USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 994 hydrogens (97 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 NoAdj-H: A 65 ASNHD21 : A 65 ASN ND2 : A 106 NAG C1 :(H bumps) USER MOD Set 1.1: A 108 BMA O2 : rot -23:sc= 0.037 USER MOD Set 1.2: A 109 MAN O6 : rot 180:sc= 0 USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0.305 USER MOD Set 2.2: A 81 TYR OH : rot -147:sc= -1.51! USER MOD Set 3.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 169:sc= 0 (180deg=-0.117) USER MOD Single : A 1 LYS NZ :NH3+ 127:sc= -0.28 (180deg=-1.62!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc=-4.05e-05 K(o=-4e-05,f=-0.53) USER MOD Single : A 9 THR OG1 : rot 48:sc= 0.762 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 18 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -150:sc= -0.25 (180deg=-1.21) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= -1.13 (180deg=-1.63) USER MOD Single : A 38 THR OG1 : rot 28:sc= -5.28! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.268 (180deg=-1.17!) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.379 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -79:sc= 0.257 USER MOD Single : A 61 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 67 THR OG1 : rot 96:sc= 0.0368 USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0885) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.845 X(o=-0.85,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 1.17 F(o=-0.096,f=1.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.4) USER MOD Single : A 96 LYS NZ :NH3+ -104:sc=-0.00502 (180deg=-0.987) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot -16:sc= 0.423 USER MOD Single : A 107 NAG O3 : rot 180:sc= 0 USER MOD Single : A 107 NAG O6 : rot 180:sc= -0.034 USER MOD Single : A 108 BMA O4 : rot 170:sc= 0 USER MOD Single : A 109 MAN O3 : rot 180:sc= 0 USER MOD Single : A 109 MAN O4 : rot 180:sc= 0 USER MOD Single : A 110 MAN O2 : rot 158:sc= 0.037 USER MOD Single : A 110 MAN O3 : rot 180:sc= 0.0378 USER MOD Single : A 110 MAN O4 : rot 180:sc= 0 USER MOD Single : A 110 MAN O6 : rot -21:sc= 0.115 USER MOD Single : A 111 MAN O2 : rot 157:sc= 0.036 USER MOD Single : A 111 MAN O4 : rot 170:sc= 0 USER MOD Single : A 112 MAN O2 : rot 144:sc= -2.39! USER MOD Single : A 112 MAN O3 : rot 180:sc= 0.0311 USER MOD Single : A 112 MAN O4 : rot 180:sc= 0 USER MOD Single : A 112 MAN O6 : rot 180:sc= 0 USER MOD Single : A 113 MAN O3 : rot 180:sc= -0.129 USER MOD Single : A 113 MAN O4 : rot -165:sc= 0.936 USER MOD Single : A 113 MAN O6 : rot 180:sc= 0.739 USER MOD Single : A 114 MAN O2 : rot 146:sc= 0.029 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.03 USER MOD Single : A 114 MAN O4 : rot 180:sc= 0 USER MOD Single : A 114 MAN O6 : rot 180:sc= -0.0348 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 17.256 -1.667 -17.812 1.00 0.00 N ATOM 2 CA LYS A 1 18.162 -0.522 -17.821 1.00 0.00 C ATOM 3 C LYS A 1 17.396 0.774 -17.703 1.00 0.00 C ATOM 4 O LYS A 1 17.683 1.770 -18.384 1.00 0.00 O ATOM 5 CB LYS A 1 19.014 -0.548 -19.119 1.00 0.00 C ATOM 6 CG LYS A 1 18.214 -0.164 -20.389 1.00 0.00 C ATOM 7 CD LYS A 1 19.065 0.332 -21.562 1.00 0.00 C ATOM 8 CE LYS A 1 18.335 1.485 -22.264 1.00 0.00 C ATOM 9 NZ LYS A 1 18.074 2.562 -21.293 1.00 0.00 N ATOM 0 H1 LYS A 1 17.779 -2.525 -18.079 1.00 0.00 H new ATOM 0 H2 LYS A 1 16.857 -1.787 -16.859 1.00 0.00 H new ATOM 0 H3 LYS A 1 16.486 -1.505 -18.492 1.00 0.00 H new ATOM 0 HA LYS A 1 18.826 -0.588 -16.959 1.00 0.00 H new ATOM 0 HB2 LYS A 1 19.854 0.137 -19.007 1.00 0.00 H new ATOM 0 HB3 LYS A 1 19.432 -1.546 -19.250 1.00 0.00 H new ATOM 0 HG2 LYS A 1 17.641 -1.032 -20.716 1.00 0.00 H new ATOM 0 HG3 LYS A 1 17.495 0.612 -20.127 1.00 0.00 H new ATOM 0 HD2 LYS A 1 20.039 0.667 -21.204 1.00 0.00 H new ATOM 0 HD3 LYS A 1 19.246 -0.481 -22.265 1.00 0.00 H new ATOM 0 HE2 LYS A 1 18.938 1.863 -23.090 1.00 0.00 H new ATOM 0 HE3 LYS A 1 17.397 1.130 -22.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 18.440 3.461 -21.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 17.050 2.645 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 18.548 2.341 -20.394 1.00 0.00 H new ATOM 25 N GLU A 2 16.415 0.790 -16.820 1.00 0.00 N ATOM 26 CA GLU A 2 15.636 1.995 -16.550 1.00 0.00 C ATOM 27 C GLU A 2 15.011 1.938 -15.176 1.00 0.00 C ATOM 28 O GLU A 2 14.975 0.890 -14.516 1.00 0.00 O ATOM 29 CB GLU A 2 14.555 2.141 -17.656 1.00 0.00 C ATOM 30 CG GLU A 2 13.106 1.661 -17.311 1.00 0.00 C ATOM 31 CD GLU A 2 12.160 1.317 -18.465 1.00 0.00 C ATOM 32 OE1 GLU A 2 11.805 2.137 -19.301 1.00 0.00 O ATOM 33 OE2 GLU A 2 11.753 0.018 -18.471 1.00 0.00 O ATOM 0 H GLU A 2 16.133 -0.022 -16.271 1.00 0.00 H new ATOM 0 HA GLU A 2 16.289 2.867 -16.564 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.503 3.192 -17.941 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.893 1.589 -18.533 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.191 0.779 -16.676 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.632 2.439 -16.713 1.00 0.00 H new ATOM 40 N ILE A 3 14.493 3.067 -14.728 1.00 0.00 N ATOM 41 CA ILE A 3 13.959 3.193 -13.375 1.00 0.00 C ATOM 42 C ILE A 3 12.461 3.381 -13.401 1.00 0.00 C ATOM 43 O ILE A 3 11.853 3.654 -14.447 1.00 0.00 O ATOM 44 CB ILE A 3 14.690 4.347 -12.575 1.00 0.00 C ATOM 45 CG1 ILE A 3 16.156 4.630 -13.035 1.00 0.00 C ATOM 46 CG2 ILE A 3 14.704 4.100 -11.034 1.00 0.00 C ATOM 47 CD1 ILE A 3 17.072 5.303 -11.992 1.00 0.00 C ATOM 0 H ILE A 3 14.428 3.920 -15.284 1.00 0.00 H new ATOM 0 HA ILE A 3 14.159 2.263 -12.843 1.00 0.00 H new ATOM 0 HB ILE A 3 14.087 5.224 -12.808 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.611 3.686 -13.334 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.122 5.262 -13.922 1.00 0.00 H new ATOM 0 HG21 ILE A 3 15.218 4.923 -10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 3 13.680 4.038 -10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 3 15.224 3.166 -10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.064 5.451 -12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 3 16.652 6.268 -11.708 1.00 0.00 H new ATOM 0 HD13 ILE A 3 17.149 4.667 -11.110 1.00 0.00 H new ATOM 59 N THR A 4 11.839 3.259 -12.243 1.00 0.00 N ATOM 60 CA THR A 4 10.383 3.278 -12.139 1.00 0.00 C ATOM 61 C THR A 4 9.931 4.043 -10.914 1.00 0.00 C ATOM 62 O THR A 4 10.724 4.504 -10.082 1.00 0.00 O ATOM 63 CB THR A 4 9.818 1.817 -12.119 1.00 0.00 C ATOM 64 OG1 THR A 4 10.421 1.063 -11.075 1.00 0.00 O ATOM 65 CG2 THR A 4 10.054 0.974 -13.391 1.00 0.00 C ATOM 0 H THR A 4 12.320 3.144 -11.351 1.00 0.00 H new ATOM 0 HA THR A 4 9.988 3.792 -13.016 1.00 0.00 H new ATOM 0 HB THR A 4 8.747 1.981 -12.002 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.056 0.154 -11.075 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.618 -0.016 -13.257 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.586 1.464 -14.244 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.125 0.878 -13.570 1.00 0.00 H new ATOM 73 N ASN A 5 8.619 4.174 -10.789 1.00 0.00 N ATOM 74 CA ASN A 5 8.001 4.821 -9.636 1.00 0.00 C ATOM 75 C ASN A 5 6.887 3.959 -9.078 1.00 0.00 C ATOM 76 O ASN A 5 5.785 4.413 -8.744 1.00 0.00 O ATOM 77 CB ASN A 5 7.472 6.226 -10.042 1.00 0.00 C ATOM 78 CG ASN A 5 8.412 7.417 -9.827 1.00 0.00 C ATOM 79 OD1 ASN A 5 9.220 7.455 -8.911 1.00 0.00 O ATOM 80 ND2 ASN A 5 8.342 8.429 -10.650 1.00 0.00 N ATOM 0 H ASN A 5 7.951 3.836 -11.482 1.00 0.00 H new ATOM 0 HA ASN A 5 8.749 4.946 -8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.204 6.194 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.554 6.415 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.956 9.234 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.674 8.415 -11.420 1.00 0.00 H new ATOM 87 N ALA A 6 7.185 2.673 -8.965 1.00 0.00 N ATOM 88 CA ALA A 6 6.267 1.701 -8.381 1.00 0.00 C ATOM 89 C ALA A 6 6.859 1.077 -7.138 1.00 0.00 C ATOM 90 O ALA A 6 8.033 1.275 -6.793 1.00 0.00 O ATOM 91 CB ALA A 6 5.932 0.666 -9.469 1.00 0.00 C ATOM 0 H ALA A 6 8.070 2.272 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 6 5.345 2.182 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.246 -0.078 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.465 1.167 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.848 0.174 -9.797 1.00 0.00 H new ATOM 97 N LEU A 7 6.040 0.308 -6.443 1.00 0.00 N ATOM 98 CA LEU A 7 6.405 -0.254 -5.147 1.00 0.00 C ATOM 99 C LEU A 7 6.260 -1.758 -5.138 1.00 0.00 C ATOM 100 O LEU A 7 5.153 -2.314 -5.121 1.00 0.00 O ATOM 101 CB LEU A 7 5.552 0.398 -4.019 1.00 0.00 C ATOM 102 CG LEU A 7 5.655 1.938 -3.839 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.488 2.535 -3.036 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.985 2.305 -3.166 1.00 0.00 C ATOM 0 H LEU A 7 5.104 0.053 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 7 7.455 -0.029 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.506 0.150 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.830 -0.070 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 7 5.607 2.368 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.621 3.613 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.549 2.327 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.465 2.089 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.045 3.387 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.042 1.827 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.813 1.962 -3.786 1.00 0.00 H new ATOM 116 N GLU A 8 7.390 -2.444 -5.127 1.00 0.00 N ATOM 117 CA GLU A 8 7.415 -3.900 -5.221 1.00 0.00 C ATOM 118 C GLU A 8 6.593 -4.529 -4.119 1.00 0.00 C ATOM 119 O GLU A 8 6.985 -4.554 -2.943 1.00 0.00 O ATOM 120 CB GLU A 8 8.894 -4.374 -5.160 1.00 0.00 C ATOM 121 CG GLU A 8 9.883 -3.779 -6.215 1.00 0.00 C ATOM 122 CD GLU A 8 10.144 -4.571 -7.499 1.00 0.00 C ATOM 123 OE1 GLU A 8 10.083 -5.921 -7.333 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.385 -4.036 -8.574 1.00 0.00 O ATOM 0 H GLU A 8 8.312 -2.014 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 8 6.972 -4.214 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.281 -4.144 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.905 -5.459 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.510 -2.796 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.842 -3.624 -5.720 1.00 0.00 H new ATOM 131 N THR A 9 5.446 -5.068 -4.487 1.00 0.00 N ATOM 132 CA THR A 9 4.580 -5.777 -3.547 1.00 0.00 C ATOM 133 C THR A 9 4.526 -7.251 -3.877 1.00 0.00 C ATOM 134 O THR A 9 4.407 -7.652 -5.044 1.00 0.00 O ATOM 135 CB THR A 9 3.148 -5.142 -3.542 1.00 0.00 C ATOM 136 OG1 THR A 9 2.873 -4.524 -4.793 1.00 0.00 O ATOM 137 CG2 THR A 9 2.898 -4.031 -2.499 1.00 0.00 C ATOM 0 H THR A 9 5.084 -5.030 -5.440 1.00 0.00 H new ATOM 0 HA THR A 9 4.997 -5.678 -2.545 1.00 0.00 H new ATOM 0 HB THR A 9 2.511 -5.995 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.111 -5.137 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.874 -3.669 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.052 -4.431 -1.497 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.591 -3.207 -2.671 1.00 0.00 H new ATOM 145 N TRP A 10 4.588 -8.085 -2.856 1.00 0.00 N ATOM 146 CA TRP A 10 4.694 -9.534 -3.024 1.00 0.00 C ATOM 147 C TRP A 10 3.782 -10.265 -2.069 1.00 0.00 C ATOM 148 O TRP A 10 3.586 -9.850 -0.912 1.00 0.00 O ATOM 149 CB TRP A 10 6.166 -9.964 -2.764 1.00 0.00 C ATOM 150 CG TRP A 10 7.164 -9.522 -3.838 1.00 0.00 C ATOM 151 CD1 TRP A 10 7.934 -8.341 -3.812 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.428 -10.119 -5.053 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.677 -8.180 -4.998 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.346 -9.295 -5.751 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.949 -11.321 -5.635 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.783 -9.664 -7.042 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.319 -11.611 -6.949 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.226 -10.797 -7.642 1.00 0.00 C ATOM 0 H TRP A 10 4.567 -7.783 -1.882 1.00 0.00 H new ATOM 0 HA TRP A 10 4.394 -9.790 -4.040 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.484 -9.558 -1.804 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.203 -11.050 -2.679 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.952 -7.646 -2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.311 -7.420 -5.245 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.315 -11.993 -5.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.533 -9.082 -7.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.900 -12.477 -7.440 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.499 -11.049 -8.656 1.00 0.00 H new ATOM 169 N GLY A 11 3.184 -11.356 -2.517 1.00 0.00 N ATOM 170 CA GLY A 11 2.393 -12.214 -1.638 1.00 0.00 C ATOM 171 C GLY A 11 2.213 -13.596 -2.218 1.00 0.00 C ATOM 172 O GLY A 11 1.837 -13.764 -3.391 1.00 0.00 O ATOM 0 H GLY A 11 3.229 -11.673 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.882 -12.288 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.416 -11.760 -1.470 1.00 0.00 H new ATOM 176 N ALA A 12 2.450 -14.619 -1.417 1.00 0.00 N ATOM 177 CA ALA A 12 2.167 -15.995 -1.826 1.00 0.00 C ATOM 178 C ALA A 12 0.687 -16.184 -2.059 1.00 0.00 C ATOM 179 O ALA A 12 -0.146 -15.456 -1.472 1.00 0.00 O ATOM 180 CB ALA A 12 2.731 -16.932 -0.744 1.00 0.00 C ATOM 0 H ALA A 12 2.838 -14.529 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 12 2.648 -16.231 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.535 -17.968 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.806 -16.778 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.252 -16.715 0.211 1.00 0.00 H new ATOM 186 N LEU A 13 0.302 -17.147 -2.876 1.00 0.00 N ATOM 187 CA LEU A 13 -1.103 -17.287 -3.270 1.00 0.00 C ATOM 188 C LEU A 13 -1.993 -17.569 -2.079 1.00 0.00 C ATOM 189 O LEU A 13 -1.685 -18.372 -1.188 1.00 0.00 O ATOM 190 CB LEU A 13 -1.295 -18.384 -4.356 1.00 0.00 C ATOM 191 CG LEU A 13 -0.686 -18.166 -5.766 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.825 -18.449 -5.808 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.402 -19.056 -6.793 1.00 0.00 C ATOM 0 H LEU A 13 0.930 -17.842 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.400 -16.330 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.884 -19.313 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.367 -18.538 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.830 -17.114 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.199 -18.281 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.339 -17.783 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.009 -19.484 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.967 -18.895 -7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.286 -20.103 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.462 -18.802 -6.818 1.00 0.00 H new ATOM 205 N GLY A 14 -3.120 -16.872 -2.050 1.00 0.00 N ATOM 206 CA GLY A 14 -4.109 -17.034 -0.989 1.00 0.00 C ATOM 207 C GLY A 14 -3.679 -16.290 0.254 1.00 0.00 C ATOM 208 O GLY A 14 -3.939 -16.713 1.391 1.00 0.00 O ATOM 0 H GLY A 14 -3.376 -16.182 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.077 -16.662 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.236 -18.092 -0.761 1.00 0.00 H new ATOM 212 N GLN A 15 -3.029 -15.158 0.063 1.00 0.00 N ATOM 213 CA GLN A 15 -2.418 -14.432 1.178 1.00 0.00 C ATOM 214 C GLN A 15 -2.789 -12.971 1.134 1.00 0.00 C ATOM 215 O GLN A 15 -2.414 -12.223 0.220 1.00 0.00 O ATOM 216 CB GLN A 15 -0.886 -14.618 1.119 1.00 0.00 C ATOM 217 CG GLN A 15 -0.114 -14.408 2.464 1.00 0.00 C ATOM 218 CD GLN A 15 0.529 -15.617 3.154 1.00 0.00 C ATOM 219 OE1 GLN A 15 1.496 -16.181 2.668 1.00 0.00 O ATOM 220 NE2 GLN A 15 0.034 -16.067 4.279 1.00 0.00 N ATOM 0 H GLN A 15 -2.906 -14.716 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.792 -14.833 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.676 -15.624 0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.484 -13.924 0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.674 -13.678 2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.807 -13.956 3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.774 -15.609 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.456 -16.876 4.734 1.00 0.00 H new ATOM 229 N ASP A 16 -3.509 -12.523 2.148 1.00 0.00 N ATOM 230 CA ASP A 16 -4.059 -11.170 2.162 1.00 0.00 C ATOM 231 C ASP A 16 -2.994 -10.158 2.529 1.00 0.00 C ATOM 232 O ASP A 16 -2.216 -10.325 3.477 1.00 0.00 O ATOM 233 CB ASP A 16 -5.299 -11.108 3.092 1.00 0.00 C ATOM 234 CG ASP A 16 -5.587 -9.764 3.774 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.753 -9.516 4.829 1.00 0.00 O ATOM 236 OD2 ASP A 16 -6.483 -9.012 3.419 1.00 0.00 O ATOM 0 H ASP A 16 -3.729 -13.075 2.977 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.397 -10.907 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.176 -11.387 2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.179 -11.864 3.868 1.00 0.00 H new ATOM 241 N ILE A 17 -2.944 -9.091 1.749 1.00 0.00 N ATOM 242 CA ILE A 17 -1.865 -8.113 1.840 1.00 0.00 C ATOM 243 C ILE A 17 -2.384 -6.708 2.039 1.00 0.00 C ATOM 244 O ILE A 17 -3.591 -6.432 2.034 1.00 0.00 O ATOM 245 CB ILE A 17 -0.915 -8.208 0.573 1.00 0.00 C ATOM 246 CG1 ILE A 17 -1.074 -7.043 -0.456 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.073 -9.556 -0.196 1.00 0.00 C ATOM 248 CD1 ILE A 17 -2.480 -6.877 -1.071 1.00 0.00 C ATOM 0 H ILE A 17 -3.644 -8.876 1.038 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.277 -8.355 2.725 1.00 0.00 H new ATOM 0 HB ILE A 17 0.080 -8.135 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.801 -6.109 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.360 -7.198 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.400 -9.567 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.828 -10.385 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.102 -9.660 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.475 -6.040 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.756 -7.789 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.203 -6.684 -0.279 1.00 0.00 H new ATOM 260 N ASN A 18 -1.452 -5.784 2.213 1.00 0.00 N ATOM 261 CA ASN A 18 -1.759 -4.360 2.288 1.00 0.00 C ATOM 262 C ASN A 18 -0.889 -3.569 1.341 1.00 0.00 C ATOM 263 O ASN A 18 0.348 -3.675 1.346 1.00 0.00 O ATOM 264 CB ASN A 18 -1.565 -3.866 3.753 1.00 0.00 C ATOM 265 CG ASN A 18 -0.974 -4.869 4.749 1.00 0.00 C ATOM 266 OD1 ASN A 18 -1.469 -5.970 4.939 1.00 0.00 O ATOM 267 ND2 ASN A 18 0.102 -4.538 5.412 1.00 0.00 N ATOM 0 H ASN A 18 -0.459 -5.998 2.307 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.796 -4.206 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.920 -2.988 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.534 -3.541 4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.515 -5.194 6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.529 -3.623 5.267 1.00 0.00 H new ATOM 274 N LEU A 19 -1.517 -2.776 0.493 1.00 0.00 N ATOM 275 CA LEU A 19 -0.807 -1.837 -0.375 1.00 0.00 C ATOM 276 C LEU A 19 -0.426 -0.597 0.401 1.00 0.00 C ATOM 277 O LEU A 19 -1.246 0.301 0.643 1.00 0.00 O ATOM 278 CB LEU A 19 -1.668 -1.485 -1.621 1.00 0.00 C ATOM 279 CG LEU A 19 -2.036 -2.629 -2.604 1.00 0.00 C ATOM 280 CD1 LEU A 19 -1.757 -2.194 -4.050 1.00 0.00 C ATOM 281 CD2 LEU A 19 -1.285 -3.937 -2.303 1.00 0.00 C ATOM 0 H LEU A 19 -2.531 -2.760 0.382 1.00 0.00 H new ATOM 0 HA LEU A 19 0.109 -2.308 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.597 -1.037 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.139 -0.718 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.099 -2.828 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.019 -3.004 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.355 -1.314 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.699 -1.955 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.582 -4.701 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.211 -3.766 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.529 -4.273 -1.295 1.00 0.00 H new ATOM 293 N ASP A 20 0.833 -0.518 0.782 1.00 0.00 N ATOM 294 CA ASP A 20 1.311 0.516 1.695 1.00 0.00 C ATOM 295 C ASP A 20 1.384 1.858 1.004 1.00 0.00 C ATOM 296 O ASP A 20 0.679 2.129 0.022 1.00 0.00 O ATOM 297 CB ASP A 20 2.664 0.073 2.323 1.00 0.00 C ATOM 298 CG ASP A 20 2.818 -1.420 2.644 1.00 0.00 C ATOM 299 OD1 ASP A 20 1.645 -2.003 3.037 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.880 -2.018 2.541 1.00 0.00 O ATOM 0 H ASP A 20 1.558 -1.165 0.471 1.00 0.00 H new ATOM 0 HA ASP A 20 0.601 0.642 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.465 0.359 1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.812 0.636 3.244 1.00 0.00 H new ATOM 305 N ILE A 21 2.227 2.732 1.523 1.00 0.00 N ATOM 306 CA ILE A 21 2.295 4.122 1.077 1.00 0.00 C ATOM 307 C ILE A 21 3.575 4.773 1.546 1.00 0.00 C ATOM 308 O ILE A 21 4.151 4.398 2.581 1.00 0.00 O ATOM 309 CB ILE A 21 0.999 4.915 1.535 1.00 0.00 C ATOM 310 CG1 ILE A 21 1.020 6.456 1.274 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.667 4.692 3.045 1.00 0.00 C ATOM 312 CD1 ILE A 21 1.897 7.289 2.230 1.00 0.00 C ATOM 0 H ILE A 21 2.887 2.503 2.267 1.00 0.00 H new ATOM 0 HA ILE A 21 2.314 4.147 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 21 0.227 4.486 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.364 6.628 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.003 6.829 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.228 5.256 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.494 3.631 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.503 5.033 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.836 8.342 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.544 7.159 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.932 6.955 2.158 1.00 0.00 H new ATOM 324 N PRO A 22 4.054 5.745 0.794 1.00 0.00 N ATOM 325 CA PRO A 22 5.279 6.608 1.091 1.00 0.00 C ATOM 326 C PRO A 22 5.393 7.109 2.514 1.00 0.00 C ATOM 327 O PRO A 22 4.527 6.907 3.376 1.00 0.00 O ATOM 328 CB PRO A 22 5.166 7.817 0.169 1.00 0.00 C ATOM 329 CG PRO A 22 4.548 7.166 -1.079 1.00 0.00 C ATOM 330 CD PRO A 22 3.506 6.200 -0.507 1.00 0.00 C ATOM 0 HA PRO A 22 6.163 5.990 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.530 8.598 0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.135 8.272 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.090 7.908 -1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.299 6.641 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.544 6.695 -0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.342 5.358 -1.179 1.00 0.00 H new ATOM 338 N SER A 23 6.481 7.819 2.775 1.00 0.00 N ATOM 339 CA SER A 23 6.772 8.336 4.109 1.00 0.00 C ATOM 340 C SER A 23 6.193 9.717 4.311 1.00 0.00 C ATOM 341 O SER A 23 6.744 10.543 5.064 1.00 0.00 O ATOM 342 CB SER A 23 8.299 8.322 4.379 1.00 0.00 C ATOM 343 OG SER A 23 8.646 7.633 5.585 1.00 0.00 O ATOM 0 H SER A 23 7.184 8.053 2.074 1.00 0.00 H new ATOM 0 HA SER A 23 6.291 7.678 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.807 7.850 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.662 9.348 4.436 1.00 0.00 H new ATOM 0 HG SER A 23 9.618 7.653 5.705 1.00 0.00 H new ATOM 349 N PHE A 24 5.072 10.005 3.679 1.00 0.00 N ATOM 350 CA PHE A 24 4.344 11.254 3.898 1.00 0.00 C ATOM 351 C PHE A 24 3.167 11.033 4.818 1.00 0.00 C ATOM 352 O PHE A 24 2.569 9.943 4.857 1.00 0.00 O ATOM 353 CB PHE A 24 3.827 11.811 2.538 1.00 0.00 C ATOM 354 CG PHE A 24 4.824 12.611 1.685 1.00 0.00 C ATOM 355 CD1 PHE A 24 6.177 12.252 1.674 1.00 0.00 C ATOM 356 CD2 PHE A 24 4.390 13.687 0.906 1.00 0.00 C ATOM 357 CE1 PHE A 24 7.085 12.966 0.900 1.00 0.00 C ATOM 358 CE2 PHE A 24 5.301 14.404 0.135 1.00 0.00 C ATOM 359 CZ PHE A 24 6.648 14.046 0.134 1.00 0.00 C ATOM 0 H PHE A 24 4.635 9.384 2.998 1.00 0.00 H new ATOM 0 HA PHE A 24 5.026 11.969 4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.470 10.971 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.966 12.448 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.517 11.417 2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.346 13.963 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.128 12.684 0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.964 15.238 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.354 14.606 -0.461 1.00 0.00 H new ATOM 369 N GLN A 25 2.807 12.048 5.579 1.00 0.00 N ATOM 370 CA GLN A 25 1.767 11.919 6.600 1.00 0.00 C ATOM 371 C GLN A 25 0.796 13.076 6.540 1.00 0.00 C ATOM 372 O GLN A 25 1.164 14.248 6.703 1.00 0.00 O ATOM 373 CB GLN A 25 2.437 11.835 7.989 1.00 0.00 C ATOM 374 CG GLN A 25 3.697 10.914 8.099 1.00 0.00 C ATOM 375 CD GLN A 25 4.733 11.192 9.196 1.00 0.00 C ATOM 376 OE1 GLN A 25 4.541 10.841 10.349 1.00 0.00 O ATOM 377 NE2 GLN A 25 5.856 11.795 8.897 1.00 0.00 N ATOM 0 H GLN A 25 3.218 12.979 5.514 1.00 0.00 H new ATOM 0 HA GLN A 25 1.195 11.009 6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.723 12.842 8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.694 11.485 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.345 9.891 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.215 10.951 7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.034 12.096 7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.553 11.964 9.622 1.00 0.00 H new ATOM 386 N MET A 26 -0.465 12.765 6.303 1.00 0.00 N ATOM 387 CA MET A 26 -1.513 13.780 6.226 1.00 0.00 C ATOM 388 C MET A 26 -1.610 14.554 7.519 1.00 0.00 C ATOM 389 O MET A 26 -1.007 14.186 8.544 1.00 0.00 O ATOM 390 CB MET A 26 -2.873 13.114 5.878 1.00 0.00 C ATOM 391 CG MET A 26 -3.407 12.093 6.904 1.00 0.00 C ATOM 392 SD MET A 26 -5.188 12.288 7.089 1.00 0.00 S ATOM 393 CE MET A 26 -5.707 10.774 6.266 1.00 0.00 C ATOM 0 H MET A 26 -0.795 11.811 6.159 1.00 0.00 H new ATOM 0 HA MET A 26 -1.257 14.485 5.435 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.619 13.899 5.754 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.774 12.614 4.915 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.175 11.080 6.577 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.914 12.238 7.865 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.682 10.927 5.804 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.980 10.509 5.499 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.774 9.967 6.996 1.00 0.00 H new ATOM 403 N SER A 27 -2.379 15.626 7.518 1.00 0.00 N ATOM 404 CA SER A 27 -2.648 16.376 8.747 1.00 0.00 C ATOM 405 C SER A 27 -4.131 16.635 8.894 1.00 0.00 C ATOM 406 O SER A 27 -4.941 15.679 8.845 1.00 0.00 O ATOM 407 CB SER A 27 -1.789 17.665 8.785 1.00 0.00 C ATOM 408 OG SER A 27 -0.384 17.395 8.813 1.00 0.00 O ATOM 0 H SER A 27 -2.832 16.003 6.685 1.00 0.00 H new ATOM 0 HA SER A 27 -2.355 15.783 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.020 18.276 7.912 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.059 18.250 9.664 1.00 0.00 H new ATOM 0 HG SER A 27 0.111 18.240 8.835 1.00 0.00 H new ATOM 414 N ASP A 28 -4.559 17.869 9.069 1.00 0.00 N ATOM 415 CA ASP A 28 -5.952 18.170 9.393 1.00 0.00 C ATOM 416 C ASP A 28 -6.797 18.397 8.162 1.00 0.00 C ATOM 417 O ASP A 28 -8.052 18.447 8.270 1.00 0.00 O ATOM 418 CB ASP A 28 -6.016 19.395 10.348 1.00 0.00 C ATOM 419 CG ASP A 28 -5.504 20.731 9.789 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.316 21.005 9.699 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.515 21.578 9.429 1.00 0.00 O ATOM 0 H ASP A 28 -3.961 18.692 8.993 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.371 17.299 9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.052 19.531 10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.442 19.159 11.244 1.00 0.00 H new ATOM 426 N ASP A 29 -6.225 18.519 6.981 1.00 0.00 N ATOM 427 CA ASP A 29 -6.976 18.941 5.794 1.00 0.00 C ATOM 428 C ASP A 29 -7.209 17.831 4.793 1.00 0.00 C ATOM 429 O ASP A 29 -7.952 18.038 3.799 1.00 0.00 O ATOM 430 CB ASP A 29 -6.256 20.151 5.135 1.00 0.00 C ATOM 431 CG ASP A 29 -5.927 21.335 6.054 1.00 0.00 C ATOM 432 OD1 ASP A 29 -7.044 21.991 6.494 1.00 0.00 O ATOM 433 OD2 ASP A 29 -4.786 21.638 6.371 1.00 0.00 O ATOM 0 H ASP A 29 -5.237 18.333 6.807 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.971 19.236 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.326 19.795 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.879 20.516 4.319 1.00 0.00 H new ATOM 438 N ILE A 30 -6.648 16.654 4.982 1.00 0.00 N ATOM 439 CA ILE A 30 -6.814 15.559 4.023 1.00 0.00 C ATOM 440 C ILE A 30 -8.133 14.855 4.238 1.00 0.00 C ATOM 441 O ILE A 30 -8.484 14.465 5.364 1.00 0.00 O ATOM 442 CB ILE A 30 -5.593 14.553 4.066 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.266 15.113 3.460 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.905 13.192 3.371 1.00 0.00 C ATOM 445 CD1 ILE A 30 -4.086 16.643 3.532 1.00 0.00 C ATOM 0 H ILE A 30 -6.070 16.422 5.790 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.828 15.989 3.022 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.441 14.402 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.428 14.643 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.210 14.809 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.031 12.544 3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.748 12.713 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.155 13.367 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.132 16.919 3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.896 17.131 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.102 16.963 4.574 1.00 0.00 H new ATOM 457 N ASP A 31 -8.879 14.661 3.164 1.00 0.00 N ATOM 458 CA ASP A 31 -10.236 14.128 3.258 1.00 0.00 C ATOM 459 C ASP A 31 -10.487 12.986 2.298 1.00 0.00 C ATOM 460 O ASP A 31 -11.291 12.073 2.616 1.00 0.00 O ATOM 461 CB ASP A 31 -11.266 15.274 3.055 1.00 0.00 C ATOM 462 CG ASP A 31 -12.266 15.506 4.198 1.00 0.00 C ATOM 463 OD1 ASP A 31 -11.743 15.213 5.426 1.00 0.00 O ATOM 464 OD2 ASP A 31 -13.409 15.898 4.014 1.00 0.00 O ATOM 0 H ASP A 31 -8.571 14.864 2.213 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.357 13.710 4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.717 16.201 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.830 15.069 2.145 1.00 0.00 H new ATOM 469 N ASP A 32 -9.844 12.946 1.148 1.00 0.00 N ATOM 470 CA ASP A 32 -10.167 11.959 0.115 1.00 0.00 C ATOM 471 C ASP A 32 -9.030 10.985 -0.085 1.00 0.00 C ATOM 472 O ASP A 32 -7.845 11.307 0.080 1.00 0.00 O ATOM 473 CB ASP A 32 -10.556 12.681 -1.202 1.00 0.00 C ATOM 474 CG ASP A 32 -11.777 13.612 -1.139 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.684 13.465 -0.334 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.724 14.620 -2.061 1.00 0.00 O ATOM 0 H ASP A 32 -9.090 13.585 0.897 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.025 11.372 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.699 13.265 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.743 11.924 -1.964 1.00 0.00 H new ATOM 481 N ILE A 33 -9.380 9.771 -0.469 1.00 0.00 N ATOM 482 CA ILE A 33 -8.406 8.727 -0.777 1.00 0.00 C ATOM 483 C ILE A 33 -8.788 7.996 -2.042 1.00 0.00 C ATOM 484 O ILE A 33 -9.946 8.076 -2.502 1.00 0.00 O ATOM 485 CB ILE A 33 -8.221 7.733 0.441 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.955 8.425 1.817 1.00 0.00 C ATOM 487 CG2 ILE A 33 -7.091 6.685 0.200 1.00 0.00 C ATOM 488 CD1 ILE A 33 -9.203 8.731 2.669 1.00 0.00 C ATOM 0 H ILE A 33 -10.350 9.475 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.441 9.204 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.190 7.236 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.289 7.789 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.425 9.360 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.010 6.031 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.329 6.090 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.143 7.201 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.900 9.210 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.866 9.398 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.727 7.802 2.893 1.00 0.00 H new ATOM 500 N LYS A 34 -7.847 7.292 -2.649 1.00 0.00 N ATOM 501 CA LYS A 34 -8.169 6.447 -3.800 1.00 0.00 C ATOM 502 C LYS A 34 -7.152 5.347 -4.024 1.00 0.00 C ATOM 503 O LYS A 34 -5.945 5.467 -3.779 1.00 0.00 O ATOM 504 CB LYS A 34 -8.293 7.337 -5.067 1.00 0.00 C ATOM 505 CG LYS A 34 -9.222 6.745 -6.158 1.00 0.00 C ATOM 506 CD LYS A 34 -9.145 7.446 -7.517 1.00 0.00 C ATOM 507 CE LYS A 34 -8.075 6.769 -8.384 1.00 0.00 C ATOM 508 NZ LYS A 34 -7.820 7.592 -9.580 1.00 0.00 N ATOM 0 H LYS A 34 -6.865 7.284 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.117 5.951 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.669 8.318 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.301 7.489 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.975 5.692 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.251 6.787 -5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.113 7.402 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.904 8.500 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.155 6.643 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.406 5.773 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.095 7.134 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.699 7.690 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.486 8.533 -9.289 1.00 0.00 H new ATOM 522 N TRP A 35 -7.652 4.232 -4.534 1.00 0.00 N ATOM 523 CA TRP A 35 -6.835 3.103 -4.964 1.00 0.00 C ATOM 524 C TRP A 35 -7.490 2.404 -6.136 1.00 0.00 C ATOM 525 O TRP A 35 -8.547 1.767 -5.990 1.00 0.00 O ATOM 526 CB TRP A 35 -6.672 2.102 -3.789 1.00 0.00 C ATOM 527 CG TRP A 35 -5.505 2.383 -2.839 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.585 3.073 -1.611 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.201 1.943 -2.947 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.347 3.066 -0.936 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.508 2.356 -1.781 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.529 1.225 -3.972 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.154 1.998 -1.601 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.198 0.861 -3.758 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.526 1.226 -2.583 1.00 0.00 C ATOM 0 H TRP A 35 -8.653 4.082 -4.664 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.855 3.470 -5.270 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.595 2.096 -3.210 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.548 1.101 -4.202 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.480 3.546 -1.236 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.121 3.486 -0.034 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.034 0.968 -4.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.614 2.315 -0.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.677 0.288 -4.511 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.506 0.905 -2.434 1.00 0.00 H new ATOM 546 N GLU A 36 -6.911 2.526 -7.314 1.00 0.00 N ATOM 547 CA GLU A 36 -7.533 2.005 -8.531 1.00 0.00 C ATOM 548 C GLU A 36 -6.810 0.773 -9.017 1.00 0.00 C ATOM 549 O GLU A 36 -5.651 0.511 -8.633 1.00 0.00 O ATOM 550 CB GLU A 36 -7.522 3.128 -9.605 1.00 0.00 C ATOM 551 CG GLU A 36 -8.563 3.026 -10.769 1.00 0.00 C ATOM 552 CD GLU A 36 -9.156 4.321 -11.328 1.00 0.00 C ATOM 553 OE1 GLU A 36 -8.516 5.102 -12.020 1.00 0.00 O ATOM 554 OE2 GLU A 36 -10.457 4.523 -10.982 1.00 0.00 O ATOM 0 H GLU A 36 -6.010 2.981 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.562 1.709 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.677 4.080 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.526 3.161 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.088 2.495 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.389 2.405 -10.423 1.00 0.00 H new ATOM 561 N LYS A 37 -7.442 0.002 -9.881 1.00 0.00 N ATOM 562 CA LYS A 37 -6.775 -1.132 -10.522 1.00 0.00 C ATOM 563 C LYS A 37 -6.125 -0.678 -11.808 1.00 0.00 C ATOM 564 O LYS A 37 -6.680 -0.843 -12.902 1.00 0.00 O ATOM 565 CB LYS A 37 -7.794 -2.276 -10.773 1.00 0.00 C ATOM 566 CG LYS A 37 -7.190 -3.691 -10.584 1.00 0.00 C ATOM 567 CD LYS A 37 -8.178 -4.755 -10.098 1.00 0.00 C ATOM 568 CE LYS A 37 -8.900 -5.364 -11.307 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.099 -4.564 -11.615 1.00 0.00 N ATOM 0 H LYS A 37 -8.414 0.134 -10.160 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.996 -1.519 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.638 -2.156 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.185 -2.188 -11.787 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.764 -4.018 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.368 -3.627 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.651 -5.532 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.901 -4.311 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.233 -5.387 -12.169 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.182 -6.395 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.248 -4.543 -12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.928 -4.990 -11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.968 -3.594 -11.265 1.00 0.00 H new ATOM 583 N THR A 38 -4.934 -0.126 -11.689 1.00 0.00 N ATOM 584 CA THR A 38 -4.225 0.582 -12.753 1.00 0.00 C ATOM 585 C THR A 38 -4.678 0.206 -14.146 1.00 0.00 C ATOM 586 O THR A 38 -5.211 1.041 -14.900 1.00 0.00 O ATOM 587 CB THR A 38 -2.678 0.359 -12.615 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.407 -0.942 -12.119 1.00 0.00 O ATOM 589 CG2 THR A 38 -1.936 1.306 -11.646 1.00 0.00 C ATOM 0 H THR A 38 -4.407 -0.156 -10.816 1.00 0.00 H new ATOM 0 HA THR A 38 -4.468 1.637 -12.626 1.00 0.00 H new ATOM 0 HB THR A 38 -2.320 0.544 -13.628 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.131 -1.549 -12.380 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.875 1.056 -11.634 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.062 2.337 -11.977 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.346 1.194 -10.642 1.00 0.00 H new ATOM 597 N SER A 39 -4.503 -1.047 -14.519 1.00 0.00 N ATOM 598 CA SER A 39 -4.808 -1.491 -15.879 1.00 0.00 C ATOM 599 C SER A 39 -6.286 -1.379 -16.168 1.00 0.00 C ATOM 600 O SER A 39 -6.717 -0.759 -17.152 1.00 0.00 O ATOM 601 CB SER A 39 -4.288 -2.930 -16.123 1.00 0.00 C ATOM 602 OG SER A 39 -3.763 -3.114 -17.443 1.00 0.00 O ATOM 0 H SER A 39 -4.151 -1.781 -13.904 1.00 0.00 H new ATOM 0 HA SER A 39 -4.288 -0.832 -16.574 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.512 -3.160 -15.393 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.100 -3.638 -15.958 1.00 0.00 H new ATOM 0 HG SER A 39 -3.448 -4.036 -17.544 1.00 0.00 H new ATOM 608 N ASP A 40 -7.092 -1.997 -15.324 1.00 0.00 N ATOM 609 CA ASP A 40 -8.537 -2.063 -15.535 1.00 0.00 C ATOM 610 C ASP A 40 -9.216 -0.730 -15.313 1.00 0.00 C ATOM 611 O ASP A 40 -10.425 -0.583 -15.619 1.00 0.00 O ATOM 612 CB ASP A 40 -9.151 -3.170 -14.635 1.00 0.00 C ATOM 613 CG ASP A 40 -9.377 -4.541 -15.290 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.541 -4.686 -16.492 1.00 0.00 O ATOM 615 OD2 ASP A 40 -9.351 -5.569 -14.390 1.00 0.00 O ATOM 0 H ASP A 40 -6.772 -2.466 -14.477 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.710 -2.320 -16.580 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.500 -3.308 -13.772 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.108 -2.811 -14.258 1.00 0.00 H new ATOM 620 N LYS A 41 -8.520 0.277 -14.823 1.00 0.00 N ATOM 621 CA LYS A 41 -9.149 1.550 -14.455 1.00 0.00 C ATOM 622 C LYS A 41 -10.375 1.322 -13.606 1.00 0.00 C ATOM 623 O LYS A 41 -11.464 1.857 -13.857 1.00 0.00 O ATOM 624 CB LYS A 41 -9.493 2.331 -15.754 1.00 0.00 C ATOM 625 CG LYS A 41 -8.735 1.792 -16.998 1.00 0.00 C ATOM 626 CD LYS A 41 -8.810 2.687 -18.237 1.00 0.00 C ATOM 627 CE LYS A 41 -10.223 2.610 -18.831 1.00 0.00 C ATOM 628 NZ LYS A 41 -10.262 3.355 -20.102 1.00 0.00 N ATOM 0 H LYS A 41 -7.513 0.247 -14.666 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.457 2.141 -13.856 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.566 2.272 -15.934 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.250 3.384 -15.614 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.687 1.650 -16.733 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.135 0.811 -17.252 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.570 3.717 -17.972 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.074 2.368 -18.975 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.503 1.570 -18.998 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.947 3.026 -18.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.219 3.303 -20.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.012 4.350 -19.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.582 2.938 -20.770 1.00 0.00 H new ATOM 642 N LYS A 42 -10.217 0.492 -12.585 1.00 0.00 N ATOM 643 CA LYS A 42 -11.343 0.063 -11.760 1.00 0.00 C ATOM 644 C LYS A 42 -11.169 0.451 -10.307 1.00 0.00 C ATOM 645 O LYS A 42 -10.537 -0.233 -9.492 1.00 0.00 O ATOM 646 CB LYS A 42 -11.534 -1.473 -11.907 1.00 0.00 C ATOM 647 CG LYS A 42 -12.806 -1.851 -12.711 1.00 0.00 C ATOM 648 CD LYS A 42 -13.039 -3.353 -12.891 1.00 0.00 C ATOM 649 CE LYS A 42 -13.433 -3.632 -14.348 1.00 0.00 C ATOM 650 NZ LYS A 42 -14.899 -3.564 -14.481 1.00 0.00 N ATOM 0 H LYS A 42 -9.318 0.100 -12.305 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.238 0.576 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.659 -1.897 -12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.590 -1.923 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.674 -1.422 -12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.745 -1.388 -13.696 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.136 -3.907 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.825 -3.694 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.963 -2.904 -15.009 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.075 -4.616 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.167 -3.753 -15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.337 -4.275 -13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.229 -2.616 -14.208 1.00 0.00 H new ATOM 664 N LYS A 43 -11.786 1.570 -9.951 1.00 0.00 N ATOM 665 CA LYS A 43 -11.857 2.043 -8.573 1.00 0.00 C ATOM 666 C LYS A 43 -12.219 0.926 -7.619 1.00 0.00 C ATOM 667 O LYS A 43 -13.381 0.521 -7.480 1.00 0.00 O ATOM 668 CB LYS A 43 -12.889 3.201 -8.475 1.00 0.00 C ATOM 669 CG LYS A 43 -14.088 3.080 -9.449 1.00 0.00 C ATOM 670 CD LYS A 43 -14.554 1.650 -9.739 1.00 0.00 C ATOM 671 CE LYS A 43 -16.064 1.543 -9.487 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.412 0.143 -9.188 1.00 0.00 N ATOM 0 H LYS A 43 -12.257 2.182 -10.617 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.872 2.409 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.270 3.246 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.377 4.144 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.927 3.642 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.818 3.555 -10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.327 1.385 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.018 0.945 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.352 2.186 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.615 1.887 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.435 0.069 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.151 -0.459 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.896 -0.170 -8.341 1.00 0.00 H new ATOM 686 N ILE A 44 -11.213 0.422 -6.926 1.00 0.00 N ATOM 687 CA ILE A 44 -11.388 -0.640 -5.939 1.00 0.00 C ATOM 688 C ILE A 44 -11.585 -0.080 -4.549 1.00 0.00 C ATOM 689 O ILE A 44 -12.210 -0.714 -3.679 1.00 0.00 O ATOM 690 CB ILE A 44 -10.186 -1.671 -5.998 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.772 -1.013 -6.084 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.319 -2.690 -7.171 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.576 -1.985 -6.140 1.00 0.00 C ATOM 0 H ILE A 44 -10.248 0.735 -7.029 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.298 -1.184 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.262 -2.190 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.741 -0.379 -6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.644 -0.360 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.467 -3.370 -7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.240 -3.260 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.342 -2.153 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.648 -1.417 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.567 -2.603 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.666 -2.623 -7.019 1.00 0.00 H new ATOM 705 N ALA A 45 -11.073 1.110 -4.299 1.00 0.00 N ATOM 706 CA ALA A 45 -11.290 1.806 -3.031 1.00 0.00 C ATOM 707 C ALA A 45 -11.173 3.301 -3.213 1.00 0.00 C ATOM 708 O ALA A 45 -10.333 3.789 -3.994 1.00 0.00 O ATOM 709 CB ALA A 45 -10.281 1.247 -2.014 1.00 0.00 C ATOM 0 H ALA A 45 -10.495 1.626 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.300 1.634 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.417 1.747 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.443 0.176 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.267 1.422 -2.374 1.00 0.00 H new ATOM 715 N GLN A 46 -11.977 4.067 -2.499 1.00 0.00 N ATOM 716 CA GLN A 46 -11.874 5.527 -2.537 1.00 0.00 C ATOM 717 C GLN A 46 -12.753 6.185 -1.499 1.00 0.00 C ATOM 718 O GLN A 46 -13.797 5.667 -1.078 1.00 0.00 O ATOM 719 CB GLN A 46 -12.254 6.000 -3.958 1.00 0.00 C ATOM 720 CG GLN A 46 -13.594 5.443 -4.542 1.00 0.00 C ATOM 721 CD GLN A 46 -14.206 6.114 -5.778 1.00 0.00 C ATOM 722 OE1 GLN A 46 -14.257 5.535 -6.851 1.00 0.00 O ATOM 723 NE2 GLN A 46 -14.664 7.338 -5.698 1.00 0.00 N ATOM 0 H GLN A 46 -12.709 3.710 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.850 5.818 -2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.310 7.089 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.446 5.727 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.435 4.392 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.339 5.478 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.630 7.838 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.055 7.791 -6.524 1.00 0.00 H new ATOM 732 N PHE A 47 -12.349 7.374 -1.080 1.00 0.00 N ATOM 733 CA PHE A 47 -13.138 8.213 -0.183 1.00 0.00 C ATOM 734 C PHE A 47 -13.448 9.546 -0.828 1.00 0.00 C ATOM 735 O PHE A 47 -12.550 10.361 -1.097 1.00 0.00 O ATOM 736 CB PHE A 47 -12.355 8.469 1.141 1.00 0.00 C ATOM 737 CG PHE A 47 -13.149 8.325 2.449 1.00 0.00 C ATOM 738 CD1 PHE A 47 -14.292 9.095 2.677 1.00 0.00 C ATOM 739 CD2 PHE A 47 -12.690 7.461 3.450 1.00 0.00 C ATOM 740 CE1 PHE A 47 -14.973 8.996 3.887 1.00 0.00 C ATOM 741 CE2 PHE A 47 -13.373 7.360 4.658 1.00 0.00 C ATOM 742 CZ PHE A 47 -14.518 8.123 4.874 1.00 0.00 C ATOM 0 H PHE A 47 -11.458 7.790 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.070 7.690 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.512 7.779 1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.941 9.477 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.648 9.769 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.801 6.870 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.854 9.596 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.016 6.691 5.427 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.054 8.038 5.808 1.00 0.00 H new ATOM 752 N ARG A 48 -14.720 9.804 -1.067 1.00 0.00 N ATOM 753 CA ARG A 48 -15.166 11.006 -1.769 1.00 0.00 C ATOM 754 C ARG A 48 -16.594 11.342 -1.398 1.00 0.00 C ATOM 755 O ARG A 48 -17.482 10.477 -1.386 1.00 0.00 O ATOM 756 CB ARG A 48 -15.002 10.789 -3.298 1.00 0.00 C ATOM 757 CG ARG A 48 -15.759 11.804 -4.198 1.00 0.00 C ATOM 758 CD ARG A 48 -15.182 11.877 -5.618 1.00 0.00 C ATOM 759 NE ARG A 48 -16.220 12.440 -6.519 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.258 13.685 -6.974 1.00 0.00 C ATOM 761 NH1 ARG A 48 -15.415 14.616 -6.639 1.00 0.00 N ATOM 762 NH2 ARG A 48 -17.194 13.986 -7.805 1.00 0.00 N ATOM 0 H ARG A 48 -15.480 9.187 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.553 11.857 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.941 10.833 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.345 9.784 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.811 11.523 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.716 12.792 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.289 12.501 -5.632 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.883 10.885 -5.957 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.969 11.814 -6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.661 14.409 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.508 15.553 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.871 13.278 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.259 14.933 -8.179 1.00 0.00 H new ATOM 776 N LYS A 49 -16.845 12.607 -1.114 1.00 0.00 N ATOM 777 CA LYS A 49 -18.132 13.059 -0.589 1.00 0.00 C ATOM 778 C LYS A 49 -18.359 12.512 0.802 1.00 0.00 C ATOM 779 O LYS A 49 -18.132 11.322 1.079 1.00 0.00 O ATOM 780 CB LYS A 49 -19.286 12.637 -1.540 1.00 0.00 C ATOM 781 CG LYS A 49 -19.037 12.956 -3.034 1.00 0.00 C ATOM 782 CD LYS A 49 -20.025 12.301 -4.004 1.00 0.00 C ATOM 783 CE LYS A 49 -20.963 13.372 -4.576 1.00 0.00 C ATOM 784 NZ LYS A 49 -20.702 13.532 -6.018 1.00 0.00 N ATOM 0 H LYS A 49 -16.164 13.356 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 49 -18.118 14.147 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.454 11.565 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.202 13.136 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.077 14.037 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.028 12.638 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.485 11.806 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.603 11.533 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.002 13.086 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.809 14.320 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.337 14.258 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.714 13.823 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.870 12.628 -6.504 1.00 0.00 H new ATOM 798 N GLU A 50 -18.801 13.361 1.711 1.00 0.00 N ATOM 799 CA GLU A 50 -19.133 12.938 3.071 1.00 0.00 C ATOM 800 C GLU A 50 -20.583 12.534 3.197 1.00 0.00 C ATOM 801 O GLU A 50 -21.225 12.749 4.245 1.00 0.00 O ATOM 802 CB GLU A 50 -18.797 14.108 4.040 1.00 0.00 C ATOM 803 CG GLU A 50 -18.605 13.757 5.552 1.00 0.00 C ATOM 804 CD GLU A 50 -17.414 12.881 5.949 1.00 0.00 C ATOM 805 OE1 GLU A 50 -16.888 12.085 5.183 1.00 0.00 O ATOM 806 OE2 GLU A 50 -16.998 13.071 7.232 1.00 0.00 O ATOM 0 H GLU A 50 -18.941 14.356 1.536 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.544 12.057 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.884 14.586 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.594 14.848 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.527 14.694 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.512 13.260 5.896 1.00 0.00 H new ATOM 813 N LYS A 51 -21.149 11.956 2.155 1.00 0.00 N ATOM 814 CA LYS A 51 -22.512 11.395 2.192 1.00 0.00 C ATOM 815 C LYS A 51 -22.626 9.924 1.787 1.00 0.00 C ATOM 816 O LYS A 51 -23.663 9.276 1.958 1.00 0.00 O ATOM 817 CB LYS A 51 -23.401 12.240 1.238 1.00 0.00 C ATOM 818 CG LYS A 51 -24.799 12.576 1.809 1.00 0.00 C ATOM 819 CD LYS A 51 -25.953 12.454 0.810 1.00 0.00 C ATOM 820 CE LYS A 51 -27.166 13.230 1.340 1.00 0.00 C ATOM 821 NZ LYS A 51 -27.201 13.140 2.811 1.00 0.00 N ATOM 0 H LYS A 51 -20.687 11.855 1.251 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.832 11.438 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.883 13.170 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -23.524 11.699 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.998 11.916 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -24.781 13.594 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -25.652 12.847 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -26.213 11.406 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -27.108 14.273 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -28.085 12.823 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -28.152 13.388 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.970 12.169 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.506 13.799 3.216 1.00 0.00 H new ATOM 835 N GLU A 52 -21.523 9.417 1.269 1.00 0.00 N ATOM 836 CA GLU A 52 -21.480 8.072 0.705 1.00 0.00 C ATOM 837 C GLU A 52 -20.129 7.777 0.095 1.00 0.00 C ATOM 838 O GLU A 52 -19.742 8.351 -0.935 1.00 0.00 O ATOM 839 CB GLU A 52 -22.615 7.949 -0.352 1.00 0.00 C ATOM 840 CG GLU A 52 -22.624 6.679 -1.264 1.00 0.00 C ATOM 841 CD GLU A 52 -21.945 6.762 -2.633 1.00 0.00 C ATOM 842 OE1 GLU A 52 -21.548 7.813 -3.118 1.00 0.00 O ATOM 843 OE2 GLU A 52 -21.825 5.558 -3.259 1.00 0.00 O ATOM 0 H GLU A 52 -20.635 9.918 1.225 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.633 7.337 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -23.569 7.991 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.568 8.826 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -22.153 5.868 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -23.663 6.394 -1.426 1.00 0.00 H new ATOM 850 N THR A 53 -19.393 6.863 0.700 1.00 0.00 N ATOM 851 CA THR A 53 -18.051 6.509 0.244 1.00 0.00 C ATOM 852 C THR A 53 -18.011 5.100 -0.300 1.00 0.00 C ATOM 853 O THR A 53 -19.036 4.403 -0.379 1.00 0.00 O ATOM 854 CB THR A 53 -17.015 6.685 1.405 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.136 5.625 2.346 1.00 0.00 O ATOM 856 CG2 THR A 53 -17.149 7.970 2.253 1.00 0.00 C ATOM 0 H THR A 53 -19.703 6.343 1.521 1.00 0.00 H new ATOM 0 HA THR A 53 -17.781 7.185 -0.567 1.00 0.00 H new ATOM 0 HB THR A 53 -16.065 6.715 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.733 5.896 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.378 7.979 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 53 -17.031 8.843 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 -18.132 7.995 2.723 1.00 0.00 H new ATOM 864 N PHE A 54 -16.832 4.643 -0.680 1.00 0.00 N ATOM 865 CA PHE A 54 -16.659 3.342 -1.323 1.00 0.00 C ATOM 866 C PHE A 54 -15.533 2.563 -0.685 1.00 0.00 C ATOM 867 O PHE A 54 -14.362 2.679 -1.111 1.00 0.00 O ATOM 868 CB PHE A 54 -16.333 3.538 -2.836 1.00 0.00 C ATOM 869 CG PHE A 54 -16.152 2.273 -3.690 1.00 0.00 C ATOM 870 CD1 PHE A 54 -14.953 1.557 -3.673 1.00 0.00 C ATOM 871 CD2 PHE A 54 -17.184 1.868 -4.546 1.00 0.00 C ATOM 872 CE1 PHE A 54 -14.805 0.423 -4.468 1.00 0.00 C ATOM 873 CE2 PHE A 54 -17.039 0.730 -5.331 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.854 0.000 -5.283 1.00 0.00 C ATOM 0 H PHE A 54 -15.962 5.160 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.589 2.786 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.133 4.132 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.419 4.128 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.139 1.883 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.097 2.443 -4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.877 -0.129 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.844 0.412 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.748 -0.895 -5.878 1.00 0.00 H new ATOM 884 N LYS A 55 -15.823 1.768 0.335 1.00 0.00 N ATOM 885 CA LYS A 55 -14.762 1.073 1.069 1.00 0.00 C ATOM 886 C LYS A 55 -15.257 -0.139 1.828 1.00 0.00 C ATOM 887 O LYS A 55 -14.481 -0.720 2.628 1.00 0.00 O ATOM 888 CB LYS A 55 -14.074 2.082 2.028 1.00 0.00 C ATOM 889 CG LYS A 55 -14.613 2.132 3.478 1.00 0.00 C ATOM 890 CD LYS A 55 -15.984 2.797 3.650 1.00 0.00 C ATOM 891 CE LYS A 55 -16.395 2.715 5.127 1.00 0.00 C ATOM 892 NZ LYS A 55 -17.456 3.702 5.400 1.00 0.00 N ATOM 0 H LYS A 55 -16.768 1.586 0.674 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.046 0.692 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.011 1.845 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.163 3.079 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.672 1.113 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.891 2.663 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.941 3.837 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.725 2.300 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.749 1.711 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.533 2.906 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.734 3.646 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.103 4.658 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.281 3.500 4.800 1.00 0.00 H new ATOM 906 N GLU A 56 -16.475 -0.597 1.621 1.00 0.00 N ATOM 907 CA GLU A 56 -17.045 -1.673 2.436 1.00 0.00 C ATOM 908 C GLU A 56 -16.728 -3.041 1.872 1.00 0.00 C ATOM 909 O GLU A 56 -17.530 -3.658 1.157 1.00 0.00 O ATOM 910 CB GLU A 56 -18.581 -1.451 2.528 1.00 0.00 C ATOM 911 CG GLU A 56 -19.076 -0.182 3.299 1.00 0.00 C ATOM 912 CD GLU A 56 -20.583 0.064 3.405 1.00 0.00 C ATOM 913 OE1 GLU A 56 -21.288 -0.470 4.251 1.00 0.00 O ATOM 914 OE2 GLU A 56 -21.063 0.932 2.471 1.00 0.00 O ATOM 0 H GLU A 56 -17.098 -0.245 0.894 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.600 -1.642 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.977 -1.406 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.021 -2.328 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.676 -0.232 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.630 0.691 2.822 1.00 0.00 H new ATOM 921 N LYS A 57 -15.552 -3.545 2.205 1.00 0.00 N ATOM 922 CA LYS A 57 -15.135 -4.892 1.816 1.00 0.00 C ATOM 923 C LYS A 57 -13.742 -5.184 2.325 1.00 0.00 C ATOM 924 O LYS A 57 -12.919 -4.244 2.465 1.00 0.00 O ATOM 925 CB LYS A 57 -15.204 -5.030 0.270 1.00 0.00 C ATOM 926 CG LYS A 57 -14.666 -3.790 -0.486 1.00 0.00 C ATOM 927 CD LYS A 57 -15.369 -3.489 -1.813 1.00 0.00 C ATOM 928 CE LYS A 57 -15.086 -4.625 -2.804 1.00 0.00 C ATOM 929 NZ LYS A 57 -15.798 -4.362 -4.068 1.00 0.00 N ATOM 0 H LYS A 57 -14.856 -3.037 2.752 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.811 -5.621 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.633 -5.907 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.239 -5.205 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.758 -2.919 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.603 -3.933 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.443 -3.388 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.016 -2.541 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.014 -4.704 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.408 -5.578 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.607 -5.132 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.820 -4.307 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.470 -3.461 -4.470 1.00 0.00 H new ATOM 943 N ASP A 58 -13.414 -6.425 2.625 1.00 0.00 N ATOM 944 CA ASP A 58 -12.037 -6.780 2.995 1.00 0.00 C ATOM 945 C ASP A 58 -11.172 -7.057 1.785 1.00 0.00 C ATOM 946 O ASP A 58 -9.945 -6.887 1.795 1.00 0.00 O ATOM 947 CB ASP A 58 -12.015 -7.980 3.979 1.00 0.00 C ATOM 948 CG ASP A 58 -13.009 -7.948 5.146 1.00 0.00 C ATOM 949 OD1 ASP A 58 -12.788 -7.359 6.196 1.00 0.00 O ATOM 950 OD2 ASP A 58 -14.169 -8.620 4.878 1.00 0.00 O ATOM 0 H ASP A 58 -14.069 -7.207 2.623 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.611 -5.914 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.196 -8.890 3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.010 -8.059 4.393 1.00 0.00 H new ATOM 955 N THR A 59 -11.814 -7.519 0.723 1.00 0.00 N ATOM 956 CA THR A 59 -11.123 -7.714 -0.548 1.00 0.00 C ATOM 957 C THR A 59 -10.374 -6.461 -0.935 1.00 0.00 C ATOM 958 O THR A 59 -9.334 -6.504 -1.605 1.00 0.00 O ATOM 959 CB THR A 59 -12.122 -8.118 -1.686 1.00 0.00 C ATOM 960 OG1 THR A 59 -11.433 -8.254 -2.924 1.00 0.00 O ATOM 961 CG2 THR A 59 -13.268 -7.127 -1.984 1.00 0.00 C ATOM 0 H THR A 59 -12.804 -7.765 0.712 1.00 0.00 H new ATOM 0 HA THR A 59 -10.412 -8.530 -0.419 1.00 0.00 H new ATOM 0 HB THR A 59 -12.557 -9.040 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.269 -7.367 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.889 -7.520 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.876 -6.994 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.849 -6.166 -2.284 1.00 0.00 H new ATOM 969 N TYR A 60 -10.931 -5.323 -0.559 1.00 0.00 N ATOM 970 CA TYR A 60 -10.256 -4.037 -0.717 1.00 0.00 C ATOM 971 C TYR A 60 -10.691 -3.059 0.350 1.00 0.00 C ATOM 972 O TYR A 60 -11.816 -2.531 0.326 1.00 0.00 O ATOM 973 CB TYR A 60 -10.575 -3.414 -2.108 1.00 0.00 C ATOM 974 CG TYR A 60 -9.958 -4.122 -3.323 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.643 -3.854 -3.711 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.714 -5.051 -4.043 1.00 0.00 C ATOM 977 CE1 TYR A 60 -8.082 -4.530 -4.793 1.00 0.00 C ATOM 978 CE2 TYR A 60 -10.150 -5.730 -5.120 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.833 -5.472 -5.491 1.00 0.00 C ATOM 980 OH TYR A 60 -8.277 -6.137 -6.546 1.00 0.00 O ATOM 0 H TYR A 60 -11.858 -5.259 -0.138 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.186 -4.224 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.657 -3.395 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.236 -2.378 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.060 -3.122 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.739 -5.243 -3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.064 -4.323 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.733 -6.456 -5.667 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.933 -6.760 -6.923 1.00 0.00 H new ATOM 990 N LYS A 61 -9.831 -2.805 1.321 1.00 0.00 N ATOM 991 CA LYS A 61 -10.116 -1.861 2.401 1.00 0.00 C ATOM 992 C LYS A 61 -9.328 -0.578 2.244 1.00 0.00 C ATOM 993 O LYS A 61 -8.303 -0.506 1.553 1.00 0.00 O ATOM 994 CB LYS A 61 -9.804 -2.532 3.767 1.00 0.00 C ATOM 995 CG LYS A 61 -11.052 -3.115 4.479 1.00 0.00 C ATOM 996 CD LYS A 61 -11.058 -2.979 6.006 1.00 0.00 C ATOM 997 CE LYS A 61 -10.339 -1.685 6.410 1.00 0.00 C ATOM 998 NZ LYS A 61 -11.337 -0.656 6.753 1.00 0.00 N ATOM 0 H LYS A 61 -8.913 -3.245 1.388 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.172 -1.596 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.080 -3.332 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.333 -1.799 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.940 -2.621 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.135 -4.172 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.083 -2.968 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.564 -3.838 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.685 -1.871 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.708 -1.337 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.851 0.222 7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.944 -0.473 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.921 -0.990 7.546 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.787 0.462 2.914 1.00 0.00 N ATOM 1013 CA LEU A 62 -9.191 1.796 2.876 1.00 0.00 C ATOM 1014 C LEU A 62 -8.753 2.217 4.261 1.00 0.00 C ATOM 1015 O LEU A 62 -9.579 2.205 5.207 1.00 0.00 O ATOM 1016 CB LEU A 62 -10.206 2.819 2.288 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.711 4.219 1.838 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -8.273 4.133 1.309 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -10.621 4.850 0.769 1.00 0.00 C ATOM 0 H LEU A 62 -10.607 0.407 3.518 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.312 1.770 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.681 2.349 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.984 2.973 3.036 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.742 4.863 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.940 5.123 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.617 3.761 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.239 3.454 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.230 5.828 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.650 4.206 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.628 4.963 1.170 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.502 2.586 4.464 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.027 3.030 5.777 1.00 0.00 C ATOM 1033 C PHE A 63 -6.686 4.501 5.767 1.00 0.00 C ATOM 1034 O PHE A 63 -6.671 5.165 4.720 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.759 2.225 6.200 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.946 0.712 6.392 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.812 0.246 7.389 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.234 -0.203 5.614 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.957 -1.119 7.609 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.382 -1.571 5.835 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.244 -2.028 6.831 1.00 0.00 C ATOM 0 H PHE A 63 -6.787 2.590 3.737 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.833 2.855 6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.987 2.381 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.383 2.644 7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.369 0.950 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.568 0.150 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.622 -1.474 8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.829 -2.278 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.359 -3.089 7.000 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.410 5.044 6.941 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.195 6.481 7.095 1.00 0.00 C ATOM 1053 C LYS A 64 -4.863 6.893 6.516 1.00 0.00 C ATOM 1054 O LYS A 64 -4.714 7.971 5.920 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.298 6.871 8.596 1.00 0.00 C ATOM 1056 CG LYS A 64 -4.982 6.765 9.404 1.00 0.00 C ATOM 1057 CD LYS A 64 -4.717 5.393 10.031 1.00 0.00 C ATOM 1058 CE LYS A 64 -5.131 5.423 11.509 1.00 0.00 C ATOM 1059 NZ LYS A 64 -3.985 5.850 12.331 1.00 0.00 N ATOM 0 H LYS A 64 -6.328 4.512 7.808 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.970 7.013 6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.663 7.896 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.046 6.234 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.149 7.015 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.998 7.513 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.277 4.623 9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.661 5.137 9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.968 6.107 11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.470 4.436 11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.265 5.871 13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.199 5.181 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.682 6.800 12.037 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.868 6.034 6.658 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.507 6.363 6.245 1.00 0.00 C ATOM 1075 C ASN A 65 -2.318 6.225 4.750 1.00 0.00 C ATOM 1076 O ASN A 65 -1.204 6.475 4.234 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.501 5.451 7.006 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.802 3.951 7.098 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.635 3.399 6.395 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.099 3.205 7.977 1.00 0.00 N ATOM 0 H ASN A 65 -3.974 5.101 7.056 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.321 7.407 6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.526 5.565 6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.409 5.834 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.399 3.645 8.574 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.343 5.861 4.004 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.195 5.592 2.570 1.00 0.00 C ATOM 1088 C GLY A 66 -2.819 4.158 2.294 1.00 0.00 C ATOM 1089 O GLY A 66 -2.226 3.839 1.241 1.00 0.00 O ATOM 0 H GLY A 66 -4.292 5.742 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.130 5.825 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.433 6.252 2.155 1.00 0.00 H new ATOM 1093 N THR A 67 -3.120 3.253 3.205 1.00 0.00 N ATOM 1094 CA THR A 67 -2.919 1.824 2.970 1.00 0.00 C ATOM 1095 C THR A 67 -4.151 1.203 2.356 1.00 0.00 C ATOM 1096 O THR A 67 -5.265 1.753 2.444 1.00 0.00 O ATOM 1097 CB THR A 67 -2.535 1.099 4.304 1.00 0.00 C ATOM 1098 OG1 THR A 67 -1.174 1.348 4.631 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.659 -0.439 4.308 1.00 0.00 C ATOM 0 H THR A 67 -3.507 3.477 4.122 1.00 0.00 H new ATOM 0 HA THR A 67 -2.096 1.704 2.266 1.00 0.00 H new ATOM 0 HB THR A 67 -3.256 1.509 5.011 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.121 2.092 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.366 -0.825 5.284 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.691 -0.721 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.007 -0.859 3.542 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.992 0.065 1.706 1.00 0.00 N ATOM 1108 CA LEU A 68 -5.123 -0.625 1.084 1.00 0.00 C ATOM 1109 C LEU A 68 -5.111 -2.101 1.403 1.00 0.00 C ATOM 1110 O LEU A 68 -4.345 -2.891 0.832 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.131 -0.393 -0.454 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.212 -1.126 -1.295 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.395 -0.187 -1.569 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.664 -1.672 -2.623 1.00 0.00 C ATOM 0 H LEU A 68 -3.095 -0.406 1.591 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.038 -0.204 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.240 0.677 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.154 -0.682 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.543 -1.982 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.147 -0.711 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.833 0.131 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.046 0.687 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.464 -2.174 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.277 -0.848 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.862 -2.382 -2.421 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.984 -2.511 2.306 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.989 -3.886 2.798 1.00 0.00 C ATOM 1128 C LYS A 69 -6.826 -4.771 1.906 1.00 0.00 C ATOM 1129 O LYS A 69 -8.068 -4.784 1.987 1.00 0.00 O ATOM 1130 CB LYS A 69 -6.514 -3.917 4.260 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.597 -5.346 4.853 1.00 0.00 C ATOM 1132 CD LYS A 69 -7.929 -5.690 5.527 1.00 0.00 C ATOM 1133 CE LYS A 69 -7.801 -7.043 6.240 1.00 0.00 C ATOM 1134 NZ LYS A 69 -9.118 -7.451 6.759 1.00 0.00 N ATOM 0 H LYS A 69 -6.702 -1.914 2.717 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.969 -4.271 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.861 -3.309 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.503 -3.460 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.414 -6.066 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.796 -5.468 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.199 -4.913 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.726 -5.731 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.421 -7.796 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.083 -6.969 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.104 -8.467 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.333 -6.912 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.847 -7.262 6.042 1.00 0.00 H new ATOM 1148 N ILE A 70 -6.180 -5.556 1.068 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.873 -6.348 0.051 1.00 0.00 C ATOM 1150 C ILE A 70 -6.642 -7.822 0.317 1.00 0.00 C ATOM 1151 O ILE A 70 -5.521 -8.308 0.515 1.00 0.00 O ATOM 1152 CB ILE A 70 -6.481 -5.906 -1.424 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -6.049 -7.039 -2.415 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -5.353 -4.829 -1.427 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.797 -6.740 -3.277 1.00 0.00 C ATOM 0 H ILE A 70 -5.166 -5.668 1.066 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.944 -6.160 0.122 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.429 -5.514 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.863 -7.947 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.884 -7.250 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.115 -4.554 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.691 -3.946 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.463 -5.233 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.590 -7.591 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.978 -5.855 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.941 -6.563 -2.626 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.749 -8.562 0.296 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.743 -9.959 0.714 1.00 0.00 C ATOM 1169 C LYS A 71 -7.707 -10.933 -0.447 1.00 0.00 C ATOM 1170 O LYS A 71 -8.152 -10.647 -1.566 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.994 -10.227 1.602 1.00 0.00 C ATOM 1172 CG LYS A 71 -9.392 -11.723 1.660 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.479 -12.064 2.683 1.00 0.00 C ATOM 1174 CE LYS A 71 -10.736 -13.577 2.662 1.00 0.00 C ATOM 1175 NZ LYS A 71 -9.761 -14.251 3.538 1.00 0.00 N ATOM 0 H LYS A 71 -8.660 -8.216 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.826 -10.127 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.797 -9.871 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.835 -9.649 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.734 -12.031 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.503 -12.311 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.169 -11.750 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.397 -11.524 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.751 -13.789 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.651 -13.957 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.934 -15.277 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.797 -14.058 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.863 -13.895 4.510 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.201 -12.124 -0.159 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.033 -13.173 -1.160 1.00 0.00 C ATOM 1191 C HIS A 72 -6.107 -12.729 -2.266 1.00 0.00 C ATOM 1192 O HIS A 72 -6.459 -11.917 -3.133 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.436 -13.473 -1.716 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.511 -14.826 -2.361 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.452 -15.495 -2.972 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -9.680 -15.572 -2.411 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.082 -16.623 -3.351 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -9.404 -16.750 -3.057 1.00 0.00 N ATOM 0 H HIS A 72 -6.894 -12.392 0.776 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.584 -14.062 -0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.165 -13.416 -0.908 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.708 -12.709 -2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.639 -15.277 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.552 -17.405 -3.874 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.032 -17.526 -3.265 1.00 0.00 H new ATOM 1207 N LEU A 73 -4.899 -13.276 -2.279 1.00 0.00 N ATOM 1208 CA LEU A 73 -3.867 -12.811 -3.208 1.00 0.00 C ATOM 1209 C LEU A 73 -3.105 -13.921 -3.906 1.00 0.00 C ATOM 1210 O LEU A 73 -1.924 -14.178 -3.637 1.00 0.00 O ATOM 1211 CB LEU A 73 -2.875 -11.872 -2.462 1.00 0.00 C ATOM 1212 CG LEU A 73 -1.694 -11.250 -3.260 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -0.388 -12.080 -3.243 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -2.129 -10.970 -4.705 1.00 0.00 C ATOM 0 H LEU A 73 -4.607 -14.036 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.392 -12.272 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.453 -11.053 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.452 -12.433 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.449 -10.321 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.377 -11.567 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.044 -12.197 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.576 -13.062 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.297 -10.534 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.432 -11.903 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.968 -10.274 -4.704 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.776 -14.621 -4.802 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.155 -15.555 -5.734 1.00 0.00 C ATOM 1228 C LYS A 74 -2.820 -14.863 -7.039 1.00 0.00 C ATOM 1229 O LYS A 74 -2.919 -13.636 -7.175 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.087 -16.774 -5.991 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.585 -16.534 -5.664 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.539 -17.583 -6.245 1.00 0.00 C ATOM 1233 CE LYS A 74 -6.146 -18.970 -5.719 1.00 0.00 C ATOM 1234 NZ LYS A 74 -6.387 -19.978 -6.767 1.00 0.00 N ATOM 0 H LYS A 74 -4.789 -14.558 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.229 -15.917 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.001 -17.064 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.731 -17.616 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.708 -16.510 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.873 -15.552 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.567 -17.352 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.495 -17.568 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.096 -18.976 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.725 -19.211 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.121 -20.919 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.395 -19.977 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.816 -19.750 -7.606 1.00 0.00 H new ATOM 1248 N THR A 75 -2.395 -15.652 -8.010 1.00 0.00 N ATOM 1249 CA THR A 75 -2.129 -15.142 -9.356 1.00 0.00 C ATOM 1250 C THR A 75 -3.327 -14.432 -9.956 1.00 0.00 C ATOM 1251 O THR A 75 -3.206 -13.517 -10.782 1.00 0.00 O ATOM 1252 CB THR A 75 -1.664 -16.306 -10.295 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.431 -16.850 -9.843 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.405 -15.934 -11.771 1.00 0.00 C ATOM 0 H THR A 75 -2.224 -16.651 -7.897 1.00 0.00 H new ATOM 0 HA THR A 75 -1.331 -14.405 -9.267 1.00 0.00 H new ATOM 0 HB THR A 75 -2.508 -16.994 -10.251 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.156 -17.577 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.089 -16.821 -12.320 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.320 -15.541 -12.213 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.623 -15.177 -11.824 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.503 -14.844 -9.518 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.756 -14.293 -10.022 1.00 0.00 C ATOM 1264 C ASP A 76 -6.098 -12.995 -9.328 1.00 0.00 C ATOM 1265 O ASP A 76 -6.722 -12.092 -9.906 1.00 0.00 O ATOM 1266 CB ASP A 76 -6.895 -15.337 -9.886 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.031 -16.361 -11.023 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -5.921 -17.146 -11.165 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -8.032 -16.457 -11.718 1.00 0.00 O ATOM 0 H ASP A 76 -4.620 -15.566 -8.807 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.635 -14.065 -11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.748 -15.882 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.840 -14.800 -9.796 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.678 -12.871 -8.084 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.853 -11.632 -7.329 1.00 0.00 C ATOM 1276 C ASP A 77 -4.595 -10.792 -7.304 1.00 0.00 C ATOM 1277 O ASP A 77 -4.511 -9.806 -6.532 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.347 -11.954 -5.893 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.815 -12.381 -5.746 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.190 -13.537 -5.880 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.641 -11.339 -5.428 1.00 0.00 O ATOM 0 H ASP A 77 -5.209 -13.615 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.610 -11.034 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.720 -12.748 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.186 -11.073 -5.272 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.596 -11.112 -8.103 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.403 -10.271 -8.221 1.00 0.00 C ATOM 1288 C GLN A 78 -2.562 -9.252 -9.324 1.00 0.00 C ATOM 1289 O GLN A 78 -2.163 -9.459 -10.479 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.182 -11.181 -8.474 1.00 0.00 C ATOM 1291 CG GLN A 78 0.131 -10.471 -8.943 1.00 0.00 C ATOM 1292 CD GLN A 78 0.740 -10.847 -10.300 1.00 0.00 C ATOM 1293 OE1 GLN A 78 1.904 -11.444 -10.351 1.00 0.00 O flip ATOM 1294 NE2 GLN A 78 0.148 -10.620 -11.343 1.00 0.00 N flip ATOM 0 H GLN A 78 -3.579 -11.949 -8.685 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.256 -9.715 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.966 -11.726 -7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.457 -11.921 -9.226 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.062 -9.398 -8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.890 -10.649 -8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.760 -10.156 -11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.561 -10.895 -12.234 1.00 0.00 H new ATOM 1303 N ASP A 79 -3.176 -8.133 -8.980 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.431 -7.055 -9.928 1.00 0.00 C ATOM 1305 C ASP A 79 -2.419 -5.944 -9.775 1.00 0.00 C ATOM 1306 O ASP A 79 -1.593 -5.925 -8.852 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.883 -6.530 -9.762 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.972 -7.576 -9.488 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -6.310 -8.294 -10.602 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.481 -7.738 -8.389 1.00 0.00 O ATOM 0 H ASP A 79 -3.513 -7.943 -8.036 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.325 -7.449 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.892 -5.809 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.153 -5.988 -10.668 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.456 -5.005 -10.702 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.650 -3.789 -10.606 1.00 0.00 C ATOM 1317 C ILE A 80 -2.472 -2.674 -9.998 1.00 0.00 C ATOM 1318 O ILE A 80 -3.699 -2.592 -10.210 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.016 -3.416 -12.008 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.342 -4.613 -12.755 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.027 -2.260 -11.915 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -0.106 -5.889 -11.920 1.00 0.00 C ATOM 0 H ILE A 80 -3.038 -5.057 -11.538 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.806 -3.960 -9.938 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.882 -3.094 -12.587 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.961 -4.874 -13.613 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.618 -4.276 -13.146 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.426 -2.050 -12.907 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.455 -1.366 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.840 -2.556 -11.252 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.366 -6.649 -12.543 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.544 -5.657 -11.076 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.061 -6.264 -11.551 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.846 -1.782 -9.256 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.561 -0.774 -8.476 1.00 0.00 C ATOM 1336 C TYR A 81 -1.870 0.567 -8.534 1.00 0.00 C ATOM 1337 O TYR A 81 -0.709 0.699 -8.945 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.656 -1.228 -6.984 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.366 -2.568 -6.755 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.696 -3.774 -6.971 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.700 -2.581 -6.338 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -3.330 -4.982 -6.689 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -5.331 -3.790 -6.057 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.646 -4.989 -6.235 1.00 0.00 C ATOM 1345 OH TYR A 81 -5.266 -6.176 -5.967 1.00 0.00 O ATOM 0 H TYR A 81 -0.831 -1.730 -9.172 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.557 -0.671 -8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.647 -1.295 -6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.178 -0.457 -6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.687 -3.770 -7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.242 -1.653 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.800 -5.914 -6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.351 -3.798 -5.701 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.222 -6.099 -6.171 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.600 1.598 -8.140 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.049 2.944 -8.023 1.00 0.00 C ATOM 1357 C LYS A 82 -2.817 3.752 -7.004 1.00 0.00 C ATOM 1358 O LYS A 82 -4.056 3.800 -7.004 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.072 3.633 -9.415 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.626 5.116 -9.377 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.035 5.940 -10.601 1.00 0.00 C ATOM 1362 CE LYS A 82 -1.061 5.654 -11.752 1.00 0.00 C ATOM 1363 NZ LYS A 82 -1.359 6.553 -12.881 1.00 0.00 N ATOM 0 H LYS A 82 -3.587 1.529 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.017 2.880 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.421 3.083 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.081 3.575 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.043 5.584 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.541 5.152 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.053 5.689 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.027 7.003 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.034 5.800 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.149 4.614 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.700 6.360 -13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.334 6.393 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.254 7.541 -12.575 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.094 4.404 -6.111 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.714 5.106 -4.990 1.00 0.00 C ATOM 1379 C VAL A 83 -2.692 6.603 -5.198 1.00 0.00 C ATOM 1380 O VAL A 83 -1.637 7.242 -5.318 1.00 0.00 O ATOM 1381 CB VAL A 83 -1.984 4.716 -3.644 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.441 4.902 -3.614 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.510 5.476 -2.402 1.00 0.00 C ATOM 0 H VAL A 83 -1.076 4.465 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.759 4.801 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.221 3.653 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.057 4.601 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.015 4.286 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.197 5.949 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.960 5.154 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.371 6.548 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.570 5.263 -2.267 1.00 0.00 H new ATOM 1393 N SER A 84 -3.872 7.193 -5.234 1.00 0.00 N ATOM 1394 CA SER A 84 -4.044 8.642 -5.284 1.00 0.00 C ATOM 1395 C SER A 84 -4.911 9.107 -4.137 1.00 0.00 C ATOM 1396 O SER A 84 -6.052 8.657 -3.957 1.00 0.00 O ATOM 1397 CB SER A 84 -4.614 9.089 -6.653 1.00 0.00 C ATOM 1398 OG SER A 84 -4.727 8.011 -7.588 1.00 0.00 O ATOM 0 H SER A 84 -4.752 6.677 -5.229 1.00 0.00 H new ATOM 0 HA SER A 84 -3.066 9.112 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.596 9.538 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.971 9.862 -7.074 1.00 0.00 H new ATOM 0 HG SER A 84 -5.093 8.348 -8.433 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.373 9.999 -3.326 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.060 10.416 -2.100 1.00 0.00 C ATOM 1406 C ILE A 85 -5.075 11.924 -2.006 1.00 0.00 C ATOM 1407 O ILE A 85 -3.999 12.569 -1.978 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.438 9.701 -0.832 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.822 8.285 -1.117 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.456 9.576 0.346 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.334 8.269 -1.517 1.00 0.00 C ATOM 0 H ILE A 85 -3.472 10.450 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.101 10.096 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.622 10.364 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.946 7.670 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.398 7.813 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.977 9.078 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.785 10.570 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.318 8.992 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.015 7.241 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.196 8.850 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.737 8.705 -0.716 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.233 12.547 -1.943 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.368 13.993 -2.112 1.00 0.00 C ATOM 1425 C TYR A 86 -6.920 14.668 -0.878 1.00 0.00 C ATOM 1426 O TYR A 86 -7.398 14.039 0.076 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.329 14.297 -3.304 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.208 13.366 -4.518 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -7.489 12.004 -4.376 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -6.830 13.866 -5.767 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -7.435 11.158 -5.481 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -6.782 13.019 -6.872 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.078 11.667 -6.727 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.018 10.839 -7.811 1.00 0.00 O ATOM 0 H TYR A 86 -7.117 12.068 -1.772 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.368 14.384 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.355 14.254 -2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.152 15.320 -3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.749 11.606 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.575 14.910 -5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.670 10.109 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.515 13.412 -7.842 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.755 11.354 -8.602 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.846 15.991 -0.877 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.394 16.815 0.195 1.00 0.00 C ATOM 1446 C ASP A 87 -8.836 17.174 -0.081 1.00 0.00 C ATOM 1447 O ASP A 87 -9.466 16.701 -1.038 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.514 18.076 0.403 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.098 18.843 -0.861 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.746 18.819 -1.897 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.938 19.547 -0.697 1.00 0.00 O ATOM 0 H ASP A 87 -6.402 16.527 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.381 16.241 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.053 18.763 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.609 17.776 0.932 1.00 0.00 H new ATOM 1456 N THR A 88 -9.395 18.009 0.778 1.00 0.00 N ATOM 1457 CA THR A 88 -10.789 18.427 0.671 1.00 0.00 C ATOM 1458 C THR A 88 -11.101 19.058 -0.668 1.00 0.00 C ATOM 1459 O THR A 88 -12.274 19.066 -1.105 1.00 0.00 O ATOM 1460 CB THR A 88 -11.151 19.420 1.831 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.321 20.572 1.775 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.976 18.886 3.269 1.00 0.00 C ATOM 0 H THR A 88 -8.899 18.418 1.570 1.00 0.00 H new ATOM 0 HA THR A 88 -11.399 17.528 0.757 1.00 0.00 H new ATOM 0 HB THR A 88 -12.210 19.612 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.560 21.183 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.257 19.661 3.982 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.613 18.013 3.413 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.935 18.606 3.429 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.116 19.601 -1.358 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.363 20.365 -2.583 1.00 0.00 C ATOM 1472 C LYS A 89 -10.122 19.551 -3.833 1.00 0.00 C ATOM 1473 O LYS A 89 -9.831 20.110 -4.913 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.461 21.632 -2.578 1.00 0.00 C ATOM 1475 CG LYS A 89 -9.809 22.642 -1.457 1.00 0.00 C ATOM 1476 CD LYS A 89 -8.842 23.823 -1.335 1.00 0.00 C ATOM 1477 CE LYS A 89 -9.361 24.797 -0.269 1.00 0.00 C ATOM 1478 NZ LYS A 89 -9.875 26.012 -0.925 1.00 0.00 N ATOM 0 H LYS A 89 -9.133 19.531 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.415 20.650 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.421 21.326 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.546 22.131 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.812 23.029 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.835 22.112 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.848 23.467 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.749 24.332 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.150 24.325 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.560 25.056 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.227 26.673 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.110 26.464 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.651 25.757 -1.569 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.239 18.240 -3.754 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.063 17.376 -4.918 1.00 0.00 C ATOM 1494 C GLY A 90 -8.658 17.449 -5.468 1.00 0.00 C ATOM 1495 O GLY A 90 -8.393 17.023 -6.611 1.00 0.00 O ATOM 0 H GLY A 90 -10.457 17.741 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.292 16.346 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.772 17.664 -5.694 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.725 17.989 -4.707 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.357 18.183 -5.184 1.00 0.00 C ATOM 1501 C LYS A 91 -5.491 16.985 -4.879 1.00 0.00 C ATOM 1502 O LYS A 91 -5.284 16.626 -3.704 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.759 19.464 -4.528 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.591 20.637 -5.526 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.371 22.014 -4.891 1.00 0.00 C ATOM 1506 CE LYS A 91 -4.718 22.944 -5.923 1.00 0.00 C ATOM 1507 NZ LYS A 91 -3.966 24.004 -5.228 1.00 0.00 N ATOM 0 H LYS A 91 -7.885 18.305 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.382 18.302 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.405 19.781 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.789 19.223 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.746 20.418 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.478 20.684 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.321 22.431 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.736 21.925 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.050 22.375 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.481 23.386 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.524 24.633 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.614 24.554 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.228 23.574 -4.635 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.941 16.356 -5.900 1.00 0.00 N ATOM 1522 CA ASN A 92 -3.979 15.272 -5.700 1.00 0.00 C ATOM 1523 C ASN A 92 -2.768 15.767 -4.943 1.00 0.00 C ATOM 1524 O ASN A 92 -1.806 16.306 -5.509 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.573 14.672 -7.077 1.00 0.00 C ATOM 1526 CG ASN A 92 -2.745 15.556 -8.015 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -3.089 16.689 -8.319 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -1.620 15.090 -8.488 1.00 0.00 N ATOM 0 H ASN A 92 -5.139 16.571 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.444 14.488 -5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.010 13.757 -6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.485 14.386 -7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.045 15.669 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.316 14.147 -8.245 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.805 15.611 -3.631 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.725 16.080 -2.763 1.00 0.00 C ATOM 1537 C VAL A 93 -0.599 15.075 -2.648 1.00 0.00 C ATOM 1538 O VAL A 93 0.498 15.385 -2.158 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.310 16.426 -1.336 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.706 17.111 -1.314 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.436 15.202 -0.396 1.00 0.00 C ATOM 0 H VAL A 93 -3.574 15.161 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.298 16.976 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.555 17.131 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.003 17.299 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.656 18.056 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.439 16.459 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.844 15.520 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.100 14.464 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.452 14.759 -0.242 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.837 13.864 -3.115 1.00 0.00 N ATOM 1552 CA LEU A 94 0.202 12.843 -3.201 1.00 0.00 C ATOM 1553 C LEU A 94 -0.257 11.678 -4.050 1.00 0.00 C ATOM 1554 O LEU A 94 -1.445 11.332 -4.106 1.00 0.00 O ATOM 1555 CB LEU A 94 0.630 12.364 -1.785 1.00 0.00 C ATOM 1556 CG LEU A 94 1.485 11.072 -1.678 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.975 11.413 -1.827 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.256 10.316 -0.359 1.00 0.00 C ATOM 0 H LEU A 94 -1.751 13.556 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 94 1.073 13.288 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.188 13.173 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.275 12.215 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 94 1.168 10.414 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.566 10.501 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.147 11.876 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.271 12.104 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.879 9.422 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.519 10.960 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.207 10.029 -0.281 1.00 0.00 H new ATOM 1570 N GLU A 95 0.697 11.041 -4.708 1.00 0.00 N ATOM 1571 CA GLU A 95 0.405 9.985 -5.673 1.00 0.00 C ATOM 1572 C GLU A 95 1.522 8.969 -5.722 1.00 0.00 C ATOM 1573 O GLU A 95 2.693 9.269 -5.450 1.00 0.00 O ATOM 1574 CB GLU A 95 0.177 10.641 -7.064 1.00 0.00 C ATOM 1575 CG GLU A 95 1.338 11.514 -7.647 1.00 0.00 C ATOM 1576 CD GLU A 95 2.002 11.062 -8.950 1.00 0.00 C ATOM 1577 OE1 GLU A 95 2.560 9.822 -8.880 1.00 0.00 O ATOM 1578 OE2 GLU A 95 2.028 11.754 -9.959 1.00 0.00 O ATOM 0 H GLU A 95 1.691 11.237 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.495 9.449 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.040 9.848 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.714 11.265 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.951 12.521 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.115 11.586 -6.886 1.00 0.00 H new ATOM 1585 N LYS A 96 1.178 7.748 -6.089 1.00 0.00 N ATOM 1586 CA LYS A 96 2.146 6.658 -6.170 1.00 0.00 C ATOM 1587 C LYS A 96 1.615 5.521 -7.012 1.00 0.00 C ATOM 1588 O LYS A 96 0.407 5.407 -7.270 1.00 0.00 O ATOM 1589 CB LYS A 96 2.497 6.171 -4.737 1.00 0.00 C ATOM 1590 CG LYS A 96 3.918 5.566 -4.617 1.00 0.00 C ATOM 1591 CD LYS A 96 5.012 6.338 -5.359 1.00 0.00 C ATOM 1592 CE LYS A 96 6.382 5.755 -4.988 1.00 0.00 C ATOM 1593 NZ LYS A 96 7.003 6.590 -3.945 1.00 0.00 N ATOM 0 H LYS A 96 0.226 7.480 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 96 3.052 7.025 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.409 7.009 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.766 5.424 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.185 5.510 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.895 4.544 -4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.855 6.271 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.970 7.395 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.269 4.731 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.024 5.716 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.748 7.179 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.281 7.202 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.419 5.979 -3.213 1.00 0.00 H new ATOM 1607 N ILE A 97 2.508 4.653 -7.449 1.00 0.00 N ATOM 1608 CA ILE A 97 2.145 3.499 -8.268 1.00 0.00 C ATOM 1609 C ILE A 97 2.483 2.207 -7.562 1.00 0.00 C ATOM 1610 O ILE A 97 3.441 2.127 -6.774 1.00 0.00 O ATOM 1611 CB ILE A 97 2.812 3.582 -9.703 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.821 5.009 -10.341 1.00 0.00 C ATOM 1613 CG2 ILE A 97 2.164 2.600 -10.727 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.582 5.142 -11.677 1.00 0.00 C ATOM 0 H ILE A 97 3.506 4.723 -7.250 1.00 0.00 H new ATOM 0 HA ILE A 97 1.065 3.515 -8.416 1.00 0.00 H new ATOM 0 HB ILE A 97 3.845 3.295 -9.505 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.789 5.322 -10.500 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.259 5.704 -9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.661 2.701 -11.692 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.272 1.576 -10.368 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.106 2.836 -10.838 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.523 6.172 -12.028 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.627 4.868 -11.530 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.134 4.480 -12.418 1.00 0.00 H new ATOM 1626 N PHE A 98 1.701 1.172 -7.807 1.00 0.00 N ATOM 1627 CA PHE A 98 1.900 -0.125 -7.162 1.00 0.00 C ATOM 1628 C PHE A 98 1.735 -1.256 -8.151 1.00 0.00 C ATOM 1629 O PHE A 98 1.349 -1.065 -9.313 1.00 0.00 O ATOM 1630 CB PHE A 98 0.868 -0.322 -6.010 1.00 0.00 C ATOM 1631 CG PHE A 98 1.337 0.067 -4.599 1.00 0.00 C ATOM 1632 CD1 PHE A 98 1.289 1.400 -4.181 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.790 -0.919 -3.716 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.722 1.746 -2.904 1.00 0.00 C ATOM 1635 CE2 PHE A 98 2.234 -0.569 -2.445 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.211 0.764 -2.044 1.00 0.00 C ATOM 0 H PHE A 98 0.913 1.200 -8.454 1.00 0.00 H new ATOM 0 HA PHE A 98 2.914 -0.139 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.023 0.260 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.570 -1.370 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.916 2.162 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.795 -1.955 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.679 2.775 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.596 -1.330 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.573 1.038 -1.064 1.00 0.00 H new ATOM 1646 N ASP A 99 2.002 -2.466 -7.690 1.00 0.00 N ATOM 1647 CA ASP A 99 1.771 -3.671 -8.481 1.00 0.00 C ATOM 1648 C ASP A 99 1.933 -4.912 -7.637 1.00 0.00 C ATOM 1649 O ASP A 99 3.057 -5.360 -7.348 1.00 0.00 O ATOM 1650 CB ASP A 99 2.697 -3.704 -9.730 1.00 0.00 C ATOM 1651 CG ASP A 99 4.043 -2.965 -9.660 1.00 0.00 C ATOM 1652 OD1 ASP A 99 4.403 -2.245 -8.741 1.00 0.00 O ATOM 1653 OD2 ASP A 99 4.831 -3.229 -10.758 1.00 0.00 O ATOM 0 H ASP A 99 2.384 -2.645 -6.761 1.00 0.00 H new ATOM 0 HA ASP A 99 0.741 -3.650 -8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.903 -4.749 -9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.136 -3.294 -10.570 1.00 0.00 H new ATOM 1658 N LEU A 100 0.826 -5.513 -7.244 1.00 0.00 N ATOM 1659 CA LEU A 100 0.859 -6.789 -6.530 1.00 0.00 C ATOM 1660 C LEU A 100 1.648 -7.821 -7.300 1.00 0.00 C ATOM 1661 O LEU A 100 1.666 -7.835 -8.543 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.585 -7.292 -6.247 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.972 -7.606 -4.777 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.510 -6.517 -3.795 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -2.491 -7.799 -4.661 1.00 0.00 C ATOM 0 H LEU A 100 -0.111 -5.143 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 100 1.361 -6.632 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.280 -6.541 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.745 -8.196 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.457 -8.527 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.808 -6.790 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.575 -6.422 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.969 -5.566 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.752 -8.019 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.999 -6.888 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.802 -8.627 -5.297 1.00 0.00 H new ATOM 1677 N LYS A 101 2.335 -8.698 -6.589 1.00 0.00 N ATOM 1678 CA LYS A 101 3.022 -9.824 -7.213 1.00 0.00 C ATOM 1679 C LYS A 101 2.694 -11.125 -6.514 1.00 0.00 C ATOM 1680 O LYS A 101 2.047 -11.169 -5.459 1.00 0.00 O ATOM 1681 CB LYS A 101 4.561 -9.590 -7.202 1.00 0.00 C ATOM 1682 CG LYS A 101 5.003 -8.289 -7.915 1.00 0.00 C ATOM 1683 CD LYS A 101 5.852 -8.500 -9.172 1.00 0.00 C ATOM 1684 CE LYS A 101 5.050 -8.062 -10.405 1.00 0.00 C ATOM 1685 NZ LYS A 101 5.633 -8.675 -11.612 1.00 0.00 N ATOM 0 H LYS A 101 2.434 -8.655 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 101 2.676 -9.895 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.907 -9.562 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.051 -10.439 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.114 -7.720 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.569 -7.680 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.776 -7.925 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.135 -9.549 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.007 -8.361 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.062 -6.976 -10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.090 -8.379 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.621 -8.368 -11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.599 -9.711 -11.526 1.00 0.00 H new ATOM 1699 N ILE A 102 3.132 -12.215 -7.116 1.00 0.00 N ATOM 1700 CA ILE A 102 3.064 -13.536 -6.499 1.00 0.00 C ATOM 1701 C ILE A 102 4.430 -14.185 -6.502 1.00 0.00 C ATOM 1702 O ILE A 102 5.227 -14.023 -7.436 1.00 0.00 O ATOM 1703 CB ILE A 102 1.976 -14.466 -7.174 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.561 -13.820 -7.321 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.808 -15.830 -6.434 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.146 -13.444 -6.002 1.00 0.00 C ATOM 0 H ILE A 102 3.546 -12.214 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 102 2.746 -13.400 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 102 2.380 -14.624 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.654 -12.921 -7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.078 -14.512 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.049 -16.427 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.757 -16.367 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.500 -15.650 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.119 -13.004 -6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.282 -14.338 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.462 -12.723 -5.456 1.00 0.00 H new ATOM 1718 N GLN A 103 4.703 -14.958 -5.470 1.00 0.00 N ATOM 1719 CA GLN A 103 6.034 -15.518 -5.255 1.00 0.00 C ATOM 1720 C GLN A 103 5.946 -16.934 -4.738 1.00 0.00 C ATOM 1721 O GLN A 103 4.983 -17.319 -4.054 1.00 0.00 O ATOM 1722 CB GLN A 103 6.799 -14.607 -4.268 1.00 0.00 C ATOM 1723 CG GLN A 103 7.852 -15.308 -3.347 1.00 0.00 C ATOM 1724 CD GLN A 103 7.729 -15.164 -1.825 1.00 0.00 C ATOM 1725 OE1 GLN A 103 8.156 -14.176 -1.248 1.00 0.00 O ATOM 1726 NE2 GLN A 103 7.146 -16.102 -1.124 1.00 0.00 N ATOM 0 H GLN A 103 4.019 -15.218 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 103 6.573 -15.558 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.309 -13.833 -4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.070 -14.104 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.833 -16.373 -3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.836 -14.937 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.783 -16.935 -1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.054 -16.001 -0.113 1.00 0.00 H new ATOM 1735 N GLU A 104 6.947 -17.740 -5.041 1.00 0.00 N ATOM 1736 CA GLU A 104 6.941 -19.151 -4.661 1.00 0.00 C ATOM 1737 C GLU A 104 8.264 -19.807 -4.987 1.00 0.00 C ATOM 1738 O GLU A 104 8.492 -20.353 -6.075 1.00 0.00 O ATOM 1739 CB GLU A 104 5.767 -19.870 -5.383 1.00 0.00 C ATOM 1740 CG GLU A 104 5.207 -19.233 -6.696 1.00 0.00 C ATOM 1741 CD GLU A 104 5.635 -19.840 -8.036 1.00 0.00 C ATOM 1742 OE1 GLU A 104 5.983 -21.154 -7.954 1.00 0.00 O ATOM 1743 OE2 GLU A 104 5.660 -19.201 -9.079 1.00 0.00 O ATOM 0 H GLU A 104 7.780 -17.445 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 104 6.799 -19.230 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.091 -20.884 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.942 -19.954 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.119 -19.270 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.490 -18.180 -6.702 1.00 0.00 H new ATOM 1750 N ARG A 105 9.158 -19.774 -4.011 1.00 0.00 N ATOM 1751 CA ARG A 105 10.481 -20.375 -4.138 1.00 0.00 C ATOM 1752 C ARG A 105 11.075 -20.671 -2.781 1.00 0.00 C ATOM 1753 O ARG A 105 11.756 -21.720 -2.559 1.00 0.00 O ATOM 1754 CB ARG A 105 11.390 -19.418 -4.957 1.00 0.00 C ATOM 1755 CG ARG A 105 12.607 -20.097 -5.639 1.00 0.00 C ATOM 1756 CD ARG A 105 13.800 -20.258 -4.687 1.00 0.00 C ATOM 1757 NE ARG A 105 14.582 -21.445 -5.115 1.00 0.00 N ATOM 1758 CZ ARG A 105 15.868 -21.651 -4.864 1.00 0.00 C ATOM 1759 NH1 ARG A 105 16.631 -20.822 -4.215 1.00 0.00 N ATOM 1760 NH2 ARG A 105 16.389 -22.745 -5.294 1.00 0.00 N ATOM 1761 OXT ARG A 105 10.830 -19.821 -1.869 1.00 0.00 O ATOM 0 H ARG A 105 8.989 -19.331 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 105 10.399 -21.327 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.785 -18.934 -5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.754 -18.632 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 105 12.310 -21.077 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.912 -19.506 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.424 -19.365 -4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.453 -20.382 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 105 14.089 -22.162 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 105 16.247 -19.946 -3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.613 -21.048 -4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 105 15.816 -23.416 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.375 -22.942 -5.122 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.324 1.775 8.088 1.00 0.00 C HETATM 1777 C2 NAG A 106 0.033 1.047 8.310 1.00 0.00 C HETATM 1778 C3 NAG A 106 -0.208 -0.440 8.711 1.00 0.00 C HETATM 1779 C4 NAG A 106 -1.193 -0.576 9.916 1.00 0.00 C HETATM 1780 C5 NAG A 106 -2.515 0.178 9.574 1.00 0.00 C HETATM 1781 C6 NAG A 106 -3.543 0.217 10.720 1.00 0.00 C HETATM 1782 C7 NAG A 106 1.965 1.901 6.998 1.00 0.00 C HETATM 1783 C8 NAG A 106 2.720 1.825 5.672 1.00 0.00 C HETATM 1784 N2 NAG A 106 0.881 1.115 7.090 1.00 0.00 N HETATM 1785 O3 NAG A 106 1.047 -1.031 9.038 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.493 -1.975 10.234 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.208 1.557 9.221 1.00 0.00 O HETATM 1788 O6 NAG A 106 -4.339 1.391 10.648 1.00 0.00 O HETATM 1789 O7 NAG A 106 2.358 2.650 7.896 1.00 0.00 O HETATM 0 HO6 NAG A 106 -3.907 2.043 10.058 1.00 0.00 H new HETATM 0 HO3 NAG A 106 0.911 -1.967 9.294 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.627 0.539 6.288 1.00 0.00 H new HETATM 0 H83 NAG A 106 3.065 0.804 5.508 1.00 0.00 H new HETATM 0 H82 NAG A 106 2.057 2.119 4.858 1.00 0.00 H new HETATM 0 H81 NAG A 106 3.577 2.498 5.702 1.00 0.00 H new HETATM 0 H62 NAG A 106 -4.183 -0.664 10.670 1.00 0.00 H new HETATM 0 H61 NAG A 106 -3.026 0.182 11.679 1.00 0.00 H new HETATM 0 H5 NAG A 106 -2.961 -0.380 8.751 1.00 0.00 H new HETATM 0 H4 NAG A 106 -0.715 -0.140 10.793 1.00 0.00 H new HETATM 0 H3 NAG A 106 -0.668 -0.954 7.867 1.00 0.00 H new HETATM 0 H2 NAG A 106 0.558 1.553 9.121 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -1.461 -2.336 11.653 1.00 0.00 C HETATM 1804 C2 NAG A 107 -2.447 -3.489 11.989 1.00 0.00 C HETATM 1805 C3 NAG A 107 -2.232 -3.923 13.473 1.00 0.00 C HETATM 1806 C4 NAG A 107 -0.749 -4.252 13.813 1.00 0.00 C HETATM 1807 C5 NAG A 107 0.190 -3.103 13.330 1.00 0.00 C HETATM 1808 C6 NAG A 107 1.690 -3.449 13.398 1.00 0.00 C HETATM 1809 C7 NAG A 107 -4.731 -3.771 11.043 1.00 0.00 C HETATM 1810 C8 NAG A 107 -6.151 -3.212 10.981 1.00 0.00 C HETATM 1811 N2 NAG A 107 -3.856 -3.060 11.770 1.00 0.00 N HETATM 1812 O3 NAG A 107 -3.011 -5.081 13.740 1.00 0.00 O HETATM 1813 O4 NAG A 107 -0.608 -4.434 15.251 1.00 0.00 O HETATM 1814 O5 NAG A 107 -0.105 -2.772 11.945 1.00 0.00 O HETATM 1815 O6 NAG A 107 1.944 -4.730 12.838 1.00 0.00 O HETATM 1816 O7 NAG A 107 -4.449 -4.811 10.442 1.00 0.00 O HETATM 0 HO6 NAG A 107 2.903 -4.926 12.891 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -2.877 -5.358 14.671 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -4.170 -2.186 12.192 1.00 0.00 H new HETATM 0 H83 NAG A 107 -6.565 -3.157 11.988 1.00 0.00 H new HETATM 0 H82 NAG A 107 -6.130 -2.214 10.543 1.00 0.00 H new HETATM 0 H81 NAG A 107 -6.773 -3.865 10.368 1.00 0.00 H new HETATM 0 H62 NAG A 107 2.265 -2.694 12.863 1.00 0.00 H new HETATM 0 H61 NAG A 107 2.025 -3.429 14.435 1.00 0.00 H new HETATM 0 H5 NAG A 107 -0.001 -2.272 14.009 1.00 0.00 H new HETATM 0 H4 NAG A 107 -0.465 -5.171 13.300 1.00 0.00 H new HETATM 0 H3 NAG A 107 -2.534 -3.076 14.089 1.00 0.00 H new HETATM 0 H2 NAG A 107 -2.252 -4.334 11.329 1.00 0.00 H new HETATM 1830 C1 BMA A 108 -0.109 -5.678 15.806 1.00 0.00 C HETATM 1831 C2 BMA A 108 1.188 -5.416 16.621 1.00 0.00 C HETATM 1832 C3 BMA A 108 1.645 -6.718 17.340 1.00 0.00 C HETATM 1833 C4 BMA A 108 0.500 -7.359 18.172 1.00 0.00 C HETATM 1834 C5 BMA A 108 -0.790 -7.532 17.315 1.00 0.00 C HETATM 1835 C6 BMA A 108 -2.001 -7.984 18.153 1.00 0.00 C HETATM 1836 O2 BMA A 108 0.964 -4.378 17.574 1.00 0.00 O HETATM 1837 O3 BMA A 108 2.782 -6.464 18.215 1.00 0.00 O HETATM 1838 O4 BMA A 108 0.933 -8.626 18.661 1.00 0.00 O HETATM 1839 O5 BMA A 108 -1.132 -6.272 16.659 1.00 0.00 O HETATM 1840 O6 BMA A 108 -3.186 -7.998 17.325 1.00 0.00 O HETATM 0 HO4 BMA A 108 0.285 -8.963 19.315 1.00 0.00 H new HETATM 0 HO2 BMA A 108 0.213 -3.821 17.281 1.00 0.00 H new HETATM 0 H62 BMA A 108 -1.821 -8.977 18.564 1.00 0.00 H new HETATM 0 H61 BMA A 108 -2.143 -7.310 18.998 1.00 0.00 H new HETATM 0 H5 BMA A 108 -0.571 -8.307 16.580 1.00 0.00 H new HETATM 0 H4 BMA A 108 0.261 -6.699 19.006 1.00 0.00 H new HETATM 0 H3 BMA A 108 1.937 -7.415 16.555 1.00 0.00 H new HETATM 0 H2 BMA A 108 1.976 -5.102 15.937 1.00 0.00 H new HETATM 1850 C1 MAN A 109 4.076 -6.253 17.578 1.00 0.00 C HETATM 1851 C2 MAN A 109 5.225 -6.498 18.591 1.00 0.00 C HETATM 1852 C3 MAN A 109 5.300 -5.348 19.634 1.00 0.00 C HETATM 1853 C4 MAN A 109 5.328 -3.944 18.977 1.00 0.00 C HETATM 1854 C5 MAN A 109 4.152 -3.790 17.966 1.00 0.00 C HETATM 1855 C6 MAN A 109 4.200 -2.488 17.144 1.00 0.00 C HETATM 1856 O2 MAN A 109 6.482 -6.577 17.860 1.00 0.00 O HETATM 1857 O3 MAN A 109 6.451 -5.518 20.455 1.00 0.00 O HETATM 1858 O4 MAN A 109 5.244 -2.952 19.996 1.00 0.00 O HETATM 1859 O5 MAN A 109 4.165 -4.904 17.021 1.00 0.00 O HETATM 1860 O6 MAN A 109 3.234 -1.550 17.602 1.00 0.00 O HETATM 0 HO6 MAN A 109 3.289 -0.734 17.063 1.00 0.00 H new HETATM 0 HO4 MAN A 109 5.263 -2.061 19.588 1.00 0.00 H new HETATM 0 HO3 MAN A 109 6.496 -4.790 21.110 1.00 0.00 H new HETATM 0 H62 MAN A 109 5.196 -2.050 17.211 1.00 0.00 H new HETATM 0 H61 MAN A 109 4.021 -2.713 16.093 1.00 0.00 H new HETATM 0 H5 MAN A 109 3.246 -3.772 18.572 1.00 0.00 H new HETATM 0 H4 MAN A 109 6.261 -3.820 18.427 1.00 0.00 H new HETATM 0 H3 MAN A 109 4.394 -5.402 20.237 1.00 0.00 H new HETATM 0 H2 MAN A 109 5.037 -7.429 19.125 1.00 0.00 H new HETATM 1871 C1 MAN A 110 7.188 -7.848 17.867 1.00 0.00 C HETATM 1872 C2 MAN A 110 8.617 -7.664 18.436 1.00 0.00 C HETATM 1873 C3 MAN A 110 9.524 -6.901 17.437 1.00 0.00 C HETATM 1874 C4 MAN A 110 9.499 -7.524 16.018 1.00 0.00 C HETATM 1875 C5 MAN A 110 8.034 -7.704 15.516 1.00 0.00 C HETATM 1876 C6 MAN A 110 7.924 -8.499 14.200 1.00 0.00 C HETATM 1877 O2 MAN A 110 9.168 -8.949 18.713 1.00 0.00 O HETATM 1878 O3 MAN A 110 10.860 -6.871 17.929 1.00 0.00 O HETATM 1879 O4 MAN A 110 10.231 -6.682 15.132 1.00 0.00 O HETATM 1880 O5 MAN A 110 7.243 -8.416 16.520 1.00 0.00 O HETATM 1881 O6 MAN A 110 6.580 -8.879 13.932 1.00 0.00 O HETATM 0 HO6 MAN A 110 6.061 -8.855 14.763 1.00 0.00 H new HETATM 0 HO4 MAN A 110 10.223 -7.069 14.232 1.00 0.00 H new HETATM 0 HO3 MAN A 110 11.431 -6.390 17.295 1.00 0.00 H new HETATM 0 HO2 MAN A 110 10.146 -8.888 18.735 1.00 0.00 H new HETATM 0 H62 MAN A 110 8.304 -7.895 13.376 1.00 0.00 H new HETATM 0 H61 MAN A 110 8.550 -9.389 14.258 1.00 0.00 H new HETATM 0 H5 MAN A 110 7.661 -6.695 15.340 1.00 0.00 H new HETATM 0 H4 MAN A 110 9.960 -8.511 16.050 1.00 0.00 H new HETATM 0 H3 MAN A 110 9.133 -5.887 17.351 1.00 0.00 H new HETATM 0 H2 MAN A 110 8.562 -7.073 19.350 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -4.423 -8.380 17.979 1.00 0.00 C HETATM 1894 C2 MAN A 111 -5.631 -7.978 17.090 1.00 0.00 C HETATM 1895 C3 MAN A 111 -5.824 -6.435 17.067 1.00 0.00 C HETATM 1896 C4 MAN A 111 -5.870 -5.826 18.496 1.00 0.00 C HETATM 1897 C5 MAN A 111 -4.634 -6.294 19.319 1.00 0.00 C HETATM 1898 C6 MAN A 111 -4.614 -5.814 20.780 1.00 0.00 C HETATM 1899 O2 MAN A 111 -6.805 -8.609 17.592 1.00 0.00 O HETATM 1900 O3 MAN A 111 -7.051 -6.111 16.360 1.00 0.00 O HETATM 1901 O4 MAN A 111 -5.895 -4.405 18.399 1.00 0.00 O HETATM 1902 O5 MAN A 111 -4.543 -7.750 19.295 1.00 0.00 O HETATM 1903 O6 MAN A 111 -3.994 -6.793 21.636 1.00 0.00 O HETATM 0 HO4 MAN A 111 -6.086 -4.020 19.280 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -7.596 -8.110 17.299 1.00 0.00 H new HETATM 0 H62 MAN A 111 -4.073 -4.870 20.849 1.00 0.00 H new HETATM 0 H61 MAN A 111 -5.633 -5.623 21.118 1.00 0.00 H new HETATM 0 H5 MAN A 111 -3.774 -5.833 18.834 1.00 0.00 H new HETATM 0 H4 MAN A 111 -6.770 -6.167 19.008 1.00 0.00 H new HETATM 0 H3 MAN A 111 -4.965 -6.003 16.554 1.00 0.00 H new HETATM 0 H2 MAN A 111 -5.440 -8.304 16.068 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -6.924 -5.478 15.060 1.00 0.00 C HETATM 1914 C2 MAN A 112 -7.522 -4.049 15.103 1.00 0.00 C HETATM 1915 C3 MAN A 112 -9.071 -4.095 15.182 1.00 0.00 C HETATM 1916 C4 MAN A 112 -9.699 -5.002 14.091 1.00 0.00 C HETATM 1917 C5 MAN A 112 -9.030 -6.410 14.092 1.00 0.00 C HETATM 1918 C6 MAN A 112 -9.469 -7.307 12.919 1.00 0.00 C HETATM 1919 O2 MAN A 112 -7.110 -3.345 13.934 1.00 0.00 O HETATM 1920 O3 MAN A 112 -9.599 -2.778 15.076 1.00 0.00 O HETATM 1921 O4 MAN A 112 -11.098 -5.116 14.333 1.00 0.00 O HETATM 1922 O5 MAN A 112 -7.577 -6.272 14.020 1.00 0.00 O HETATM 1923 O6 MAN A 112 -10.690 -7.977 13.210 1.00 0.00 O HETATM 0 HO6 MAN A 112 -10.945 -8.538 12.448 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -11.503 -5.687 13.647 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -10.577 -2.813 15.125 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -7.835 -2.758 13.633 1.00 0.00 H new HETATM 0 H62 MAN A 112 -9.589 -6.702 12.020 1.00 0.00 H new HETATM 0 H61 MAN A 112 -8.691 -8.040 12.708 1.00 0.00 H new HETATM 0 H5 MAN A 112 -9.350 -6.885 15.019 1.00 0.00 H new HETATM 0 H4 MAN A 112 -9.533 -4.555 13.111 1.00 0.00 H new HETATM 0 H3 MAN A 112 -9.330 -4.527 16.148 1.00 0.00 H new HETATM 0 H2 MAN A 112 -7.160 -3.537 15.995 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -4.771 -7.218 22.785 1.00 0.00 C HETATM 1936 C2 MAN A 113 -4.724 -6.124 23.883 1.00 0.00 C HETATM 1937 C3 MAN A 113 -3.319 -6.068 24.544 1.00 0.00 C HETATM 1938 C4 MAN A 113 -2.806 -7.458 25.004 1.00 0.00 C HETATM 1939 C5 MAN A 113 -2.911 -8.497 23.848 1.00 0.00 C HETATM 1940 C6 MAN A 113 -2.597 -9.945 24.270 1.00 0.00 C HETATM 1941 O2 MAN A 113 -5.746 -6.424 24.873 1.00 0.00 O HETATM 1942 O3 MAN A 113 -3.340 -5.172 25.649 1.00 0.00 O HETATM 1943 O4 MAN A 113 -1.454 -7.329 25.435 1.00 0.00 O HETATM 1944 O5 MAN A 113 -4.263 -8.487 23.297 1.00 0.00 O HETATM 1945 O6 MAN A 113 -1.483 -10.000 25.153 1.00 0.00 O HETATM 0 HO6 MAN A 113 -1.310 -10.931 25.404 1.00 0.00 H new HETATM 0 HO4 MAN A 113 -1.047 -8.218 25.505 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -2.452 -5.142 26.063 1.00 0.00 H new HETATM 0 H62 MAN A 113 -3.470 -10.381 24.756 1.00 0.00 H new HETATM 0 H61 MAN A 113 -2.391 -10.547 23.385 1.00 0.00 H new HETATM 0 H5 MAN A 113 -2.162 -8.192 23.117 1.00 0.00 H new HETATM 0 H4 MAN A 113 -3.423 -7.816 25.828 1.00 0.00 H new HETATM 0 H3 MAN A 113 -2.626 -5.712 23.781 1.00 0.00 H new HETATM 0 H2 MAN A 113 -4.915 -5.147 23.439 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -6.326 -5.299 25.588 1.00 0.00 C HETATM 1957 C2 MAN A 114 -6.386 -5.602 27.106 1.00 0.00 C HETATM 1958 C3 MAN A 114 -7.490 -6.644 27.425 1.00 0.00 C HETATM 1959 C4 MAN A 114 -8.864 -6.267 26.813 1.00 0.00 C HETATM 1960 C5 MAN A 114 -8.722 -5.957 25.293 1.00 0.00 C HETATM 1961 C6 MAN A 114 -10.003 -5.396 24.645 1.00 0.00 C HETATM 1962 O2 MAN A 114 -6.645 -4.387 27.805 1.00 0.00 O HETATM 1963 O3 MAN A 114 -7.614 -6.795 28.835 1.00 0.00 O HETATM 1964 O4 MAN A 114 -9.774 -7.343 27.019 1.00 0.00 O HETATM 1965 O5 MAN A 114 -7.661 -4.974 25.082 1.00 0.00 O HETATM 1966 O6 MAN A 114 -10.624 -4.427 25.480 1.00 0.00 O HETATM 0 HO6 MAN A 114 -11.433 -4.088 25.042 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -10.646 -7.112 26.636 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -8.313 -7.452 29.033 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -7.195 -4.574 28.594 1.00 0.00 H new HETATM 0 H62 MAN A 114 -9.759 -4.947 23.682 1.00 0.00 H new HETATM 0 H61 MAN A 114 -10.700 -6.210 24.449 1.00 0.00 H new HETATM 0 H5 MAN A 114 -8.497 -6.915 24.823 1.00 0.00 H new HETATM 0 H4 MAN A 114 -9.243 -5.370 27.303 1.00 0.00 H new HETATM 0 H3 MAN A 114 -7.185 -7.587 26.970 1.00 0.00 H new HETATM 0 H2 MAN A 114 -5.432 -6.022 27.423 1.00 0.00 H new