.00 C ATOM 0 H VAL A 40 -9.698 41.937 2.026 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.175 44.442 1.387 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.589 44.807 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.167 44.376 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.106 42.869 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.520 43.663 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.181 46.538 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.538 45.828 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.842 46.572 1.519 1.00 0.00 H new ATOM 643 N THR A 41 -10.486 44.221 -0.973 1.00 0.00 N ATOM 644 CA THR A 41 -10.101 44.122 -2.382 1.00 0.00 C ATOM 645 C THR A 41 -9.340 45.365 -2.821 1.00 0.00 C ATOM 646 O THR A 41 -9.829 46.486 -2.681 1.00 0.00 O ATOM 647 CB THR A 41 -11.349 43.947 -3.249 1.00 0.00 C ATOM 648 OG1 THR A 41 -11.951 42.691 -2.959 1.00 0.00 O ATOM 649 CG2 THR A 41 -10.958 43.997 -4.727 1.00 0.00 C ATOM 0 H THR A 41 -11.361 44.719 -0.807 1.00 0.00 H new ATOM 0 HA THR A 41 -9.450 43.256 -2.503 1.00 0.00 H new ATOM 0 HB THR A 41 -12.056 44.749 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.752 42.577 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.848 43.872 -5.343 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.495 44.959 -4.949 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.251 43.196 -4.944 1.00 0.00 H new ATOM 657 N PHE A 42 -8.137 45.164 -3.360 1.00 0.00 N ATOM 658 CA PHE A 42 -7.327 46.287 -3.818 1.00 0.00 C ATOM 659 C PHE A 42 -6.537 45.911 -5.067 1.00 0.00 C ATOM 660 O PHE A 42 -5.961 44.825 -5.146 1.00 0.00 O ATOM 661 CB PHE A 42 -6.350 46.706 -2.703 1.00 0.00 C ATOM 662 CG PHE A 42 -6.048 48.184 -2.818 1.00 0.00 C ATOM 663 CD1 PHE A 42 -7.084 49.118 -2.671 1.00 0.00 C ATOM 664 CD2 PHE A 42 -4.746 48.621 -3.076 1.00 0.00 C ATOM 665 CE1 PHE A 42 -6.816 50.483 -2.779 1.00 0.00 C ATOM 666 CE2 PHE A 42 -4.477 49.989 -3.183 1.00 0.00 C ATOM 667 CZ PHE A 42 -5.509 50.919 -3.033 1.00 0.00 C ATOM 0 H PHE A 42 -7.709 44.247 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.991 47.116 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.783 46.488 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.428 46.130 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.091 48.780 -2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.948 47.903 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.614 51.202 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.471 50.327 -3.382 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.299 51.975 -3.113 1.00 0.00 H new ATOM 677 N CYS A 43 -6.511 46.814 -6.039 1.00 0.00 N ATOM 678 CA CYS A 43 -5.781 46.569 -7.277 1.00 0.00 C ATOM 679 C CYS A 43 -5.992 45.136 -7.756 1.00 0.00 C ATOM 680 O CYS A 43 -5.093 44.530 -8.339 1.00 0.00 O ATOM 681 CB CYS A 43 -4.287 46.832 -7.066 1.00 0.00 C ATOM 682 SG CYS A 43 -3.547 45.450 -6.161 1.00 0.00 S ATOM 0 H CYS A 43 -6.983 47.717 -5.995 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.162 47.248 -8.039 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.790 46.957 -8.028 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.146 47.760 -6.512 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.471 44.821 -5.497 1.00 0.00 H new ATOM 688 N GLY A 44 -7.179 44.602 -7.499 1.00 0.00 N ATOM 689 CA GLY A 44 -7.493 43.241 -7.910 1.00 0.00 C ATOM 690 C GLY A 44 -6.832 42.217 -6.997 1.00 0.00 C ATOM 691 O GLY A 44 -6.445 41.135 -7.440 1.00 0.00 O ATOM 0 H GLY A 44 -7.934 45.086 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.573 43.096 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.161 43.084 -8.936 1.00 0.00 H new ATOM 695 N GLN A 45 -6.701 42.564 -5.720 1.00 0.00 N ATOM 696 CA GLN A 45 -6.083 41.663 -4.748 1.00 0.00 C ATOM 697 C GLN A 45 -6.895 41.642 -3.463 1.00 0.00 C ATOM 698 O GLN A 45 -7.239 42.689 -2.916 1.00 0.00 O ATOM 699 CB GLN A 45 -4.655 42.104 -4.450 1.00 0.00 C ATOM 700 CG GLN A 45 -3.793 41.916 -5.698 1.00 0.00 C ATOM 701 CD GLN A 45 -2.356 42.336 -5.406 1.00 0.00 C ATOM 702 OE1 GLN A 45 -1.388 41.476 -5.573 1.00 0.00 O flip ATOM 703 NE2 GLN A 45 -2.108 43.477 -5.017 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.012 43.456 -5.334 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.061 40.659 -5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.643 43.149 -4.141 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.248 41.522 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.819 40.873 -6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.194 42.509 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.866 44.147 -4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.145 43.752 -4.825 1.00 0.00 H new ATOM 712 N THR A 46 -7.206 40.440 -2.980 1.00 0.00 N ATOM 713 CA THR A 46 -7.989 40.297 -1.755 1.00 0.00 C ATOM 714 C THR A 46 -7.124 39.792 -0.608 1.00 0.00 C ATOM 715 O THR A 46 -6.731 38.627 -0.579 1.00 0.00 O ATOM 716 CB THR A 46 -9.142 39.316 -1.988 1.00 0.00 C ATOM 717 OG1 THR A 46 -8.618 38.036 -2.313 1.00 0.00 O ATOM 718 CG2 THR A 46 -10.021 39.816 -3.138 1.00 0.00 C ATOM 0 H THR A 46 -6.931 39.559 -3.414 1.00 0.00 H new ATOM 0 HA THR A 46 -8.383 41.278 -1.489 1.00 0.00 H new ATOM 0 HB THR A 46 -9.742 39.244 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.867 37.829 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.840 39.116 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.426 40.796 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.423 39.893 -4.046 1.00 0.00 H new ATOM 726 N PHE A 47 -6.824 40.682 0.336 1.00 0.00 N ATOM 727 CA PHE A 47 -6.000 40.315 1.485 1.00 0.00 C ATOM 728 C PHE A 47 -6.887 39.906 2.656 1.00 0.00 C ATOM 729 O PHE A 47 -7.940 40.507 2.895 1.00 0.00 O ATOM 730 CB PHE A 47 -5.120 41.493 1.901 1.00 0.00 C ATOM 731 CG PHE A 47 -4.019 41.681 0.885 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.286 42.353 -0.311 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.734 41.189 1.142 1.00 0.00 C ATOM 734 CE1 PHE A 47 -3.264 42.535 -1.255 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.714 41.369 0.201 1.00 0.00 C ATOM 736 CZ PHE A 47 -1.979 42.041 -0.999 1.00 0.00 C ATOM 0 H PHE A 47 -7.136 41.653 0.329 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.365 39.475 1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.720 42.400 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.693 41.311 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.278 42.732 -0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.530 40.670 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.468 43.056 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.723 40.990 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.193 42.178 -1.726 1.00 0.00 H new ATOM 746 N GLN A 48 -6.465 38.870 3.375 1.00 0.00 N ATOM 747 CA GLN A 48 -7.233 38.376 4.515 1.00 0.00 C ATOM 748 C GLN A 48 -6.325 37.654 5.498 1.00 0.00 C ATOM 749 O GLN A 48 -5.229 37.215 5.144 1.00 0.00 O ATOM 750 CB GLN A 48 -8.331 37.425 4.039 1.00 0.00 C ATOM 751 CG GLN A 48 -7.700 36.247 3.293 1.00 0.00 C ATOM 752 CD GLN A 48 -8.790 35.347 2.719 1.00 0.00 C ATOM 753 OE1 GLN A 48 -9.848 35.831 2.321 1.00 0.00 O ATOM 754 NE2 GLN A 48 -8.592 34.060 2.654 1.00 0.00 N ATOM 0 H GLN A 48 -5.602 38.359 3.191 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.688 39.230 5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.907 37.063 4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.025 37.953 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.061 36.615 2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.065 35.676 3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.713 33.662 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.316 33.451 2.272 1.00 0.00 H new ATOM 763 N SER A 49 -6.785 37.522 6.738 1.00 0.00 N ATOM 764 CA SER A 49 -6.008 36.837 7.768 1.00 0.00 C ATOM 765 C SER A 49 -6.477 35.394 7.910 1.00 0.00 C ATOM 766 O SER A 49 -7.546 35.025 7.422 1.00 0.00 O ATOM 767 CB SER A 49 -6.160 37.555 9.107 1.00 0.00 C ATOM 768 OG SER A 49 -5.285 36.964 10.057 1.00 0.00 O ATOM 0 H SER A 49 -7.687 37.878 7.054 1.00 0.00 H new ATOM 0 HA SER A 49 -4.959 36.846 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.930 38.614 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.191 37.488 9.454 1.00 0.00 H new ATOM 0 HG SER A 49 -5.378 37.423 10.918 1.00 0.00 H new ATOM 774 N SER A 50 -5.670 34.581 8.582 1.00 0.00 N ATOM 775 CA SER A 50 -6.009 33.175 8.789 1.00 0.00 C ATOM 776 C SER A 50 -6.760 32.998 10.101 1.00 0.00 C ATOM 777 O SER A 50 -7.148 31.885 10.461 1.00 0.00 O ATOM 778 CB SER A 50 -4.738 32.329 8.812 1.00 0.00 C ATOM 779 OG SER A 50 -3.982 32.644 9.973 1.00 0.00 O ATOM 0 H SER A 50 -4.781 34.868 8.991 1.00 0.00 H new ATOM 0 HA SER A 50 -6.647 32.849 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.993 31.269 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.146 32.518 7.917 1.00 0.00 H new ATOM 0 HG SER A 50 -3.167 32.100 9.990 1.00 0.00 H new ATOM 785 N GLU A 51 -6.969 34.104 10.817 1.00 0.00 N ATOM 786 CA GLU A 51 -7.681 34.061 12.095 1.00 0.00 C ATOM 787 C GLU A 51 -8.843 35.053 12.093 1.00 0.00 C ATOM 788 O GLU A 51 -8.683 36.212 11.724 1.00 0.00 O ATOM 789 CB GLU A 51 -6.721 34.399 13.235 1.00 0.00 C ATOM 790 CG GLU A 51 -7.439 34.223 14.574 1.00 0.00 C ATOM 791 CD GLU A 51 -6.473 34.495 15.722 1.00 0.00 C ATOM 792 OE1 GLU A 51 -5.416 35.047 15.463 1.00 0.00 O ATOM 793 OE2 GLU A 51 -6.802 34.144 16.843 1.00 0.00 O1- ATOM 0 H GLU A 51 -6.658 35.034 10.536 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.077 33.056 12.239 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.845 33.751 13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.365 35.424 13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.288 34.904 14.633 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.836 33.211 14.653 1.00 0.00 H new ATOM 800 N PHE A 52 -10.010 34.580 12.497 1.00 0.00 N ATOM 801 CA PHE A 52 -11.201 35.424 12.535 1.00 0.00 C ATOM 802 C PHE A 52 -11.149 36.360 13.736 1.00 0.00 C ATOM 803 O PHE A 52 -10.630 36.007 14.789 1.00 0.00 O ATOM 804 CB PHE A 52 -12.472 34.557 12.610 1.00 0.00 C ATOM 805 CG PHE A 52 -12.092 33.126 12.928 1.00 0.00 C ATOM 806 CD1 PHE A 52 -11.406 32.370 11.978 1.00 0.00 C ATOM 807 CD2 PHE A 52 -12.418 32.576 14.164 1.00 0.00 C ATOM 808 CE1 PHE A 52 -11.042 31.044 12.265 1.00 0.00 C ATOM 809 CE2 PHE A 52 -12.062 31.253 14.459 1.00 0.00 C ATOM 810 CZ PHE A 52 -11.374 30.486 13.508 1.00 0.00 C ATOM 0 H PHE A 52 -10.162 33.619 12.803 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.229 36.017 11.621 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.144 34.944 13.376 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.010 34.599 11.663 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.155 32.804 11.022 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.946 33.169 14.896 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.509 30.457 11.532 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.317 30.825 15.417 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.100 29.466 13.733 1.00 0.00 H new ATOM 820 N PHE A 53 -11.687 37.547 13.557 1.00 0.00 N ATOM 821 CA PHE A 53 -11.702 38.546 14.629 1.00 0.00 C ATOM 822 C PHE A 53 -13.050 38.540 15.358 1.00 0.00 C ATOM 823 O PHE A 53 -14.090 38.295 14.741 1.00 0.00 O ATOM 824 CB PHE A 53 -11.414 39.946 14.071 1.00 0.00 C ATOM 825 CG PHE A 53 -10.654 39.818 12.773 1.00 0.00 C ATOM 826 CD1 PHE A 53 -11.321 39.413 11.611 1.00 0.00 C ATOM 827 CD2 PHE A 53 -9.288 40.103 12.728 1.00 0.00 C ATOM 828 CE1 PHE A 53 -10.623 39.293 10.405 1.00 0.00 C ATOM 829 CE2 PHE A 53 -8.593 39.979 11.527 1.00 0.00 C ATOM 830 CZ PHE A 53 -9.255 39.577 10.361 1.00 0.00 C ATOM 0 H PHE A 53 -12.121 37.853 12.686 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.919 38.285 15.341 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.348 40.484 13.908 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -10.834 40.525 14.790 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.378 39.193 11.646 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.771 40.419 13.622 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.140 38.981 9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.535 40.195 11.495 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.712 39.487 9.432 1.00 0.00 H new ATOM 840 N PRO A 54 -13.048 38.807 16.640 1.00 0.00 N ATOM 841 CA PRO A 54 -14.291 38.815 17.455 1.00 0.00 C ATOM 842 C PRO A 54 -15.162 40.032 17.180 1.00 0.00 C ATOM 843 O PRO A 54 -16.275 40.133 17.695 1.00 0.00 O ATOM 844 CB PRO A 54 -13.775 38.825 18.903 1.00 0.00 C ATOM 845 CG PRO A 54 -12.411 39.445 18.842 1.00 0.00 C ATOM 846 CD PRO A 54 -11.856 39.141 17.445 1.00 0.00 C ATOM 0 HA PRO A 54 -14.930 37.961 17.228 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.438 39.399 19.551 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.728 37.815 19.309 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.466 40.520 19.012 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.763 39.033 19.615 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.326 40.000 17.033 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.149 38.312 17.470 1.00 0.00 H new ATOM 854 N THR A 55 -14.646 40.968 16.388 1.00 0.00 N ATOM 855 CA THR A 55 -15.389 42.189 16.072 1.00 0.00 C ATOM 856 C THR A 55 -15.306 42.504 14.584 1.00 0.00 C ATOM 857 O THR A 55 -14.384 42.063 13.898 1.00 0.00 O ATOM 858 CB THR A 55 -14.813 43.361 16.874 1.00 0.00 C ATOM 859 OG1 THR A 55 -14.876 43.066 18.263 1.00 0.00 O ATOM 860 CG2 THR A 55 -15.616 44.626 16.579 1.00 0.00 C ATOM 0 H THR A 55 -13.724 40.908 15.955 1.00 0.00 H new ATOM 0 HA THR A 55 -16.435 42.036 16.337 1.00 0.00 H new ATOM 0 HB THR A 55 -13.773 43.519 16.587 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.506 43.816 18.774 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.206 45.459 17.150 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.559 44.853 15.514 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.657 44.470 16.862 1.00 0.00 H new ATOM 868 N LEU A 56 -16.294 43.242 14.092 1.00 0.00 N ATOM 869 CA LEU A 56 -16.330 43.578 12.677 1.00 0.00 C ATOM 870 C LEU A 56 -15.170 44.489 12.315 1.00 0.00 C ATOM 871 O LEU A 56 -14.317 44.137 11.502 1.00 0.00 O ATOM 872 CB LEU A 56 -17.666 44.272 12.342 1.00 0.00 C ATOM 873 CG LEU A 56 -18.294 43.622 11.104 1.00 0.00 C ATOM 874 CD1 LEU A 56 -19.702 44.158 10.905 1.00 0.00 C ATOM 875 CD2 LEU A 56 -17.440 43.950 9.873 1.00 0.00 C ATOM 0 H LEU A 56 -17.068 43.613 14.643 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.243 42.659 12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.348 44.196 13.189 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -17.499 45.334 12.161 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.338 42.542 11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -20.147 43.695 10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -20.307 43.926 11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.664 45.238 10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.883 43.490 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.398 45.031 9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.431 43.563 10.017 1.00 0.00 H new ATOM 887 N LYS A 57 -15.159 45.694 12.885 1.00 0.00 N ATOM 888 CA LYS A 57 -14.130 46.663 12.567 1.00 0.00 C ATOM 889 C LYS A 57 -12.757 46.052 12.733 1.00 0.00 C ATOM 890 O LYS A 57 -11.839 46.383 11.992 1.00 0.00 O ATOM 891 CB LYS A 57 -14.266 47.882 13.491 1.00 0.00 C ATOM 892 CG LYS A 57 -15.550 48.649 13.156 1.00 0.00 C ATOM 893 CD LYS A 57 -15.695 49.848 14.096 1.00 0.00 C ATOM 894 CE LYS A 57 -16.952 50.639 13.725 1.00 0.00 C ATOM 895 NZ LYS A 57 -18.156 49.786 13.940 1.00 0.00 N1+ ATOM 0 H LYS A 57 -15.850 46.014 13.564 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.252 46.974 11.529 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.285 47.560 14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.401 48.535 13.376 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.523 48.988 12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.414 47.991 13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.759 49.508 15.130 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.816 50.488 14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.019 51.542 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.900 50.958 12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.001 50.389 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.261 49.127 13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.046 49.247 14.823 1.00 0.00 H new ATOM 909 N SER A 58 -12.625 45.142 13.687 1.00 0.00 N ATOM 910 CA SER A 58 -11.350 44.476 13.914 1.00 0.00 C ATOM 911 C SER A 58 -10.882 43.781 12.643 1.00 0.00 C ATOM 912 O SER A 58 -9.686 43.748 12.341 1.00 0.00 O ATOM 913 CB SER A 58 -11.492 43.448 15.037 1.00 0.00 C ATOM 914 OG SER A 58 -11.596 44.127 16.283 1.00 0.00 O ATOM 0 H SER A 58 -13.377 44.850 14.311 1.00 0.00 H new ATOM 0 HA SER A 58 -10.612 45.226 14.200 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.375 42.830 14.871 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.632 42.779 15.045 1.00 0.00 H new ATOM 0 HG SER A 58 -11.705 43.472 17.004 1.00 0.00 H new ATOM 920 N ALA A 59 -11.831 43.217 11.904 1.00 0.00 N ATOM 921 CA ALA A 59 -11.513 42.523 10.664 1.00 0.00 C ATOM 922 C ALA A 59 -11.097 43.520 9.589 1.00 0.00 C ATOM 923 O ALA A 59 -10.080 43.340 8.919 1.00 0.00 O ATOM 924 CB ALA A 59 -12.737 41.738 10.184 1.00 0.00 C ATOM 0 H ALA A 59 -12.823 43.227 12.142 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.687 41.837 10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.496 41.220 9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -13.022 41.009 10.943 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -13.565 42.425 10.011 1.00 0.00 H new ATOM 930 N GLU A 60 -11.892 44.575 9.438 1.00 0.00 N ATOM 931 CA GLU A 60 -11.606 45.607 8.444 1.00 0.00 C ATOM 932 C GLU A 60 -10.266 46.272 8.739 1.00 0.00 C ATOM 933 O GLU A 60 -9.482 46.536 7.828 1.00 0.00 O ATOM 934 CB GLU A 60 -12.715 46.660 8.454 1.00 0.00 C ATOM 935 CG GLU A 60 -14.015 46.042 7.935 1.00 0.00 C ATOM 936 CD GLU A 60 -15.145 47.067 8.004 1.00 0.00 C ATOM 937 OE1 GLU A 60 -14.872 48.198 8.373 1.00 0.00 O ATOM 938 OE2 GLU A 60 -16.267 46.705 7.690 1.00 0.00 O1- ATOM 0 H GLU A 60 -12.736 44.738 9.988 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.559 45.140 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.860 47.040 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.430 47.508 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.882 45.704 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.272 45.164 8.528 1.00 0.00 H new ATOM 945 N HIS A 61 -10.008 46.536 10.013 1.00 0.00 N ATOM 946 CA HIS A 61 -8.753 47.164 10.408 1.00 0.00 C ATOM 947 C HIS A 61 -7.569 46.249 10.095 1.00 0.00 C ATOM 948 O HIS A 61 -6.564 46.689 9.549 1.00 0.00 O ATOM 949 CB HIS A 61 -8.791 47.492 11.915 1.00 0.00 C ATOM 950 CG HIS A 61 -7.891 46.551 12.677 1.00 0.00 C ATOM 951 ND1 HIS A 61 -8.385 45.493 13.413 1.00 0.00 N ATOM 952 CD2 HIS A 61 -6.525 46.482 12.784 1.00 0.00 C ATOM 953 CE1 HIS A 61 -7.336 44.834 13.930 1.00 0.00 C ATOM 954 NE2 HIS A 61 -6.177 45.396 13.577 1.00 0.00 N ATOM 0 H HIS A 61 -10.643 46.328 10.784 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.628 48.087 9.842 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.474 48.522 12.078 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -9.812 47.410 12.287 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.828 47.166 12.323 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.419 43.957 14.555 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.238 45.093 13.834 1.00 0.00 H new ATOM 962 N ALA A 62 -7.691 44.986 10.488 1.00 0.00 N ATOM 963 CA ALA A 62 -6.620 44.029 10.268 1.00 0.00 C ATOM 964 C ALA A 62 -6.451 43.767 8.777 1.00 0.00 C ATOM 965 O ALA A 62 -5.336 43.620 8.286 1.00 0.00 O ATOM 966 CB ALA A 62 -6.930 42.714 10.989 1.00 0.00 C ATOM 0 H ALA A 62 -8.514 44.606 10.956 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.694 44.445 10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.120 42.005 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.028 42.900 12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.863 42.300 10.606 1.00 0.00 H new ATOM 972 N ALA A 63 -7.567 43.704 8.060 1.00 0.00 N ATOM 973 CA ALA A 63 -7.522 43.440 6.626 1.00 0.00 C ATOM 974 C ALA A 63 -6.702 44.499 5.907 1.00 0.00 C ATOM 975 O ALA A 63 -5.759 44.182 5.180 1.00 0.00 O ATOM 976 CB ALA A 63 -8.943 43.429 6.057 1.00 0.00 C ATOM 0 H ALA A 63 -8.504 43.830 8.442 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.053 42.468 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.904 43.231 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.526 42.650 6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.412 44.397 6.231 1.00 0.00 H new ATOM 982 N ALA A 64 -7.057 45.763 6.120 1.00 0.00 N ATOM 983 CA ALA A 64 -6.339 46.864 5.488 1.00 0.00 C ATOM 984 C ALA A 64 -4.917 46.945 6.022 1.00 0.00 C ATOM 985 O ALA A 64 -3.994 47.261 5.288 1.00 0.00 O ATOM 986 CB ALA A 64 -7.072 48.182 5.759 1.00 0.00 C ATOM 0 H ALA A 64 -7.831 46.048 6.720 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.299 46.687 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.533 49.002 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.081 48.128 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.124 48.355 6.834 1.00 0.00 H new ATOM 992 N LYS A 65 -4.755 46.674 7.311 1.00 0.00 N ATOM 993 CA LYS A 65 -3.438 46.725 7.936 1.00 0.00 C ATOM 994 C LYS A 65 -2.484 45.770 7.233 1.00 0.00 C ATOM 995 O LYS A 65 -1.336 46.124 6.948 1.00 0.00 O ATOM 996 CB LYS A 65 -3.550 46.336 9.413 1.00 0.00 C ATOM 997 CG LYS A 65 -2.188 46.498 10.088 1.00 0.00 C ATOM 998 CD LYS A 65 -2.316 46.188 11.581 1.00 0.00 C ATOM 999 CE LYS A 65 -0.957 46.365 12.259 1.00 0.00 C ATOM 1000 NZ LYS A 65 -1.089 46.087 13.718 1.00 0.00 N1+ ATOM 0 H LYS A 65 -5.514 46.418 7.942 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.051 47.741 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.291 46.963 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.892 45.305 9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.461 45.829 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.819 47.514 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.051 46.850 12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.674 45.168 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.226 45.690 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.590 47.380 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.165 46.207 14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.774 46.748 14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.421 45.111 13.857 1.00 0.00 H new ATOM 1014 N ILE A 66 -2.958 44.557 6.941 1.00 0.00 N ATOM 1015 CA ILE A 66 -2.127 43.573 6.266 1.00 0.00 C ATOM 1016 C ILE A 66 -1.694 44.090 4.897 1.00 0.00 C ATOM 1017 O ILE A 66 -0.542 43.916 4.497 1.00 0.00 O ATOM 1018 CB ILE A 66 -2.913 42.260 6.103 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -3.100 41.606 7.475 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -2.141 41.310 5.187 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -4.143 40.491 7.371 1.00 0.00 C ATOM 0 H ILE A 66 -3.902 44.240 7.161 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.236 43.392 6.867 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.888 42.473 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.152 41.200 7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.420 42.351 8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.699 40.381 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.007 41.775 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.166 41.096 5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.276 40.025 8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.092 40.910 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.805 39.742 6.655 1.00 0.00 H new ATOM 1033 N ALA A 67 -2.626 44.707 4.183 1.00 0.00 N ATOM 1034 CA ALA A 67 -2.332 45.237 2.853 1.00 0.00 C ATOM 1035 C ALA A 67 -1.452 46.477 2.964 1.00 0.00 C ATOM 1036 O ALA A 67 -0.454 46.609 2.262 1.00 0.00 O ATOM 1037 CB ALA A 67 -3.628 45.585 2.127 1.00 0.00 C ATOM 0 H ALA A 67 -3.585 44.853 4.497 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.800 44.475 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.396 45.979 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.241 44.689 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.174 46.336 2.698 1.00 0.00 H new ATOM 1043 N VAL A 68 -1.825 47.382 3.858 1.00 0.00 N ATOM 1044 CA VAL A 68 -1.065 48.606 4.055 1.00 0.00 C ATOM 1045 C VAL A 68 0.388 48.278 4.373 1.00 0.00 C ATOM 1046 O VAL A 68 1.308 48.939 3.876 1.00 0.00 O ATOM 1047 CB VAL A 68 -1.677 49.424 5.206 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -0.645 50.428 5.736 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -2.909 50.182 4.701 1.00 0.00 C ATOM 0 H VAL A 68 -2.646 47.291 4.456 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.103 49.193 3.137 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.969 48.747 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.083 51.005 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.230 49.891 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.348 51.103 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.340 50.760 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.617 50.855 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.647 49.471 4.331 1.00 0.00 H new ATOM 1059 N ALA A 69 0.592 47.264 5.204 1.00 0.00 N ATOM 1060 CA ALA A 69 1.942 46.863 5.578 1.00 0.00 C ATOM 1061 C ALA A 69 2.630 46.162 4.412 1.00 0.00 C ATOM 1062 O ALA A 69 3.854 46.051 4.374 1.00 0.00 O ATOM 1063 CB ALA A 69 1.897 45.927 6.786 1.00 0.00 C ATOM 0 H ALA A 69 -0.151 46.709 5.628 1.00 0.00 H new ATOM 0 HA ALA A 69 2.508 47.757 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.911 45.634 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.431 46.440 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.317 45.039 6.537 1.00 0.00 H new ATOM 1069 N SER A 70 1.832 45.671 3.468 1.00 0.00 N ATOM 1070 CA SER A 70 2.376 44.971 2.306 1.00 0.00 C ATOM 1071 C SER A 70 2.704 45.966 1.200 1.00 0.00 C ATOM 1072 O SER A 70 3.614 45.745 0.400 1.00 0.00 O ATOM 1073 CB SER A 70 1.364 43.951 1.787 1.00 0.00 C ATOM 1074 OG SER A 70 0.322 44.629 1.097 1.00 0.00 O ATOM 0 H SER A 70 0.815 45.743 3.483 1.00 0.00 H new ATOM 0 HA SER A 70 3.287 44.454 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.855 43.242 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.952 43.376 2.617 1.00 0.00 H new ATOM 0 HG SER A 70 0.146 45.489 1.533 1.00 0.00 H new ATOM 1080 N LEU A 71 1.965 47.070 1.162 1.00 0.00 N ATOM 1081 CA LEU A 71 2.190 48.101 0.158 1.00 0.00 C ATOM 1082 C LEU A 71 3.498 48.833 0.411 1.00 0.00 C ATOM 1083 O LEU A 71 4.149 49.300 -0.526 1.00 0.00 O ATOM 1084 CB LEU A 71 1.030 49.099 0.159 1.00 0.00 C ATOM 1085 CG LEU A 71 -0.229 48.420 -0.395 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -1.437 49.337 -0.189 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -0.046 48.135 -1.894 1.00 0.00 C ATOM 0 H LEU A 71 1.207 47.273 1.814 1.00 0.00 H new ATOM 0 HA LEU A 71 2.249 47.616 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.847 49.459 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.284 49.969 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.394 47.480 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.332 48.854 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.568 49.532 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.272 50.279 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.942 47.653 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.122 49.072 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.812 47.478 -2.037 1.00 0.00 H new ATOM 1248 N TYR A 83 15.024 61.394 11.010 1.00 0.00 N ATOM 1249 CA TYR A 83 13.926 62.262 10.576 1.00 0.00 C ATOM 1250 C TYR A 83 14.394 63.150 9.411 1.00 0.00 C ATOM 1251 O TYR A 83 13.573 63.723 8.704 1.00 0.00 O ATOM 1252 CB TYR A 83 13.457 63.130 11.747 1.00 0.00 C ATOM 1253 CG TYR A 83 13.456 62.308 13.016 1.00 0.00 C ATOM 1254 CD1 TYR A 83 12.840 61.050 13.037 1.00 0.00 C ATOM 1255 CD2 TYR A 83 14.070 62.805 14.172 1.00 0.00 C ATOM 1256 CE1 TYR A 83 12.837 60.293 14.213 1.00 0.00 C ATOM 1257 CE2 TYR A 83 14.067 62.047 15.348 1.00 0.00 C ATOM 1258 CZ TYR A 83 13.451 60.790 15.369 1.00 0.00 C ATOM 1259 OH TYR A 83 13.447 60.043 16.529 1.00 0.00 O ATOM 0 HA TYR A 83 13.093 61.646 10.238 1.00 0.00 H new ATOM 0 HB2 TYR A 83 14.114 63.992 11.860 1.00 0.00 H new ATOM 0 HB3 TYR A 83 12.457 63.515 11.550 1.00 0.00 H new ATOM 0 HD1 TYR A 83 12.368 60.665 12.145 1.00 0.00 H new ATOM 0 HD2 TYR A 83 14.546 63.774 14.156 1.00 0.00 H new ATOM 0 HE1 TYR A 83 12.361 59.324 14.229 1.00 0.00 H new ATOM 0 HE2 TYR A 83 14.540 62.432 16.240 1.00 0.00 H new ATOM 0 HH TYR A 83 13.436 59.089 16.304 1.00 0.00 H new ATOM 1269 N LYS A 84 15.710 63.228 9.242 1.00 0.00 N ATOM 1270 CA LYS A 84 16.289 64.029 8.162 1.00 0.00 C ATOM 1271 C LYS A 84 15.669 63.582 6.835 1.00 0.00 C ATOM 1272 O LYS A 84 15.378 64.404 5.966 1.00 0.00 O ATOM 1273 CB LYS A 84 17.800 63.858 8.133 1.00 0.00 C ATOM 1274 CG LYS A 84 18.398 64.490 9.389 1.00 0.00 C ATOM 1275 CD LYS A 84 19.919 64.341 9.361 1.00 0.00 C ATOM 1276 CE LYS A 84 20.517 64.952 10.629 1.00 0.00 C ATOM 1277 NZ LYS A 84 22.000 64.809 10.596 1.00 0.00 N1+ ATOM 0 H LYS A 84 16.393 62.752 9.832 1.00 0.00 H new ATOM 0 HA LYS A 84 16.075 65.085 8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 84 18.058 62.800 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.215 64.328 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.126 65.544 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 84 17.991 64.010 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.190 63.288 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.327 64.835 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.244 66.005 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.112 64.455 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 22.378 64.884 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 22.251 63.882 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 22.408 65.562 10.006 1.00 0.00 H new ATOM 1291 N ASN A 85 15.484 62.272 6.696 1.00 0.00 N ATOM 1292 CA ASN A 85 14.894 61.718 5.472 1.00 0.00 C ATOM 1293 C ASN A 85 13.477 62.255 5.298 1.00 0.00 C ATOM 1294 O ASN A 85 13.062 62.612 4.195 1.00 0.00 O ATOM 1295 CB ASN A 85 14.859 60.191 5.552 1.00 0.00 C ATOM 1296 CG ASN A 85 13.478 59.680 5.154 1.00 0.00 C ATOM 1297 OD1 ASN A 85 12.586 60.471 4.852 1.00 0.00 O ATOM 1298 ND2 ASN A 85 13.249 58.396 5.138 1.00 0.00 N ATOM 0 H ASN A 85 15.729 61.579 7.403 1.00 0.00 H new ATOM 0 HA ASN A 85 15.502 62.015 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.617 59.767 4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 85 15.098 59.866 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.328 58.045 4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.991 57.742 5.389 1.00 0.00 H new ATOM 1305 N LEU A 86 12.738 62.302 6.404 1.00 0.00 N ATOM 1306 CA LEU A 86 11.371 62.793 6.368 1.00 0.00 C ATOM 1307 C LEU A 86 11.341 64.258 5.943 1.00 0.00 C ATOM 1308 O LEU A 86 10.539 64.654 5.095 1.00 0.00 O ATOM 1309 CB LEU A 86 10.729 62.642 7.750 1.00 0.00 C ATOM 1310 CG LEU A 86 9.246 63.072 7.687 1.00 0.00 C ATOM 1311 CD1 LEU A 86 8.395 62.120 8.533 1.00 0.00 C ATOM 1312 CD2 LEU A 86 9.103 64.499 8.227 1.00 0.00 C ATOM 0 H LEU A 86 13.062 62.008 7.325 1.00 0.00 H new ATOM 0 HA LEU A 86 10.809 62.206 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.803 61.607 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.264 63.252 8.478 1.00 0.00 H new ATOM 0 HG LEU A 86 8.906 63.038 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.350 62.427 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.493 61.105 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.736 62.150 9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.057 64.802 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.447 64.533 9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.704 65.179 7.622 1.00 0.00 H new ATOM 1324 N LEU A 87 12.219 65.054 6.542 1.00 0.00 N ATOM 1325 CA LEU A 87 12.287 66.477 6.229 1.00 0.00 C ATOM 1326 C LEU A 87 12.534 66.676 4.740 1.00 0.00 C ATOM 1327 O LEU A 87 12.051 67.637 4.142 1.00 0.00 O ATOM 1328 CB LEU A 87 13.407 67.131 7.037 1.00 0.00 C ATOM 1329 CG LEU A 87 13.084 67.017 8.534 1.00 0.00 C ATOM 1330 CD1 LEU A 87 14.249 67.583 9.352 1.00 0.00 C ATOM 1331 CD2 LEU A 87 11.802 67.808 8.850 1.00 0.00 C ATOM 0 H LEU A 87 12.890 64.741 7.243 1.00 0.00 H new ATOM 0 HA LEU A 87 11.338 66.943 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.359 66.646 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.512 68.178 6.754 1.00 0.00 H new ATOM 0 HG LEU A 87 12.933 65.969 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.020 67.502 10.415 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.156 67.019 9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.401 68.631 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.576 67.725 9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.948 68.857 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.973 67.403 8.270 1.00 0.00 H new ATOM 1343 N GLN A 88 13.290 65.761 4.147 1.00 0.00 N ATOM 1344 CA GLN A 88 13.588 65.830 2.720 1.00 0.00 C ATOM 1345 C GLN A 88 12.366 65.420 1.895 1.00 0.00 C ATOM 1346 O GLN A 88 12.190 65.867 0.759 1.00 0.00 O ATOM 1347 CB GLN A 88 14.765 64.911 2.383 1.00 0.00 C ATOM 1348 CG GLN A 88 16.046 65.489 2.982 1.00 0.00 C ATOM 1349 CD GLN A 88 17.223 64.566 2.691 1.00 0.00 C ATOM 1350 OE1 GLN A 88 17.116 63.350 2.856 1.00 0.00 O ATOM 1351 NE2 GLN A 88 18.347 65.073 2.262 1.00 0.00 N ATOM 0 H GLN A 88 13.707 64.965 4.629 1.00 0.00 H new ATOM 0 HA GLN A 88 13.851 66.859 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.585 63.911 2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.867 64.814 1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.238 66.478 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.929 65.614 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.433 66.080 2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.139 64.462 2.063 1.00 0.00 H new ATOM 1360 N GLU A 89 11.530 64.564 2.480 1.00 0.00 N ATOM 1361 CA GLU A 89 10.328 64.097 1.792 1.00 0.00 C ATOM 1362 C GLU A 89 9.337 65.242 1.590 1.00 0.00 C ATOM 1363 O GLU A 89 8.760 65.390 0.516 1.00 0.00 O ATOM 1364 CB GLU A 89 9.670 62.975 2.610 1.00 0.00 C ATOM 1365 CG GLU A 89 9.469 61.740 1.730 1.00 0.00 C ATOM 1366 CD GLU A 89 8.561 62.090 0.553 1.00 0.00 C ATOM 1367 OE1 GLU A 89 7.794 63.031 0.680 1.00 0.00 O ATOM 1368 OE2 GLU A 89 8.649 61.414 -0.458 1.00 0.00 O1- ATOM 0 H GLU A 89 11.660 64.184 3.417 1.00 0.00 H new ATOM 0 HA GLU A 89 10.614 63.716 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.294 62.724 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.711 63.313 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.431 61.381 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.028 60.933 2.315 1.00 0.00 H new ATOM 1375 N ILE A 90 9.142 66.037 2.635 1.00 0.00 N ATOM 1376 CA ILE A 90 8.222 67.164 2.563 1.00 0.00 C ATOM 1377 C ILE A 90 8.788 68.245 1.650 1.00 0.00 C ATOM 1378 O ILE A 90 8.050 68.936 0.962 1.00 0.00 O ATOM 1379 CB ILE A 90 7.971 67.732 3.960 1.00 0.00 C ATOM 1380 CG1 ILE A 90 9.311 68.033 4.630 1.00 0.00 C ATOM 1381 CG2 ILE A 90 7.194 66.715 4.797 1.00 0.00 C ATOM 1382 CD1 ILE A 90 9.073 68.703 5.982 1.00 0.00 C ATOM 0 H ILE A 90 9.605 65.923 3.536 1.00 0.00 H new ATOM 0 HA ILE A 90 7.274 66.817 2.152 1.00 0.00 H new ATOM 0 HB ILE A 90 7.388 68.650 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 90 9.876 67.111 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.910 68.683 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.017 67.123 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.239 66.502 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.772 65.794 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.031 68.916 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.526 69.634 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.492 68.038 6.621 1.00 0.00 H new ATOM 1394 N ALA A 91 10.108 68.393 1.673 1.00 0.00 N ATOM 1395 CA ALA A 91 10.768 69.404 0.858 1.00 0.00 C ATOM 1396 C ALA A 91 10.364 69.256 -0.602 1.00 0.00 C ATOM 1397 O ALA A 91 9.973 70.226 -1.251 1.00 0.00 O ATOM 1398 CB ALA A 91 12.287 69.268 0.988 1.00 0.00 C ATOM 0 H ALA A 91 10.738 67.829 2.244 1.00 0.00 H new ATOM 0 HA ALA A 91 10.461 70.389 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.774 70.027 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.576 69.402 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.594 68.278 0.650 1.00 0.00 H new ATOM 1404 N GLN A 92 10.470 68.035 -1.119 1.00 0.00 N ATOM 1405 CA GLN A 92 10.118 67.775 -2.509 1.00 0.00 C ATOM 1406 C GLN A 92 8.611 67.896 -2.715 1.00 0.00 C ATOM 1407 O GLN A 92 8.155 68.454 -3.714 1.00 0.00 O ATOM 1408 CB GLN A 92 10.579 66.371 -2.911 1.00 0.00 C ATOM 1409 CG GLN A 92 12.110 66.310 -2.906 1.00 0.00 C ATOM 1410 CD GLN A 92 12.582 64.902 -3.256 1.00 0.00 C ATOM 1411 OE1 GLN A 92 11.772 64.049 -3.619 1.00 0.00 O ATOM 1412 NE2 GLN A 92 13.850 64.606 -3.165 1.00 0.00 N ATOM 0 H GLN A 92 10.794 67.218 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 92 10.618 68.515 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.174 65.633 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.199 66.122 -3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.512 67.025 -3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.489 66.595 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.519 65.315 -2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.172 63.666 -3.395 1.00 0.00 H new ATOM 1421 N LYS A 93 7.844 67.362 -1.767 1.00 0.00 N ATOM 1422 CA LYS A 93 6.389 67.409 -1.866 1.00 0.00 C ATOM 1423 C LYS A 93 5.901 68.854 -1.901 1.00 0.00 C ATOM 1424 O LYS A 93 5.136 69.238 -2.785 1.00 0.00 O ATOM 1425 CB LYS A 93 5.763 66.691 -0.666 1.00 0.00 C ATOM 1426 CG LYS A 93 4.242 66.645 -0.831 1.00 0.00 C ATOM 1427 CD LYS A 93 3.620 65.909 0.358 1.00 0.00 C ATOM 1428 CE LYS A 93 2.101 65.849 0.182 1.00 0.00 C ATOM 1429 NZ LYS A 93 1.493 65.155 1.353 1.00 0.00 N1+ ATOM 0 H LYS A 93 8.201 66.898 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 93 6.090 66.912 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.161 65.679 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.023 67.209 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.842 67.657 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.982 66.140 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.029 64.901 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.869 66.421 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.694 66.856 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.851 65.320 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.461 65.114 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.873 64.189 1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.721 65.677 2.223 1.00 0.00 H new ATOM 1443 N GLU A 94 6.351 69.650 -0.942 1.00 0.00 N ATOM 1444 CA GLU A 94 5.957 71.052 -0.875 1.00 0.00 C ATOM 1445 C GLU A 94 6.741 71.878 -1.887 1.00 0.00 C ATOM 1446 O GLU A 94 6.566 73.093 -1.982 1.00 0.00 O ATOM 1447 CB GLU A 94 6.200 71.600 0.532 1.00 0.00 C ATOM 1448 CG GLU A 94 5.339 70.830 1.534 1.00 0.00 C ATOM 1449 CD GLU A 94 3.861 71.071 1.251 1.00 0.00 C ATOM 1450 OE1 GLU A 94 3.558 72.055 0.596 1.00 0.00 O ATOM 1451 OE2 GLU A 94 3.055 70.263 1.680 1.00 0.00 O1- ATOM 0 H GLU A 94 6.987 69.352 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 94 4.895 71.121 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.254 71.506 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.957 72.662 0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.560 69.764 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.579 71.146 2.549 1.00 0.00 H new ATOM 1458 N SER A 95 7.612 71.212 -2.640 1.00 0.00 N ATOM 1459 CA SER A 95 8.422 71.899 -3.639 1.00 0.00 C ATOM 1460 C SER A 95 9.360 72.901 -2.972 1.00 0.00 C ATOM 1461 O SER A 95 10.009 73.702 -3.646 1.00 0.00 O ATOM 1462 CB SER A 95 7.516 72.624 -4.636 1.00 0.00 C ATOM 1463 OG SER A 95 8.245 72.885 -5.827 1.00 0.00 O ATOM 0 H SER A 95 7.774 70.207 -2.578 1.00 0.00 H new ATOM 0 HA SER A 95 9.021 71.158 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.640 72.015 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.155 73.558 -4.205 1.00 0.00 H new ATOM 0 HG SER A 95 9.094 73.320 -5.602 1.00 0.00 H new ATOM 1469 N SER A 96 9.422 72.851 -1.646 1.00 0.00 N ATOM 1470 CA SER A 96 10.285 73.759 -0.897 1.00 0.00 C ATOM 1471 C SER A 96 11.742 73.321 -1.009 1.00 0.00 C ATOM 1472 O SER A 96 12.034 72.146 -1.237 1.00 0.00 O ATOM 1473 CB SER A 96 9.871 73.779 0.575 1.00 0.00 C ATOM 1474 OG SER A 96 10.500 72.700 1.253 1.00 0.00 O ATOM 0 H SER A 96 8.890 72.198 -1.071 1.00 0.00 H new ATOM 0 HA SER A 96 10.181 74.760 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.156 74.727 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.788 73.696 0.661 1.00 0.00 H new ATOM 0 HG SER A 96 10.239 72.710 2.197 1.00 0.00 H new ATOM 1480 N LEU A 97 12.654 74.271 -0.844 1.00 0.00 N ATOM 1481 CA LEU A 97 14.078 73.971 -0.931 1.00 0.00 C ATOM 1482 C LEU A 97 14.497 73.046 0.202 1.00 0.00 C ATOM 1483 O LEU A 97 14.076 73.217 1.347 1.00 0.00 O ATOM 1484 CB LEU A 97 14.888 75.269 -0.852 1.00 0.00 C ATOM 1485 CG LEU A 97 14.364 76.264 -1.889 1.00 0.00 C ATOM 1486 CD1 LEU A 97 15.117 77.589 -1.751 1.00 0.00 C ATOM 1487 CD2 LEU A 97 14.580 75.698 -3.299 1.00 0.00 C ATOM 0 H LEU A 97 12.436 75.248 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 97 14.270 73.476 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 97 14.812 75.697 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 97 15.943 75.063 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 97 13.300 76.431 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 97 14.744 78.298 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 97 14.963 77.993 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.182 77.421 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 97 14.206 76.408 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.644 75.529 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 97 14.043 74.755 -3.399 1.00 0.00 H new ATOM 1499 N LEU A 98 15.326 72.057 -0.121 1.00 0.00 N ATOM 1500 CA LEU A 98 15.783 71.106 0.878 1.00 0.00 C ATOM 1501 C LEU A 98 16.162 71.822 2.174 1.00 0.00 C ATOM 1502 O LEU A 98 16.552 72.988 2.157 1.00 0.00 O ATOM 1503 CB LEU A 98 17.009 70.341 0.344 1.00 0.00 C ATOM 1504 CG LEU A 98 16.544 69.177 -0.537 1.00 0.00 C ATOM 1505 CD1 LEU A 98 15.671 69.715 -1.673 1.00 0.00 C ATOM 1506 CD2 LEU A 98 17.763 68.463 -1.123 1.00 0.00 C ATOM 0 H LEU A 98 15.691 71.897 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 98 14.971 70.409 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 98 17.648 71.012 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 98 17.606 69.966 1.175 1.00 0.00 H new ATOM 0 HG LEU A 98 15.966 68.474 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.340 68.888 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.802 70.224 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 98 16.248 70.418 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.433 67.635 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.342 69.165 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.384 68.080 -0.313 1.00 0.00 H new ATOM 1518 N PRO A 99 16.055 71.141 3.287 1.00 0.00 N ATOM 1519 CA PRO A 99 16.394 71.707 4.621 1.00 0.00 C ATOM 1520 C PRO A 99 17.878 72.033 4.743 1.00 0.00 C ATOM 1521 O PRO A 99 18.671 71.703 3.862 1.00 0.00 O ATOM 1522 CB PRO A 99 15.976 70.616 5.619 1.00 0.00 C ATOM 1523 CG PRO A 99 15.911 69.346 4.830 1.00 0.00 C ATOM 1524 CD PRO A 99 15.591 69.744 3.391 1.00 0.00 C ATOM 0 HA PRO A 99 15.883 72.653 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.696 70.534 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.010 70.847 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.858 68.808 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.144 68.681 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.104 69.100 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.524 69.663 3.184 1.00 0.00 H new ATOM 1532 N PHE A 100 18.251 72.666 5.857 1.00 0.00 N ATOM 1533 CA PHE A 100 19.657 73.005 6.093 1.00 0.00 C ATOM 1534 C PHE A 100 20.041 72.681 7.532 1.00 0.00 C ATOM 1535 O PHE A 100 19.599 73.343 8.473 1.00 0.00 O ATOM 1536 CB PHE A 100 19.886 74.486 5.820 1.00 0.00 C ATOM 1537 CG PHE A 100 21.362 74.748 5.675 1.00 0.00 C ATOM 1538 CD1 PHE A 100 21.983 74.572 4.433 1.00 0.00 C ATOM 1539 CD2 PHE A 100 22.110 75.167 6.780 1.00 0.00 C ATOM 1540 CE1 PHE A 100 23.353 74.816 4.295 1.00 0.00 C ATOM 1541 CE2 PHE A 100 23.482 75.409 6.643 1.00 0.00 C ATOM 1542 CZ PHE A 100 24.103 75.235 5.401 1.00 0.00 C ATOM 0 H PHE A 100 17.612 72.951 6.599 1.00 0.00 H new ATOM 0 HA PHE A 100 20.279 72.415 5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 100 19.362 74.785 4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 100 19.478 75.084 6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 100 21.404 74.248 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 100 21.630 75.304 7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 100 23.832 74.681 3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 100 24.061 75.730 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 100 25.161 75.424 5.295 1.00 0.00 H new ATOM 1552 N TYR A 101 20.868 71.648 7.706 1.00 0.00 N ATOM 1553 CA TYR A 101 21.292 71.236 9.039 1.00 0.00 C ATOM 1554 C TYR A 101 22.619 71.879 9.405 1.00 0.00 C ATOM 1555 O TYR A 101 23.602 71.762 8.674 1.00 0.00 O ATOM 1556 CB TYR A 101 21.443 69.711 9.086 1.00 0.00 C ATOM 1557 CG TYR A 101 20.136 69.062 8.697 1.00 0.00 C ATOM 1558 CD1 TYR A 101 19.121 68.900 9.647 1.00 0.00 C ATOM 1559 CD2 TYR A 101 19.937 68.627 7.381 1.00 0.00 C ATOM 1560 CE1 TYR A 101 17.909 68.301 9.282 1.00 0.00 C ATOM 1561 CE2 TYR A 101 18.728 68.030 7.014 1.00 0.00 C ATOM 1562 CZ TYR A 101 17.712 67.867 7.965 1.00 0.00 C ATOM 1563 OH TYR A 101 16.519 67.278 7.602 1.00 0.00 O ATOM 0 H TYR A 101 21.253 71.088 6.946 1.00 0.00 H new ATOM 0 HA TYR A 101 20.534 71.557 9.754 1.00 0.00 H new ATOM 0 HB2 TYR A 101 22.235 69.393 8.408 1.00 0.00 H new ATOM 0 HB3 TYR A 101 21.734 69.395 10.088 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.273 69.237 10.662 1.00 0.00 H new ATOM 0 HD2 TYR A 101 20.720 68.753 6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.127 68.174 10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 101 18.577 67.695 5.999 1.00 0.00 H new ATOM 0 HH TYR A 101 16.549 67.037 6.653 1.00 0.00 H new ATOM 1573 N ALA A 102 22.649 72.559 10.545 1.00 0.00 N ATOM 1574 CA ALA A 102 23.871 73.213 11.003 1.00 0.00 C ATOM 1575 C ALA A 102 24.005 73.068 12.511 1.00 0.00 C ATOM 1576 O ALA A 102 23.028 73.201 13.246 1.00 0.00 O ATOM 1577 CB ALA A 102 23.849 74.696 10.626 1.00 0.00 C ATOM 0 H ALA A 102 21.848 72.672 11.166 1.00 0.00 H new ATOM 0 HA ALA A 102 24.725 72.737 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 102 24.766 75.173 10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 102 23.776 74.795 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 102 22.990 75.178 11.093 1.00 0.00 H new ATOM 1583 N THR A 103 25.227 72.807 12.969 1.00 0.00 N ATOM 1584 CA THR A 103 25.486 72.649 14.397 1.00 0.00 C ATOM 1585 C THR A 103 26.636 73.537 14.828 1.00 0.00 C ATOM 1586 O THR A 103 27.631 73.678 14.114 1.00 0.00 O ATOM 1587 CB THR A 103 25.821 71.190 14.712 1.00 0.00 C ATOM 1588 OG1 THR A 103 26.441 71.111 15.988 1.00 0.00 O ATOM 1589 CG2 THR A 103 26.765 70.637 13.644 1.00 0.00 C ATOM 0 H THR A 103 26.049 72.701 12.375 1.00 0.00 H new ATOM 0 HA THR A 103 24.589 72.940 14.944 1.00 0.00 H new ATOM 0 HB THR A 103 24.904 70.601 14.719 1.00 0.00 H new ATOM 0 HG1 THR A 103 26.654 70.176 16.191 1.00 0.00 H new ATOM 0 HG21 THR A 103 27.002 69.598 13.871 1.00 0.00 H new ATOM 0 HG22 THR A 103 26.284 70.695 12.668 1.00 0.00 H new ATOM 0 HG23 THR A 103 27.683 71.224 13.631 1.00 0.00 H new ATOM 1597 N ALA A 104 26.493 74.142 16.004 1.00 0.00 N ATOM 1598 CA ALA A 104 27.530 75.026 16.537 1.00 0.00 C ATOM 1599 C ALA A 104 27.933 74.577 17.934 1.00 0.00 C ATOM 1600 O ALA A 104 27.113 74.053 18.689 1.00 0.00 O ATOM 1601 CB ALA A 104 27.015 76.464 16.594 1.00 0.00 C ATOM 0 H ALA A 104 25.675 74.039 16.604 1.00 0.00 H new ATOM 0 HA ALA A 104 28.398 74.980 15.880 1.00 0.00 H new ATOM 0 HB1 ALA A 104 27.794 77.114 16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 104 26.745 76.794 15.591 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.138 76.511 17.240 1.00 0.00 H new ATOM 1607 N THR A 105 29.206 74.776 18.280 1.00 0.00 N ATOM 1608 CA THR A 105 29.707 74.390 19.591 1.00 0.00 C ATOM 1609 C THR A 105 29.865 75.618 20.481 1.00 0.00 C ATOM 1610 O THR A 105 30.372 76.652 20.049 1.00 0.00 O ATOM 1611 CB THR A 105 31.053 73.690 19.440 1.00 0.00 C ATOM 1612 OG1 THR A 105 32.029 74.620 18.995 1.00 0.00 O ATOM 1613 CG2 THR A 105 30.932 72.546 18.429 1.00 0.00 C ATOM 0 H THR A 105 29.904 75.201 17.669 1.00 0.00 H new ATOM 0 HA THR A 105 28.992 73.710 20.054 1.00 0.00 H new ATOM 0 HB THR A 105 31.356 73.285 20.405 1.00 0.00 H new ATOM 0 HG1 THR A 105 31.720 75.532 19.179 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.897 72.049 18.325 1.00 0.00 H new ATOM 0 HG22 THR A 105 30.190 71.828 18.779 1.00 0.00 H new ATOM 0 HG23 THR A 105 30.623 72.945 17.463 1.00 0.00 H new ATOM 1621 N SER A 106 29.424 75.495 21.728 1.00 0.00 N ATOM 1622 CA SER A 106 29.519 76.601 22.671 1.00 0.00 C ATOM 1623 C SER A 106 29.379 76.096 24.098 1.00 0.00 C ATOM 1624 O SER A 106 28.939 74.967 24.327 1.00 0.00 O ATOM 1625 CB SER A 106 28.427 77.629 22.381 1.00 0.00 C ATOM 1626 OG SER A 106 28.544 78.068 21.033 1.00 0.00 O ATOM 0 H SER A 106 29.001 74.648 22.106 1.00 0.00 H new ATOM 0 HA SER A 106 30.496 77.070 22.557 1.00 0.00 H new ATOM 0 HB2 SER A 106 27.444 77.190 22.549 1.00 0.00 H new ATOM 0 HB3 SER A 106 28.518 78.476 23.061 1.00 0.00 H new ATOM 0 HG SER A 106 29.432 77.836 20.689 1.00 0.00 H new ATOM 1632 N GLY A 107 29.751 76.938 25.059 1.00 0.00 N ATOM 1633 CA GLY A 107 29.659 76.567 26.470 1.00 0.00 C ATOM 1634 C GLY A 107 31.035 76.573 27.128 1.00 0.00 C ATOM 1635 O GLY A 107 32.042 76.872 26.486 1.00 0.00 O ATOM 0 H GLY A 107 30.116 77.875 24.889 1.00 0.00 H new ATOM 0 HA2 GLY A 107 29.000 77.262 26.990 1.00 0.00 H new ATOM 0 HA3 GLY A 107 29.213 75.577 26.561 1.00 0.00 H new ATOM 1639 N PRO A 108 31.090 76.245 28.391 1.00 0.00 N ATOM 1640 CA PRO A 108 32.368 76.207 29.162 1.00 0.00 C ATOM 1641 C PRO A 108 33.352 75.185 28.600 1.00 0.00 C ATOM 1642 O PRO A 108 32.953 74.195 27.990 1.00 0.00 O ATOM 1643 CB PRO A 108 31.936 75.818 30.592 1.00 0.00 C ATOM 1644 CG PRO A 108 30.558 75.256 30.470 1.00 0.00 C ATOM 1645 CD PRO A 108 29.933 75.877 29.224 1.00 0.00 C ATOM 0 HA PRO A 108 32.891 77.162 29.118 1.00 0.00 H new ATOM 0 HB2 PRO A 108 32.620 75.084 31.020 1.00 0.00 H new ATOM 0 HB3 PRO A 108 31.946 76.686 31.252 1.00 0.00 H new ATOM 0 HG2 PRO A 108 30.590 74.170 30.385 1.00 0.00 H new ATOM 0 HG3 PRO A 108 29.966 75.489 31.355 1.00 0.00 H new ATOM 0 HD2 PRO A 108 29.280 75.171 28.711 1.00 0.00 H new ATOM 0 HD3 PRO A 108 29.327 76.748 29.473 1.00 0.00 H new ATOM 1653 N SER A 109 34.638 75.428 28.827 1.00 0.00 N ATOM 1654 CA SER A 109 35.670 74.515 28.354 1.00 0.00 C ATOM 1655 C SER A 109 35.603 73.201 29.125 1.00 0.00 C ATOM 1656 O SER A 109 36.170 72.191 28.704 1.00 0.00 O ATOM 1657 CB SER A 109 37.052 75.148 28.537 1.00 0.00 C ATOM 1658 OG SER A 109 37.239 76.155 27.555 1.00 0.00 O ATOM 0 H SER A 109 34.988 76.243 29.331 1.00 0.00 H new ATOM 0 HA SER A 109 35.502 74.316 27.295 1.00 0.00 H new ATOM 0 HB2 SER A 109 37.139 75.577 29.535 1.00 0.00 H new ATOM 0 HB3 SER A 109 37.828 74.388 28.447 1.00 0.00 H new ATOM 0 HG SER A 109 38.122 76.564 27.670 1.00 0.00 H new ATOM 1664 N HIS A 110 34.904 73.212 30.262 1.00 0.00 N ATOM 1665 CA HIS A 110 34.771 72.009 31.078 1.00 0.00 C ATOM 1666 C HIS A 110 33.531 71.227 30.674 1.00 0.00 C ATOM 1667 O HIS A 110 33.574 70.004 30.535 1.00 0.00 O ATOM 1668 CB HIS A 110 34.679 72.390 32.555 1.00 0.00 C ATOM 1669 CG HIS A 110 36.021 72.872 33.032 1.00 0.00 C ATOM 1670 ND1 HIS A 110 36.243 73.258 34.346 1.00 0.00 N ATOM 1671 CD2 HIS A 110 37.222 73.045 32.386 1.00 0.00 C ATOM 1672 CE1 HIS A 110 37.531 73.634 34.445 1.00 0.00 C ATOM 1673 NE2 HIS A 110 38.173 73.523 33.281 1.00 0.00 N ATOM 0 H HIS A 110 34.427 74.033 30.634 1.00 0.00 H new ATOM 0 HA HIS A 110 35.649 71.383 30.919 1.00 0.00 H new ATOM 0 HB2 HIS A 110 33.930 73.169 32.695 1.00 0.00 H new ATOM 0 HB3 HIS A 110 34.359 71.531 33.144 1.00 0.00 H new ATOM 0 HD2 HIS A 110 37.400 72.840 31.341 1.00 0.00 H new ATOM 0 HE1 HIS A 110 37.990 73.984 35.358 1.00 0.00 H new ATOM 0 HE2 HIS A 110 39.151 73.742 33.089 1.00 0.00 H new ATOM 1681 N ALA A 111 32.424 71.939 30.466 1.00 0.00 N ATOM 1682 CA ALA A 111 31.177 71.297 30.052 1.00 0.00 C ATOM 1683 C ALA A 111 30.643 71.957 28.786 1.00 0.00 C ATOM 1684 O ALA A 111 29.698 72.742 28.838 1.00 0.00 O ATOM 1685 CB ALA A 111 30.138 71.401 31.172 1.00 0.00 C ATOM 0 H ALA A 111 32.365 72.951 30.576 1.00 0.00 H new ATOM 0 HA ALA A 111 31.374 70.245 29.846 1.00 0.00 H new ATOM 0 HB1 ALA A 111 29.212 70.920 30.855 1.00 0.00 H new ATOM 0 HB2 ALA A 111 30.516 70.906 32.066 1.00 0.00 H new ATOM 0 HB3 ALA A 111 29.945 72.451 31.393 1.00 0.00 H new ATOM 1691 N PRO A 112 31.212 71.642 27.657 1.00 0.00 N ATOM 1692 CA PRO A 112 30.781 72.221 26.363 1.00 0.00 C ATOM 1693 C PRO A 112 29.548 71.525 25.806 1.00 0.00 C ATOM 1694 O PRO A 112 29.433 70.301 25.873 1.00 0.00 O ATOM 1695 CB PRO A 112 31.997 72.006 25.457 1.00 0.00 C ATOM 1696 CG PRO A 112 32.675 70.782 25.992 1.00 0.00 C ATOM 1697 CD PRO A 112 32.327 70.697 27.488 1.00 0.00 C ATOM 0 HA PRO A 112 30.490 73.268 26.452 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.695 71.867 24.419 1.00 0.00 H new ATOM 0 HB3 PRO A 112 32.664 72.868 25.482 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.335 69.891 25.465 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.754 70.844 25.849 1.00 0.00 H new ATOM 0 HD2 PRO A 112 32.037 69.685 27.772 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.179 70.971 28.111 1.00 0.00 H new ATOM 1705 N THR A 113 28.625 72.313 25.263 1.00 0.00 N ATOM 1706 CA THR A 113 27.391 71.775 24.693 1.00 0.00 C ATOM 1707 C THR A 113 27.321 72.103 23.213 1.00 0.00 C ATOM 1708 O THR A 113 28.178 72.810 22.679 1.00 0.00 O ATOM 1709 CB THR A 113 26.176 72.361 25.417 1.00 0.00 C ATOM 1710 OG1 THR A 113 26.070 73.744 25.110 1.00 0.00 O ATOM 1711 CG2 THR A 113 26.339 72.181 26.926 1.00 0.00 C ATOM 0 H THR A 113 28.707 73.328 25.205 1.00 0.00 H new ATOM 0 HA THR A 113 27.386 70.692 24.819 1.00 0.00 H new ATOM 0 HB THR A 113 25.273 71.844 25.091 1.00 0.00 H new ATOM 0 HG1 THR A 113 26.954 74.096 24.876 1.00 0.00 H new ATOM 0 HG21 THR A 113 25.472 72.599 27.438 1.00 0.00 H new ATOM 0 HG22 THR A 113 26.421 71.119 27.159 1.00 0.00 H new ATOM 0 HG23 THR A 113 27.240 72.696 27.259 1.00 0.00 H new ATOM 1719 N PHE A 114 26.298 71.578 22.540 1.00 0.00 N ATOM 1720 CA PHE A 114 26.136 71.822 21.103 1.00 0.00 C ATOM 1721 C PHE A 114 24.687 72.187 20.775 1.00 0.00 C ATOM 1722 O PHE A 114 23.757 71.711 21.422 1.00 0.00 O ATOM 1723 CB PHE A 114 26.548 70.561 20.328 1.00 0.00 C ATOM 1724 CG PHE A 114 27.623 69.824 21.099 1.00 0.00 C ATOM 1725 CD1 PHE A 114 28.930 70.320 21.132 1.00 0.00 C ATOM 1726 CD2 PHE A 114 27.306 68.645 21.781 1.00 0.00 C ATOM 1727 CE1 PHE A 114 29.922 69.637 21.844 1.00 0.00 C ATOM 1728 CE2 PHE A 114 28.294 67.962 22.491 1.00 0.00 C ATOM 1729 CZ PHE A 114 29.605 68.454 22.523 1.00 0.00 C ATOM 0 H PHE A 114 25.577 70.989 22.957 1.00 0.00 H new ATOM 0 HA PHE A 114 26.771 72.658 20.811 1.00 0.00 H new ATOM 0 HB2 PHE A 114 25.684 69.914 20.179 1.00 0.00 H new ATOM 0 HB3 PHE A 114 26.916 70.833 19.339 1.00 0.00 H new ATOM 0 HD1 PHE A 114 29.174 71.232 20.607 1.00 0.00 H new ATOM 0 HD2 PHE A 114 26.296 68.263 21.758 1.00 0.00 H new ATOM 0 HE1 PHE A 114 30.931 70.022 21.870 1.00 0.00 H new ATOM 0 HE2 PHE A 114 28.047 67.052 23.017 1.00 0.00 H new ATOM 0 HZ PHE A 114 30.370 67.922 23.070 1.00 0.00 H new ATOM 1739 N THR A 115 24.503 73.022 19.753 1.00 0.00 N ATOM 1740 CA THR A 115 23.159 73.435 19.339 1.00 0.00 C ATOM 1741 C THR A 115 22.978 73.248 17.840 1.00 0.00 C ATOM 1742 O THR A 115 23.806 73.694 17.044 1.00 0.00 O ATOM 1743 CB THR A 115 22.930 74.900 19.711 1.00 0.00 C ATOM 1744 OG1 THR A 115 23.049 75.051 21.119 1.00 0.00 O ATOM 1745 CG2 THR A 115 21.533 75.330 19.263 1.00 0.00 C ATOM 0 H THR A 115 25.259 73.424 19.199 1.00 0.00 H new ATOM 0 HA THR A 115 22.429 72.812 19.856 1.00 0.00 H new ATOM 0 HB THR A 115 23.673 75.524 19.214 1.00 0.00 H new ATOM 0 HG1 THR A 115 22.904 75.990 21.361 1.00 0.00 H new ATOM 0 HG21 THR A 115 21.371 76.375 19.529 1.00 0.00 H new ATOM 0 HG22 THR A 115 21.445 75.213 18.183 1.00 0.00 H new ATOM 0 HG23 THR A 115 20.785 74.710 19.757 1.00 0.00 H new ATOM 1753 N SER A 116 21.885 72.592 17.453 1.00 0.00 N ATOM 1754 CA SER A 116 21.605 72.353 16.038 1.00 0.00 C ATOM 1755 C SER A 116 20.394 73.155 15.582 1.00 0.00 C ATOM 1756 O SER A 116 19.389 73.248 16.289 1.00 0.00 O ATOM 1757 CB SER A 116 21.340 70.865 15.804 1.00 0.00 C ATOM 1758 OG SER A 116 19.987 70.571 16.131 1.00 0.00 O ATOM 0 H SER A 116 21.184 72.219 18.093 1.00 0.00 H new ATOM 0 HA SER A 116 22.474 72.669 15.462 1.00 0.00 H new ATOM 0 HB2 SER A 116 21.539 70.608 14.764 1.00 0.00 H new ATOM 0 HB3 SER A 116 22.013 70.264 16.415 1.00 0.00 H new ATOM 0 HG SER A 116 19.426 70.686 15.336 1.00 0.00 H new ATOM 1764 N THR A 117 20.491 73.740 14.387 1.00 0.00 N ATOM 1765 CA THR A 117 19.399 74.540 13.834 1.00 0.00 C ATOM 1766 C THR A 117 19.034 74.054 12.439 1.00 0.00 C ATOM 1767 O THR A 117 19.904 73.678 11.651 1.00 0.00 O ATOM 1768 CB THR A 117 19.799 76.015 13.774 1.00 0.00 C ATOM 1769 OG1 THR A 117 19.965 76.513 15.094 1.00 0.00 O ATOM 1770 CG2 THR A 117 18.711 76.815 13.057 1.00 0.00 C ATOM 0 H THR A 117 21.312 73.675 13.786 1.00 0.00 H new ATOM 0 HA THR A 117 18.532 74.430 14.486 1.00 0.00 H new ATOM 0 HB THR A 117 20.737 76.114 13.227 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.223 77.458 15.057 1.00 0.00 H new ATOM 0 HG21 THR A 117 18.999 77.865 13.016 1.00 0.00 H new ATOM 0 HG22 THR A 117 18.587 76.433 12.044 1.00 0.00 H new ATOM 0 HG23 THR A 117 17.771 76.718 13.599 1.00 0.00 H new ATOM 1778 N VAL A 118 17.735 74.061 12.136 1.00 0.00 N ATOM 1779 CA VAL A 118 17.253 73.613 10.827 1.00 0.00 C ATOM 1780 C VAL A 118 16.582 74.759 10.090 1.00 0.00 C ATOM 1781 O VAL A 118 15.988 75.643 10.704 1.00 0.00 O ATOM 1782 CB VAL A 118 16.262 72.460 11.002 1.00 0.00 C ATOM 1783 CG1 VAL A 118 14.997 72.972 11.691 1.00 0.00 C ATOM 1784 CG2 VAL A 118 15.903 71.888 9.631 1.00 0.00 C ATOM 0 H VAL A 118 17.001 74.370 12.774 1.00 0.00 H new ATOM 0 HA VAL A 118 18.105 73.269 10.241 1.00 0.00 H new ATOM 0 HB VAL A 118 16.715 71.680 11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.292 72.150 11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.255 73.380 12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.541 73.752 11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.197 71.066 9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.450 72.668 9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 118 16.806 71.521 9.142 1.00 0.00 H new ATOM 1794 N GLU A 119 16.671 74.738 8.760 1.00 0.00 N ATOM 1795 CA GLU A 119 16.063 75.782 7.939 1.00 0.00 C ATOM 1796 C GLU A 119 15.298 75.191 6.763 1.00 0.00 C ATOM 1797 O GLU A 119 15.899 74.767 5.773 1.00 0.00 O ATOM 1798 CB GLU A 119 17.154 76.722 7.405 1.00 0.00 C ATOM 1799 CG GLU A 119 16.547 78.092 7.085 1.00 0.00 C ATOM 1800 CD GLU A 119 15.541 77.961 5.944 1.00 0.00 C ATOM 1801 OE1 GLU A 119 15.756 77.123 5.084 1.00 0.00 O ATOM 1802 OE2 GLU A 119 14.570 78.698 5.953 1.00 0.00 O1- ATOM 0 H GLU A 119 17.156 74.013 8.231 1.00 0.00 H new ATOM 0 HA GLU A 119 15.362 76.333 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.948 76.829 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.607 76.297 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.056 78.497 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.335 78.793 6.808 1.00 0.00 H new ATOM 1809 N PHE A 120 13.973 75.155 6.881 1.00 0.00 N ATOM 1810 CA PHE A 120 13.138 74.612 5.810 1.00 0.00 C ATOM 1811 C PHE A 120 11.936 75.512 5.582 1.00 0.00 C ATOM 1812 O PHE A 120 11.548 76.282 6.458 1.00 0.00 O ATOM 1813 CB PHE A 120 12.677 73.198 6.159 1.00 0.00 C ATOM 1814 CG PHE A 120 11.704 73.252 7.310 1.00 0.00 C ATOM 1815 CD1 PHE A 120 12.171 73.224 8.628 1.00 0.00 C ATOM 1816 CD2 PHE A 120 10.329 73.331 7.056 1.00 0.00 C ATOM 1817 CE1 PHE A 120 11.266 73.278 9.693 1.00 0.00 C ATOM 1818 CE2 PHE A 120 9.423 73.385 8.121 1.00 0.00 C ATOM 1819 CZ PHE A 120 9.891 73.357 9.439 1.00 0.00 C ATOM 0 H PHE A 120 13.459 75.490 7.696 1.00 0.00 H new ATOM 0 HA PHE A 120 13.728 74.569 4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 120 12.205 72.734 5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.535 72.580 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 120 13.231 73.161 8.824 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.968 73.350 6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.627 73.259 10.711 1.00 0.00 H new ATOM 0 HE2 PHE A 120 8.363 73.448 7.926 1.00 0.00 H new ATOM 0 HZ PHE A 120 9.192 73.396 10.261 1.00 0.00 H new ATOM 1829 N ALA A 121 11.317 75.390 4.412 1.00 0.00 N ATOM 1830 CA ALA A 121 10.141 76.192 4.093 1.00 0.00 C ATOM 1831 C ALA A 121 10.439 77.675 4.277 1.00 0.00 C ATOM 1832 O ALA A 121 9.527 78.493 4.392 1.00 0.00 O ATOM 1833 CB ALA A 121 8.963 75.787 4.986 1.00 0.00 C ATOM 0 H ALA A 121 11.607 74.749 3.674 1.00 0.00 H new ATOM 0 HA ALA A 121 9.877 76.012 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 121 8.092 76.394 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.730 74.734 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 121 9.228 75.945 6.031 1.00 0.00 H new ATOM 1839 N GLY A 122 11.723 78.010 4.313 1.00 0.00 N ATOM 1840 CA GLY A 122 12.134 79.398 4.487 1.00 0.00 C ATOM 1841 C GLY A 122 12.035 79.817 5.948 1.00 0.00 C ATOM 1842 O GLY A 122 12.201 80.991 6.280 1.00 0.00 O ATOM 0 H GLY A 122 12.492 77.346 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 122 13.159 79.524 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 122 11.506 80.046 3.876 1.00 0.00 H new ATOM 1846 N LYS A 123 11.774 78.850 6.821 1.00 0.00 N ATOM 1847 CA LYS A 123 11.655 79.119 8.254 1.00 0.00 C ATOM 1848 C LYS A 123 12.741 78.379 9.018 1.00 0.00 C ATOM 1849 O LYS A 123 13.121 77.265 8.657 1.00 0.00 O ATOM 1850 CB LYS A 123 10.282 78.679 8.754 1.00 0.00 C ATOM 1851 CG LYS A 123 9.206 79.594 8.168 1.00 0.00 C ATOM 1852 CD LYS A 123 7.828 79.137 8.650 1.00 0.00 C ATOM 1853 CE LYS A 123 6.759 80.105 8.138 1.00 0.00 C ATOM 1854 NZ LYS A 123 6.715 80.054 6.649 1.00 0.00 N1+ ATOM 0 H LYS A 123 11.640 77.872 6.564 1.00 0.00 H new ATOM 0 HA LYS A 123 11.771 80.190 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 123 10.092 77.645 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.251 78.716 9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.386 80.625 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 123 9.248 79.571 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.622 78.129 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.807 79.098 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.786 79.840 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.981 81.119 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.832 80.489 6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.527 80.574 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.755 79.064 6.334 1.00 0.00 H new ATOM 1868 N VAL A 124 13.251 79.006 10.076 1.00 0.00 N ATOM 1869 CA VAL A 124 14.307 78.395 10.878 1.00 0.00 C ATOM 1870 C VAL A 124 13.809 78.030 12.269 1.00 0.00 C ATOM 1871 O VAL A 124 13.374 78.888 13.034 1.00 0.00 O ATOM 1872 CB VAL A 124 15.486 79.368 11.005 1.00 0.00 C ATOM 1873 CG1 VAL A 124 15.016 80.665 11.673 1.00 0.00 C ATOM 1874 CG2 VAL A 124 16.590 78.728 11.855 1.00 0.00 C ATOM 0 H VAL A 124 12.953 79.928 10.395 1.00 0.00 H new ATOM 0 HA VAL A 124 14.624 77.481 10.375 1.00 0.00 H new ATOM 0 HB VAL A 124 15.875 79.593 10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 124 15.856 81.354 11.762 1.00 0.00 H new ATOM 0 HG12 VAL A 124 14.233 81.123 11.068 1.00 0.00 H new ATOM 0 HG13 VAL A 124 14.624 80.442 12.665 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.427 79.420 11.945 1.00 0.00 H new ATOM 0 HG22 VAL A 124 16.200 78.500 12.847 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.929 77.808 11.378 1.00 0.00 H new ATOM 1884 N PHE A 125 13.866 76.739 12.594 1.00 0.00 N ATOM 1885 CA PHE A 125 13.423 76.262 13.903 1.00 0.00 C ATOM 1886 C PHE A 125 14.635 76.004 14.786 1.00 0.00 C ATOM 1887 O PHE A 125 15.720 75.672 14.294 1.00 0.00 O ATOM 1888 CB PHE A 125 12.601 74.985 13.757 1.00 0.00 C ATOM 1889 CG PHE A 125 11.272 75.316 13.119 1.00 0.00 C ATOM 1890 CD1 PHE A 125 11.206 75.590 11.747 1.00 0.00 C ATOM 1891 CD2 PHE A 125 10.104 75.343 13.894 1.00 0.00 C ATOM 1892 CE1 PHE A 125 9.975 75.892 11.152 1.00 0.00 C ATOM 1893 CE2 PHE A 125 8.879 75.646 13.297 1.00 0.00 C ATOM 1894 CZ PHE A 125 8.812 75.923 11.928 1.00 0.00 C ATOM 0 H PHE A 125 14.213 76.008 11.972 1.00 0.00 H new ATOM 0 HA PHE A 125 12.795 77.024 14.363 1.00 0.00 H new ATOM 0 HB2 PHE A 125 13.140 74.260 13.147 1.00 0.00 H new ATOM 0 HB3 PHE A 125 12.444 74.526 14.733 1.00 0.00 H new ATOM 0 HD1 PHE A 125 12.104 75.568 11.148 1.00 0.00 H new ATOM 0 HD2 PHE A 125 10.152 75.130 14.952 1.00 0.00 H new ATOM 0 HE1 PHE A 125 9.924 76.101 10.094 1.00 0.00 H new ATOM 0 HE2 PHE A 125 7.980 75.667 13.895 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.863 76.161 11.470 1.00 0.00 H new ATOM 1904 N SER A 126 14.447 76.149 16.093 1.00 0.00 N ATOM 1905 CA SER A 126 15.529 75.934 17.050 1.00 0.00 C ATOM 1906 C SER A 126 15.222 74.744 17.948 1.00 0.00 C ATOM 1907 O SER A 126 14.190 74.708 18.617 1.00 0.00 O ATOM 1908 CB SER A 126 15.712 77.186 17.908 1.00 0.00 C ATOM 1909 OG SER A 126 16.049 78.285 17.069 1.00 0.00 O ATOM 0 H SER A 126 13.557 76.414 16.515 1.00 0.00 H new ATOM 0 HA SER A 126 16.446 75.729 16.497 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.796 77.401 18.458 1.00 0.00 H new ATOM 0 HB3 SER A 126 16.497 77.023 18.647 1.00 0.00 H new ATOM 0 HG SER A 126 16.165 79.090 17.615 1.00 0.00 H new ATOM 1915 N GLY A 127 16.127 73.772 17.962 1.00 0.00 N ATOM 1916 CA GLY A 127 15.943 72.587 18.791 1.00 0.00 C ATOM 1917 C GLY A 127 16.451 72.842 20.206 1.00 0.00 C ATOM 1918 O GLY A 127 16.896 73.945 20.526 1.00 0.00 O ATOM 0 H GLY A 127 16.987 73.780 17.414 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.887 72.317 18.820 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.476 71.743 18.353 1.00 0.00 H new ATOM 1922 N GLU A 128 16.381 71.819 21.046 1.00 0.00 N ATOM 1923 CA GLU A 128 16.836 71.944 22.424 1.00 0.00 C ATOM 1924 C GLU A 128 18.358 71.886 22.495 1.00 0.00 C ATOM 1925 O GLU A 128 19.022 71.556 21.514 1.00 0.00 O ATOM 1926 CB GLU A 128 16.225 70.821 23.276 1.00 0.00 C ATOM 1927 CG GLU A 128 17.146 69.593 23.259 1.00 0.00 C ATOM 1928 CD GLU A 128 16.391 68.363 23.728 1.00 0.00 C ATOM 1929 OE1 GLU A 128 15.281 68.523 24.204 1.00 0.00 O ATOM 1930 OE2 GLU A 128 16.931 67.279 23.593 1.00 0.00 O1- ATOM 0 H GLU A 128 16.016 70.899 20.800 1.00 0.00 H new ATOM 0 HA GLU A 128 16.511 72.909 22.813 1.00 0.00 H new ATOM 0 HB2 GLU A 128 16.083 71.166 24.300 1.00 0.00 H new ATOM 0 HB3 GLU A 128 15.241 70.554 22.890 1.00 0.00 H new ATOM 0 HG2 GLU A 128 17.529 69.431 22.251 1.00 0.00 H new ATOM 0 HG3 GLU A 128 18.008 69.767 23.903 1.00 0.00 H new ATOM 1937 N GLU A 129 18.904 72.154 23.680 1.00 0.00 N ATOM 1938 CA GLU A 129 20.350 72.093 23.882 1.00 0.00 C ATOM 1939 C GLU A 129 20.729 70.863 24.709 1.00 0.00 C ATOM 1940 O GLU A 129 20.027 70.495 25.651 1.00 0.00 O ATOM 1941 CB GLU A 129 20.825 73.359 24.596 1.00 0.00 C ATOM 1942 CG GLU A 129 20.684 74.556 23.654 1.00 0.00 C ATOM 1943 CD GLU A 129 21.063 75.839 24.384 1.00 0.00 C ATOM 1944 OE1 GLU A 129 21.412 75.753 25.551 1.00 0.00 O ATOM 1945 OE2 GLU A 129 21.000 76.889 23.767 1.00 0.00 O1- ATOM 0 H GLU A 129 18.371 72.414 24.510 1.00 0.00 H new ATOM 0 HA GLU A 129 20.833 72.019 22.908 1.00 0.00 H new ATOM 0 HB2 GLU A 129 20.238 73.522 25.500 1.00 0.00 H new ATOM 0 HB3 GLU A 129 21.864 73.247 24.907 1.00 0.00 H new ATOM 0 HG2 GLU A 129 21.324 74.421 22.782 1.00 0.00 H new ATOM 0 HG3 GLU A 129 19.659 74.624 23.289 1.00 0.00 H new ATOM 1952 N ALA A 130 21.846 70.230 24.349 1.00 0.00 N ATOM 1953 CA ALA A 130 22.305 69.047 25.067 1.00 0.00 C ATOM 1954 C ALA A 130 23.784 68.776 24.793 1.00 0.00 C ATOM 1955 O ALA A 130 24.328 69.206 23.777 1.00 0.00 O ATOM 1956 CB ALA A 130 21.476 67.831 24.649 1.00 0.00 C ATOM 0 H ALA A 130 22.442 70.515 23.572 1.00 0.00 H new ATOM 0 HA ALA A 130 22.180 69.229 26.134 1.00 0.00 H new ATOM 0 HB1 ALA A 130 21.824 66.950 25.189 1.00 0.00 H new ATOM 0 HB2 ALA A 130 20.426 68.009 24.883 1.00 0.00 H new ATOM 0 HB3 ALA A 130 21.586 67.666 23.577 1.00 0.00 H new ATOM 1962 N LYS A 131 24.420 68.060 25.712 1.00 0.00 N ATOM 1963 CA LYS A 131 25.833 67.723 25.577 1.00 0.00 C ATOM 1964 C LYS A 131 26.017 66.632 24.529 1.00 0.00 C ATOM 1965 O LYS A 131 26.882 65.764 24.663 1.00 0.00 O ATOM 1966 CB LYS A 131 26.396 67.246 26.919 1.00 0.00 C ATOM 1967 CG LYS A 131 27.921 67.393 26.917 1.00 0.00 C ATOM 1968 CD LYS A 131 28.471 67.030 28.292 1.00 0.00 C ATOM 1969 CE LYS A 131 29.991 67.193 28.293 1.00 0.00 C ATOM 1970 NZ LYS A 131 30.526 66.857 29.643 1.00 0.00 N1+ ATOM 0 H LYS A 131 23.980 67.701 26.559 1.00 0.00 H new ATOM 0 HA LYS A 131 26.372 68.617 25.262 1.00 0.00 H new ATOM 0 HB2 LYS A 131 25.965 67.829 27.733 1.00 0.00 H new ATOM 0 HB3 LYS A 131 26.121 66.205 27.091 1.00 0.00 H new ATOM 0 HG2 LYS A 131 28.358 66.746 26.157 1.00 0.00 H new ATOM 0 HG3 LYS A 131 28.198 68.416 26.662 1.00 0.00 H new ATOM 0 HD2 LYS A 131 28.026 67.670 29.054 1.00 0.00 H new ATOM 0 HD3 LYS A 131 28.205 66.003 28.542 1.00 0.00 H new ATOM 0 HE2 LYS A 131 30.438 66.543 27.541 1.00 0.00 H new ATOM 0 HE3 LYS A 131 30.258 68.216 28.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 31.560 66.968 29.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 30.109 67.495 30.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 30.283 65.873 29.878 1.00 0.00 H new ATOM 1984 N THR A 132 25.203 66.676 23.484 1.00 0.00 N ATOM 1985 CA THR A 132 25.285 65.682 22.414 1.00 0.00 C ATOM 1986 C THR A 132 24.764 66.263 21.103 1.00 0.00 C ATOM 1987 O THR A 132 23.864 67.101 21.100 1.00 0.00 O ATOM 1988 CB THR A 132 24.463 64.450 22.797 1.00 0.00 C ATOM 1989 OG1 THR A 132 23.192 64.860 23.271 1.00 0.00 O ATOM 1990 CG2 THR A 132 25.186 63.667 23.892 1.00 0.00 C ATOM 0 H THR A 132 24.481 67.384 23.351 1.00 0.00 H new ATOM 0 HA THR A 132 26.328 65.397 22.277 1.00 0.00 H new ATOM 0 HB THR A 132 24.339 63.813 21.921 1.00 0.00 H new ATOM 0 HG1 THR A 132 23.274 65.180 24.194 1.00 0.00 H new ATOM 0 HG21 THR A 132 24.597 62.790 24.162 1.00 0.00 H new ATOM 0 HG22 THR A 132 26.163 63.350 23.528 1.00 0.00 H new ATOM 0 HG23 THR A 132 25.314 64.302 24.769 1.00 0.00 H new ATOM 1998 N LYS A 133 25.330 65.810 19.991 1.00 0.00 N ATOM 1999 CA LYS A 133 24.906 66.295 18.685 1.00 0.00 C ATOM 2000 C LYS A 133 23.628 65.599 18.227 1.00 0.00 C ATOM 2001 O LYS A 133 22.814 66.191 17.519 1.00 0.00 O ATOM 2002 CB LYS A 133 26.025 66.065 17.650 1.00 0.00 C ATOM 2003 CG LYS A 133 26.801 67.367 17.425 1.00 0.00 C ATOM 2004 CD LYS A 133 27.657 67.672 18.662 1.00 0.00 C ATOM 2005 CE LYS A 133 29.010 66.974 18.533 1.00 0.00 C ATOM 2006 NZ LYS A 133 29.866 67.326 19.696 1.00 0.00 N1+ ATOM 0 H LYS A 133 26.076 65.115 19.967 1.00 0.00 H new ATOM 0 HA LYS A 133 24.702 67.362 18.770 1.00 0.00 H new ATOM 0 HB2 LYS A 133 26.701 65.284 17.999 1.00 0.00 H new ATOM 0 HB3 LYS A 133 25.597 65.719 16.709 1.00 0.00 H new ATOM 0 HG2 LYS A 133 27.436 67.277 16.543 1.00 0.00 H new ATOM 0 HG3 LYS A 133 26.109 68.188 17.237 1.00 0.00 H new ATOM 0 HD2 LYS A 133 27.799 68.748 18.762 1.00 0.00 H new ATOM 0 HD3 LYS A 133 27.146 67.333 19.563 1.00 0.00 H new ATOM 0 HE2 LYS A 133 28.870 65.894 18.485 1.00 0.00 H new ATOM 0 HE3 LYS A 133 29.498 67.274 17.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 30.689 67.872 19.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 29.318 67.897 20.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 30.192 66.456 20.163 1.00 0.00 H new ATOM 2020 N LYS A 134 23.474 64.336 18.602 1.00 0.00 N ATOM 2021 CA LYS A 134 22.304 63.574 18.192 1.00 0.00 C ATOM 2022 C LYS A 134 21.034 64.184 18.764 1.00 0.00 C ATOM 2023 O LYS A 134 20.044 64.364 18.055 1.00 0.00 O ATOM 2024 CB LYS A 134 22.429 62.126 18.674 1.00 0.00 C ATOM 2025 CG LYS A 134 23.568 61.431 17.925 1.00 0.00 C ATOM 2026 CD LYS A 134 23.702 59.986 18.417 1.00 0.00 C ATOM 2027 CE LYS A 134 24.825 59.287 17.647 1.00 0.00 C ATOM 2028 NZ LYS A 134 24.946 57.878 18.119 1.00 0.00 N1+ ATOM 0 H LYS A 134 24.137 63.823 19.183 1.00 0.00 H new ATOM 0 HA LYS A 134 22.248 63.597 17.104 1.00 0.00 H new ATOM 0 HB2 LYS A 134 22.620 62.105 19.747 1.00 0.00 H new ATOM 0 HB3 LYS A 134 21.492 61.594 18.506 1.00 0.00 H new ATOM 0 HG2 LYS A 134 23.372 61.444 16.853 1.00 0.00 H new ATOM 0 HG3 LYS A 134 24.503 61.968 18.085 1.00 0.00 H new ATOM 0 HD2 LYS A 134 23.916 59.973 19.486 1.00 0.00 H new ATOM 0 HD3 LYS A 134 22.762 59.453 18.274 1.00 0.00 H new ATOM 0 HE2 LYS A 134 24.615 59.307 16.578 1.00 0.00 H new ATOM 0 HE3 LYS A 134 25.767 59.815 17.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 25.709 57.401 17.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 25.165 57.870 19.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 24.049 57.378 17.954 1.00 0.00 H new ATOM 2042 N LEU A 135 21.067 64.505 20.050 1.00 0.00 N ATOM 2043 CA LEU A 135 19.907 65.091 20.711 1.00 0.00 C ATOM 2044 C LEU A 135 19.568 66.448 20.103 1.00 0.00 C ATOM 2045 O LEU A 135 18.397 66.773 19.911 1.00 0.00 O ATOM 2046 CB LEU A 135 20.193 65.260 22.211 1.00 0.00 C ATOM 2047 CG LEU A 135 19.966 63.929 22.938 1.00 0.00 C ATOM 2048 CD1 LEU A 135 20.874 62.853 22.336 1.00 0.00 C ATOM 2049 CD2 LEU A 135 20.291 64.099 24.424 1.00 0.00 C ATOM 0 H LEU A 135 21.878 64.371 20.654 1.00 0.00 H new ATOM 0 HA LEU A 135 19.058 64.422 20.572 1.00 0.00 H new ATOM 0 HB2 LEU A 135 21.220 65.595 22.359 1.00 0.00 H new ATOM 0 HB3 LEU A 135 19.543 66.029 22.630 1.00 0.00 H new ATOM 0 HG LEU A 135 18.925 63.627 22.825 1.00 0.00 H new ATOM 0 HD11 LEU A 135 20.711 61.908 22.854 1.00 0.00 H new ATOM 0 HD12 LEU A 135 20.642 62.731 21.278 1.00 0.00 H new ATOM 0 HD13 LEU A 135 21.916 63.153 22.447 1.00 0.00 H new ATOM 0 HD21 LEU A 135 20.130 63.154 24.942 1.00 0.00 H new ATOM 0 HD22 LEU A 135 21.332 64.402 24.536 1.00 0.00 H new ATOM 0 HD23 LEU A 135 19.643 64.863 24.853 1.00 0.00 H new ATOM 2061 N ALA A 136 20.596 67.237 19.822 1.00 0.00 N ATOM 2062 CA ALA A 136 20.387 68.562 19.255 1.00 0.00 C ATOM 2063 C ALA A 136 19.578 68.480 17.965 1.00 0.00 C ATOM 2064 O ALA A 136 18.551 69.147 17.824 1.00 0.00 O ATOM 2065 CB ALA A 136 21.739 69.221 18.966 1.00 0.00 C ATOM 0 H ALA A 136 21.573 66.987 19.975 1.00 0.00 H new ATOM 0 HA ALA A 136 19.832 69.160 19.978 1.00 0.00 H new ATOM 0 HB1 ALA A 136 21.577 70.212 18.542 1.00 0.00 H new ATOM 0 HB2 ALA A 136 22.305 69.311 19.893 1.00 0.00 H new ATOM 0 HB3 ALA A 136 22.298 68.610 18.257 1.00 0.00 H new ATOM 2071 N GLU A 137 20.044 67.663 17.028 1.00 0.00 N ATOM 2072 CA GLU A 137 19.358 67.513 15.751 1.00 0.00 C ATOM 2073 C GLU A 137 17.980 66.891 15.945 1.00 0.00 C ATOM 2074 O GLU A 137 17.007 67.307 15.317 1.00 0.00 O ATOM 2075 CB GLU A 137 20.189 66.629 14.814 1.00 0.00 C ATOM 2076 CG GLU A 137 21.477 67.360 14.422 1.00 0.00 C ATOM 2077 CD GLU A 137 22.349 66.458 13.555 1.00 0.00 C ATOM 2078 OE1 GLU A 137 21.916 65.358 13.258 1.00 0.00 O ATOM 2079 OE2 GLU A 137 23.438 66.881 13.201 1.00 0.00 O1- ATOM 0 H GLU A 137 20.888 67.098 17.127 1.00 0.00 H new ATOM 0 HA GLU A 137 19.236 68.503 15.311 1.00 0.00 H new ATOM 0 HB2 GLU A 137 20.430 65.687 15.306 1.00 0.00 H new ATOM 0 HB3 GLU A 137 19.612 66.385 13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 137 21.235 68.274 13.880 1.00 0.00 H new ATOM 0 HG3 GLU A 137 22.024 67.655 15.318 1.00 0.00 H new ATOM 2086 N MET A 138 17.907 65.890 16.816 1.00 0.00 N ATOM 2087 CA MET A 138 16.642 65.213 17.076 1.00 0.00 C ATOM 2088 C MET A 138 15.621 66.188 17.646 1.00 0.00 C ATOM 2089 O MET A 138 14.454 66.182 17.252 1.00 0.00 O ATOM 2090 CB MET A 138 16.860 64.066 18.071 1.00 0.00 C ATOM 2091 CG MET A 138 17.518 62.882 17.357 1.00 0.00 C ATOM 2092 SD MET A 138 17.930 61.602 18.570 1.00 0.00 S ATOM 2093 CE MET A 138 16.237 61.129 18.995 1.00 0.00 C ATOM 0 H MET A 138 18.700 65.533 17.349 1.00 0.00 H new ATOM 0 HA MET A 138 16.264 64.815 16.134 1.00 0.00 H new ATOM 0 HB2 MET A 138 17.489 64.401 18.895 1.00 0.00 H new ATOM 0 HB3 MET A 138 15.907 63.759 18.502 1.00 0.00 H new ATOM 0 HG2 MET A 138 16.844 62.479 16.601 1.00 0.00 H new ATOM 0 HG3 MET A 138 18.419 63.211 16.838 1.00 0.00 H new ATOM 0 HE1 MET A 138 16.167 60.043 19.055 1.00 0.00 H new ATOM 0 HE2 MET A 138 15.968 61.564 19.958 1.00 0.00 H new ATOM 0 HE3 MET A 138 15.554 61.495 18.228 1.00 0.00 H new ATOM 2103 N SER A 139 16.065 67.029 18.572 1.00 0.00 N ATOM 2104 CA SER A 139 15.179 68.008 19.188 1.00 0.00 C ATOM 2105 C SER A 139 14.720 69.041 18.163 1.00 0.00 C ATOM 2106 O SER A 139 13.582 69.501 18.205 1.00 0.00 O ATOM 2107 CB SER A 139 15.903 68.714 20.339 1.00 0.00 C ATOM 2108 OG SER A 139 16.451 67.730 21.209 1.00 0.00 O ATOM 0 H SER A 139 17.027 67.053 18.911 1.00 0.00 H new ATOM 0 HA SER A 139 14.304 67.485 19.573 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.693 69.356 19.950 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.210 69.355 20.884 1.00 0.00 H new ATOM 0 HG SER A 139 17.362 67.510 20.921 1.00 0.00 H new ATOM 2114 N ALA A 140 15.618 69.401 17.252 1.00 0.00 N ATOM 2115 CA ALA A 140 15.300 70.387 16.222 1.00 0.00 C ATOM 2116 C ALA A 140 14.222 69.851 15.283 1.00 0.00 C ATOM 2117 O ALA A 140 13.278 70.557 14.934 1.00 0.00 O ATOM 2118 CB ALA A 140 16.557 70.733 15.424 1.00 0.00 C ATOM 0 H ALA A 140 16.566 69.028 17.204 1.00 0.00 H new ATOM 0 HA ALA A 140 14.924 71.287 16.708 1.00 0.00 H new ATOM 0 HB1 ALA A 140 16.311 71.469 14.658 1.00 0.00 H new ATOM 0 HB2 ALA A 140 17.311 71.145 16.094 1.00 0.00 H new ATOM 0 HB3 ALA A 140 16.946 69.832 14.950 1.00 0.00 H new ATOM 2124 N ALA A 141 14.374 68.597 14.873 1.00 0.00 N ATOM 2125 CA ALA A 141 13.409 67.970 13.977 1.00 0.00 C ATOM 2126 C ALA A 141 12.093 67.707 14.700 1.00 0.00 C ATOM 2127 O ALA A 141 11.033 67.619 14.075 1.00 0.00 O ATOM 2128 CB ALA A 141 13.967 66.646 13.451 1.00 0.00 C ATOM 0 H ALA A 141 15.152 67.997 15.145 1.00 0.00 H new ATOM 0 HA ALA A 141 13.227 68.650 13.144 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.240 66.185 12.783 1.00 0.00 H new ATOM 0 HB2 ALA A 141 14.893 66.832 12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.166 65.977 14.288 1.00 0.00 H new ATOM 2134 N LYS A 142 12.161 67.589 16.024 1.00 0.00 N ATOM 2135 CA LYS A 142 10.964 67.344 16.823 1.00 0.00 C ATOM 2136 C LYS A 142 10.077 68.585 16.888 1.00 0.00 C ATOM 2137 O LYS A 142 8.872 68.515 16.656 1.00 0.00 O ATOM 2138 CB LYS A 142 11.363 66.930 18.243 1.00 0.00 C ATOM 2139 CG LYS A 142 10.117 66.507 19.025 1.00 0.00 C ATOM 2140 CD LYS A 142 10.526 66.041 20.423 1.00 0.00 C ATOM 2141 CE LYS A 142 9.283 65.606 21.203 1.00 0.00 C ATOM 2142 NZ LYS A 142 9.686 65.124 22.554 1.00 0.00 N1+ ATOM 0 H LYS A 142 13.025 67.658 16.562 1.00 0.00 H new ATOM 0 HA LYS A 142 10.400 66.542 16.346 1.00 0.00 H new ATOM 0 HB2 LYS A 142 12.077 66.108 18.205 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.858 67.759 18.749 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.420 67.342 19.098 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.600 65.704 18.499 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.230 65.212 20.350 1.00 0.00 H new ATOM 0 HD3 LYS A 142 11.036 66.847 20.951 1.00 0.00 H new ATOM 0 HE2 LYS A 142 8.588 66.441 21.296 1.00 0.00 H new ATOM 0 HE3 LYS A 142 8.761 64.815 20.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 8.841 64.829 23.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.333 64.316 22.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.166 65.891 23.067 1.00 0.00 H new ATOM 2156 N VAL A 143 10.686 69.723 17.212 1.00 0.00 N ATOM 2157 CA VAL A 143 9.944 70.974 17.312 1.00 0.00 C ATOM 2158 C VAL A 143 9.436 71.406 15.943 1.00 0.00 C ATOM 2159 O VAL A 143 8.334 71.940 15.817 1.00 0.00 O ATOM 2160 CB VAL A 143 10.837 72.068 17.904 1.00 0.00 C ATOM 2161 CG1 VAL A 143 12.107 72.195 17.066 1.00 0.00 C ATOM 2162 CG2 VAL A 143 10.085 73.401 17.893 1.00 0.00 C ATOM 0 H VAL A 143 11.684 69.804 17.408 1.00 0.00 H new ATOM 0 HA VAL A 143 9.088 70.816 17.968 1.00 0.00 H new ATOM 0 HB VAL A 143 11.101 71.807 18.929 1.00 0.00 H new ATOM 0 HG11 VAL A 143 12.744 72.973 17.486 1.00 0.00 H new ATOM 0 HG12 VAL A 143 12.643 71.246 17.071 1.00 0.00 H new ATOM 0 HG13 VAL A 143 11.842 72.457 16.041 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.720 74.180 18.314 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.822 73.662 16.868 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.177 73.311 18.489 1.00 0.00 H new ATOM 2172 N ALA A 144 10.250 71.178 14.917 1.00 0.00 N ATOM 2173 CA ALA A 144 9.876 71.552 13.559 1.00 0.00 C ATOM 2174 C ALA A 144 8.677 70.739 13.079 1.00 0.00 C ATOM 2175 O ALA A 144 7.710 71.289 12.559 1.00 0.00 O ATOM 2176 CB ALA A 144 11.060 71.318 12.612 1.00 0.00 C ATOM 0 H ALA A 144 11.167 70.739 15.000 1.00 0.00 H new ATOM 0 HA ALA A 144 9.604 72.608 13.559 1.00 0.00 H new ATOM 0 HB1 ALA A 144 10.776 71.599 11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 144 11.907 71.924 12.932 1.00 0.00 H new ATOM 0 HB3 ALA A 144 11.339 70.265 12.632 1.00 0.00 H new ATOM 2182 N PHE A 145 8.752 69.425 13.258 1.00 0.00 N ATOM 2183 CA PHE A 145 7.674 68.539 12.834 1.00 0.00 C ATOM 2184 C PHE A 145 6.373 68.901 13.530 1.00 0.00 C ATOM 2185 O PHE A 145 5.308 68.922 12.909 1.00 0.00 O ATOM 2186 CB PHE A 145 8.032 67.086 13.156 1.00 0.00 C ATOM 2187 CG PHE A 145 7.006 66.165 12.537 1.00 0.00 C ATOM 2188 CD1 PHE A 145 5.766 65.981 13.159 1.00 0.00 C ATOM 2189 CD2 PHE A 145 7.297 65.497 11.343 1.00 0.00 C ATOM 2190 CE1 PHE A 145 4.815 65.131 12.583 1.00 0.00 C ATOM 2191 CE2 PHE A 145 6.347 64.645 10.767 1.00 0.00 C ATOM 2192 CZ PHE A 145 5.106 64.462 11.388 1.00 0.00 C ATOM 0 H PHE A 145 9.544 68.951 13.692 1.00 0.00 H new ATOM 0 HA PHE A 145 7.543 68.655 11.758 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.025 66.851 12.773 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.064 66.939 14.236 1.00 0.00 H new ATOM 0 HD1 PHE A 145 5.543 66.494 14.083 1.00 0.00 H new ATOM 0 HD2 PHE A 145 8.255 65.639 10.865 1.00 0.00 H new ATOM 0 HE1 PHE A 145 3.856 64.991 13.060 1.00 0.00 H new ATOM 0 HE2 PHE A 145 6.571 64.130 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 145 4.373 63.804 10.945 1.00 0.00 H new ATOM 2202 N MET A 146 6.458 69.177 14.826 1.00 0.00 N ATOM 2203 CA MET A 146 5.277 69.525 15.605 1.00 0.00 C ATOM 2204 C MET A 146 4.638 70.809 15.088 1.00 0.00 C ATOM 2205 O MET A 146 3.412 70.931 15.055 1.00 0.00 O ATOM 2206 CB MET A 146 5.661 69.704 17.076 1.00 0.00 C ATOM 2207 CG MET A 146 4.810 68.773 17.942 1.00 0.00 C ATOM 2208 SD MET A 146 5.803 67.346 18.446 1.00 0.00 S ATOM 2209 CE MET A 146 4.596 66.068 18.016 1.00 0.00 C ATOM 0 H MET A 146 7.329 69.167 15.357 1.00 0.00 H new ATOM 0 HA MET A 146 4.554 68.715 15.507 1.00 0.00 H new ATOM 0 HB2 MET A 146 6.719 69.483 17.216 1.00 0.00 H new ATOM 0 HB3 MET A 146 5.509 70.740 17.379 1.00 0.00 H new ATOM 0 HG2 MET A 146 4.447 69.306 18.821 1.00 0.00 H new ATOM 0 HG3 MET A 146 3.933 68.442 17.386 1.00 0.00 H new ATOM 0 HE1 MET A 146 5.008 65.086 18.249 1.00 0.00 H new ATOM 0 HE2 MET A 146 3.682 66.223 18.589 1.00 0.00 H new ATOM 0 HE3 MET A 146 4.371 66.124 16.951 1.00 0.00 H new ATOM 2219 N SER A 147 5.474 71.762 14.687 1.00 0.00 N ATOM 2220 CA SER A 147 4.976 73.026 14.167 1.00 0.00 C ATOM 2221 C SER A 147 4.296 72.838 12.813 1.00 0.00 C ATOM 2222 O SER A 147 3.271 73.456 12.531 1.00 0.00 O ATOM 2223 CB SER A 147 6.129 74.012 14.029 1.00 0.00 C ATOM 2224 OG SER A 147 6.575 74.402 15.321 1.00 0.00 O ATOM 0 H SER A 147 6.491 71.682 14.713 1.00 0.00 H new ATOM 0 HA SER A 147 4.237 73.416 14.867 1.00 0.00 H new ATOM 0 HB2 SER A 147 6.947 73.556 13.472 1.00 0.00 H new ATOM 0 HB3 SER A 147 5.808 74.887 13.464 1.00 0.00 H new ATOM 0 HG SER A 147 7.178 73.718 15.679 1.00 0.00 H new ATOM 2230 N ILE A 148 4.871 71.981 11.977 1.00 0.00 N ATOM 2231 CA ILE A 148 4.315 71.729 10.656 1.00 0.00 C ATOM 2232 C ILE A 148 2.884 71.217 10.758 1.00 0.00 C ATOM 2233 O ILE A 148 2.040 71.528 9.913 1.00 0.00 O ATOM 2234 CB ILE A 148 5.175 70.714 9.903 1.00 0.00 C ATOM 2235 CG1 ILE A 148 6.516 71.358 9.537 1.00 0.00 C ATOM 2236 CG2 ILE A 148 4.454 70.273 8.622 1.00 0.00 C ATOM 2237 CD1 ILE A 148 7.474 70.287 9.003 1.00 0.00 C ATOM 0 H ILE A 148 5.717 71.452 12.190 1.00 0.00 H new ATOM 0 HA ILE A 148 4.309 72.671 10.107 1.00 0.00 H new ATOM 0 HB ILE A 148 5.346 69.844 10.537 1.00 0.00 H new ATOM 0 HG12 ILE A 148 6.365 72.133 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 148 6.949 71.843 10.412 1.00 0.00 H new ATOM 0 HG21 ILE A 148 5.070 69.550 8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.499 69.815 8.881 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.280 71.141 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 148 8.427 70.748 8.743 1.00 0.00 H new ATOM 0 HD12 ILE A 148 7.635 69.528 9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 148 7.042 69.822 8.116 1.00 0.00 H new