USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1027 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 117 SER OG : rot -116:sc= 0.726 USER MOD Set 1.2: A 130 HIS : no HE2:sc= -8.59! C(o=-7.9!,f=-22!) USER MOD Set 2.1: A 109 THR OG1 : rot 71:sc= 1 USER MOD Set 2.2: A 116 LYS NZ :NH3+ -114:sc= -2.67! (180deg=-5.75!) USER MOD Set 3.1: A 74 HIS : no HE2:sc= -5.58! C(o=-8.5!,f=-14!) USER MOD Set 3.2: A 97 GLN : amide:sc= -2.91! C(o=-8.5!,f=-14!) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Set 4.2: A 13 GLN : amide:sc= 0 X(o=0,f=0.066) USER MOD Set 5.1: A 6 SER OG : rot 169:sc= -2.9! USER MOD Set 5.2: A 8 HIS : no HD1:sc= -5.92! C(o=-14!,f=-22!) USER MOD Set 5.3: A 125 THR OG1 : rot 14:sc= -0.64 USER MOD Set 5.4: A 126 ASN : amide:sc= -4.79! C(o=-14!,f=-28!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= -0.741 (180deg=-3.94!) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0261 (180deg=-0.491) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 22 SER OG : rot 180:sc= -0.648 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.414) USER MOD Single : A 34 THR OG1 : rot -16:sc= 0.25 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.81 F(o=-3.1!,f=-1.8) USER MOD Single : A 40 THR OG1 : rot -30:sc= -0.797 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0655 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.388 F(o=-2.6!,f=-0.39) USER MOD Single : A 53 THR OG1 : rot -129:sc= -0.468 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.185 F(o=-1.8!,f=-0.19) USER MOD Single : A 69 ASN :FLIP amide:sc= -4.43! C(o=-5.9!,f=-4.4!) USER MOD Single : A 73 TYR OH : rot -92:sc= 1.94 USER MOD Single : A 76 THR OG1 : rot -70:sc= -0.45 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= -0.0848 (180deg=-0.492) USER MOD Single : A 95 THR OG1 : rot -150:sc= -0.475 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 100 LYS NZ :NH3+ -157:sc= -0.117 (180deg=-1.04) USER MOD Single : A 104 LYS NZ :NH3+ 134:sc= -0.276 (180deg=-1.15!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.106 F(o=-1.9!,f=-0.11) USER MOD Single : A 113 ASN : amide:sc= 0.00543 K(o=0.0054,f=-5.5!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -150:sc= 0 USER MOD Single : A 123 MET CE :methyl 162:sc= -0.559 (180deg=-1.57) USER MOD Single : A 124 THR OG1 : rot 180:sc=-0.00553 USER MOD Single : A 134 LYS NZ :NH3+ -142:sc= 0.846 (180deg=-0.0877!) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -14.410 9.727 2.786 1.00 0.00 N ATOM 51 CA LYS A 5 -14.425 8.676 1.779 1.00 0.00 C ATOM 52 C LYS A 5 -13.629 7.468 2.258 1.00 0.00 C ATOM 53 O LYS A 5 -12.543 7.607 2.822 1.00 0.00 O ATOM 54 CB LYS A 5 -13.837 9.190 0.464 1.00 0.00 C ATOM 55 CG LYS A 5 -12.615 10.063 0.744 1.00 0.00 C ATOM 56 CD LYS A 5 -12.053 10.582 -0.577 1.00 0.00 C ATOM 57 CE LYS A 5 -12.666 11.950 -0.883 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.217 12.408 -2.228 1.00 0.00 N ATOM 0 HA LYS A 5 -15.460 8.376 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.556 8.350 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.587 9.764 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.890 10.898 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.856 9.487 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.968 10.662 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.278 9.882 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.754 11.887 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.367 12.672 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.966 12.980 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.355 12.982 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.016 11.582 -2.827 1.00 0.00 H new ATOM 72 N SER A 6 -14.179 6.281 2.035 1.00 0.00 N ATOM 73 CA SER A 6 -13.516 5.050 2.450 1.00 0.00 C ATOM 74 C SER A 6 -12.474 4.632 1.427 1.00 0.00 C ATOM 75 O SER A 6 -12.336 5.254 0.373 1.00 0.00 O ATOM 76 CB SER A 6 -14.543 3.928 2.592 1.00 0.00 C ATOM 77 OG SER A 6 -14.116 2.811 1.830 1.00 0.00 O ATOM 0 H SER A 6 -15.077 6.144 1.572 1.00 0.00 H new ATOM 0 HA SER A 6 -13.028 5.233 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.653 3.649 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.520 4.267 2.248 1.00 0.00 H new ATOM 0 HG SER A 6 -14.664 2.031 2.058 1.00 0.00 H new ATOM 83 N LEU A 7 -11.742 3.571 1.741 1.00 0.00 N ATOM 84 CA LEU A 7 -10.720 3.077 0.836 1.00 0.00 C ATOM 85 C LEU A 7 -11.315 2.776 -0.539 1.00 0.00 C ATOM 86 O LEU A 7 -10.928 3.387 -1.533 1.00 0.00 O ATOM 87 CB LEU A 7 -10.098 1.803 1.403 1.00 0.00 C ATOM 88 CG LEU A 7 -8.964 2.165 2.362 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.547 0.913 3.132 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.759 2.712 1.587 1.00 0.00 C ATOM 0 H LEU A 7 -11.837 3.042 2.608 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.956 3.847 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.856 1.218 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.717 1.181 0.593 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.312 2.933 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.738 1.161 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.398 0.532 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.207 0.151 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.961 2.965 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.403 1.956 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.055 3.605 1.037 1.00 0.00 H new ATOM 102 N HIS A 8 -12.258 1.832 -0.591 1.00 0.00 N ATOM 103 CA HIS A 8 -12.888 1.467 -1.859 1.00 0.00 C ATOM 104 C HIS A 8 -13.372 2.713 -2.589 1.00 0.00 C ATOM 105 O HIS A 8 -13.230 2.824 -3.806 1.00 0.00 O ATOM 106 CB HIS A 8 -14.061 0.508 -1.616 1.00 0.00 C ATOM 107 CG HIS A 8 -15.012 1.089 -0.604 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.679 2.284 -0.818 1.00 0.00 N ATOM 109 CD2 HIS A 8 -15.419 0.651 0.634 1.00 0.00 C ATOM 110 CE1 HIS A 8 -16.442 2.523 0.263 1.00 0.00 C ATOM 111 NE2 HIS A 8 -16.320 1.560 1.177 1.00 0.00 N ATOM 0 H HIS A 8 -12.598 1.314 0.219 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.147 0.963 -2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.586 0.321 -2.553 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.687 -0.453 -1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -15.089 -0.260 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -17.076 3.390 0.377 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.788 1.502 2.082 1.00 0.00 H new ATOM 120 N GLU A 9 -13.937 3.650 -1.841 1.00 0.00 N ATOM 121 CA GLU A 9 -14.429 4.884 -2.433 1.00 0.00 C ATOM 122 C GLU A 9 -13.292 5.608 -3.147 1.00 0.00 C ATOM 123 O GLU A 9 -13.439 6.052 -4.287 1.00 0.00 O ATOM 124 CB GLU A 9 -15.013 5.785 -1.347 1.00 0.00 C ATOM 125 CG GLU A 9 -16.536 5.821 -1.469 1.00 0.00 C ATOM 126 CD GLU A 9 -16.940 6.614 -2.707 1.00 0.00 C ATOM 127 OE1 GLU A 9 -18.082 7.039 -2.768 1.00 0.00 O ATOM 128 OE2 GLU A 9 -16.102 6.786 -3.577 1.00 0.00 O ATOM 0 H GLU A 9 -14.065 3.580 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.209 4.644 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.726 5.416 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.607 6.792 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.928 4.806 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.970 6.275 -0.578 1.00 0.00 H new ATOM 135 N LYS A 10 -12.155 5.720 -2.469 1.00 0.00 N ATOM 136 CA LYS A 10 -10.996 6.385 -3.050 1.00 0.00 C ATOM 137 C LYS A 10 -10.585 5.706 -4.352 1.00 0.00 C ATOM 138 O LYS A 10 -10.456 6.356 -5.382 1.00 0.00 O ATOM 139 CB LYS A 10 -9.820 6.355 -2.072 1.00 0.00 C ATOM 140 CG LYS A 10 -8.700 7.258 -2.593 1.00 0.00 C ATOM 141 CD LYS A 10 -8.570 8.484 -1.687 1.00 0.00 C ATOM 142 CE LYS A 10 -7.455 9.393 -2.208 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.764 10.806 -1.853 1.00 0.00 N ATOM 0 H LYS A 10 -12.012 5.362 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.269 7.420 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.144 6.691 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.455 5.334 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.758 6.710 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.915 7.569 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.514 9.029 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.351 8.172 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.499 9.098 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.362 9.290 -3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.007 11.426 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.669 11.083 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.832 10.897 -0.819 1.00 0.00 H new ATOM 157 N LEU A 11 -10.375 4.394 -4.296 1.00 0.00 N ATOM 158 CA LEU A 11 -9.972 3.647 -5.485 1.00 0.00 C ATOM 159 C LEU A 11 -10.995 3.823 -6.603 1.00 0.00 C ATOM 160 O LEU A 11 -10.641 3.866 -7.781 1.00 0.00 O ATOM 161 CB LEU A 11 -9.828 2.159 -5.155 1.00 0.00 C ATOM 162 CG LEU A 11 -8.981 1.989 -3.893 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.840 0.502 -3.566 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.594 2.593 -4.119 1.00 0.00 C ATOM 0 H LEU A 11 -10.475 3.831 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.011 4.036 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.811 1.713 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.363 1.635 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.468 2.500 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.236 0.383 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.827 0.071 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.356 -0.009 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.993 2.470 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.107 2.085 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.692 3.654 -4.348 1.00 0.00 H new ATOM 176 N LYS A 12 -12.264 3.921 -6.226 1.00 0.00 N ATOM 177 CA LYS A 12 -13.330 4.088 -7.207 1.00 0.00 C ATOM 178 C LYS A 12 -13.348 5.512 -7.753 1.00 0.00 C ATOM 179 O LYS A 12 -13.798 5.749 -8.875 1.00 0.00 O ATOM 180 CB LYS A 12 -14.684 3.763 -6.570 1.00 0.00 C ATOM 181 CG LYS A 12 -14.805 2.260 -6.317 1.00 0.00 C ATOM 182 CD LYS A 12 -15.862 2.004 -5.241 1.00 0.00 C ATOM 183 CE LYS A 12 -16.289 0.537 -5.289 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.610 0.065 -3.913 1.00 0.00 N ATOM 0 H LYS A 12 -12.579 3.888 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.143 3.402 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.792 4.306 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.490 4.094 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.078 1.747 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.844 1.856 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.461 2.246 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.725 2.651 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.159 0.422 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.491 -0.071 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.996 -0.739 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.453 0.838 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.605 -0.235 -3.872 1.00 0.00 H new ATOM 198 N GLN A 13 -12.856 6.455 -6.959 1.00 0.00 N ATOM 199 CA GLN A 13 -12.823 7.853 -7.381 1.00 0.00 C ATOM 200 C GLN A 13 -11.497 8.182 -8.064 1.00 0.00 C ATOM 201 O GLN A 13 -11.437 9.051 -8.933 1.00 0.00 O ATOM 202 CB GLN A 13 -13.016 8.767 -6.169 1.00 0.00 C ATOM 203 CG GLN A 13 -12.974 10.228 -6.621 1.00 0.00 C ATOM 204 CD GLN A 13 -14.119 11.002 -5.978 1.00 0.00 C ATOM 205 OE1 GLN A 13 -15.044 11.431 -6.668 1.00 0.00 O ATOM 206 NE2 GLN A 13 -14.113 11.207 -4.690 1.00 0.00 N ATOM 0 H GLN A 13 -12.477 6.282 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.632 8.015 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.969 8.552 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.235 8.581 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.020 10.676 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.050 10.284 -7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.346 10.851 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.876 11.724 -4.252 1.00 0.00 H new ATOM 215 N ASP A 14 -10.439 7.485 -7.664 1.00 0.00 N ATOM 216 CA ASP A 14 -9.118 7.713 -8.240 1.00 0.00 C ATOM 217 C ASP A 14 -8.845 6.729 -9.375 1.00 0.00 C ATOM 218 O ASP A 14 -8.688 5.531 -9.147 1.00 0.00 O ATOM 219 CB ASP A 14 -8.044 7.560 -7.162 1.00 0.00 C ATOM 220 CG ASP A 14 -7.605 8.931 -6.659 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.409 9.159 -6.588 1.00 0.00 O ATOM 222 OD2 ASP A 14 -8.472 9.731 -6.348 1.00 0.00 O ATOM 0 H ASP A 14 -10.469 6.761 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.091 8.726 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.432 6.967 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.187 7.021 -7.566 1.00 0.00 H new ATOM 227 N LYS A 15 -8.783 7.246 -10.598 1.00 0.00 N ATOM 228 CA LYS A 15 -8.524 6.405 -11.761 1.00 0.00 C ATOM 229 C LYS A 15 -7.110 5.832 -11.706 1.00 0.00 C ATOM 230 O LYS A 15 -6.834 4.779 -12.279 1.00 0.00 O ATOM 231 CB LYS A 15 -8.699 7.218 -13.045 1.00 0.00 C ATOM 232 CG LYS A 15 -10.189 7.516 -13.269 1.00 0.00 C ATOM 233 CD LYS A 15 -10.669 6.865 -14.576 1.00 0.00 C ATOM 234 CE LYS A 15 -12.035 7.429 -14.978 1.00 0.00 C ATOM 235 NZ LYS A 15 -12.917 7.557 -13.781 1.00 0.00 N ATOM 0 H LYS A 15 -8.908 8.236 -10.809 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.237 5.581 -11.754 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.138 8.150 -12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.297 6.666 -13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.773 7.138 -12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.350 8.593 -13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.944 7.048 -15.369 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.737 5.785 -14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.909 8.403 -15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.503 6.776 -15.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.909 7.625 -14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.799 6.723 -13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.659 8.413 -13.250 1.00 0.00 H new ATOM 249 N ARG A 16 -6.221 6.535 -11.011 1.00 0.00 N ATOM 250 CA ARG A 16 -4.836 6.088 -10.881 1.00 0.00 C ATOM 251 C ARG A 16 -4.785 4.662 -10.345 1.00 0.00 C ATOM 252 O ARG A 16 -3.829 3.928 -10.591 1.00 0.00 O ATOM 253 CB ARG A 16 -4.070 7.016 -9.939 1.00 0.00 C ATOM 254 CG ARG A 16 -4.887 8.289 -9.686 1.00 0.00 C ATOM 255 CD ARG A 16 -4.051 9.305 -8.899 1.00 0.00 C ATOM 256 NE ARG A 16 -4.055 10.595 -9.578 1.00 0.00 N ATOM 257 CZ ARG A 16 -3.186 10.866 -10.546 1.00 0.00 C ATOM 258 NH1 ARG A 16 -2.309 9.968 -10.905 1.00 0.00 N ATOM 259 NH2 ARG A 16 -3.208 12.029 -11.138 1.00 0.00 N ATOM 0 H ARG A 16 -6.431 7.411 -10.532 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.372 6.113 -11.867 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.870 6.508 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.104 7.273 -10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.202 8.723 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.793 8.045 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.453 9.415 -7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.028 8.943 -8.796 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.737 11.302 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.291 9.059 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.642 10.175 -11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.893 12.731 -10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.540 12.236 -11.881 1.00 0.00 H new ATOM 273 N PHE A 17 -5.825 4.283 -9.608 1.00 0.00 N ATOM 274 CA PHE A 17 -5.906 2.943 -9.029 1.00 0.00 C ATOM 275 C PHE A 17 -7.080 2.159 -9.613 1.00 0.00 C ATOM 276 O PHE A 17 -7.632 1.271 -8.965 1.00 0.00 O ATOM 277 CB PHE A 17 -6.066 3.042 -7.514 1.00 0.00 C ATOM 278 CG PHE A 17 -5.188 4.150 -6.979 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.847 4.245 -7.380 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.714 5.081 -6.074 1.00 0.00 C ATOM 281 CE1 PHE A 17 -3.037 5.269 -6.874 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.904 6.104 -5.570 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.565 6.198 -5.971 1.00 0.00 C ATOM 0 H PHE A 17 -6.623 4.883 -9.397 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.984 2.415 -9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.108 3.237 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.796 2.094 -7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.440 3.529 -8.078 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.746 5.009 -5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.004 5.342 -7.181 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.311 6.821 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.940 6.988 -5.583 1.00 0.00 H new ATOM 293 N SER A 18 -7.451 2.487 -10.843 1.00 0.00 N ATOM 294 CA SER A 18 -8.551 1.793 -11.505 1.00 0.00 C ATOM 295 C SER A 18 -8.197 0.321 -11.700 1.00 0.00 C ATOM 296 O SER A 18 -9.028 -0.582 -11.506 1.00 0.00 O ATOM 297 CB SER A 18 -8.822 2.437 -12.866 1.00 0.00 C ATOM 298 OG SER A 18 -9.829 1.698 -13.541 1.00 0.00 O ATOM 0 H SER A 18 -7.013 3.221 -11.399 1.00 0.00 H new ATOM 0 HA SER A 18 -9.443 1.868 -10.883 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.140 3.471 -12.735 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.909 2.457 -13.461 1.00 0.00 H new ATOM 0 HG SER A 18 -10.007 2.108 -14.413 1.00 0.00 H new ATOM 304 N THR A 19 -6.948 0.081 -12.075 1.00 0.00 N ATOM 305 CA THR A 19 -6.489 -1.279 -12.289 1.00 0.00 C ATOM 306 C THR A 19 -6.629 -2.082 -11.004 1.00 0.00 C ATOM 307 O THR A 19 -7.012 -3.254 -11.025 1.00 0.00 O ATOM 308 CB THR A 19 -5.028 -1.278 -12.742 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.825 -0.243 -13.695 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.694 -2.630 -13.369 1.00 0.00 C ATOM 0 H THR A 19 -6.244 0.802 -12.235 1.00 0.00 H new ATOM 0 HA THR A 19 -7.100 -1.737 -13.067 1.00 0.00 H new ATOM 0 HB THR A 19 -4.379 -1.105 -11.884 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.888 -0.243 -13.983 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.653 -2.634 -13.693 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.848 -3.420 -12.634 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.342 -2.803 -14.228 1.00 0.00 H new ATOM 318 N PHE A 20 -6.312 -1.437 -9.886 1.00 0.00 N ATOM 319 CA PHE A 20 -6.404 -2.085 -8.586 1.00 0.00 C ATOM 320 C PHE A 20 -7.822 -2.539 -8.327 1.00 0.00 C ATOM 321 O PHE A 20 -8.050 -3.650 -7.855 1.00 0.00 O ATOM 322 CB PHE A 20 -5.944 -1.120 -7.490 1.00 0.00 C ATOM 323 CG PHE A 20 -4.462 -1.304 -7.260 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.941 -1.198 -5.966 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.608 -1.601 -8.337 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.571 -1.389 -5.746 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.245 -1.787 -8.117 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.725 -1.687 -6.826 1.00 0.00 C ATOM 0 H PHE A 20 -5.990 -0.470 -9.856 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.755 -2.961 -8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.154 -0.091 -7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.494 -1.308 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.595 -0.969 -5.137 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.009 -1.685 -9.336 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.166 -1.307 -4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.590 -2.009 -8.947 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.669 -1.839 -6.657 1.00 0.00 H new ATOM 338 N LEU A 21 -8.769 -1.687 -8.657 1.00 0.00 N ATOM 339 CA LEU A 21 -10.164 -2.026 -8.462 1.00 0.00 C ATOM 340 C LEU A 21 -10.491 -3.306 -9.217 1.00 0.00 C ATOM 341 O LEU A 21 -11.208 -4.173 -8.710 1.00 0.00 O ATOM 342 CB LEU A 21 -11.060 -0.895 -8.981 1.00 0.00 C ATOM 343 CG LEU A 21 -12.280 -0.724 -8.064 1.00 0.00 C ATOM 344 CD1 LEU A 21 -13.206 0.332 -8.640 1.00 0.00 C ATOM 345 CD2 LEU A 21 -13.031 -2.054 -7.950 1.00 0.00 C ATOM 0 H LEU A 21 -8.602 -0.764 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.344 -2.169 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.495 0.036 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.387 -1.117 -9.997 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.945 -0.413 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.071 0.452 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.674 1.280 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.539 0.023 -9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.896 -1.929 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.364 -2.370 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.368 -2.811 -7.531 1.00 0.00 H new ATOM 357 N SER A 22 -9.966 -3.408 -10.434 1.00 0.00 N ATOM 358 CA SER A 22 -10.230 -4.579 -11.273 1.00 0.00 C ATOM 359 C SER A 22 -9.670 -5.867 -10.671 1.00 0.00 C ATOM 360 O SER A 22 -10.403 -6.826 -10.416 1.00 0.00 O ATOM 361 CB SER A 22 -9.621 -4.378 -12.660 1.00 0.00 C ATOM 362 OG SER A 22 -8.691 -5.424 -12.919 1.00 0.00 O ATOM 0 H SER A 22 -9.362 -2.705 -10.860 1.00 0.00 H new ATOM 0 HA SER A 22 -11.313 -4.680 -11.341 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.405 -4.376 -13.418 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.123 -3.410 -12.715 1.00 0.00 H new ATOM 0 HG SER A 22 -8.299 -5.300 -13.808 1.00 0.00 H new ATOM 368 N LEU A 23 -8.365 -5.894 -10.465 1.00 0.00 N ATOM 369 CA LEU A 23 -7.715 -7.086 -9.925 1.00 0.00 C ATOM 370 C LEU A 23 -8.109 -7.362 -8.475 1.00 0.00 C ATOM 371 O LEU A 23 -8.413 -8.502 -8.118 1.00 0.00 O ATOM 372 CB LEU A 23 -6.195 -6.957 -10.010 1.00 0.00 C ATOM 373 CG LEU A 23 -5.743 -5.585 -9.491 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.001 -5.759 -8.164 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.804 -4.948 -10.514 1.00 0.00 C ATOM 0 H LEU A 23 -7.736 -5.115 -10.660 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.055 -7.923 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.724 -7.747 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.870 -7.087 -11.042 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.613 -4.947 -9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.680 -4.784 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.665 -6.222 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.129 -6.395 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.479 -3.973 -10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.935 -5.589 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.327 -4.827 -11.462 1.00 0.00 H new ATOM 387 N LEU A 24 -8.096 -6.334 -7.631 1.00 0.00 N ATOM 388 CA LEU A 24 -8.447 -6.536 -6.231 1.00 0.00 C ATOM 389 C LEU A 24 -9.861 -7.076 -6.125 1.00 0.00 C ATOM 390 O LEU A 24 -10.173 -7.847 -5.219 1.00 0.00 O ATOM 391 CB LEU A 24 -8.287 -5.241 -5.423 1.00 0.00 C ATOM 392 CG LEU A 24 -9.588 -4.424 -5.443 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.594 -4.950 -4.404 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.253 -2.978 -5.103 1.00 0.00 C ATOM 0 H LEU A 24 -7.853 -5.376 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.761 -7.268 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.017 -5.479 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.472 -4.647 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.037 -4.507 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.504 -4.351 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.834 -5.990 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.157 -4.882 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.165 -2.381 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.800 -2.933 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.554 -2.583 -5.840 1.00 0.00 H new ATOM 406 N GLU A 25 -10.712 -6.686 -7.064 1.00 0.00 N ATOM 407 CA GLU A 25 -12.081 -7.163 -7.060 1.00 0.00 C ATOM 408 C GLU A 25 -12.130 -8.645 -7.439 1.00 0.00 C ATOM 409 O GLU A 25 -12.954 -9.397 -6.919 1.00 0.00 O ATOM 410 CB GLU A 25 -12.901 -6.349 -8.058 1.00 0.00 C ATOM 411 CG GLU A 25 -14.163 -7.112 -8.428 1.00 0.00 C ATOM 412 CD GLU A 25 -15.242 -6.140 -8.890 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.937 -5.299 -9.720 1.00 0.00 O ATOM 414 OE2 GLU A 25 -16.355 -6.246 -8.404 1.00 0.00 O ATOM 0 H GLU A 25 -10.480 -6.050 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.496 -7.045 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.162 -5.383 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.310 -6.149 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.945 -7.830 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.518 -7.682 -7.569 1.00 0.00 H new ATOM 421 N ALA A 26 -11.243 -9.065 -8.343 1.00 0.00 N ATOM 422 CA ALA A 26 -11.214 -10.467 -8.768 1.00 0.00 C ATOM 423 C ALA A 26 -10.734 -11.369 -7.632 1.00 0.00 C ATOM 424 O ALA A 26 -11.127 -12.533 -7.538 1.00 0.00 O ATOM 425 CB ALA A 26 -10.296 -10.639 -9.983 1.00 0.00 C ATOM 0 H ALA A 26 -10.547 -8.467 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.229 -10.756 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.286 -11.686 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.664 -10.027 -10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.285 -10.327 -9.722 1.00 0.00 H new ATOM 431 N ALA A 27 -9.884 -10.819 -6.773 1.00 0.00 N ATOM 432 CA ALA A 27 -9.347 -11.567 -5.637 1.00 0.00 C ATOM 433 C ALA A 27 -10.369 -11.634 -4.511 1.00 0.00 C ATOM 434 O ALA A 27 -10.192 -12.380 -3.547 1.00 0.00 O ATOM 435 CB ALA A 27 -8.084 -10.880 -5.132 1.00 0.00 C ATOM 0 H ALA A 27 -9.550 -9.857 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.115 -12.581 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.681 -11.436 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.343 -10.849 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.323 -9.864 -4.819 1.00 0.00 H new ATOM 441 N ASP A 28 -11.432 -10.846 -4.632 1.00 0.00 N ATOM 442 CA ASP A 28 -12.476 -10.821 -3.612 1.00 0.00 C ATOM 443 C ASP A 28 -12.059 -9.927 -2.450 1.00 0.00 C ATOM 444 O ASP A 28 -12.416 -10.184 -1.299 1.00 0.00 O ATOM 445 CB ASP A 28 -12.754 -12.240 -3.097 1.00 0.00 C ATOM 446 CG ASP A 28 -14.226 -12.390 -2.716 1.00 0.00 C ATOM 447 OD1 ASP A 28 -14.505 -12.485 -1.532 1.00 0.00 O ATOM 448 OD2 ASP A 28 -15.051 -12.413 -3.615 1.00 0.00 O ATOM 0 H ASP A 28 -11.594 -10.220 -5.421 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.385 -10.421 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.494 -12.969 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.125 -12.449 -2.232 1.00 0.00 H new ATOM 453 N LEU A 29 -11.310 -8.871 -2.758 1.00 0.00 N ATOM 454 CA LEU A 29 -10.864 -7.943 -1.726 1.00 0.00 C ATOM 455 C LEU A 29 -11.800 -6.740 -1.671 1.00 0.00 C ATOM 456 O LEU A 29 -11.438 -5.676 -1.170 1.00 0.00 O ATOM 457 CB LEU A 29 -9.415 -7.488 -1.985 1.00 0.00 C ATOM 458 CG LEU A 29 -8.435 -8.336 -1.147 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.507 -7.961 0.331 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.773 -9.822 -1.284 1.00 0.00 C ATOM 0 H LEU A 29 -11.003 -8.639 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.888 -8.455 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.179 -7.586 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.306 -6.434 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.430 -8.140 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.806 -8.575 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.249 -6.909 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.518 -8.131 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.075 -10.410 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.789 -9.998 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.696 -10.118 -2.330 1.00 0.00 H new ATOM 472 N LYS A 30 -13.011 -6.926 -2.190 1.00 0.00 N ATOM 473 CA LYS A 30 -14.007 -5.862 -2.203 1.00 0.00 C ATOM 474 C LYS A 30 -15.118 -6.137 -1.194 1.00 0.00 C ATOM 475 O LYS A 30 -15.911 -5.249 -0.879 1.00 0.00 O ATOM 476 CB LYS A 30 -14.602 -5.684 -3.616 1.00 0.00 C ATOM 477 CG LYS A 30 -14.908 -7.044 -4.281 1.00 0.00 C ATOM 478 CD LYS A 30 -16.327 -7.515 -3.924 1.00 0.00 C ATOM 479 CE LYS A 30 -16.328 -9.036 -3.736 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.733 -9.544 -3.731 1.00 0.00 N ATOM 0 H LYS A 30 -13.325 -7.803 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.506 -4.937 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.517 -5.095 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.903 -5.124 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.810 -6.956 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.180 -7.786 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.666 -7.025 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.024 -7.235 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.763 -9.511 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.834 -9.296 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.752 -10.508 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.325 -8.921 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.101 -9.558 -4.704 1.00 0.00 H new ATOM 494 N GLU A 31 -15.170 -7.365 -0.682 1.00 0.00 N ATOM 495 CA GLU A 31 -16.189 -7.720 0.301 1.00 0.00 C ATOM 496 C GLU A 31 -15.783 -7.209 1.670 1.00 0.00 C ATOM 497 O GLU A 31 -16.411 -6.313 2.195 1.00 0.00 O ATOM 498 CB GLU A 31 -16.347 -9.240 0.355 1.00 0.00 C ATOM 499 CG GLU A 31 -17.775 -9.631 -0.023 1.00 0.00 C ATOM 500 CD GLU A 31 -17.931 -11.145 0.064 1.00 0.00 C ATOM 501 OE1 GLU A 31 -17.035 -11.781 0.592 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.943 -11.646 -0.398 1.00 0.00 O ATOM 0 H GLU A 31 -14.529 -8.120 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.136 -7.265 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.639 -9.712 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.115 -9.603 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.485 -9.143 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.001 -9.289 -1.033 1.00 0.00 H new ATOM 509 N LEU A 32 -14.709 -7.745 2.227 1.00 0.00 N ATOM 510 CA LEU A 32 -14.239 -7.289 3.532 1.00 0.00 C ATOM 511 C LEU A 32 -14.233 -5.761 3.600 1.00 0.00 C ATOM 512 O LEU A 32 -14.282 -5.171 4.680 1.00 0.00 O ATOM 513 CB LEU A 32 -12.827 -7.851 3.817 1.00 0.00 C ATOM 514 CG LEU A 32 -11.733 -7.123 2.999 1.00 0.00 C ATOM 515 CD1 LEU A 32 -10.367 -7.429 3.602 1.00 0.00 C ATOM 516 CD2 LEU A 32 -11.736 -7.611 1.553 1.00 0.00 C ATOM 0 H LEU A 32 -14.150 -8.487 1.805 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.923 -7.660 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.607 -7.755 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.807 -8.915 3.582 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.936 -6.052 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.593 -6.918 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.340 -7.084 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.189 -8.504 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.961 -7.089 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.541 -8.683 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.708 -7.409 1.103 1.00 0.00 H new ATOM 528 N LEU A 33 -14.145 -5.135 2.433 1.00 0.00 N ATOM 529 CA LEU A 33 -14.099 -3.677 2.345 1.00 0.00 C ATOM 530 C LEU A 33 -15.349 -3.038 2.948 1.00 0.00 C ATOM 531 O LEU A 33 -15.323 -1.878 3.366 1.00 0.00 O ATOM 532 CB LEU A 33 -13.956 -3.258 0.875 1.00 0.00 C ATOM 533 CG LEU A 33 -12.525 -2.782 0.593 1.00 0.00 C ATOM 534 CD1 LEU A 33 -12.236 -1.513 1.394 1.00 0.00 C ATOM 535 CD2 LEU A 33 -11.536 -3.876 0.998 1.00 0.00 C ATOM 0 H LEU A 33 -14.104 -5.613 1.533 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.239 -3.328 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.202 -4.098 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.663 -2.461 0.647 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.419 -2.569 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.219 -1.178 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.939 -0.732 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.343 -1.722 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.519 -3.539 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.645 -4.090 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.738 -4.780 0.424 1.00 0.00 H new ATOM 547 N THR A 34 -16.435 -3.799 3.000 1.00 0.00 N ATOM 548 CA THR A 34 -17.686 -3.298 3.562 1.00 0.00 C ATOM 549 C THR A 34 -17.575 -3.210 5.080 1.00 0.00 C ATOM 550 O THR A 34 -18.423 -2.612 5.743 1.00 0.00 O ATOM 551 CB THR A 34 -18.834 -4.232 3.185 1.00 0.00 C ATOM 552 OG1 THR A 34 -20.030 -3.799 3.819 1.00 0.00 O ATOM 553 CG2 THR A 34 -18.492 -5.648 3.639 1.00 0.00 C ATOM 0 H THR A 34 -16.477 -4.761 2.662 1.00 0.00 H new ATOM 0 HA THR A 34 -17.883 -2.305 3.159 1.00 0.00 H new ATOM 0 HB THR A 34 -18.980 -4.219 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.810 -3.174 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.307 -6.322 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.575 -5.976 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.349 -5.659 4.720 1.00 0.00 H new ATOM 561 N GLN A 35 -16.508 -3.797 5.616 1.00 0.00 N ATOM 562 CA GLN A 35 -16.263 -3.772 7.059 1.00 0.00 C ATOM 563 C GLN A 35 -14.857 -3.248 7.358 1.00 0.00 C ATOM 564 O GLN A 35 -13.966 -4.016 7.722 1.00 0.00 O ATOM 565 CB GLN A 35 -16.405 -5.173 7.646 1.00 0.00 C ATOM 566 CG GLN A 35 -17.866 -5.621 7.554 1.00 0.00 C ATOM 567 CD GLN A 35 -17.954 -6.979 6.870 1.00 0.00 C ATOM 568 OE1 GLN A 35 -17.223 -7.215 5.817 1.00 0.00 O flip ATOM 569 NE2 GLN A 35 -18.707 -7.848 7.307 1.00 0.00 N flip ATOM 0 H GLN A 35 -15.800 -4.295 5.076 1.00 0.00 H new ATOM 0 HA GLN A 35 -17.000 -3.109 7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.765 -5.871 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.077 -5.178 8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -18.300 -5.679 8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -18.446 -4.886 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -19.278 -7.661 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.760 -8.756 6.845 1.00 0.00 H new ATOM 578 N PRO A 36 -14.641 -1.967 7.201 1.00 0.00 N ATOM 579 CA PRO A 36 -13.318 -1.330 7.446 1.00 0.00 C ATOM 580 C PRO A 36 -13.095 -0.953 8.912 1.00 0.00 C ATOM 581 O PRO A 36 -13.902 -1.277 9.783 1.00 0.00 O ATOM 582 CB PRO A 36 -13.384 -0.086 6.569 1.00 0.00 C ATOM 583 CG PRO A 36 -14.826 0.302 6.543 1.00 0.00 C ATOM 584 CD PRO A 36 -15.638 -0.974 6.773 1.00 0.00 C ATOM 0 HA PRO A 36 -12.489 -1.999 7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.768 0.716 6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.014 -0.293 5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.041 1.040 7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.086 0.757 5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.404 -0.826 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.149 -1.290 5.863 1.00 0.00 H new ATOM 592 N GLY A 37 -11.985 -0.262 9.169 1.00 0.00 N ATOM 593 CA GLY A 37 -11.638 0.167 10.522 1.00 0.00 C ATOM 594 C GLY A 37 -10.488 1.161 10.472 1.00 0.00 C ATOM 595 O GLY A 37 -10.625 2.258 9.932 1.00 0.00 O ATOM 0 H GLY A 37 -11.310 0.013 8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.504 0.624 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.358 -0.696 11.126 1.00 0.00 H new ATOM 599 N ASP A 38 -9.347 0.756 11.014 1.00 0.00 N ATOM 600 CA ASP A 38 -8.161 1.601 10.996 1.00 0.00 C ATOM 601 C ASP A 38 -6.966 0.767 10.570 1.00 0.00 C ATOM 602 O ASP A 38 -6.521 -0.115 11.299 1.00 0.00 O ATOM 603 CB ASP A 38 -7.917 2.173 12.389 1.00 0.00 C ATOM 604 CG ASP A 38 -8.843 1.492 13.390 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.338 0.836 14.286 1.00 0.00 O ATOM 606 OD2 ASP A 38 -10.046 1.630 13.241 1.00 0.00 O ATOM 0 H ASP A 38 -9.218 -0.148 11.469 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.305 2.422 10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.877 2.021 12.679 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.094 3.249 12.388 1.00 0.00 H new ATOM 611 N TRP A 39 -6.474 1.035 9.365 1.00 0.00 N ATOM 612 CA TRP A 39 -5.338 0.287 8.820 1.00 0.00 C ATOM 613 C TRP A 39 -4.513 1.189 7.906 1.00 0.00 C ATOM 614 O TRP A 39 -5.020 2.175 7.369 1.00 0.00 O ATOM 615 CB TRP A 39 -5.802 -0.945 8.000 1.00 0.00 C ATOM 616 CG TRP A 39 -6.774 -1.813 8.756 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.982 -1.416 9.171 1.00 0.00 C ATOM 618 CD2 TRP A 39 -6.671 -3.228 9.121 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.613 -2.450 9.830 1.00 0.00 N ATOM 620 CE2 TRP A 39 -7.851 -3.597 9.817 1.00 0.00 C ATOM 621 CE3 TRP A 39 -5.677 -4.209 8.943 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -8.038 -4.886 10.312 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -5.866 -5.511 9.439 1.00 0.00 C ATOM 624 CH2 TRP A 39 -7.044 -5.848 10.124 1.00 0.00 C ATOM 0 H TRP A 39 -6.839 1.760 8.747 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.741 -0.056 9.665 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.267 -0.606 7.074 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.932 -1.539 7.720 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.400 -0.433 9.014 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.529 -2.375 10.272 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.764 -3.960 8.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -8.947 -5.139 10.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -5.099 -6.257 9.292 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.181 -6.849 10.505 1.00 0.00 H new ATOM 635 N THR A 40 -3.245 0.827 7.716 1.00 0.00 N ATOM 636 CA THR A 40 -2.357 1.590 6.847 1.00 0.00 C ATOM 637 C THR A 40 -2.334 0.922 5.474 1.00 0.00 C ATOM 638 O THR A 40 -1.861 -0.206 5.335 1.00 0.00 O ATOM 639 CB THR A 40 -0.941 1.630 7.459 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.042 1.651 8.876 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.167 2.872 6.993 1.00 0.00 C ATOM 0 H THR A 40 -2.813 0.012 8.152 1.00 0.00 H new ATOM 0 HA THR A 40 -2.712 2.615 6.744 1.00 0.00 H new ATOM 0 HB THR A 40 -0.402 0.743 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.873 2.100 9.138 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.826 2.871 7.441 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.075 2.857 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.702 3.771 7.299 1.00 0.00 H new ATOM 649 N LEU A 41 -2.893 1.601 4.475 1.00 0.00 N ATOM 650 CA LEU A 41 -2.973 1.033 3.132 1.00 0.00 C ATOM 651 C LEU A 41 -1.803 1.483 2.256 1.00 0.00 C ATOM 652 O LEU A 41 -1.621 2.672 1.990 1.00 0.00 O ATOM 653 CB LEU A 41 -4.327 1.427 2.496 1.00 0.00 C ATOM 654 CG LEU A 41 -4.476 0.902 1.046 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.637 1.733 0.072 1.00 0.00 C ATOM 656 CD2 LEU A 41 -4.017 -0.549 0.954 1.00 0.00 C ATOM 0 H LEU A 41 -3.293 2.535 4.568 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.909 -0.053 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.140 1.034 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.423 2.513 2.498 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.530 0.980 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.760 1.343 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.966 2.772 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.586 1.677 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.129 -0.902 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.970 -0.619 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.624 -1.165 1.618 1.00 0.00 H new ATOM 668 N PHE A 42 -1.025 0.505 1.801 1.00 0.00 N ATOM 669 CA PHE A 42 0.122 0.762 0.942 1.00 0.00 C ATOM 670 C PHE A 42 -0.253 0.466 -0.500 1.00 0.00 C ATOM 671 O PHE A 42 -0.625 -0.659 -0.829 1.00 0.00 O ATOM 672 CB PHE A 42 1.292 -0.128 1.371 1.00 0.00 C ATOM 673 CG PHE A 42 2.244 0.672 2.228 1.00 0.00 C ATOM 674 CD1 PHE A 42 1.841 1.130 3.493 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.531 0.956 1.762 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.730 1.873 4.284 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.413 1.696 2.553 1.00 0.00 C ATOM 678 CZ PHE A 42 4.016 2.151 3.813 1.00 0.00 C ATOM 0 H PHE A 42 -1.172 -0.481 2.017 1.00 0.00 H new ATOM 0 HA PHE A 42 0.419 1.807 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.923 -0.990 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.811 -0.513 0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.848 0.910 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.843 0.603 0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.421 2.230 5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.406 1.917 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.703 2.718 4.423 1.00 0.00 H new ATOM 688 N VAL A 43 -0.189 1.487 -1.348 1.00 0.00 N ATOM 689 CA VAL A 43 -0.564 1.316 -2.740 1.00 0.00 C ATOM 690 C VAL A 43 0.427 2.001 -3.696 1.00 0.00 C ATOM 691 O VAL A 43 0.590 3.217 -3.645 1.00 0.00 O ATOM 692 CB VAL A 43 -1.956 1.900 -2.959 1.00 0.00 C ATOM 693 CG1 VAL A 43 -2.097 3.239 -2.229 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.201 2.100 -4.458 1.00 0.00 C ATOM 0 H VAL A 43 0.115 2.428 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.553 0.248 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.694 1.205 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.096 3.641 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.940 3.089 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.355 3.941 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.196 2.517 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.454 2.785 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.127 1.141 -4.970 1.00 0.00 H new ATOM 704 N PRO A 44 1.075 1.267 -4.577 1.00 0.00 N ATOM 705 CA PRO A 44 2.027 1.858 -5.559 1.00 0.00 C ATOM 706 C PRO A 44 1.305 2.459 -6.764 1.00 0.00 C ATOM 707 O PRO A 44 0.235 1.990 -7.152 1.00 0.00 O ATOM 708 CB PRO A 44 2.869 0.664 -5.994 1.00 0.00 C ATOM 709 CG PRO A 44 1.963 -0.510 -5.869 1.00 0.00 C ATOM 710 CD PRO A 44 0.995 -0.193 -4.733 1.00 0.00 C ATOM 0 HA PRO A 44 2.607 2.674 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.223 0.782 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.751 0.552 -5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.424 -0.685 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.530 -1.416 -5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.019 -0.511 -4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.279 -0.706 -3.814 1.00 0.00 H new ATOM 718 N THR A 45 1.898 3.489 -7.359 1.00 0.00 N ATOM 719 CA THR A 45 1.304 4.131 -8.523 1.00 0.00 C ATOM 720 C THR A 45 1.763 3.441 -9.805 1.00 0.00 C ATOM 721 O THR A 45 2.581 2.523 -9.769 1.00 0.00 O ATOM 722 CB THR A 45 1.710 5.602 -8.567 1.00 0.00 C ATOM 723 OG1 THR A 45 3.047 5.737 -8.103 1.00 0.00 O ATOM 724 CG2 THR A 45 0.775 6.412 -7.675 1.00 0.00 C ATOM 0 H THR A 45 2.784 3.894 -7.056 1.00 0.00 H new ATOM 0 HA THR A 45 0.220 4.052 -8.446 1.00 0.00 H new ATOM 0 HB THR A 45 1.643 5.970 -9.591 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.310 6.681 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.063 7.463 -7.705 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.250 6.306 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.842 6.046 -6.650 1.00 0.00 H new ATOM 732 N ASN A 46 1.238 3.893 -10.937 1.00 0.00 N ATOM 733 CA ASN A 46 1.610 3.312 -12.222 1.00 0.00 C ATOM 734 C ASN A 46 3.124 3.365 -12.413 1.00 0.00 C ATOM 735 O ASN A 46 3.724 2.438 -12.966 1.00 0.00 O ATOM 736 CB ASN A 46 0.925 4.074 -13.357 1.00 0.00 C ATOM 737 CG ASN A 46 1.074 3.303 -14.664 1.00 0.00 C ATOM 738 OD1 ASN A 46 1.734 2.178 -14.675 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 0.577 3.739 -15.702 1.00 0.00 N flip ATOM 0 H ASN A 46 0.560 4.653 -10.993 1.00 0.00 H new ATOM 0 HA ASN A 46 1.288 2.271 -12.237 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.131 4.215 -13.126 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.365 5.066 -13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.061 4.619 -15.690 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.681 3.220 -16.574 1.00 0.00 H new ATOM 746 N ASP A 47 3.730 4.459 -11.958 1.00 0.00 N ATOM 747 CA ASP A 47 5.172 4.632 -12.080 1.00 0.00 C ATOM 748 C ASP A 47 5.902 3.408 -11.528 1.00 0.00 C ATOM 749 O ASP A 47 7.090 3.213 -11.779 1.00 0.00 O ATOM 750 CB ASP A 47 5.615 5.881 -11.318 1.00 0.00 C ATOM 751 CG ASP A 47 6.231 6.884 -12.289 1.00 0.00 C ATOM 752 OD1 ASP A 47 7.440 7.045 -12.256 1.00 0.00 O ATOM 753 OD2 ASP A 47 5.485 7.475 -13.052 1.00 0.00 O ATOM 0 H ASP A 47 3.247 5.234 -11.504 1.00 0.00 H new ATOM 0 HA ASP A 47 5.420 4.747 -13.135 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.762 6.330 -10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.340 5.612 -10.549 1.00 0.00 H new ATOM 758 N ALA A 48 5.174 2.598 -10.764 1.00 0.00 N ATOM 759 CA ALA A 48 5.739 1.398 -10.156 1.00 0.00 C ATOM 760 C ALA A 48 5.670 0.209 -11.107 1.00 0.00 C ATOM 761 O ALA A 48 6.543 -0.659 -11.099 1.00 0.00 O ATOM 762 CB ALA A 48 4.950 1.063 -8.896 1.00 0.00 C ATOM 0 H ALA A 48 4.188 2.752 -10.551 1.00 0.00 H new ATOM 0 HA ALA A 48 6.785 1.593 -9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.365 0.167 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.013 1.895 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.906 0.887 -9.156 1.00 0.00 H new ATOM 768 N PHE A 49 4.620 0.169 -11.915 1.00 0.00 N ATOM 769 CA PHE A 49 4.439 -0.928 -12.857 1.00 0.00 C ATOM 770 C PHE A 49 5.455 -0.829 -13.986 1.00 0.00 C ATOM 771 O PHE A 49 5.778 -1.824 -14.638 1.00 0.00 O ATOM 772 CB PHE A 49 3.025 -0.890 -13.437 1.00 0.00 C ATOM 773 CG PHE A 49 2.172 -1.930 -12.751 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.142 -1.997 -11.354 1.00 0.00 C ATOM 775 CD2 PHE A 49 1.411 -2.826 -13.511 1.00 0.00 C ATOM 776 CE1 PHE A 49 1.352 -2.959 -10.715 1.00 0.00 C ATOM 777 CE2 PHE A 49 0.621 -3.790 -12.873 1.00 0.00 C ATOM 778 CZ PHE A 49 0.592 -3.856 -11.474 1.00 0.00 C ATOM 0 H PHE A 49 3.886 0.877 -11.938 1.00 0.00 H new ATOM 0 HA PHE A 49 4.588 -1.869 -12.327 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.591 0.100 -13.300 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.055 -1.079 -14.510 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.729 -1.305 -10.768 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.433 -2.774 -14.590 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.329 -3.009 -9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.034 -4.482 -13.459 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.017 -4.599 -10.981 1.00 0.00 H new ATOM 834 N THR A 53 8.207 -6.909 -16.034 1.00 0.00 N ATOM 835 CA THR A 53 8.087 -7.706 -17.245 1.00 0.00 C ATOM 836 C THR A 53 6.887 -8.638 -17.155 1.00 0.00 C ATOM 837 O THR A 53 6.506 -9.082 -16.069 1.00 0.00 O ATOM 838 CB THR A 53 9.360 -8.518 -17.463 1.00 0.00 C ATOM 839 OG1 THR A 53 9.462 -9.520 -16.459 1.00 0.00 O ATOM 840 CG2 THR A 53 10.563 -7.583 -17.384 1.00 0.00 C ATOM 0 HA THR A 53 7.942 -7.033 -18.090 1.00 0.00 H new ATOM 0 HB THR A 53 9.332 -8.997 -18.442 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.349 -9.478 -16.044 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.478 -8.154 -17.539 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.479 -6.816 -18.154 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.592 -7.110 -16.403 1.00 0.00 H new ATOM 848 N SER A 54 6.295 -8.924 -18.304 1.00 0.00 N ATOM 849 CA SER A 54 5.135 -9.801 -18.353 1.00 0.00 C ATOM 850 C SER A 54 5.441 -11.131 -17.677 1.00 0.00 C ATOM 851 O SER A 54 4.557 -11.765 -17.107 1.00 0.00 O ATOM 852 CB SER A 54 4.727 -10.045 -19.805 1.00 0.00 C ATOM 853 OG SER A 54 3.456 -9.457 -20.039 1.00 0.00 O ATOM 0 H SER A 54 6.596 -8.564 -19.210 1.00 0.00 H new ATOM 0 HA SER A 54 4.314 -9.318 -17.822 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.468 -9.618 -20.480 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.689 -11.115 -20.010 1.00 0.00 H new ATOM 0 HG SER A 54 3.191 -9.610 -20.970 1.00 0.00 H new ATOM 859 N GLU A 55 6.701 -11.544 -17.739 1.00 0.00 N ATOM 860 CA GLU A 55 7.114 -12.799 -17.129 1.00 0.00 C ATOM 861 C GLU A 55 7.089 -12.689 -15.610 1.00 0.00 C ATOM 862 O GLU A 55 6.532 -13.544 -14.924 1.00 0.00 O ATOM 863 CB GLU A 55 8.524 -13.166 -17.595 1.00 0.00 C ATOM 864 CG GLU A 55 8.749 -14.667 -17.411 1.00 0.00 C ATOM 865 CD GLU A 55 10.232 -14.990 -17.553 1.00 0.00 C ATOM 866 OE1 GLU A 55 10.734 -14.904 -18.662 1.00 0.00 O ATOM 867 OE2 GLU A 55 10.845 -15.319 -16.551 1.00 0.00 O ATOM 0 H GLU A 55 7.450 -11.030 -18.203 1.00 0.00 H new ATOM 0 HA GLU A 55 6.417 -13.578 -17.436 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.654 -12.894 -18.642 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.264 -12.604 -17.025 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.392 -14.980 -16.430 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.174 -15.223 -18.151 1.00 0.00 H new ATOM 874 N GLU A 56 7.696 -11.629 -15.092 1.00 0.00 N ATOM 875 CA GLU A 56 7.737 -11.414 -13.652 1.00 0.00 C ATOM 876 C GLU A 56 6.343 -11.576 -13.048 1.00 0.00 C ATOM 877 O GLU A 56 6.110 -12.438 -12.195 1.00 0.00 O ATOM 878 CB GLU A 56 8.265 -10.008 -13.351 1.00 0.00 C ATOM 879 CG GLU A 56 9.637 -10.103 -12.678 1.00 0.00 C ATOM 880 CD GLU A 56 10.638 -10.761 -13.621 1.00 0.00 C ATOM 881 OE1 GLU A 56 10.275 -11.014 -14.758 1.00 0.00 O ATOM 882 OE2 GLU A 56 11.756 -11.001 -13.194 1.00 0.00 O ATOM 0 H GLU A 56 8.164 -10.909 -15.643 1.00 0.00 H new ATOM 0 HA GLU A 56 8.402 -12.155 -13.209 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.341 -9.433 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.567 -9.479 -12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.985 -9.108 -12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.560 -10.680 -11.757 1.00 0.00 H new ATOM 889 N LYS A 57 5.414 -10.740 -13.496 1.00 0.00 N ATOM 890 CA LYS A 57 4.051 -10.802 -12.987 1.00 0.00 C ATOM 891 C LYS A 57 3.444 -12.181 -13.229 1.00 0.00 C ATOM 892 O LYS A 57 2.760 -12.723 -12.363 1.00 0.00 O ATOM 893 CB LYS A 57 3.184 -9.732 -13.656 1.00 0.00 C ATOM 894 CG LYS A 57 3.154 -9.957 -15.171 1.00 0.00 C ATOM 895 CD LYS A 57 2.444 -8.778 -15.849 1.00 0.00 C ATOM 896 CE LYS A 57 3.347 -7.537 -15.846 1.00 0.00 C ATOM 897 NZ LYS A 57 2.714 -6.463 -15.034 1.00 0.00 N ATOM 0 H LYS A 57 5.576 -10.021 -14.201 1.00 0.00 H new ATOM 0 HA LYS A 57 4.083 -10.618 -11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.171 -9.769 -13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.579 -8.741 -13.435 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.169 -10.054 -15.555 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.636 -10.888 -15.401 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.183 -9.043 -16.873 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.512 -8.559 -15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.326 -7.788 -15.437 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.508 -7.189 -16.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.326 -5.622 -15.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.790 -6.217 -15.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.583 -6.797 -14.058 1.00 0.00 H new ATOM 911 N GLU A 58 3.696 -12.748 -14.408 1.00 0.00 N ATOM 912 CA GLU A 58 3.165 -14.053 -14.733 1.00 0.00 C ATOM 913 C GLU A 58 3.548 -15.059 -13.653 1.00 0.00 C ATOM 914 O GLU A 58 2.703 -15.795 -13.152 1.00 0.00 O ATOM 915 CB GLU A 58 3.697 -14.505 -16.095 1.00 0.00 C ATOM 916 CG GLU A 58 3.107 -15.862 -16.450 1.00 0.00 C ATOM 917 CD GLU A 58 2.393 -15.784 -17.794 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.069 -15.600 -18.792 1.00 0.00 O ATOM 919 OE2 GLU A 58 1.179 -15.908 -17.806 1.00 0.00 O ATOM 0 H GLU A 58 4.261 -12.321 -15.143 1.00 0.00 H new ATOM 0 HA GLU A 58 2.078 -13.994 -14.782 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.436 -13.773 -16.859 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.785 -14.566 -16.070 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.897 -16.612 -16.492 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.408 -16.178 -15.675 1.00 0.00 H new ATOM 926 N ILE A 59 4.822 -15.079 -13.288 1.00 0.00 N ATOM 927 CA ILE A 59 5.280 -15.999 -12.257 1.00 0.00 C ATOM 928 C ILE A 59 4.513 -15.768 -10.962 1.00 0.00 C ATOM 929 O ILE A 59 4.269 -16.702 -10.199 1.00 0.00 O ATOM 930 CB ILE A 59 6.779 -15.816 -12.022 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.535 -16.259 -13.278 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.216 -16.678 -10.833 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.764 -15.371 -13.488 1.00 0.00 C ATOM 0 H ILE A 59 5.546 -14.479 -13.683 1.00 0.00 H new ATOM 0 HA ILE A 59 5.096 -17.020 -12.592 1.00 0.00 H new ATOM 0 HB ILE A 59 6.997 -14.769 -11.809 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.841 -17.301 -13.180 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.880 -16.199 -14.147 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.285 -16.549 -10.664 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.668 -16.373 -9.942 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.006 -17.726 -11.047 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.296 -15.692 -14.383 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.448 -14.335 -13.606 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.424 -15.453 -12.624 1.00 0.00 H new ATOM 945 N LEU A 60 4.136 -14.518 -10.714 1.00 0.00 N ATOM 946 CA LEU A 60 3.398 -14.189 -9.499 1.00 0.00 C ATOM 947 C LEU A 60 1.927 -14.593 -9.610 1.00 0.00 C ATOM 948 O LEU A 60 1.432 -15.388 -8.811 1.00 0.00 O ATOM 949 CB LEU A 60 3.491 -12.697 -9.213 1.00 0.00 C ATOM 950 CG LEU A 60 4.959 -12.309 -9.056 1.00 0.00 C ATOM 951 CD1 LEU A 60 5.062 -10.796 -8.934 1.00 0.00 C ATOM 952 CD2 LEU A 60 5.552 -12.967 -7.805 1.00 0.00 C ATOM 0 H LEU A 60 4.326 -13.726 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 60 3.849 -14.749 -8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.037 -12.129 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.938 -12.453 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 60 5.516 -12.651 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.108 -10.510 -8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.653 -10.330 -9.831 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.499 -10.462 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.599 -12.682 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.001 -12.637 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.478 -14.051 -7.894 1.00 0.00 H new ATOM 964 N ILE A 61 1.227 -14.029 -10.595 1.00 0.00 N ATOM 965 CA ILE A 61 -0.192 -14.330 -10.782 1.00 0.00 C ATOM 966 C ILE A 61 -0.412 -15.824 -11.018 1.00 0.00 C ATOM 967 O ILE A 61 -1.547 -16.302 -11.000 1.00 0.00 O ATOM 968 CB ILE A 61 -0.760 -13.527 -11.956 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.160 -14.036 -13.262 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.404 -12.047 -11.787 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.188 -14.888 -14.009 1.00 0.00 C ATOM 0 H ILE A 61 1.614 -13.368 -11.269 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.716 -14.045 -9.870 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.843 -13.645 -11.978 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.149 -13.195 -13.883 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.734 -14.625 -13.057 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.809 -11.478 -12.623 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.829 -11.675 -10.855 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.680 -11.934 -11.762 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.753 -15.249 -14.941 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.475 -15.738 -13.390 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.069 -14.285 -14.229 1.00 0.00 H new ATOM 983 N ARG A 62 0.677 -16.557 -11.233 1.00 0.00 N ATOM 984 CA ARG A 62 0.584 -17.995 -11.464 1.00 0.00 C ATOM 985 C ARG A 62 0.077 -18.707 -10.213 1.00 0.00 C ATOM 986 O ARG A 62 -0.644 -19.702 -10.306 1.00 0.00 O ATOM 987 CB ARG A 62 1.958 -18.547 -11.851 1.00 0.00 C ATOM 988 CG ARG A 62 1.857 -20.051 -12.107 1.00 0.00 C ATOM 989 CD ARG A 62 2.652 -20.801 -11.038 1.00 0.00 C ATOM 990 NE ARG A 62 2.451 -22.237 -11.177 1.00 0.00 N ATOM 991 CZ ARG A 62 2.988 -22.909 -12.189 1.00 0.00 C ATOM 992 NH1 ARG A 62 3.710 -22.283 -13.078 1.00 0.00 N ATOM 993 NH2 ARG A 62 2.794 -24.195 -12.294 1.00 0.00 N ATOM 0 H ARG A 62 1.626 -16.183 -11.252 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.121 -18.172 -12.276 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.326 -18.041 -12.743 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.676 -18.351 -11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.813 -20.365 -12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.243 -20.289 -13.098 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.712 -20.564 -11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.338 -20.477 -10.046 1.00 0.00 H new ATOM 0 HE ARG A 62 1.889 -22.734 -10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.862 -21.278 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.122 -22.799 -13.855 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.230 -24.684 -11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.206 -24.711 -13.071 1.00 0.00 H new ATOM 1007 N ASP A 63 0.454 -18.189 -9.047 1.00 0.00 N ATOM 1008 CA ASP A 63 0.030 -18.781 -7.780 1.00 0.00 C ATOM 1009 C ASP A 63 -0.964 -17.863 -7.075 1.00 0.00 C ATOM 1010 O ASP A 63 -0.683 -16.688 -6.845 1.00 0.00 O ATOM 1011 CB ASP A 63 1.244 -19.016 -6.877 1.00 0.00 C ATOM 1012 CG ASP A 63 1.597 -20.500 -6.853 1.00 0.00 C ATOM 1013 OD1 ASP A 63 2.541 -20.876 -7.528 1.00 0.00 O ATOM 1014 OD2 ASP A 63 0.918 -21.239 -6.159 1.00 0.00 O ATOM 0 H ASP A 63 1.049 -17.366 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.453 -19.736 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.094 -18.437 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.029 -18.669 -5.867 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.130 -18.405 -6.742 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.160 -17.619 -6.070 1.00 0.00 C ATOM 1021 C LYS A 64 -2.612 -17.022 -4.776 1.00 0.00 C ATOM 1022 O LYS A 64 -2.945 -15.898 -4.407 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.387 -18.517 -5.785 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.312 -17.923 -4.694 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.967 -16.617 -5.183 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.470 -16.827 -5.403 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.011 -15.726 -6.254 1.00 0.00 N ATOM 0 H LYS A 64 -2.385 -19.376 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.467 -16.796 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.956 -18.653 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.047 -19.504 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.084 -18.646 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.736 -17.730 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.807 -15.825 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.498 -16.292 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.646 -17.790 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.989 -16.848 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.030 -15.870 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.856 -14.813 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.524 -15.727 -7.173 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.778 -17.783 -4.084 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.211 -17.317 -2.832 1.00 0.00 C ATOM 1043 C ASN A 65 -0.218 -16.186 -3.078 1.00 0.00 C ATOM 1044 O ASN A 65 -0.118 -15.256 -2.279 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.511 -18.471 -2.114 1.00 0.00 C ATOM 1046 CG ASN A 65 -0.806 -18.394 -0.622 1.00 0.00 C ATOM 1047 OD1 ASN A 65 0.092 -18.139 0.180 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.025 -18.598 -0.199 1.00 0.00 N ATOM 0 H ASN A 65 -1.482 -18.717 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.021 -16.940 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.855 -19.425 -2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.564 -18.422 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.234 -18.546 0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.768 -18.809 -0.866 1.00 0.00 H new ATOM 1055 N ALA A 66 0.509 -16.274 -4.188 1.00 0.00 N ATOM 1056 CA ALA A 66 1.506 -15.260 -4.521 1.00 0.00 C ATOM 1057 C ALA A 66 0.875 -13.881 -4.728 1.00 0.00 C ATOM 1058 O ALA A 66 1.191 -12.913 -4.013 1.00 0.00 O ATOM 1059 CB ALA A 66 2.251 -15.669 -5.794 1.00 0.00 C ATOM 0 H ALA A 66 0.428 -17.030 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 66 2.197 -15.191 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.994 -14.911 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.748 -16.626 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.542 -15.762 -6.616 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.023 -13.784 -5.702 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.667 -12.511 -5.965 1.00 0.00 C ATOM 1067 C LEU A 67 -1.424 -12.063 -4.728 1.00 0.00 C ATOM 1068 O LEU A 67 -1.520 -10.871 -4.458 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.583 -12.600 -7.210 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.074 -12.648 -6.838 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.905 -12.555 -8.109 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.385 -13.962 -6.125 1.00 0.00 C ATOM 0 H LEU A 67 -0.314 -14.552 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 67 0.091 -11.761 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.400 -11.741 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.326 -13.490 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.312 -11.815 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.964 -12.588 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.684 -11.618 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.663 -13.392 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.443 -13.992 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.150 -14.798 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.784 -14.035 -5.218 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.982 -13.016 -3.985 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.744 -12.667 -2.797 1.00 0.00 C ATOM 1086 C GLN A 68 -1.879 -11.862 -1.835 1.00 0.00 C ATOM 1087 O GLN A 68 -2.283 -10.801 -1.336 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.274 -13.916 -2.095 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.768 -14.102 -2.420 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.609 -13.175 -1.553 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.656 -11.899 -1.838 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.226 -13.619 -0.584 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.921 -14.015 -4.182 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.595 -12.062 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.711 -14.792 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.135 -13.826 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.948 -13.891 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.060 -15.138 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.186 -14.615 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.777 -12.991 0.001 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.673 -12.356 -1.577 1.00 0.00 N ATOM 1102 CA ASN A 69 0.220 -11.648 -0.680 1.00 0.00 C ATOM 1103 C ASN A 69 0.465 -10.243 -1.202 1.00 0.00 C ATOM 1104 O ASN A 69 0.451 -9.277 -0.436 1.00 0.00 O ATOM 1105 CB ASN A 69 1.554 -12.383 -0.541 1.00 0.00 C ATOM 1106 CG ASN A 69 1.329 -13.885 -0.595 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.015 -14.605 -1.436 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 0.500 -14.417 0.145 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.302 -13.222 -1.967 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.251 -11.599 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.231 -12.080 -1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.031 -12.112 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.035 -13.850 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.349 -15.425 0.100 1.00 0.00 H new ATOM 1115 N ILE A 70 0.683 -10.126 -2.510 1.00 0.00 N ATOM 1116 CA ILE A 70 0.918 -8.808 -3.096 1.00 0.00 C ATOM 1117 C ILE A 70 -0.371 -7.987 -3.117 1.00 0.00 C ATOM 1118 O ILE A 70 -0.345 -6.768 -2.945 1.00 0.00 O ATOM 1119 CB ILE A 70 1.456 -8.946 -4.517 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.881 -9.501 -4.466 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.470 -7.569 -5.184 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.280 -10.021 -5.847 1.00 0.00 C ATOM 0 H ILE A 70 0.702 -10.904 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 70 1.655 -8.293 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 70 0.821 -9.624 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.574 -8.723 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.943 -10.305 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.854 -7.661 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.457 -7.169 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.110 -6.895 -4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.295 -10.416 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.594 -10.812 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.235 -9.206 -6.570 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.494 -8.657 -3.327 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.779 -7.974 -3.366 1.00 0.00 C ATOM 1136 C ILE A 71 -2.945 -7.089 -2.144 1.00 0.00 C ATOM 1137 O ILE A 71 -3.219 -5.899 -2.268 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.913 -8.991 -3.406 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.157 -9.433 -4.849 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.188 -8.387 -2.825 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.149 -8.484 -5.523 1.00 0.00 C ATOM 0 H ILE A 71 -1.543 -9.665 -3.472 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.811 -7.357 -4.264 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.632 -9.857 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.217 -9.441 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.545 -10.451 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.989 -9.125 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.012 -8.092 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.475 -7.512 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.318 -8.805 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.093 -8.498 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.744 -7.472 -5.521 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.792 -7.670 -0.958 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.944 -6.887 0.262 1.00 0.00 C ATOM 1155 C LEU A 72 -1.909 -5.785 0.315 1.00 0.00 C ATOM 1156 O LEU A 72 -1.917 -4.961 1.230 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.770 -7.776 1.478 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.792 -8.900 1.418 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -3.082 -10.221 1.689 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.871 -8.638 2.471 1.00 0.00 C ATOM 0 H LEU A 72 -2.569 -8.655 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.943 -6.450 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.760 -8.186 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.902 -7.195 2.391 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.262 -8.947 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.804 -11.037 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.311 -10.381 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.623 -10.191 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.612 -9.437 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.414 -8.606 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.357 -7.684 2.265 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.017 -5.783 -0.664 1.00 0.00 N ATOM 1173 CA TYR A 73 0.036 -4.779 -0.713 1.00 0.00 C ATOM 1174 C TYR A 73 0.564 -4.479 0.685 1.00 0.00 C ATOM 1175 O TYR A 73 0.656 -3.319 1.082 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.490 -3.488 -1.335 1.00 0.00 C ATOM 1177 CG TYR A 73 -0.970 -3.764 -2.739 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -0.060 -4.177 -3.720 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.325 -3.620 -3.058 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -0.506 -4.440 -5.021 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -2.770 -3.884 -4.358 1.00 0.00 C ATOM 1182 CZ TYR A 73 -1.861 -4.296 -5.339 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.300 -4.556 -6.621 1.00 0.00 O ATOM 0 H TYR A 73 -1.000 -6.458 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 73 0.847 -5.176 -1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.306 -3.088 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.296 -2.733 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.985 -4.293 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.027 -3.305 -2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.196 -4.754 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.815 -3.770 -4.604 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.290 -3.728 -7.145 1.00 0.00 H new ATOM 1193 N HIS A 74 0.925 -5.526 1.428 1.00 0.00 N ATOM 1194 CA HIS A 74 1.461 -5.346 2.775 1.00 0.00 C ATOM 1195 C HIS A 74 0.508 -4.494 3.625 1.00 0.00 C ATOM 1196 O HIS A 74 0.906 -3.505 4.245 1.00 0.00 O ATOM 1197 CB HIS A 74 2.870 -4.708 2.710 1.00 0.00 C ATOM 1198 CG HIS A 74 3.248 -4.413 1.284 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.259 -5.393 0.306 1.00 0.00 N ATOM 1200 CD2 HIS A 74 3.581 -3.244 0.647 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.587 -4.804 -0.856 1.00 0.00 C ATOM 1202 NE2 HIS A 74 3.792 -3.492 -0.705 1.00 0.00 N ATOM 0 H HIS A 74 0.857 -6.497 1.123 1.00 0.00 H new ATOM 0 HA HIS A 74 1.551 -6.323 3.250 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.887 -3.788 3.295 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.602 -5.382 3.155 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.055 -6.383 0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.666 -2.278 1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.674 -5.327 -1.797 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.763 -4.887 3.662 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.740 -4.146 4.446 1.00 0.00 C ATOM 1213 C LEU A 75 -1.436 -4.299 5.930 1.00 0.00 C ATOM 1214 O LEU A 75 -1.260 -5.412 6.414 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.154 -4.664 4.150 1.00 0.00 C ATOM 1216 CG LEU A 75 -4.164 -4.061 5.141 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.096 -2.537 5.089 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.578 -4.513 4.770 1.00 0.00 C ATOM 0 H LEU A 75 -1.133 -5.699 3.168 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.684 -3.092 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.437 -4.405 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.172 -5.752 4.219 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.920 -4.401 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.814 -2.117 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.091 -2.208 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.334 -2.196 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.293 -4.085 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.815 -4.176 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.635 -5.601 4.812 1.00 0.00 H new ATOM 1230 N THR A 76 -1.381 -3.179 6.646 1.00 0.00 N ATOM 1231 CA THR A 76 -1.100 -3.209 8.077 1.00 0.00 C ATOM 1232 C THR A 76 -2.256 -2.580 8.873 1.00 0.00 C ATOM 1233 O THR A 76 -2.787 -1.561 8.461 1.00 0.00 O ATOM 1234 CB THR A 76 0.188 -2.416 8.334 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.240 -3.309 8.671 1.00 0.00 O ATOM 1236 CG2 THR A 76 -0.009 -1.397 9.468 1.00 0.00 C ATOM 0 H THR A 76 -1.526 -2.246 6.261 1.00 0.00 H new ATOM 0 HA THR A 76 -0.986 -4.244 8.401 1.00 0.00 H new ATOM 0 HB THR A 76 0.444 -1.872 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.071 -3.694 9.556 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.919 -0.849 9.630 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.801 -0.699 9.196 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.285 -1.920 10.383 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.618 -3.115 10.020 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.698 -2.521 10.871 1.00 0.00 C ATOM 1246 C PRO A 77 -3.199 -1.324 11.666 1.00 0.00 C ATOM 1247 O PRO A 77 -2.037 -1.275 12.070 1.00 0.00 O ATOM 1248 CB PRO A 77 -4.062 -3.652 11.828 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.818 -4.471 11.957 1.00 0.00 C ATOM 1250 CD PRO A 77 -2.061 -4.336 10.636 1.00 0.00 C ATOM 0 HA PRO A 77 -4.533 -2.159 10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.379 -3.263 12.795 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.887 -4.248 11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.208 -4.119 12.789 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.061 -5.514 12.158 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.987 -4.245 10.800 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.213 -5.208 9.999 1.00 0.00 H new ATOM 1258 N GLY A 78 -4.088 -0.372 11.905 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.726 0.807 12.674 1.00 0.00 C ATOM 1260 C GLY A 78 -3.098 1.885 11.799 1.00 0.00 C ATOM 1261 O GLY A 78 -2.112 1.648 11.102 1.00 0.00 O ATOM 0 H GLY A 78 -5.055 -0.392 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.614 1.208 13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.027 0.526 13.462 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.683 3.073 11.855 1.00 0.00 N ATOM 1266 CA VAL A 79 -3.189 4.211 11.080 1.00 0.00 C ATOM 1267 C VAL A 79 -1.897 4.766 11.672 1.00 0.00 C ATOM 1268 O VAL A 79 -1.792 4.977 12.881 1.00 0.00 O ATOM 1269 CB VAL A 79 -4.225 5.333 11.065 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.478 4.889 10.315 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.603 5.704 12.502 1.00 0.00 C ATOM 0 H VAL A 79 -4.501 3.278 12.428 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.000 3.854 10.068 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.795 6.198 10.561 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.207 5.699 10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.216 4.634 9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.907 4.016 10.808 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.342 6.505 12.489 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.022 4.832 13.005 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.714 6.039 13.037 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.923 5.020 10.805 1.00 0.00 N ATOM 1282 CA PHE A 80 0.350 5.571 11.247 1.00 0.00 C ATOM 1283 C PHE A 80 0.365 7.088 11.071 1.00 0.00 C ATOM 1284 O PHE A 80 0.227 7.591 9.957 1.00 0.00 O ATOM 1285 CB PHE A 80 1.496 4.947 10.457 1.00 0.00 C ATOM 1286 CG PHE A 80 2.040 3.779 11.240 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.671 2.475 10.897 1.00 0.00 C ATOM 1288 CD2 PHE A 80 2.906 4.003 12.317 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.170 1.393 11.630 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.406 2.921 13.049 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.037 1.615 12.707 1.00 0.00 C ATOM 0 H PHE A 80 -0.990 4.854 9.801 1.00 0.00 H new ATOM 0 HA PHE A 80 0.478 5.339 12.304 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.146 4.617 9.479 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.280 5.684 10.282 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.002 2.303 10.067 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.188 5.011 12.583 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.886 0.385 11.365 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.077 3.093 13.878 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.421 0.779 13.273 1.00 0.00 H new ATOM 1301 N ILE A 81 0.537 7.811 12.173 1.00 0.00 N ATOM 1302 CA ILE A 81 0.568 9.273 12.119 1.00 0.00 C ATOM 1303 C ILE A 81 1.962 9.753 11.814 1.00 0.00 C ATOM 1304 O ILE A 81 2.811 9.769 12.711 1.00 0.00 O ATOM 1305 CB ILE A 81 0.172 9.815 13.486 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -1.334 10.094 13.505 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.944 11.107 13.827 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -1.809 10.302 14.943 1.00 0.00 C ATOM 0 H ILE A 81 0.656 7.416 13.106 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.116 9.617 11.343 1.00 0.00 H new ATOM 0 HB ILE A 81 0.424 9.066 14.236 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.556 10.979 12.908 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.872 9.261 13.052 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.637 11.466 14.809 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.014 10.900 13.835 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.727 11.869 13.078 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.881 10.500 14.947 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.603 9.405 15.527 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.282 11.150 15.381 1.00 0.00 H new ATOM 1405 N GLY A 88 15.544 8.318 11.346 1.00 0.00 N ATOM 1406 CA GLY A 88 16.914 7.913 11.052 1.00 0.00 C ATOM 1407 C GLY A 88 17.091 6.409 11.223 1.00 0.00 C ATOM 1408 O GLY A 88 17.860 5.779 10.499 1.00 0.00 O ATOM 0 HA2 GLY A 88 17.170 8.199 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.602 8.441 11.713 1.00 0.00 H new ATOM 1412 N VAL A 89 16.377 5.840 12.188 1.00 0.00 N ATOM 1413 CA VAL A 89 16.464 4.412 12.448 1.00 0.00 C ATOM 1414 C VAL A 89 15.326 3.668 11.759 1.00 0.00 C ATOM 1415 O VAL A 89 14.260 4.232 11.517 1.00 0.00 O ATOM 1416 CB VAL A 89 16.412 4.156 13.952 1.00 0.00 C ATOM 1417 CG1 VAL A 89 17.037 5.341 14.692 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.957 3.982 14.398 1.00 0.00 C ATOM 0 H VAL A 89 15.735 6.345 12.799 1.00 0.00 H new ATOM 0 HA VAL A 89 17.410 4.045 12.049 1.00 0.00 H new ATOM 0 HB VAL A 89 16.968 3.248 14.183 1.00 0.00 H new ATOM 0 HG11 VAL A 89 17.000 5.159 15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 89 18.074 5.459 14.379 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.482 6.250 14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.925 3.799 15.472 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.395 4.887 14.167 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.514 3.136 13.873 1.00 0.00 H new ATOM 1428 N THR A 90 15.557 2.397 11.452 1.00 0.00 N ATOM 1429 CA THR A 90 14.539 1.586 10.795 1.00 0.00 C ATOM 1430 C THR A 90 13.650 0.895 11.826 1.00 0.00 C ATOM 1431 O THR A 90 14.110 0.549 12.914 1.00 0.00 O ATOM 1432 CB THR A 90 15.200 0.534 9.903 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.604 0.757 9.870 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.631 0.631 8.487 1.00 0.00 C ATOM 0 H THR A 90 16.432 1.909 11.645 1.00 0.00 H new ATOM 0 HA THR A 90 13.922 2.244 10.184 1.00 0.00 H new ATOM 0 HB THR A 90 15.000 -0.460 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.029 0.082 9.300 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.103 -0.119 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.555 0.458 8.515 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.828 1.624 8.083 1.00 0.00 H new ATOM 1442 N ASN A 91 12.375 0.693 11.477 1.00 0.00 N ATOM 1443 CA ASN A 91 11.438 0.039 12.390 1.00 0.00 C ATOM 1444 C ASN A 91 10.814 -1.186 11.730 1.00 0.00 C ATOM 1445 O ASN A 91 10.266 -1.093 10.634 1.00 0.00 O ATOM 1446 CB ASN A 91 10.337 1.017 12.803 1.00 0.00 C ATOM 1447 CG ASN A 91 10.955 2.287 13.375 1.00 0.00 C ATOM 1448 OD1 ASN A 91 11.738 2.226 14.323 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.648 3.444 12.853 1.00 0.00 N ATOM 0 H ASN A 91 11.974 0.970 10.581 1.00 0.00 H new ATOM 0 HA ASN A 91 11.988 -0.280 13.276 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.715 1.261 11.942 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.687 0.553 13.545 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.057 4.299 13.231 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.999 3.493 12.068 1.00 0.00 H new ATOM 1456 N ILE A 92 10.906 -2.329 12.407 1.00 0.00 N ATOM 1457 CA ILE A 92 10.349 -3.573 11.878 1.00 0.00 C ATOM 1458 C ILE A 92 8.869 -3.689 12.227 1.00 0.00 C ATOM 1459 O ILE A 92 8.512 -3.973 13.371 1.00 0.00 O ATOM 1460 CB ILE A 92 11.101 -4.773 12.458 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.599 -4.457 12.527 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.875 -5.997 11.567 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.089 -3.941 11.171 1.00 0.00 C ATOM 0 H ILE A 92 11.358 -2.420 13.317 1.00 0.00 H new ATOM 0 HA ILE A 92 10.459 -3.563 10.794 1.00 0.00 H new ATOM 0 HB ILE A 92 10.730 -4.982 13.461 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.786 -3.710 13.299 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.155 -5.352 12.807 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.411 -6.852 11.980 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.810 -6.223 11.523 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.244 -5.789 10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.155 -3.719 11.230 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.918 -4.701 10.409 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.544 -3.035 10.908 1.00 0.00 H new ATOM 1475 N LEU A 93 8.014 -3.472 11.233 1.00 0.00 N ATOM 1476 CA LEU A 93 6.573 -3.556 11.436 1.00 0.00 C ATOM 1477 C LEU A 93 6.016 -4.805 10.766 1.00 0.00 C ATOM 1478 O LEU A 93 6.577 -5.293 9.787 1.00 0.00 O ATOM 1479 CB LEU A 93 5.895 -2.321 10.844 1.00 0.00 C ATOM 1480 CG LEU A 93 5.954 -1.168 11.844 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.411 -0.827 12.155 1.00 0.00 C ATOM 1482 CD2 LEU A 93 5.262 0.055 11.241 1.00 0.00 C ATOM 0 H LEU A 93 8.294 -3.237 10.281 1.00 0.00 H new ATOM 0 HA LEU A 93 6.375 -3.607 12.507 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.388 -2.034 9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.858 -2.548 10.597 1.00 0.00 H new ATOM 0 HG LEU A 93 5.450 -1.460 12.765 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.448 -0.004 12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.906 -1.700 12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.920 -0.534 11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.301 0.882 11.950 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.769 0.343 10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.222 -0.187 11.022 1.00 0.00 H new ATOM 1494 N LYS A 94 4.907 -5.311 11.296 1.00 0.00 N ATOM 1495 CA LYS A 94 4.274 -6.502 10.739 1.00 0.00 C ATOM 1496 C LYS A 94 2.963 -6.138 10.055 1.00 0.00 C ATOM 1497 O LYS A 94 2.169 -5.368 10.596 1.00 0.00 O ATOM 1498 CB LYS A 94 4.001 -7.512 11.853 1.00 0.00 C ATOM 1499 CG LYS A 94 5.328 -8.095 12.349 1.00 0.00 C ATOM 1500 CD LYS A 94 5.502 -9.520 11.812 1.00 0.00 C ATOM 1501 CE LYS A 94 4.446 -10.444 12.428 1.00 0.00 C ATOM 1502 NZ LYS A 94 3.527 -10.926 11.358 1.00 0.00 N ATOM 0 H LYS A 94 4.430 -4.917 12.107 1.00 0.00 H new ATOM 0 HA LYS A 94 4.948 -6.941 10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.474 -7.029 12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.356 -8.310 11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.157 -7.469 12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.348 -8.102 13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.410 -9.522 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.501 -9.887 12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.928 -11.290 12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.883 -9.911 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.568 -11.034 11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.510 -10.237 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.861 -11.844 11.001 1.00 0.00 H new ATOM 1516 N THR A 95 2.740 -6.697 8.865 1.00 0.00 N ATOM 1517 CA THR A 95 1.514 -6.419 8.119 1.00 0.00 C ATOM 1518 C THR A 95 0.632 -7.659 8.043 1.00 0.00 C ATOM 1519 O THR A 95 1.080 -8.775 8.300 1.00 0.00 O ATOM 1520 CB THR A 95 1.855 -5.947 6.705 1.00 0.00 C ATOM 1521 OG1 THR A 95 1.942 -7.069 5.842 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.191 -5.207 6.724 1.00 0.00 C ATOM 0 H THR A 95 3.385 -7.338 8.402 1.00 0.00 H new ATOM 0 HA THR A 95 0.969 -5.634 8.643 1.00 0.00 H new ATOM 0 HB THR A 95 1.076 -5.275 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.583 -6.881 5.125 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.435 -4.870 5.716 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.120 -4.345 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.973 -5.877 7.082 1.00 0.00 H new ATOM 1530 N THR A 96 -0.628 -7.449 7.688 1.00 0.00 N ATOM 1531 CA THR A 96 -1.577 -8.548 7.576 1.00 0.00 C ATOM 1532 C THR A 96 -1.102 -9.566 6.537 1.00 0.00 C ATOM 1533 O THR A 96 -1.399 -10.757 6.641 1.00 0.00 O ATOM 1534 CB THR A 96 -2.968 -8.005 7.202 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.962 -8.764 7.872 1.00 0.00 O ATOM 1536 CG2 THR A 96 -3.185 -8.109 5.694 1.00 0.00 C ATOM 0 H THR A 96 -1.016 -6.530 7.473 1.00 0.00 H new ATOM 0 HA THR A 96 -1.644 -9.052 8.540 1.00 0.00 H new ATOM 0 HB THR A 96 -3.035 -6.959 7.500 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.849 -8.420 7.638 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.172 -7.722 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.423 -7.527 5.176 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.115 -9.153 5.387 1.00 0.00 H new ATOM 1544 N GLN A 97 -0.370 -9.087 5.533 1.00 0.00 N ATOM 1545 CA GLN A 97 0.133 -9.959 4.478 1.00 0.00 C ATOM 1546 C GLN A 97 0.913 -11.127 5.073 1.00 0.00 C ATOM 1547 O GLN A 97 1.018 -12.189 4.458 1.00 0.00 O ATOM 1548 CB GLN A 97 1.048 -9.160 3.545 1.00 0.00 C ATOM 1549 CG GLN A 97 1.703 -10.100 2.529 1.00 0.00 C ATOM 1550 CD GLN A 97 2.359 -9.289 1.418 1.00 0.00 C ATOM 1551 OE1 GLN A 97 2.170 -8.074 1.338 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.128 -9.889 0.550 1.00 0.00 N ATOM 0 H GLN A 97 -0.114 -8.105 5.429 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.715 -10.352 3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.473 -8.393 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.814 -8.646 4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.448 -10.723 3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.955 -10.772 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.284 -10.895 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.573 -9.352 -0.195 1.00 0.00 H new ATOM 1561 N GLY A 98 1.455 -10.927 6.271 1.00 0.00 N ATOM 1562 CA GLY A 98 2.222 -11.974 6.938 1.00 0.00 C ATOM 1563 C GLY A 98 3.712 -11.660 6.906 1.00 0.00 C ATOM 1564 O GLY A 98 4.511 -12.333 7.556 1.00 0.00 O ATOM 0 H GLY A 98 1.378 -10.056 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.889 -12.072 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.038 -12.932 6.451 1.00 0.00 H new ATOM 1568 N SER A 99 4.078 -10.633 6.145 1.00 0.00 N ATOM 1569 CA SER A 99 5.478 -10.239 6.037 1.00 0.00 C ATOM 1570 C SER A 99 5.754 -8.995 6.874 1.00 0.00 C ATOM 1571 O SER A 99 4.830 -8.364 7.398 1.00 0.00 O ATOM 1572 CB SER A 99 5.831 -9.962 4.575 1.00 0.00 C ATOM 1573 OG SER A 99 4.695 -9.432 3.906 1.00 0.00 O ATOM 0 H SER A 99 3.431 -10.064 5.599 1.00 0.00 H new ATOM 0 HA SER A 99 6.094 -11.056 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.662 -9.258 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.157 -10.881 4.088 1.00 0.00 H new ATOM 0 HG SER A 99 4.921 -9.253 2.969 1.00 0.00 H new ATOM 1579 N LYS A 100 7.033 -8.650 6.995 1.00 0.00 N ATOM 1580 CA LYS A 100 7.434 -7.482 7.769 1.00 0.00 C ATOM 1581 C LYS A 100 7.897 -6.362 6.845 1.00 0.00 C ATOM 1582 O LYS A 100 8.422 -6.616 5.761 1.00 0.00 O ATOM 1583 CB LYS A 100 8.564 -7.853 8.734 1.00 0.00 C ATOM 1584 CG LYS A 100 9.488 -8.887 8.078 1.00 0.00 C ATOM 1585 CD LYS A 100 10.653 -9.208 9.016 1.00 0.00 C ATOM 1586 CE LYS A 100 11.838 -9.723 8.198 1.00 0.00 C ATOM 1587 NZ LYS A 100 11.337 -10.534 7.052 1.00 0.00 N ATOM 0 H LYS A 100 7.806 -9.161 6.568 1.00 0.00 H new ATOM 0 HA LYS A 100 6.572 -7.135 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.132 -6.963 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.148 -8.257 9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.930 -9.796 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.867 -8.502 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.942 -8.317 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.349 -9.957 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.432 -8.886 7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.492 -10.327 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.083 -11.187 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.503 -11.079 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.075 -9.903 6.268 1.00 0.00 H new ATOM 1601 N ILE A 101 7.696 -5.123 7.282 1.00 0.00 N ATOM 1602 CA ILE A 101 8.093 -3.963 6.491 1.00 0.00 C ATOM 1603 C ILE A 101 8.954 -3.018 7.329 1.00 0.00 C ATOM 1604 O ILE A 101 8.691 -2.809 8.513 1.00 0.00 O ATOM 1605 CB ILE A 101 6.842 -3.241 5.982 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.253 -2.098 5.050 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.053 -2.681 7.165 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.010 -1.477 4.399 1.00 0.00 C ATOM 0 H ILE A 101 7.262 -4.896 8.177 1.00 0.00 H new ATOM 0 HA ILE A 101 8.685 -4.295 5.638 1.00 0.00 H new ATOM 0 HB ILE A 101 6.216 -3.946 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.797 -1.338 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.929 -2.471 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.164 -2.168 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.756 -3.497 7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.676 -1.978 7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.313 -0.665 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.483 -2.237 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.350 -1.087 5.174 1.00 0.00 H new ATOM 1620 N PHE A 102 9.995 -2.464 6.709 1.00 0.00 N ATOM 1621 CA PHE A 102 10.901 -1.556 7.409 1.00 0.00 C ATOM 1622 C PHE A 102 10.530 -0.100 7.140 1.00 0.00 C ATOM 1623 O PHE A 102 10.490 0.338 5.990 1.00 0.00 O ATOM 1624 CB PHE A 102 12.342 -1.807 6.960 1.00 0.00 C ATOM 1625 CG PHE A 102 12.472 -3.224 6.455 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.039 -3.475 5.198 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.021 -4.288 7.243 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.151 -4.791 4.731 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.134 -5.603 6.777 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.700 -5.855 5.521 1.00 0.00 C ATOM 0 H PHE A 102 10.231 -2.627 5.730 1.00 0.00 H new ATOM 0 HA PHE A 102 10.812 -1.746 8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.617 -1.103 6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.027 -1.641 7.791 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.389 -2.654 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.585 -4.095 8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.585 -4.985 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.785 -6.424 7.386 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.788 -6.870 5.162 1.00 0.00 H new ATOM 1640 N LEU A 103 10.259 0.647 8.208 1.00 0.00 N ATOM 1641 CA LEU A 103 9.889 2.058 8.083 1.00 0.00 C ATOM 1642 C LEU A 103 10.993 2.939 8.622 1.00 0.00 C ATOM 1643 O LEU A 103 11.751 2.525 9.490 1.00 0.00 O ATOM 1644 CB LEU A 103 8.604 2.344 8.871 1.00 0.00 C ATOM 1645 CG LEU A 103 7.363 2.002 8.045 1.00 0.00 C ATOM 1646 CD1 LEU A 103 7.043 3.132 7.066 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.573 0.690 7.284 1.00 0.00 C ATOM 0 H LEU A 103 10.288 0.302 9.167 1.00 0.00 H new ATOM 0 HA LEU A 103 9.728 2.273 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.602 1.763 9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.576 3.395 9.157 1.00 0.00 H new ATOM 0 HG LEU A 103 6.520 1.881 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.157 2.872 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.857 4.052 7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.887 3.279 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.681 0.461 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.428 0.790 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.760 -0.116 7.993 1.00 0.00 H new ATOM 1659 N LYS A 104 11.076 4.157 8.098 1.00 0.00 N ATOM 1660 CA LYS A 104 12.098 5.090 8.537 1.00 0.00 C ATOM 1661 C LYS A 104 11.730 6.516 8.142 1.00 0.00 C ATOM 1662 O LYS A 104 11.520 6.811 6.970 1.00 0.00 O ATOM 1663 CB LYS A 104 13.435 4.697 7.913 1.00 0.00 C ATOM 1664 CG LYS A 104 14.415 5.876 7.985 1.00 0.00 C ATOM 1665 CD LYS A 104 15.850 5.384 7.756 1.00 0.00 C ATOM 1666 CE LYS A 104 16.083 5.148 6.261 1.00 0.00 C ATOM 1667 NZ LYS A 104 15.908 6.431 5.523 1.00 0.00 N ATOM 0 H LYS A 104 10.452 4.516 7.375 1.00 0.00 H new ATOM 0 HA LYS A 104 12.176 5.051 9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.851 3.836 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.288 4.399 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.154 6.622 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.340 6.362 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.561 6.119 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.021 4.461 8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.086 4.755 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.382 4.402 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.691 6.554 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.006 6.414 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.905 7.222 6.198 1.00 0.00 H new ATOM 1681 N GLU A 105 11.654 7.402 9.126 1.00 0.00 N ATOM 1682 CA GLU A 105 11.312 8.793 8.858 1.00 0.00 C ATOM 1683 C GLU A 105 12.569 9.654 8.868 1.00 0.00 C ATOM 1684 O GLU A 105 13.254 9.752 9.884 1.00 0.00 O ATOM 1685 CB GLU A 105 10.326 9.305 9.909 1.00 0.00 C ATOM 1686 CG GLU A 105 9.792 10.675 9.485 1.00 0.00 C ATOM 1687 CD GLU A 105 8.674 11.110 10.426 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.312 12.275 10.384 1.00 0.00 O ATOM 1689 OE2 GLU A 105 8.198 10.274 11.175 1.00 0.00 O ATOM 0 H GLU A 105 11.823 7.186 10.108 1.00 0.00 H new ATOM 0 HA GLU A 105 10.847 8.854 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.502 8.601 10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.818 9.379 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.597 11.409 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.420 10.629 8.461 1.00 0.00 H new ATOM 1696 N VAL A 106 12.872 10.266 7.729 1.00 0.00 N ATOM 1697 CA VAL A 106 14.055 11.109 7.617 1.00 0.00 C ATOM 1698 C VAL A 106 13.725 12.408 6.892 1.00 0.00 C ATOM 1699 O VAL A 106 12.902 12.429 5.978 1.00 0.00 O ATOM 1700 CB VAL A 106 15.152 10.360 6.860 1.00 0.00 C ATOM 1701 CG1 VAL A 106 16.164 11.359 6.297 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.855 9.399 7.819 1.00 0.00 C ATOM 0 H VAL A 106 12.318 10.195 6.875 1.00 0.00 H new ATOM 0 HA VAL A 106 14.404 11.352 8.621 1.00 0.00 H new ATOM 0 HB VAL A 106 14.711 9.798 6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.944 10.822 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.659 12.044 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.611 11.924 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.639 8.861 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.296 9.963 8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 106 15.132 8.687 8.215 1.00 0.00 H new ATOM 1712 N ASN A 107 14.370 13.492 7.310 1.00 0.00 N ATOM 1713 CA ASN A 107 14.135 14.791 6.695 1.00 0.00 C ATOM 1714 C ASN A 107 12.640 15.073 6.595 1.00 0.00 C ATOM 1715 O ASN A 107 12.144 15.485 5.547 1.00 0.00 O ATOM 1716 CB ASN A 107 14.756 14.824 5.298 1.00 0.00 C ATOM 1717 CG ASN A 107 16.275 14.745 5.402 1.00 0.00 C ATOM 1718 OD1 ASN A 107 16.839 14.748 6.578 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 16.965 14.679 4.385 1.00 0.00 N flip ATOM 0 H ASN A 107 15.054 13.497 8.066 1.00 0.00 H new ATOM 0 HA ASN A 107 14.597 15.557 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.380 13.991 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.465 15.740 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.521 14.677 3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.981 14.626 4.460 1.00 0.00 H new ATOM 1726 N ASP A 108 11.925 14.846 7.693 1.00 0.00 N ATOM 1727 CA ASP A 108 10.487 15.080 7.714 1.00 0.00 C ATOM 1728 C ASP A 108 9.818 14.413 6.515 1.00 0.00 C ATOM 1729 O ASP A 108 8.795 14.890 6.024 1.00 0.00 O ATOM 1730 CB ASP A 108 10.202 16.582 7.692 1.00 0.00 C ATOM 1731 CG ASP A 108 11.342 17.340 8.365 1.00 0.00 C ATOM 1732 OD1 ASP A 108 11.145 17.799 9.478 1.00 0.00 O ATOM 1733 OD2 ASP A 108 12.393 17.451 7.757 1.00 0.00 O ATOM 0 H ASP A 108 12.314 14.504 8.571 1.00 0.00 H new ATOM 0 HA ASP A 108 10.080 14.648 8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.085 16.923 6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.263 16.790 8.205 1.00 0.00 H new ATOM 1738 N THR A 109 10.407 13.311 6.049 1.00 0.00 N ATOM 1739 CA THR A 109 9.861 12.583 4.907 1.00 0.00 C ATOM 1740 C THR A 109 9.683 11.108 5.240 1.00 0.00 C ATOM 1741 O THR A 109 10.581 10.472 5.796 1.00 0.00 O ATOM 1742 CB THR A 109 10.795 12.708 3.699 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.323 14.027 3.647 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.006 12.420 2.419 1.00 0.00 C ATOM 0 H THR A 109 11.256 12.906 6.443 1.00 0.00 H new ATOM 0 HA THR A 109 8.890 13.018 4.669 1.00 0.00 H new ATOM 0 HB THR A 109 11.613 11.994 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.968 14.150 4.374 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.667 12.508 1.557 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.598 11.410 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.190 13.137 2.325 1.00 0.00 H new ATOM 1752 N LEU A 110 8.521 10.567 4.883 1.00 0.00 N ATOM 1753 CA LEU A 110 8.241 9.163 5.133 1.00 0.00 C ATOM 1754 C LEU A 110 9.062 8.301 4.182 1.00 0.00 C ATOM 1755 O LEU A 110 8.810 8.275 2.970 1.00 0.00 O ATOM 1756 CB LEU A 110 6.748 8.884 4.944 1.00 0.00 C ATOM 1757 CG LEU A 110 6.300 7.817 5.945 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.814 7.519 5.740 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.110 6.536 5.726 1.00 0.00 C ATOM 0 H LEU A 110 7.767 11.077 4.424 1.00 0.00 H new ATOM 0 HA LEU A 110 8.513 8.920 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.174 9.799 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.556 8.547 3.926 1.00 0.00 H new ATOM 0 HG LEU A 110 6.463 8.181 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.494 6.759 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.235 8.430 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.652 7.156 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.790 5.777 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.948 6.172 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.170 6.746 5.871 1.00 0.00 H new ATOM 1771 N LEU A 111 10.058 7.615 4.741 1.00 0.00 N ATOM 1772 CA LEU A 111 10.936 6.770 3.954 1.00 0.00 C ATOM 1773 C LEU A 111 10.841 5.316 4.426 1.00 0.00 C ATOM 1774 O LEU A 111 11.128 5.000 5.581 1.00 0.00 O ATOM 1775 CB LEU A 111 12.370 7.276 4.085 1.00 0.00 C ATOM 1776 CG LEU A 111 12.602 8.362 3.035 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.647 9.354 3.516 1.00 0.00 C ATOM 1778 CD2 LEU A 111 13.075 7.712 1.745 1.00 0.00 C ATOM 0 H LEU A 111 10.272 7.632 5.738 1.00 0.00 H new ATOM 0 HA LEU A 111 10.632 6.809 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.541 7.674 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.075 6.457 3.944 1.00 0.00 H new ATOM 0 HG LEU A 111 11.668 8.897 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.799 10.120 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.306 9.822 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.587 8.833 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.243 8.481 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.005 7.174 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.317 7.014 1.390 1.00 0.00 H new ATOM 1790 N VAL A 112 10.431 4.440 3.526 1.00 0.00 N ATOM 1791 CA VAL A 112 10.288 3.014 3.847 1.00 0.00 C ATOM 1792 C VAL A 112 11.173 2.173 2.929 1.00 0.00 C ATOM 1793 O VAL A 112 11.385 2.529 1.775 1.00 0.00 O ATOM 1794 CB VAL A 112 8.815 2.576 3.728 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.055 3.440 2.717 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.727 1.109 3.299 1.00 0.00 C ATOM 0 H VAL A 112 10.189 4.682 2.565 1.00 0.00 H new ATOM 0 HA VAL A 112 10.608 2.858 4.877 1.00 0.00 H new ATOM 0 HB VAL A 112 8.358 2.701 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.020 3.105 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.081 4.482 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.523 3.349 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.680 0.815 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.214 0.983 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.224 0.483 4.040 1.00 0.00 H new ATOM 1806 N ASN A 113 11.679 1.055 3.442 1.00 0.00 N ATOM 1807 CA ASN A 113 12.529 0.172 2.643 1.00 0.00 C ATOM 1808 C ASN A 113 13.414 0.972 1.685 1.00 0.00 C ATOM 1809 O ASN A 113 13.575 0.605 0.522 1.00 0.00 O ATOM 1810 CB ASN A 113 11.653 -0.796 1.839 1.00 0.00 C ATOM 1811 CG ASN A 113 11.118 -1.894 2.751 1.00 0.00 C ATOM 1812 OD1 ASN A 113 10.743 -1.626 3.891 1.00 0.00 O ATOM 1813 ND2 ASN A 113 11.065 -3.122 2.313 1.00 0.00 N ATOM 0 H ASN A 113 11.518 0.739 4.399 1.00 0.00 H new ATOM 0 HA ASN A 113 13.174 -0.385 3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.824 -0.255 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.233 -1.236 1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.711 -3.864 2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.377 -3.340 1.367 1.00 0.00 H new ATOM 1820 N GLU A 114 13.973 2.074 2.177 1.00 0.00 N ATOM 1821 CA GLU A 114 14.830 2.920 1.350 1.00 0.00 C ATOM 1822 C GLU A 114 14.092 3.374 0.089 1.00 0.00 C ATOM 1823 O GLU A 114 14.522 3.088 -1.029 1.00 0.00 O ATOM 1824 CB GLU A 114 16.099 2.162 0.951 1.00 0.00 C ATOM 1825 CG GLU A 114 16.939 1.871 2.194 1.00 0.00 C ATOM 1826 CD GLU A 114 18.266 2.618 2.112 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.928 2.498 1.094 1.00 0.00 O ATOM 1828 OE2 GLU A 114 18.601 3.298 3.068 1.00 0.00 O ATOM 0 H GLU A 114 13.850 2.401 3.135 1.00 0.00 H new ATOM 0 HA GLU A 114 15.101 3.798 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.835 1.229 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.677 2.751 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.396 2.174 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.120 0.799 2.278 1.00 0.00 H new ATOM 1835 N LEU A 115 12.984 4.087 0.281 1.00 0.00 N ATOM 1836 CA LEU A 115 12.193 4.586 -0.840 1.00 0.00 C ATOM 1837 C LEU A 115 11.361 5.794 -0.402 1.00 0.00 C ATOM 1838 O LEU A 115 10.727 5.783 0.654 1.00 0.00 O ATOM 1839 CB LEU A 115 11.294 3.462 -1.382 1.00 0.00 C ATOM 1840 CG LEU A 115 9.934 3.467 -0.660 1.00 0.00 C ATOM 1841 CD1 LEU A 115 8.998 4.518 -1.277 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.265 2.093 -0.762 1.00 0.00 C ATOM 0 H LEU A 115 12.615 4.331 1.200 1.00 0.00 H new ATOM 0 HA LEU A 115 12.861 4.909 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.144 3.592 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.783 2.498 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 115 10.116 3.709 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.042 4.506 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.450 5.506 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.837 4.289 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.305 2.116 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.107 1.842 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.906 1.341 -0.302 1.00 0.00 H new ATOM 1854 N LYS A 116 11.371 6.843 -1.204 1.00 0.00 N ATOM 1855 CA LYS A 116 10.614 8.039 -0.860 1.00 0.00 C ATOM 1856 C LYS A 116 9.161 7.894 -1.307 1.00 0.00 C ATOM 1857 O LYS A 116 8.884 7.741 -2.498 1.00 0.00 O ATOM 1858 CB LYS A 116 11.237 9.262 -1.535 1.00 0.00 C ATOM 1859 CG LYS A 116 10.546 10.538 -1.033 1.00 0.00 C ATOM 1860 CD LYS A 116 11.544 11.696 -1.013 1.00 0.00 C ATOM 1861 CE LYS A 116 12.610 11.466 0.063 1.00 0.00 C ATOM 1862 NZ LYS A 116 12.741 12.696 0.893 1.00 0.00 N ATOM 0 H LYS A 116 11.884 6.895 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 116 10.641 8.169 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.304 9.305 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.135 9.183 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.703 10.784 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.144 10.375 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.019 11.792 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.020 12.632 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.334 10.618 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.566 11.222 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.682 13.114 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.011 13.382 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.621 12.452 1.897 1.00 0.00 H new ATOM 1876 N SER A 117 8.232 7.937 -0.354 1.00 0.00 N ATOM 1877 CA SER A 117 6.814 7.800 -0.693 1.00 0.00 C ATOM 1878 C SER A 117 6.346 8.973 -1.555 1.00 0.00 C ATOM 1879 O SER A 117 6.965 10.035 -1.562 1.00 0.00 O ATOM 1880 CB SER A 117 5.970 7.729 0.581 1.00 0.00 C ATOM 1881 OG SER A 117 6.592 6.849 1.507 1.00 0.00 O ATOM 0 H SER A 117 8.427 8.063 0.639 1.00 0.00 H new ATOM 0 HA SER A 117 6.689 6.878 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.867 8.722 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.965 7.378 0.346 1.00 0.00 H new ATOM 0 HG SER A 117 6.008 6.079 1.669 1.00 0.00 H new ATOM 1887 N LYS A 118 5.245 8.770 -2.281 1.00 0.00 N ATOM 1888 CA LYS A 118 4.704 9.818 -3.141 1.00 0.00 C ATOM 1889 C LYS A 118 3.673 10.644 -2.383 1.00 0.00 C ATOM 1890 O LYS A 118 3.721 11.875 -2.395 1.00 0.00 O ATOM 1891 CB LYS A 118 4.043 9.205 -4.381 1.00 0.00 C ATOM 1892 CG LYS A 118 5.098 8.941 -5.458 1.00 0.00 C ATOM 1893 CD LYS A 118 5.369 10.226 -6.253 1.00 0.00 C ATOM 1894 CE LYS A 118 6.861 10.320 -6.582 1.00 0.00 C ATOM 1895 NZ LYS A 118 7.061 11.235 -7.742 1.00 0.00 N ATOM 0 H LYS A 118 4.717 7.898 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 118 5.528 10.461 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.543 8.274 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.278 9.879 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.020 8.588 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.755 8.154 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.783 10.228 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.058 11.096 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.412 10.688 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.256 9.331 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.075 11.298 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.548 10.866 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.700 12.181 -7.504 1.00 0.00 H new ATOM 1909 N GLU A 119 2.741 9.961 -1.723 1.00 0.00 N ATOM 1910 CA GLU A 119 1.705 10.654 -0.962 1.00 0.00 C ATOM 1911 C GLU A 119 1.127 9.730 0.104 1.00 0.00 C ATOM 1912 O GLU A 119 0.619 8.655 -0.202 1.00 0.00 O ATOM 1913 CB GLU A 119 0.592 11.127 -1.902 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.284 12.161 -1.188 1.00 0.00 C ATOM 1915 CD GLU A 119 -0.049 13.545 -1.780 1.00 0.00 C ATOM 1916 OE1 GLU A 119 0.239 14.453 -1.015 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -0.164 13.681 -2.986 1.00 0.00 O ATOM 0 H GLU A 119 2.681 8.943 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 119 2.150 11.521 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.025 11.563 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.015 10.279 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.335 11.889 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.055 12.169 -0.122 1.00 0.00 H new ATOM 1924 N SER A 120 1.213 10.151 1.357 1.00 0.00 N ATOM 1925 CA SER A 120 0.705 9.341 2.454 1.00 0.00 C ATOM 1926 C SER A 120 0.241 10.217 3.605 1.00 0.00 C ATOM 1927 O SER A 120 0.420 11.435 3.583 1.00 0.00 O ATOM 1928 CB SER A 120 1.802 8.396 2.948 1.00 0.00 C ATOM 1929 OG SER A 120 2.833 9.157 3.565 1.00 0.00 O ATOM 0 H SER A 120 1.626 11.040 1.638 1.00 0.00 H new ATOM 0 HA SER A 120 -0.145 8.765 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.389 7.679 3.658 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.207 7.822 2.114 1.00 0.00 H new ATOM 0 HG SER A 120 3.691 8.696 3.454 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.356 9.585 4.611 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.847 10.319 5.775 1.00 0.00 C ATOM 1937 C ASP A 121 -2.190 10.959 5.458 1.00 0.00 C ATOM 1938 O ASP A 121 -2.646 11.858 6.164 1.00 0.00 O ATOM 1939 CB ASP A 121 0.159 11.404 6.179 1.00 0.00 C ATOM 1940 CG ASP A 121 0.141 11.599 7.690 1.00 0.00 C ATOM 1941 OD1 ASP A 121 0.860 10.884 8.367 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.590 12.463 8.148 1.00 0.00 O ATOM 0 H ASP A 121 -0.511 8.577 4.646 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.969 9.620 6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.160 11.122 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.086 12.342 5.681 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.814 10.489 4.387 1.00 0.00 N ATOM 1948 CA ILE A 122 -4.104 11.022 3.973 1.00 0.00 C ATOM 1949 C ILE A 122 -5.125 10.813 5.085 1.00 0.00 C ATOM 1950 O ILE A 122 -4.761 10.767 6.257 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.584 10.321 2.698 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.384 9.962 1.802 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.542 11.238 1.928 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.515 11.199 1.546 1.00 0.00 C ATOM 0 H ILE A 122 -2.451 9.744 3.792 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.996 12.088 3.771 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.105 9.405 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.788 9.184 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.739 9.557 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.880 10.734 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.402 11.474 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.026 12.160 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.672 10.926 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.110 11.965 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.144 11.586 2.495 1.00 0.00 H new ATOM 1966 N MET A 123 -6.396 10.685 4.714 1.00 0.00 N ATOM 1967 CA MET A 123 -7.455 10.475 5.695 1.00 0.00 C ATOM 1968 C MET A 123 -8.650 9.765 5.070 1.00 0.00 C ATOM 1969 O MET A 123 -9.340 10.325 4.221 1.00 0.00 O ATOM 1970 CB MET A 123 -7.921 11.822 6.258 1.00 0.00 C ATOM 1971 CG MET A 123 -7.267 12.110 7.616 1.00 0.00 C ATOM 1972 SD MET A 123 -8.420 11.683 8.946 1.00 0.00 S ATOM 1973 CE MET A 123 -8.237 9.881 8.862 1.00 0.00 C ATOM 0 H MET A 123 -6.716 10.723 3.746 1.00 0.00 H new ATOM 0 HA MET A 123 -7.051 9.853 6.494 1.00 0.00 H new ATOM 0 HB2 MET A 123 -7.674 12.618 5.556 1.00 0.00 H new ATOM 0 HB3 MET A 123 -9.006 11.818 6.367 1.00 0.00 H new ATOM 0 HG2 MET A 123 -6.348 11.533 7.718 1.00 0.00 H new ATOM 0 HG3 MET A 123 -6.992 13.163 7.683 1.00 0.00 H new ATOM 0 HE1 MET A 123 -8.604 9.435 9.786 1.00 0.00 H new ATOM 0 HE2 MET A 123 -8.811 9.496 8.019 1.00 0.00 H new ATOM 0 HE3 MET A 123 -7.185 9.628 8.730 1.00 0.00 H new ATOM 1983 N THR A 124 -8.898 8.536 5.515 1.00 0.00 N ATOM 1984 CA THR A 124 -10.029 7.763 5.006 1.00 0.00 C ATOM 1985 C THR A 124 -10.884 7.255 6.160 1.00 0.00 C ATOM 1986 O THR A 124 -10.457 7.276 7.316 1.00 0.00 O ATOM 1987 CB THR A 124 -9.536 6.580 4.173 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.714 5.750 4.981 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.729 7.095 2.982 1.00 0.00 C ATOM 0 H THR A 124 -8.338 8.057 6.220 1.00 0.00 H new ATOM 0 HA THR A 124 -10.632 8.415 4.374 1.00 0.00 H new ATOM 0 HB THR A 124 -10.389 6.007 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.397 4.989 4.451 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.378 6.251 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 124 -9.359 7.735 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.873 7.667 3.342 1.00 0.00 H new ATOM 1997 N THR A 125 -12.092 6.803 5.843 1.00 0.00 N ATOM 1998 CA THR A 125 -12.994 6.298 6.873 1.00 0.00 C ATOM 1999 C THR A 125 -12.537 4.925 7.355 1.00 0.00 C ATOM 2000 O THR A 125 -13.056 4.397 8.338 1.00 0.00 O ATOM 2001 CB THR A 125 -14.422 6.201 6.326 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.460 5.244 5.283 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.866 7.562 5.788 1.00 0.00 C ATOM 0 H THR A 125 -12.466 6.775 4.895 1.00 0.00 H new ATOM 0 HA THR A 125 -12.978 6.992 7.713 1.00 0.00 H new ATOM 0 HB THR A 125 -15.096 5.897 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 125 -13.640 4.708 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.882 7.486 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.838 8.298 6.592 1.00 0.00 H new ATOM 0 HG23 THR A 125 -14.195 7.873 4.988 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.560 4.355 6.655 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.033 3.045 7.020 1.00 0.00 C ATOM 2013 C ASN A 126 -9.675 3.184 7.689 1.00 0.00 C ATOM 2014 O ASN A 126 -9.075 2.201 8.128 1.00 0.00 O ATOM 2015 CB ASN A 126 -10.900 2.173 5.776 1.00 0.00 C ATOM 2016 CG ASN A 126 -12.189 2.220 4.968 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -13.067 3.033 5.248 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -12.356 1.389 3.975 1.00 0.00 N ATOM 0 H ASN A 126 -11.120 4.777 5.837 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.726 2.578 7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.066 2.520 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.679 1.145 6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.217 1.413 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.625 0.715 3.745 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.197 4.414 7.770 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.914 4.676 8.400 1.00 0.00 C ATOM 2027 C GLY A 127 -7.117 5.709 7.616 1.00 0.00 C ATOM 2028 O GLY A 127 -7.557 6.847 7.446 1.00 0.00 O ATOM 0 H GLY A 127 -9.673 5.241 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -8.072 5.031 9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.344 3.749 8.470 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.940 5.307 7.141 1.00 0.00 N ATOM 2033 CA VAL A 128 -5.091 6.213 6.377 1.00 0.00 C ATOM 2034 C VAL A 128 -4.578 5.531 5.115 1.00 0.00 C ATOM 2035 O VAL A 128 -4.653 4.308 4.987 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.917 6.682 7.245 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.638 5.914 6.904 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.690 8.171 7.010 1.00 0.00 C ATOM 0 H VAL A 128 -5.557 4.370 7.270 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.681 7.080 6.080 1.00 0.00 H new ATOM 0 HB VAL A 128 -4.160 6.494 8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.822 6.267 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.796 4.849 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.384 6.077 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.857 8.513 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.461 8.343 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.590 8.723 7.280 1.00 0.00 H new ATOM 2048 N ILE A 129 -4.050 6.332 4.192 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.520 5.802 2.939 1.00 0.00 C ATOM 2050 C ILE A 129 -2.035 6.128 2.777 1.00 0.00 C ATOM 2051 O ILE A 129 -1.541 7.153 3.270 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.300 6.393 1.755 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.618 5.634 1.580 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.479 6.274 0.465 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.519 6.384 0.595 1.00 0.00 C ATOM 0 H ILE A 129 -3.978 7.345 4.288 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.633 4.718 2.960 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.500 7.445 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.422 4.626 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.120 5.532 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.044 6.697 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.541 6.817 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.268 5.224 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.456 5.841 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.726 7.383 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.017 6.463 -0.369 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.338 5.260 2.049 1.00 0.00 N ATOM 2068 CA HIS A 130 0.075 5.460 1.778 1.00 0.00 C ATOM 2069 C HIS A 130 0.353 5.120 0.323 1.00 0.00 C ATOM 2070 O HIS A 130 0.250 3.968 -0.091 1.00 0.00 O ATOM 2071 CB HIS A 130 0.923 4.590 2.704 1.00 0.00 C ATOM 2072 CG HIS A 130 2.393 4.916 2.561 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.283 4.678 3.592 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.153 5.428 1.529 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.504 5.033 3.166 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.484 5.497 1.920 1.00 0.00 N ATOM 0 H HIS A 130 -1.732 4.413 1.638 1.00 0.00 H new ATOM 0 HA HIS A 130 0.338 6.502 1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.612 4.743 3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.756 3.538 2.473 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.052 4.300 4.511 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.771 5.729 0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.399 4.952 3.765 1.00 0.00 H new ATOM 2085 N VAL A 131 0.708 6.139 -0.446 1.00 0.00 N ATOM 2086 CA VAL A 131 1.003 5.955 -1.857 1.00 0.00 C ATOM 2087 C VAL A 131 2.505 5.921 -2.087 1.00 0.00 C ATOM 2088 O VAL A 131 3.200 6.908 -1.828 1.00 0.00 O ATOM 2089 CB VAL A 131 0.396 7.094 -2.674 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.559 6.800 -4.166 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.093 7.239 -2.340 1.00 0.00 C ATOM 0 H VAL A 131 0.798 7.100 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 131 0.570 5.006 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 131 0.911 8.023 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.125 7.614 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.618 6.708 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.050 5.868 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.520 8.053 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.611 6.310 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.208 7.457 -1.278 1.00 0.00 H new ATOM 2101 N VAL A 132 2.999 4.789 -2.589 1.00 0.00 N ATOM 2102 CA VAL A 132 4.430 4.651 -2.863 1.00 0.00 C ATOM 2103 C VAL A 132 4.685 4.646 -4.370 1.00 0.00 C ATOM 2104 O VAL A 132 3.745 4.691 -5.163 1.00 0.00 O ATOM 2105 CB VAL A 132 4.975 3.363 -2.240 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.711 3.357 -0.734 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.290 2.162 -2.882 1.00 0.00 C ATOM 0 H VAL A 132 2.440 3.966 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 132 4.946 5.502 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 132 6.050 3.309 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.102 2.437 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.204 4.214 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.638 3.416 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.676 1.244 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.215 2.222 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.488 2.160 -3.954 1.00 0.00 H new ATOM 2117 N ASP A 133 5.962 4.603 -4.755 1.00 0.00 N ATOM 2118 CA ASP A 133 6.327 4.607 -6.174 1.00 0.00 C ATOM 2119 C ASP A 133 7.120 3.359 -6.551 1.00 0.00 C ATOM 2120 O ASP A 133 7.940 3.393 -7.468 1.00 0.00 O ATOM 2121 CB ASP A 133 7.161 5.848 -6.492 1.00 0.00 C ATOM 2122 CG ASP A 133 8.400 5.884 -5.603 1.00 0.00 C ATOM 2123 OD1 ASP A 133 8.318 6.454 -4.529 1.00 0.00 O ATOM 2124 OD2 ASP A 133 9.413 5.339 -6.012 1.00 0.00 O ATOM 0 H ASP A 133 6.753 4.565 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 133 5.404 4.617 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.456 5.839 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.565 6.747 -6.336 1.00 0.00 H new ATOM 2129 N LYS A 134 6.865 2.256 -5.857 1.00 0.00 N ATOM 2130 CA LYS A 134 7.557 1.006 -6.154 1.00 0.00 C ATOM 2131 C LYS A 134 6.936 -0.146 -5.367 1.00 0.00 C ATOM 2132 O LYS A 134 6.184 0.074 -4.418 1.00 0.00 O ATOM 2133 CB LYS A 134 9.051 1.124 -5.827 1.00 0.00 C ATOM 2134 CG LYS A 134 9.226 1.577 -4.379 1.00 0.00 C ATOM 2135 CD LYS A 134 10.372 0.794 -3.718 1.00 0.00 C ATOM 2136 CE LYS A 134 9.898 -0.594 -3.270 1.00 0.00 C ATOM 2137 NZ LYS A 134 10.752 -1.636 -3.903 1.00 0.00 N ATOM 0 H LYS A 134 6.192 2.200 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 134 7.451 0.801 -7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.544 0.164 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.526 1.837 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.439 2.646 -4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.300 1.419 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.200 0.691 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.749 1.349 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 134 9.950 -0.675 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 134 8.855 -0.743 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.165 -2.453 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.203 -1.245 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.485 -1.939 -3.231 1.00 0.00 H new ATOM 2151 N LEU A 135 7.262 -1.371 -5.764 1.00 0.00 N ATOM 2152 CA LEU A 135 6.733 -2.550 -5.082 1.00 0.00 C ATOM 2153 C LEU A 135 7.680 -2.981 -3.975 1.00 0.00 C ATOM 2154 O LEU A 135 8.868 -3.201 -4.210 1.00 0.00 O ATOM 2155 CB LEU A 135 6.542 -3.696 -6.082 1.00 0.00 C ATOM 2156 CG LEU A 135 5.207 -4.397 -5.822 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.065 -3.530 -6.343 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.182 -5.744 -6.550 1.00 0.00 C ATOM 0 H LEU A 135 7.884 -1.575 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 135 5.767 -2.298 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.567 -3.309 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.361 -4.410 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 135 5.090 -4.556 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.115 -4.030 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.075 -2.568 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.188 -3.371 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.230 -6.241 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.302 -5.581 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.996 -6.370 -6.185 1.00 0.00 H new ATOM 2170 N LEU A 136 7.150 -3.084 -2.763 1.00 0.00 N ATOM 2171 CA LEU A 136 7.965 -3.474 -1.619 1.00 0.00 C ATOM 2172 C LEU A 136 8.682 -4.785 -1.900 1.00 0.00 C ATOM 2173 O LEU A 136 8.202 -5.858 -1.535 1.00 0.00 O ATOM 2174 CB LEU A 136 7.091 -3.625 -0.372 1.00 0.00 C ATOM 2175 CG LEU A 136 6.927 -2.266 0.326 1.00 0.00 C ATOM 2176 CD1 LEU A 136 8.263 -1.807 0.923 1.00 0.00 C ATOM 2177 CD2 LEU A 136 6.441 -1.225 -0.686 1.00 0.00 C ATOM 0 H LEU A 136 6.169 -2.905 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 136 8.706 -2.694 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.114 -4.020 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.543 -4.342 0.313 1.00 0.00 H new ATOM 0 HG LEU A 136 6.197 -2.371 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.130 -0.843 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.607 -2.541 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 136 9.003 -1.711 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.325 -0.262 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.170 -1.133 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.482 -1.538 -1.098 1.00 0.00 H new