USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1108 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN : amide:sc= -9.78! C(o=-22!,f=-29!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 99 GLN : amide:sc= -12! C(o=-22!,f=-19!) USER MOD Set 2.1: A 89 THR OG1 : rot -49:sc= 0.102 USER MOD Set 2.2: A 97 CYS SG : rot 139:sc= 0.702 USER MOD Set 3.1: A 84 LYS NZ :NH3+ 147:sc= 0 (180deg=0) USER MOD Set 3.2: A 85 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-1.1) USER MOD Set 4.1: A 73 GLN : amide:sc= -2.57! C(o=-2.6!,f=-8.2!) USER MOD Set 4.2: A 120 ASN : amide:sc= -0.0715 K(o=-2.6,f=-5.7) USER MOD Set 5.1: A 28 GLN : amide:sc= -5.3! C(o=-6.7!,f=-8.6!) USER MOD Set 5.2: A 32 GLN : amide:sc= -1.42 K(o=-6.7,f=-5.8) USER MOD Set 6.1: A 24 ASN : amide:sc= -2.86! C(o=-7.4!,f=-7.2!) USER MOD Set 6.2: A 27 SER OG : rot -156:sc= -4.53! USER MOD Set 7.1: A 18 THR OG1 : rot 180:sc= -1.5! USER MOD Set 7.2: A 30 CYS SG : rot 65:sc= -13.6! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00615) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 136:sc= -1.06 (180deg=-3.63!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 10 GLN : amide:sc=-0.000467 X(o=-0.00047,f=-0.0086) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -6.32! C(o=-6.3!,f=-11!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.434 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -119:sc= -7.35! (180deg=-12!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-4.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.864 USER MOD Single : A 55 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 57 GLN : amide:sc= -3.53! C(o=-3.5!,f=-4.4!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -155:sc= -5.4! (180deg=-8.69!) USER MOD Single : A 61 THR OG1 : rot -89:sc= 0.568 USER MOD Single : A 62 SER OG : rot 78:sc= 0.222 USER MOD Single : A 63 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 69 SER OG : rot -171:sc= -1.63! USER MOD Single : A 71 GLN : amide:sc= -5.77! C(o=-5.8!,f=-4.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.195 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -70:sc= -9.68! USER MOD Single : A 92 MET CE :methyl -142:sc= -24.3! (180deg=-31.9!) USER MOD Single : A 95 GLN : amide:sc= -0.519! C(o=-0.52!,f=-7.7!) USER MOD Single : A 104 ASN : amide:sc= -2.45! C(o=-2.4!,f=-1.7!) USER MOD Single : A 106 LYS NZ :NH3+ 130:sc= -1.77 (180deg=-3.14!) USER MOD Single : A 115 ASN : amide:sc= -5.22! C(o=-5.2!,f=-5.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 156:sc= -0.0922 (180deg=-0.538) USER MOD Single : A 128 TYR OH : rot 179:sc= 0.811 USER MOD Single : A 131 GLN : amide:sc= -5.61 K(o=-5.6,f=-8.8!) USER MOD Single : A 133 LYS NZ :NH3+ -162:sc= -0.908 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.346 -8.960 15.546 1.00 0.00 N ATOM 2 CA MET A 1 21.684 -7.790 16.339 1.00 0.00 C ATOM 3 C MET A 1 21.839 -6.553 15.452 1.00 0.00 C ATOM 4 O MET A 1 21.247 -5.510 15.727 1.00 0.00 O ATOM 5 CB MET A 1 22.991 -8.044 17.093 1.00 0.00 C ATOM 6 CG MET A 1 22.811 -7.812 18.595 1.00 0.00 C ATOM 7 SD MET A 1 23.366 -9.244 19.504 1.00 0.00 S ATOM 8 CE MET A 1 22.467 -9.010 21.029 1.00 0.00 C ATOM 0 H1 MET A 1 21.230 -9.782 16.172 1.00 0.00 H new ATOM 0 H2 MET A 1 20.458 -8.787 15.033 1.00 0.00 H new ATOM 0 H3 MET A 1 22.108 -9.149 14.864 1.00 0.00 H new ATOM 0 HA MET A 1 20.875 -7.608 17.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.324 -9.067 16.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.770 -7.385 16.710 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.375 -6.933 18.906 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.763 -7.613 18.818 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.699 -9.823 21.717 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.755 -8.060 21.479 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.397 -9.004 20.823 1.00 0.00 H new ATOM 18 N SER A 2 22.636 -6.710 14.406 1.00 0.00 N ATOM 19 CA SER A 2 22.876 -5.619 13.477 1.00 0.00 C ATOM 20 C SER A 2 22.507 -6.050 12.056 1.00 0.00 C ATOM 21 O SER A 2 22.855 -7.149 11.627 1.00 0.00 O ATOM 22 CB SER A 2 24.335 -5.160 13.530 1.00 0.00 C ATOM 23 OG SER A 2 24.662 -4.295 12.447 1.00 0.00 O ATOM 0 H SER A 2 23.124 -7.577 14.181 1.00 0.00 H new ATOM 0 HA SER A 2 22.248 -4.778 13.769 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.519 -4.646 14.473 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.990 -6.031 13.509 1.00 0.00 H new ATOM 0 HG SER A 2 25.601 -4.023 12.518 1.00 0.00 H new ATOM 29 N PHE A 3 21.807 -5.162 11.365 1.00 0.00 N ATOM 30 CA PHE A 3 21.387 -5.438 10.002 1.00 0.00 C ATOM 31 C PHE A 3 21.137 -4.139 9.232 1.00 0.00 C ATOM 32 O PHE A 3 20.953 -3.082 9.834 1.00 0.00 O ATOM 33 CB PHE A 3 20.078 -6.225 10.088 1.00 0.00 C ATOM 34 CG PHE A 3 20.249 -7.664 10.580 1.00 0.00 C ATOM 35 CD1 PHE A 3 20.941 -8.562 9.829 1.00 0.00 C ATOM 36 CD2 PHE A 3 19.708 -8.044 11.769 1.00 0.00 C ATOM 37 CE1 PHE A 3 21.099 -9.897 10.287 1.00 0.00 C ATOM 38 CE2 PHE A 3 19.867 -9.379 12.226 1.00 0.00 C ATOM 39 CZ PHE A 3 20.559 -10.278 11.475 1.00 0.00 C ATOM 0 H PHE A 3 21.520 -4.251 11.724 1.00 0.00 H new ATOM 0 HA PHE A 3 22.164 -5.996 9.479 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.395 -5.702 10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.610 -6.241 9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 3 21.370 -8.260 8.885 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.158 -7.331 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 3 21.649 -10.610 9.691 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.438 -9.681 13.170 1.00 0.00 H new ATOM 0 HZ PHE A 3 20.679 -11.294 11.822 1.00 0.00 H new ATOM 49 N TRP A 4 21.140 -4.261 7.913 1.00 0.00 N ATOM 50 CA TRP A 4 20.916 -3.110 7.055 1.00 0.00 C ATOM 51 C TRP A 4 19.405 -2.907 6.921 1.00 0.00 C ATOM 52 O TRP A 4 18.908 -1.794 7.086 1.00 0.00 O ATOM 53 CB TRP A 4 21.617 -3.287 5.707 1.00 0.00 C ATOM 54 CG TRP A 4 23.142 -3.360 5.803 1.00 0.00 C ATOM 55 CD1 TRP A 4 23.993 -2.393 6.172 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.968 -4.507 5.509 1.00 0.00 C ATOM 57 NE1 TRP A 4 25.302 -2.830 6.138 1.00 0.00 N ATOM 58 CE2 TRP A 4 25.286 -4.156 5.722 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.613 -5.797 5.078 1.00 0.00 C ATOM 60 CZ2 TRP A 4 26.355 -5.040 5.530 1.00 0.00 C ATOM 61 CZ3 TRP A 4 24.693 -6.668 4.890 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.025 -6.331 5.100 1.00 0.00 C ATOM 0 H TRP A 4 21.294 -5.139 7.417 1.00 0.00 H new ATOM 0 HA TRP A 4 21.350 -2.212 7.493 1.00 0.00 H new ATOM 0 HB2 TRP A 4 21.249 -4.198 5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 4 21.344 -2.457 5.055 1.00 0.00 H new ATOM 0 HD1 TRP A 4 23.692 -1.396 6.460 1.00 0.00 H new ATOM 0 HE1 TRP A 4 26.128 -2.281 6.375 1.00 0.00 H new ATOM 0 HE3 TRP A 4 22.589 -6.093 4.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 27.378 -4.742 5.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 24.476 -7.673 4.558 1.00 0.00 H new ATOM 0 HH2 TRP A 4 26.802 -7.062 4.932 1.00 0.00 H new ATOM 73 N LYS A 5 18.718 -3.999 6.623 1.00 0.00 N ATOM 74 CA LYS A 5 17.274 -3.955 6.465 1.00 0.00 C ATOM 75 C LYS A 5 16.614 -3.960 7.845 1.00 0.00 C ATOM 76 O LYS A 5 15.503 -3.457 8.007 1.00 0.00 O ATOM 77 CB LYS A 5 16.800 -5.088 5.552 1.00 0.00 C ATOM 78 CG LYS A 5 17.703 -5.218 4.325 1.00 0.00 C ATOM 79 CD LYS A 5 17.683 -3.935 3.490 1.00 0.00 C ATOM 80 CE LYS A 5 19.096 -3.379 3.305 1.00 0.00 C ATOM 81 NZ LYS A 5 19.961 -4.374 2.633 1.00 0.00 N ATOM 0 H LYS A 5 19.134 -4.920 6.487 1.00 0.00 H new ATOM 0 HA LYS A 5 16.973 -3.031 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.795 -6.027 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.774 -4.899 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.723 -5.434 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.374 -6.059 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.238 -4.138 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.056 -3.189 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.058 -2.463 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.519 -3.116 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.526 -3.903 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.596 -4.810 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.370 -5.110 2.196 1.00 0.00 H new ATOM 95 N THR A 6 17.326 -4.532 8.804 1.00 0.00 N ATOM 96 CA THR A 6 16.823 -4.609 10.165 1.00 0.00 C ATOM 97 C THR A 6 15.302 -4.773 10.164 1.00 0.00 C ATOM 98 O THR A 6 14.568 -3.787 10.119 1.00 0.00 O ATOM 99 CB THR A 6 17.299 -3.364 10.916 1.00 0.00 C ATOM 100 OG1 THR A 6 16.815 -3.552 12.243 1.00 0.00 O ATOM 101 CG2 THR A 6 16.597 -2.090 10.441 1.00 0.00 C ATOM 0 H THR A 6 18.248 -4.947 8.666 1.00 0.00 H new ATOM 0 HA THR A 6 17.212 -5.487 10.681 1.00 0.00 H new ATOM 0 HB THR A 6 18.376 -3.254 10.790 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.081 -2.790 12.799 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.971 -1.236 11.006 1.00 0.00 H new ATOM 0 HG22 THR A 6 16.796 -1.939 9.380 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.523 -2.186 10.598 1.00 0.00 H new ATOM 109 N LEU A 7 14.874 -6.026 10.213 1.00 0.00 N ATOM 110 CA LEU A 7 13.454 -6.332 10.218 1.00 0.00 C ATOM 111 C LEU A 7 13.225 -7.661 10.941 1.00 0.00 C ATOM 112 O LEU A 7 12.338 -7.766 11.787 1.00 0.00 O ATOM 113 CB LEU A 7 12.895 -6.303 8.794 1.00 0.00 C ATOM 114 CG LEU A 7 11.414 -6.661 8.647 1.00 0.00 C ATOM 115 CD1 LEU A 7 10.528 -5.438 8.893 1.00 0.00 C ATOM 116 CD2 LEU A 7 11.138 -7.304 7.286 1.00 0.00 C ATOM 0 H LEU A 7 15.486 -6.841 10.250 1.00 0.00 H new ATOM 0 HA LEU A 7 12.902 -5.570 10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.049 -5.305 8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.477 -6.992 8.182 1.00 0.00 H new ATOM 0 HG LEU A 7 11.163 -7.399 9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.481 -5.719 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.698 -5.062 9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.773 -4.660 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.079 -7.549 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.409 -6.607 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.729 -8.215 7.187 1.00 0.00 H new ATOM 128 N GLN A 8 14.040 -8.641 10.583 1.00 0.00 N ATOM 129 CA GLN A 8 13.938 -9.959 11.187 1.00 0.00 C ATOM 130 C GLN A 8 12.840 -10.774 10.501 1.00 0.00 C ATOM 131 O GLN A 8 11.680 -10.366 10.481 1.00 0.00 O ATOM 132 CB GLN A 8 13.683 -9.853 12.692 1.00 0.00 C ATOM 133 CG GLN A 8 14.176 -11.104 13.421 1.00 0.00 C ATOM 134 CD GLN A 8 14.137 -10.906 14.938 1.00 0.00 C ATOM 135 OE1 GLN A 8 13.319 -10.177 15.474 1.00 0.00 O ATOM 136 NE2 GLN A 8 15.065 -11.594 15.597 1.00 0.00 N ATOM 0 H GLN A 8 14.775 -8.549 9.882 1.00 0.00 H new ATOM 0 HA GLN A 8 14.887 -10.476 11.048 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.189 -8.973 13.089 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.617 -9.717 12.875 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.556 -11.957 13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.194 -11.335 13.107 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.720 -12.186 15.086 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.122 -11.529 16.613 1.00 0.00 H new ATOM 145 N ARG A 9 13.245 -11.911 9.955 1.00 0.00 N ATOM 146 CA ARG A 9 12.311 -12.787 9.269 1.00 0.00 C ATOM 147 C ARG A 9 11.664 -12.055 8.091 1.00 0.00 C ATOM 148 O ARG A 9 10.725 -11.282 8.276 1.00 0.00 O ATOM 149 CB ARG A 9 11.216 -13.276 10.220 1.00 0.00 C ATOM 150 CG ARG A 9 11.730 -14.407 11.113 1.00 0.00 C ATOM 151 CD ARG A 9 10.688 -15.519 11.244 1.00 0.00 C ATOM 152 NE ARG A 9 10.880 -16.522 10.172 1.00 0.00 N ATOM 153 CZ ARG A 9 10.042 -17.540 9.937 1.00 0.00 C ATOM 154 NH1 ARG A 9 8.949 -17.698 10.697 1.00 0.00 N ATOM 155 NH2 ARG A 9 10.296 -18.402 8.943 1.00 0.00 N ATOM 0 H ARG A 9 14.208 -12.246 9.974 1.00 0.00 H new ATOM 0 HA ARG A 9 12.871 -13.648 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.870 -12.448 10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.358 -13.624 9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.651 -14.814 10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.973 -14.014 12.100 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.775 -15.997 12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.685 -15.097 11.183 1.00 0.00 H new ATOM 0 HE ARG A 9 11.702 -16.432 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.755 -17.043 11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.311 -18.473 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.128 -18.283 8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.657 -19.177 8.765 1.00 0.00 H new ATOM 169 N GLN A 10 12.192 -12.325 6.906 1.00 0.00 N ATOM 170 CA GLN A 10 11.678 -11.702 5.698 1.00 0.00 C ATOM 171 C GLN A 10 10.502 -12.509 5.144 1.00 0.00 C ATOM 172 O GLN A 10 10.560 -13.737 5.086 1.00 0.00 O ATOM 173 CB GLN A 10 12.781 -11.549 4.649 1.00 0.00 C ATOM 174 CG GLN A 10 13.256 -12.914 4.149 1.00 0.00 C ATOM 175 CD GLN A 10 14.784 -12.991 4.131 1.00 0.00 C ATOM 176 OE1 GLN A 10 15.446 -12.927 5.153 1.00 0.00 O ATOM 177 NE2 GLN A 10 15.304 -13.129 2.914 1.00 0.00 N ATOM 0 H GLN A 10 12.971 -12.967 6.757 1.00 0.00 H new ATOM 0 HA GLN A 10 11.321 -10.704 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.411 -10.959 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.621 -11.002 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.856 -13.699 4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.868 -13.093 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.691 -13.176 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.315 -13.188 2.795 1.00 0.00 H new ATOM 186 N PRO A 11 9.436 -11.768 4.741 1.00 0.00 N ATOM 187 CA PRO A 11 8.248 -12.402 4.194 1.00 0.00 C ATOM 188 C PRO A 11 8.495 -12.887 2.764 1.00 0.00 C ATOM 189 O PRO A 11 9.522 -12.570 2.166 1.00 0.00 O ATOM 190 CB PRO A 11 7.161 -11.343 4.282 1.00 0.00 C ATOM 191 CG PRO A 11 7.885 -10.015 4.441 1.00 0.00 C ATOM 192 CD PRO A 11 9.332 -10.313 4.796 1.00 0.00 C ATOM 0 HA PRO A 11 7.958 -13.298 4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.540 -11.345 3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.500 -11.531 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.829 -9.437 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.416 -9.416 5.221 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.018 -9.840 4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.582 -9.935 5.787 1.00 0.00 H new ATOM 200 N ARG A 12 7.536 -13.648 2.257 1.00 0.00 N ATOM 201 CA ARG A 12 7.637 -14.180 0.909 1.00 0.00 C ATOM 202 C ARG A 12 6.727 -13.397 -0.040 1.00 0.00 C ATOM 203 O ARG A 12 7.187 -12.863 -1.048 1.00 0.00 O ATOM 204 CB ARG A 12 7.250 -15.659 0.870 1.00 0.00 C ATOM 205 CG ARG A 12 8.160 -16.439 -0.082 1.00 0.00 C ATOM 206 CD ARG A 12 8.326 -17.888 0.383 1.00 0.00 C ATOM 207 NE ARG A 12 8.561 -18.769 -0.783 1.00 0.00 N ATOM 208 CZ ARG A 12 9.763 -18.978 -1.336 1.00 0.00 C ATOM 209 NH1 ARG A 12 10.847 -18.371 -0.834 1.00 0.00 N ATOM 210 NH2 ARG A 12 9.882 -19.794 -2.392 1.00 0.00 N ATOM 0 H ARG A 12 6.685 -13.909 2.756 1.00 0.00 H new ATOM 0 HA ARG A 12 8.674 -14.079 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.317 -16.083 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.213 -15.759 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.740 -16.422 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.136 -15.956 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.161 -17.962 1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.434 -18.211 0.920 1.00 0.00 H new ATOM 0 HE ARG A 12 7.757 -19.247 -1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.757 -17.749 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.762 -18.531 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.057 -20.256 -2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.797 -19.953 -2.813 1.00 0.00 H new ATOM 224 N THR A 13 5.451 -13.354 0.316 1.00 0.00 N ATOM 225 CA THR A 13 4.473 -12.645 -0.491 1.00 0.00 C ATOM 226 C THR A 13 4.305 -11.210 0.012 1.00 0.00 C ATOM 227 O THR A 13 3.838 -10.990 1.128 1.00 0.00 O ATOM 228 CB THR A 13 3.172 -13.451 -0.473 1.00 0.00 C ATOM 229 OG1 THR A 13 3.476 -14.618 -1.233 1.00 0.00 O ATOM 230 CG2 THR A 13 2.052 -12.773 -1.264 1.00 0.00 C ATOM 0 H THR A 13 5.072 -13.799 1.152 1.00 0.00 H new ATOM 0 HA THR A 13 4.804 -12.556 -1.526 1.00 0.00 H new ATOM 0 HB THR A 13 2.851 -13.598 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.687 -15.198 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.152 -13.386 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.845 -11.793 -0.835 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.360 -12.656 -2.303 1.00 0.00 H new ATOM 238 N ILE A 14 4.697 -10.270 -0.837 1.00 0.00 N ATOM 239 CA ILE A 14 4.596 -8.862 -0.492 1.00 0.00 C ATOM 240 C ILE A 14 3.340 -8.272 -1.138 1.00 0.00 C ATOM 241 O ILE A 14 3.256 -8.171 -2.361 1.00 0.00 O ATOM 242 CB ILE A 14 5.884 -8.126 -0.867 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.116 -8.953 -0.496 1.00 0.00 C ATOM 244 CG2 ILE A 14 5.920 -6.731 -0.239 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.135 -9.267 1.001 1.00 0.00 C ATOM 0 H ILE A 14 5.085 -10.456 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 14 4.488 -8.740 0.586 1.00 0.00 H new ATOM 0 HB ILE A 14 5.899 -7.993 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.120 -9.882 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.020 -8.408 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.845 -6.229 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.069 -6.150 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.871 -6.819 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.021 -9.856 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.156 -8.336 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.242 -9.833 1.265 1.00 0.00 H new ATOM 257 N SER A 15 2.396 -7.899 -0.287 1.00 0.00 N ATOM 258 CA SER A 15 1.149 -7.322 -0.759 1.00 0.00 C ATOM 259 C SER A 15 1.167 -5.804 -0.563 1.00 0.00 C ATOM 260 O SER A 15 0.937 -5.315 0.543 1.00 0.00 O ATOM 261 CB SER A 15 -0.051 -7.937 -0.036 1.00 0.00 C ATOM 262 OG SER A 15 -0.910 -8.640 -0.930 1.00 0.00 O ATOM 0 H SER A 15 2.470 -7.985 0.727 1.00 0.00 H new ATOM 0 HA SER A 15 1.050 -7.543 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.302 -8.618 0.738 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.615 -7.150 0.465 1.00 0.00 H new ATOM 0 HG SER A 15 -1.663 -9.019 -0.430 1.00 0.00 H new ATOM 268 N LEU A 16 1.441 -5.102 -1.652 1.00 0.00 N ATOM 269 CA LEU A 16 1.492 -3.650 -1.613 1.00 0.00 C ATOM 270 C LEU A 16 0.575 -3.083 -2.698 1.00 0.00 C ATOM 271 O LEU A 16 0.639 -3.504 -3.852 1.00 0.00 O ATOM 272 CB LEU A 16 2.938 -3.162 -1.712 1.00 0.00 C ATOM 273 CG LEU A 16 3.170 -1.922 -2.578 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.059 -0.643 -1.745 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.506 -2.011 -3.317 1.00 0.00 C ATOM 0 H LEU A 16 1.630 -5.511 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 16 1.121 -3.281 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.299 -2.950 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.549 -3.975 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 16 2.386 -1.882 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.228 0.223 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.064 -0.581 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.806 -0.660 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.646 -1.117 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.318 -2.088 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.508 -2.891 -3.960 1.00 0.00 H new ATOM 287 N PHE A 17 -0.256 -2.135 -2.291 1.00 0.00 N ATOM 288 CA PHE A 17 -1.184 -1.505 -3.214 1.00 0.00 C ATOM 289 C PHE A 17 -0.633 -0.171 -3.721 1.00 0.00 C ATOM 290 O PHE A 17 0.228 0.432 -3.083 1.00 0.00 O ATOM 291 CB PHE A 17 -2.479 -1.248 -2.441 1.00 0.00 C ATOM 292 CG PHE A 17 -3.053 -2.490 -1.756 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.930 -3.289 -2.421 1.00 0.00 C ATOM 294 CD2 PHE A 17 -2.685 -2.796 -0.483 1.00 0.00 C ATOM 295 CE1 PHE A 17 -4.462 -4.442 -1.786 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.217 -3.949 0.152 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.095 -4.748 -0.513 1.00 0.00 C ATOM 0 H PHE A 17 -0.306 -1.788 -1.333 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.347 -2.151 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.294 -0.483 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.225 -0.846 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.222 -3.046 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.988 -2.162 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.158 -5.076 -2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.925 -4.192 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.500 -5.625 -0.030 1.00 0.00 H new ATOM 307 N THR A 18 -1.153 0.251 -4.865 1.00 0.00 N ATOM 308 CA THR A 18 -0.723 1.502 -5.465 1.00 0.00 C ATOM 309 C THR A 18 -1.837 2.548 -5.372 1.00 0.00 C ATOM 310 O THR A 18 -3.017 2.213 -5.465 1.00 0.00 O ATOM 311 CB THR A 18 -0.282 1.211 -6.901 1.00 0.00 C ATOM 312 OG1 THR A 18 1.068 0.775 -6.767 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.180 2.480 -7.751 1.00 0.00 C ATOM 0 H THR A 18 -1.868 -0.251 -5.391 1.00 0.00 H new ATOM 0 HA THR A 18 0.126 1.927 -4.929 1.00 0.00 H new ATOM 0 HB THR A 18 -0.986 0.519 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.433 0.563 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.136 2.217 -8.760 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.153 2.970 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.549 3.158 -7.307 1.00 0.00 H new ATOM 321 N ASN A 19 -1.422 3.793 -5.189 1.00 0.00 N ATOM 322 CA ASN A 19 -2.369 4.889 -5.082 1.00 0.00 C ATOM 323 C ASN A 19 -1.894 6.055 -5.952 1.00 0.00 C ATOM 324 O ASN A 19 -1.809 7.189 -5.484 1.00 0.00 O ATOM 325 CB ASN A 19 -2.474 5.388 -3.640 1.00 0.00 C ATOM 326 CG ASN A 19 -3.936 5.568 -3.227 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.844 4.980 -3.791 1.00 0.00 O ATOM 328 ND2 ASN A 19 -4.112 6.412 -2.214 1.00 0.00 N ATOM 0 H ASN A 19 -0.442 4.067 -5.112 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.343 4.526 -5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.988 4.679 -2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.945 6.336 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.052 6.600 -1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.307 6.871 -1.787 1.00 0.00 H new ATOM 335 N ASP A 20 -1.596 5.735 -7.203 1.00 0.00 N ATOM 336 CA ASP A 20 -1.131 6.741 -8.142 1.00 0.00 C ATOM 337 C ASP A 20 0.025 7.523 -7.516 1.00 0.00 C ATOM 338 O ASP A 20 0.242 7.455 -6.307 1.00 0.00 O ATOM 339 CB ASP A 20 -2.244 7.734 -8.481 1.00 0.00 C ATOM 340 CG ASP A 20 -1.870 8.796 -9.517 1.00 0.00 C ATOM 341 OD1 ASP A 20 -1.124 9.724 -9.136 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.339 8.657 -10.667 1.00 0.00 O ATOM 0 H ASP A 20 -1.668 4.793 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.813 6.231 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.107 7.178 -8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.554 8.236 -7.564 1.00 0.00 H new ATOM 347 N ILE A 21 0.738 8.247 -8.366 1.00 0.00 N ATOM 348 CA ILE A 21 1.867 9.041 -7.910 1.00 0.00 C ATOM 349 C ILE A 21 2.156 10.142 -8.932 1.00 0.00 C ATOM 350 O ILE A 21 1.770 11.293 -8.735 1.00 0.00 O ATOM 351 CB ILE A 21 3.070 8.142 -7.618 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.700 6.665 -7.767 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.661 8.449 -6.240 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.274 6.348 -9.202 1.00 0.00 C ATOM 0 H ILE A 21 0.556 8.301 -9.368 1.00 0.00 H new ATOM 0 HA ILE A 21 1.630 9.535 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 21 3.844 8.356 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.552 6.044 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.890 6.418 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.515 7.797 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.985 9.489 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.904 8.280 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.016 5.292 -9.280 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.407 6.953 -9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.095 6.573 -9.883 1.00 0.00 H new ATOM 366 N ALA A 22 2.832 9.750 -10.002 1.00 0.00 N ATOM 367 CA ALA A 22 3.177 10.690 -11.055 1.00 0.00 C ATOM 368 C ALA A 22 3.153 9.969 -12.404 1.00 0.00 C ATOM 369 O ALA A 22 2.087 9.767 -12.985 1.00 0.00 O ATOM 370 CB ALA A 22 4.540 11.316 -10.754 1.00 0.00 C ATOM 0 H ALA A 22 3.150 8.794 -10.162 1.00 0.00 H new ATOM 0 HA ALA A 22 2.449 11.500 -11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.799 12.021 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.497 11.840 -9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.297 10.533 -10.704 1.00 0.00 H new ATOM 376 N SER A 23 4.339 9.599 -12.864 1.00 0.00 N ATOM 377 CA SER A 23 4.467 8.905 -14.134 1.00 0.00 C ATOM 378 C SER A 23 3.611 7.637 -14.125 1.00 0.00 C ATOM 379 O SER A 23 2.405 7.696 -14.361 1.00 0.00 O ATOM 380 CB SER A 23 5.928 8.558 -14.427 1.00 0.00 C ATOM 381 OG SER A 23 6.049 7.605 -15.479 1.00 0.00 O ATOM 0 H SER A 23 5.221 9.767 -12.379 1.00 0.00 H new ATOM 0 HA SER A 23 4.114 9.568 -14.924 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.469 9.465 -14.695 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.395 8.163 -13.525 1.00 0.00 H new ATOM 0 HG SER A 23 6.996 7.411 -15.637 1.00 0.00 H new ATOM 387 N ASN A 24 4.269 6.520 -13.851 1.00 0.00 N ATOM 388 CA ASN A 24 3.583 5.239 -13.809 1.00 0.00 C ATOM 389 C ASN A 24 2.784 5.136 -12.508 1.00 0.00 C ATOM 390 O ASN A 24 3.334 4.791 -11.464 1.00 0.00 O ATOM 391 CB ASN A 24 4.580 4.079 -13.845 1.00 0.00 C ATOM 392 CG ASN A 24 4.608 3.423 -15.227 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.632 3.347 -15.886 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.429 2.955 -15.628 1.00 0.00 N ATOM 0 H ASN A 24 5.269 6.475 -13.656 1.00 0.00 H new ATOM 0 HA ASN A 24 2.928 5.178 -14.678 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.576 4.442 -13.591 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.309 3.338 -13.092 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.343 2.500 -16.537 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.611 3.051 -15.027 1.00 0.00 H new ATOM 401 N ILE A 25 1.499 5.441 -12.614 1.00 0.00 N ATOM 402 CA ILE A 25 0.619 5.387 -11.459 1.00 0.00 C ATOM 403 C ILE A 25 0.974 4.164 -10.611 1.00 0.00 C ATOM 404 O ILE A 25 1.092 4.264 -9.390 1.00 0.00 O ATOM 405 CB ILE A 25 -0.845 5.427 -11.899 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.211 6.801 -12.465 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.773 5.013 -10.755 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.224 7.869 -11.991 1.00 0.00 C ATOM 0 H ILE A 25 1.046 5.726 -13.482 1.00 0.00 H new ATOM 0 HA ILE A 25 0.762 6.265 -10.829 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.980 4.702 -12.702 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.214 6.761 -13.554 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.220 7.070 -12.154 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.808 5.050 -11.095 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.531 3.998 -10.439 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.642 5.695 -9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.507 8.836 -12.407 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.242 7.923 -10.903 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.781 7.610 -12.325 1.00 0.00 H new ATOM 420 N LYS A 26 1.133 3.038 -11.290 1.00 0.00 N ATOM 421 CA LYS A 26 1.471 1.798 -10.614 1.00 0.00 C ATOM 422 C LYS A 26 2.970 1.780 -10.309 1.00 0.00 C ATOM 423 O LYS A 26 3.370 1.727 -9.147 1.00 0.00 O ATOM 424 CB LYS A 26 0.996 0.595 -11.432 1.00 0.00 C ATOM 425 CG LYS A 26 -0.362 0.874 -12.079 1.00 0.00 C ATOM 426 CD LYS A 26 -0.211 1.134 -13.579 1.00 0.00 C ATOM 427 CE LYS A 26 -1.154 2.247 -14.040 1.00 0.00 C ATOM 428 NZ LYS A 26 -2.170 1.712 -14.974 1.00 0.00 N ATOM 0 H LYS A 26 1.034 2.959 -12.302 1.00 0.00 H new ATOM 0 HA LYS A 26 0.950 1.731 -9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.730 0.363 -12.204 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.923 -0.281 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.027 0.025 -11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.826 1.737 -11.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.820 1.410 -13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.423 0.220 -14.133 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.646 2.696 -13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.583 3.037 -14.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.802 2.480 -15.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.697 1.305 -15.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.726 0.974 -14.496 1.00 0.00 H new ATOM 442 N SER A 27 3.759 1.827 -11.372 1.00 0.00 N ATOM 443 CA SER A 27 5.205 1.818 -11.233 1.00 0.00 C ATOM 444 C SER A 27 5.654 2.989 -10.357 1.00 0.00 C ATOM 445 O SER A 27 6.153 2.787 -9.251 1.00 0.00 O ATOM 446 CB SER A 27 5.891 1.884 -12.599 1.00 0.00 C ATOM 447 OG SER A 27 5.023 1.475 -13.652 1.00 0.00 O ATOM 0 H SER A 27 3.424 1.871 -12.334 1.00 0.00 H new ATOM 0 HA SER A 27 5.496 0.882 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.232 2.903 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.776 1.248 -12.591 1.00 0.00 H new ATOM 0 HG SER A 27 5.556 1.165 -14.414 1.00 0.00 H new ATOM 453 N GLN A 28 5.461 4.189 -10.884 1.00 0.00 N ATOM 454 CA GLN A 28 5.839 5.393 -10.164 1.00 0.00 C ATOM 455 C GLN A 28 5.545 5.233 -8.671 1.00 0.00 C ATOM 456 O GLN A 28 6.233 5.815 -7.833 1.00 0.00 O ATOM 457 CB GLN A 28 5.127 6.621 -10.735 1.00 0.00 C ATOM 458 CG GLN A 28 5.523 7.888 -9.974 1.00 0.00 C ATOM 459 CD GLN A 28 6.959 8.300 -10.306 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.589 7.778 -11.210 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.438 9.264 -9.525 1.00 0.00 N ATOM 0 H GLN A 28 5.047 4.353 -11.802 1.00 0.00 H new ATOM 0 HA GLN A 28 6.911 5.546 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.377 6.733 -11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.048 6.480 -10.677 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.840 8.698 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.428 7.717 -8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.856 9.658 -8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.387 9.610 -9.666 1.00 0.00 H new ATOM 470 N LYS A 29 4.521 4.443 -8.384 1.00 0.00 N ATOM 471 CA LYS A 29 4.127 4.199 -7.007 1.00 0.00 C ATOM 472 C LYS A 29 5.224 3.399 -6.301 1.00 0.00 C ATOM 473 O LYS A 29 6.058 3.968 -5.598 1.00 0.00 O ATOM 474 CB LYS A 29 2.750 3.535 -6.953 1.00 0.00 C ATOM 475 CG LYS A 29 2.346 3.226 -5.510 1.00 0.00 C ATOM 476 CD LYS A 29 1.698 4.444 -4.849 1.00 0.00 C ATOM 477 CE LYS A 29 2.753 5.479 -4.452 1.00 0.00 C ATOM 478 NZ LYS A 29 3.986 4.808 -3.983 1.00 0.00 N ATOM 0 H LYS A 29 3.952 3.964 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 29 4.022 5.141 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.008 4.190 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.763 2.614 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.651 2.387 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.224 2.923 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.981 4.895 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.141 4.130 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.982 6.119 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.361 6.124 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.173 5.076 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.865 3.777 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.787 5.099 -4.579 1.00 0.00 H new ATOM 492 N CYS A 30 5.187 2.091 -6.512 1.00 0.00 N ATOM 493 CA CYS A 30 6.167 1.207 -5.905 1.00 0.00 C ATOM 494 C CYS A 30 7.464 1.301 -6.712 1.00 0.00 C ATOM 495 O CYS A 30 8.518 1.619 -6.164 1.00 0.00 O ATOM 496 CB CYS A 30 5.653 -0.231 -5.815 1.00 0.00 C ATOM 497 SG CYS A 30 3.841 -0.233 -5.561 1.00 0.00 S ATOM 0 H CYS A 30 4.493 1.623 -7.095 1.00 0.00 H new ATOM 0 HA CYS A 30 6.356 1.520 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.901 -0.772 -6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.144 -0.751 -4.993 1.00 0.00 H new ATOM 0 HG CYS A 30 3.256 0.279 -6.603 1.00 0.00 H new ATOM 503 N LEU A 31 7.343 1.018 -8.001 1.00 0.00 N ATOM 504 CA LEU A 31 8.492 1.067 -8.889 1.00 0.00 C ATOM 505 C LEU A 31 9.437 2.179 -8.432 1.00 0.00 C ATOM 506 O LEU A 31 10.656 2.048 -8.543 1.00 0.00 O ATOM 507 CB LEU A 31 8.039 1.203 -10.344 1.00 0.00 C ATOM 508 CG LEU A 31 8.167 -0.054 -11.207 1.00 0.00 C ATOM 509 CD1 LEU A 31 9.382 -0.884 -10.789 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.875 -0.873 -11.177 1.00 0.00 C ATOM 0 H LEU A 31 6.467 0.754 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 31 9.052 0.133 -8.840 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.996 1.520 -10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.617 2.000 -10.811 1.00 0.00 H new ATOM 0 HG LEU A 31 8.328 0.255 -12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.450 -1.772 -11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.287 -0.288 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.276 -1.185 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.993 -1.761 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.658 -1.173 -10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.052 -0.269 -11.559 1.00 0.00 H new ATOM 522 N GLN A 32 8.841 3.249 -7.927 1.00 0.00 N ATOM 523 CA GLN A 32 9.615 4.384 -7.453 1.00 0.00 C ATOM 524 C GLN A 32 10.220 4.078 -6.082 1.00 0.00 C ATOM 525 O GLN A 32 11.409 4.302 -5.859 1.00 0.00 O ATOM 526 CB GLN A 32 8.758 5.650 -7.404 1.00 0.00 C ATOM 527 CG GLN A 32 8.537 6.218 -8.807 1.00 0.00 C ATOM 528 CD GLN A 32 9.694 7.132 -9.217 1.00 0.00 C ATOM 529 OE1 GLN A 32 10.357 6.925 -10.220 1.00 0.00 O ATOM 530 NE2 GLN A 32 9.898 8.151 -8.387 1.00 0.00 N ATOM 0 H GLN A 32 7.831 3.354 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 32 10.429 4.563 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.796 5.424 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.244 6.398 -6.777 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.442 5.402 -9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.601 6.776 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.305 8.266 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.647 8.818 -8.573 1.00 0.00 H new ATOM 539 N LEU A 33 9.375 3.569 -5.197 1.00 0.00 N ATOM 540 CA LEU A 33 9.811 3.230 -3.854 1.00 0.00 C ATOM 541 C LEU A 33 10.964 2.227 -3.935 1.00 0.00 C ATOM 542 O LEU A 33 12.044 2.472 -3.398 1.00 0.00 O ATOM 543 CB LEU A 33 8.630 2.741 -3.014 1.00 0.00 C ATOM 544 CG LEU A 33 8.977 2.161 -1.641 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.141 2.922 -1.003 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.746 2.129 -0.732 1.00 0.00 C ATOM 0 H LEU A 33 8.390 3.383 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 33 10.191 4.114 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.942 3.574 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.095 1.980 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 33 9.303 1.130 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.368 2.490 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.019 2.849 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.867 3.970 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.020 1.712 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.367 3.142 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.973 1.510 -1.188 1.00 0.00 H new ATOM 558 N LEU A 34 10.696 1.119 -4.610 1.00 0.00 N ATOM 559 CA LEU A 34 11.698 0.078 -4.768 1.00 0.00 C ATOM 560 C LEU A 34 12.844 0.606 -5.633 1.00 0.00 C ATOM 561 O LEU A 34 13.940 0.049 -5.625 1.00 0.00 O ATOM 562 CB LEU A 34 11.059 -1.203 -5.309 1.00 0.00 C ATOM 563 CG LEU A 34 9.548 -1.337 -5.104 1.00 0.00 C ATOM 564 CD1 LEU A 34 8.797 -1.145 -6.423 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.202 -2.669 -4.436 1.00 0.00 C ATOM 0 H LEU A 34 9.800 0.919 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 34 12.125 -0.190 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.268 -1.267 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.547 -2.056 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 34 9.223 -0.545 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.726 -1.245 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.009 -0.153 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.121 -1.900 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.123 -2.739 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.544 -3.491 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.693 -2.727 -3.465 1.00 0.00 H new ATOM 577 N LYS A 35 12.551 1.676 -6.358 1.00 0.00 N ATOM 578 CA LYS A 35 13.543 2.286 -7.227 1.00 0.00 C ATOM 579 C LYS A 35 14.736 2.746 -6.386 1.00 0.00 C ATOM 580 O LYS A 35 15.801 3.045 -6.925 1.00 0.00 O ATOM 581 CB LYS A 35 12.912 3.402 -8.061 1.00 0.00 C ATOM 582 CG LYS A 35 13.645 4.728 -7.847 1.00 0.00 C ATOM 583 CD LYS A 35 14.908 4.801 -8.707 1.00 0.00 C ATOM 584 CE LYS A 35 15.978 5.665 -8.037 1.00 0.00 C ATOM 585 NZ LYS A 35 16.811 6.342 -9.056 1.00 0.00 N ATOM 0 H LYS A 35 11.641 2.136 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 35 13.920 1.558 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.941 3.133 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.862 3.515 -7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.983 5.558 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.910 4.836 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.298 3.797 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.663 5.213 -9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.504 6.407 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.607 5.045 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.532 6.924 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.278 5.629 -9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.209 6.949 -9.649 1.00 0.00 H new ATOM 599 N GLY A 36 14.518 2.787 -5.080 1.00 0.00 N ATOM 600 CA GLY A 36 15.562 3.206 -4.160 1.00 0.00 C ATOM 601 C GLY A 36 16.910 2.591 -4.544 1.00 0.00 C ATOM 602 O GLY A 36 17.683 3.195 -5.287 1.00 0.00 O ATOM 0 H GLY A 36 13.634 2.537 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.640 4.293 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.298 2.909 -3.145 1.00 0.00 H new ATOM 606 N ASP A 37 17.151 1.398 -4.021 1.00 0.00 N ATOM 607 CA ASP A 37 18.392 0.695 -4.300 1.00 0.00 C ATOM 608 C ASP A 37 18.131 -0.399 -5.336 1.00 0.00 C ATOM 609 O ASP A 37 18.287 -0.174 -6.535 1.00 0.00 O ATOM 610 CB ASP A 37 18.943 0.029 -3.037 1.00 0.00 C ATOM 611 CG ASP A 37 20.035 0.819 -2.314 1.00 0.00 C ATOM 612 OD1 ASP A 37 21.021 1.178 -2.994 1.00 0.00 O ATOM 613 OD2 ASP A 37 19.860 1.047 -1.097 1.00 0.00 O ATOM 0 H ASP A 37 16.508 0.900 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 37 19.116 1.421 -4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.119 -0.140 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.340 -0.950 -3.304 1.00 0.00 H new ATOM 618 N VAL A 38 17.738 -1.562 -4.836 1.00 0.00 N ATOM 619 CA VAL A 38 17.454 -2.692 -5.704 1.00 0.00 C ATOM 620 C VAL A 38 16.666 -3.745 -4.922 1.00 0.00 C ATOM 621 O VAL A 38 16.514 -3.635 -3.707 1.00 0.00 O ATOM 622 CB VAL A 38 18.756 -3.237 -6.296 1.00 0.00 C ATOM 623 CG1 VAL A 38 19.336 -4.346 -5.416 1.00 0.00 C ATOM 624 CG2 VAL A 38 18.543 -3.729 -7.729 1.00 0.00 C ATOM 0 H VAL A 38 17.610 -1.746 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 38 16.835 -2.381 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 38 19.478 -2.421 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.261 -4.716 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 38 19.543 -3.951 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 38 18.618 -5.163 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.483 -4.111 -8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 38 17.797 -4.524 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 38 18.196 -2.903 -8.350 1.00 0.00 H new ATOM 634 N SER A 39 16.187 -4.741 -5.652 1.00 0.00 N ATOM 635 CA SER A 39 15.418 -5.813 -5.042 1.00 0.00 C ATOM 636 C SER A 39 15.973 -7.170 -5.479 1.00 0.00 C ATOM 637 O SER A 39 16.832 -7.239 -6.357 1.00 0.00 O ATOM 638 CB SER A 39 13.936 -5.704 -5.405 1.00 0.00 C ATOM 639 OG SER A 39 13.705 -5.963 -6.787 1.00 0.00 O ATOM 0 H SER A 39 16.316 -4.829 -6.660 1.00 0.00 H new ATOM 0 HA SER A 39 15.506 -5.723 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.362 -6.409 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.575 -4.706 -5.158 1.00 0.00 H new ATOM 0 HG SER A 39 12.747 -5.885 -6.979 1.00 0.00 H new ATOM 645 N HIS A 40 15.460 -8.215 -4.847 1.00 0.00 N ATOM 646 CA HIS A 40 15.894 -9.566 -5.160 1.00 0.00 C ATOM 647 C HIS A 40 15.307 -10.543 -4.139 1.00 0.00 C ATOM 648 O HIS A 40 14.212 -11.067 -4.335 1.00 0.00 O ATOM 649 CB HIS A 40 17.420 -9.641 -5.243 1.00 0.00 C ATOM 650 CG HIS A 40 17.953 -9.773 -6.650 1.00 0.00 C ATOM 651 ND1 HIS A 40 17.291 -9.263 -7.753 1.00 0.00 N ATOM 652 CD2 HIS A 40 19.089 -10.362 -7.121 1.00 0.00 C ATOM 653 CE1 HIS A 40 18.006 -9.538 -8.834 1.00 0.00 C ATOM 654 NE2 HIS A 40 19.120 -10.220 -8.440 1.00 0.00 N ATOM 0 H HIS A 40 14.748 -8.154 -4.119 1.00 0.00 H new ATOM 0 HA HIS A 40 15.520 -9.853 -6.143 1.00 0.00 H new ATOM 0 HB2 HIS A 40 17.843 -8.745 -4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.764 -10.491 -4.654 1.00 0.00 H new ATOM 0 HD1 HIS A 40 16.403 -8.761 -7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 40 19.837 -10.860 -6.522 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.752 -9.269 -9.849 1.00 0.00 H new ATOM 662 N ARG A 41 16.062 -10.758 -3.072 1.00 0.00 N ATOM 663 CA ARG A 41 15.631 -11.663 -2.020 1.00 0.00 C ATOM 664 C ARG A 41 14.148 -12.003 -2.188 1.00 0.00 C ATOM 665 O ARG A 41 13.805 -13.020 -2.789 1.00 0.00 O ATOM 666 CB ARG A 41 15.852 -11.046 -0.638 1.00 0.00 C ATOM 667 CG ARG A 41 16.556 -9.692 -0.748 1.00 0.00 C ATOM 668 CD ARG A 41 18.058 -9.872 -0.980 1.00 0.00 C ATOM 669 NE ARG A 41 18.784 -9.766 0.305 1.00 0.00 N ATOM 670 CZ ARG A 41 20.038 -10.197 0.497 1.00 0.00 C ATOM 671 NH1 ARG A 41 20.712 -10.767 -0.511 1.00 0.00 N ATOM 672 NH2 ARG A 41 20.618 -10.059 1.697 1.00 0.00 N ATOM 0 H ARG A 41 16.970 -10.321 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 41 16.228 -12.572 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.894 -10.922 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.449 -11.722 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.124 -9.119 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.391 -9.117 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.250 -10.843 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.420 -9.115 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 41 18.299 -9.338 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 41 20.270 -10.873 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.667 -11.095 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.105 -9.626 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.573 -10.387 1.843 1.00 0.00 H new ATOM 686 N PHE A 42 13.309 -11.133 -1.645 1.00 0.00 N ATOM 687 CA PHE A 42 11.872 -11.329 -1.726 1.00 0.00 C ATOM 688 C PHE A 42 11.300 -10.671 -2.984 1.00 0.00 C ATOM 689 O PHE A 42 11.967 -9.859 -3.623 1.00 0.00 O ATOM 690 CB PHE A 42 11.259 -10.662 -0.493 1.00 0.00 C ATOM 691 CG PHE A 42 11.171 -9.138 -0.589 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.094 -8.447 -1.311 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.170 -8.473 0.048 1.00 0.00 C ATOM 694 CE1 PHE A 42 12.013 -7.032 -1.399 1.00 0.00 C ATOM 695 CE2 PHE A 42 10.089 -7.058 -0.040 1.00 0.00 C ATOM 696 CZ PHE A 42 11.012 -6.368 -0.762 1.00 0.00 C ATOM 0 H PHE A 42 13.597 -10.291 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 42 11.643 -12.394 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.258 -11.064 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.851 -10.927 0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.889 -8.975 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.437 -9.021 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.746 -6.483 -1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.295 -6.530 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.950 -5.292 -0.829 1.00 0.00 H new ATOM 706 N ASP A 43 10.070 -11.047 -3.302 1.00 0.00 N ATOM 707 CA ASP A 43 9.400 -10.504 -4.472 1.00 0.00 C ATOM 708 C ASP A 43 8.343 -9.493 -4.026 1.00 0.00 C ATOM 709 O ASP A 43 7.448 -9.826 -3.250 1.00 0.00 O ATOM 710 CB ASP A 43 8.695 -11.607 -5.264 1.00 0.00 C ATOM 711 CG ASP A 43 9.385 -12.007 -6.570 1.00 0.00 C ATOM 712 OD1 ASP A 43 9.807 -11.081 -7.296 1.00 0.00 O ATOM 713 OD2 ASP A 43 9.474 -13.230 -6.813 1.00 0.00 O ATOM 0 H ASP A 43 9.520 -11.721 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 43 10.153 -10.032 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.609 -12.490 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.681 -11.278 -5.492 1.00 0.00 H new ATOM 718 N VAL A 44 8.481 -8.277 -4.534 1.00 0.00 N ATOM 719 CA VAL A 44 7.548 -7.215 -4.198 1.00 0.00 C ATOM 720 C VAL A 44 6.429 -7.175 -5.241 1.00 0.00 C ATOM 721 O VAL A 44 6.696 -7.125 -6.441 1.00 0.00 O ATOM 722 CB VAL A 44 8.294 -5.885 -4.070 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.368 -4.786 -3.545 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.529 -6.033 -3.179 1.00 0.00 C ATOM 0 H VAL A 44 9.225 -8.004 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 44 7.083 -7.407 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 44 8.631 -5.593 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.923 -3.851 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.533 -4.654 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.987 -5.069 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.041 -5.074 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.223 -6.359 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.204 -6.772 -3.612 1.00 0.00 H new ATOM 734 N GLU A 45 5.201 -7.198 -4.745 1.00 0.00 N ATOM 735 CA GLU A 45 4.040 -7.165 -5.619 1.00 0.00 C ATOM 736 C GLU A 45 3.500 -5.738 -5.730 1.00 0.00 C ATOM 737 O GLU A 45 3.053 -5.161 -4.740 1.00 0.00 O ATOM 738 CB GLU A 45 2.956 -8.126 -5.127 1.00 0.00 C ATOM 739 CG GLU A 45 1.725 -7.359 -4.640 1.00 0.00 C ATOM 740 CD GLU A 45 1.038 -6.631 -5.798 1.00 0.00 C ATOM 741 OE1 GLU A 45 1.092 -7.176 -6.922 1.00 0.00 O ATOM 742 OE2 GLU A 45 0.476 -5.547 -5.533 1.00 0.00 O ATOM 0 H GLU A 45 4.984 -7.239 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 45 4.347 -7.494 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.672 -8.803 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.350 -8.741 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.023 -8.050 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.019 -6.639 -3.877 1.00 0.00 H new ATOM 749 N ILE A 46 3.559 -5.210 -6.944 1.00 0.00 N ATOM 750 CA ILE A 46 3.081 -3.861 -7.197 1.00 0.00 C ATOM 751 C ILE A 46 1.760 -3.929 -7.966 1.00 0.00 C ATOM 752 O ILE A 46 1.746 -4.224 -9.160 1.00 0.00 O ATOM 753 CB ILE A 46 4.159 -3.034 -7.900 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.453 -3.013 -7.084 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.654 -1.624 -8.209 1.00 0.00 C ATOM 756 CD1 ILE A 46 6.026 -4.423 -6.927 1.00 0.00 C ATOM 0 H ILE A 46 3.930 -5.692 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 46 2.878 -3.346 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 46 4.387 -3.510 -8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.186 -2.372 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.260 -2.584 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.440 -1.057 -8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.781 -1.684 -8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.381 -1.124 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.945 -4.379 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.301 -5.056 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.241 -4.840 -7.911 1.00 0.00 H new ATOM 768 N ALA A 47 0.681 -3.651 -7.249 1.00 0.00 N ATOM 769 CA ALA A 47 -0.643 -3.676 -7.849 1.00 0.00 C ATOM 770 C ALA A 47 -1.492 -2.554 -7.248 1.00 0.00 C ATOM 771 O ALA A 47 -1.442 -2.311 -6.043 1.00 0.00 O ATOM 772 CB ALA A 47 -1.270 -5.057 -7.642 1.00 0.00 C ATOM 0 H ALA A 47 0.696 -3.407 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.582 -3.503 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.263 -5.077 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.644 -5.815 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.351 -5.264 -6.575 1.00 0.00 H new ATOM 778 N ASN A 48 -2.251 -1.901 -8.115 1.00 0.00 N ATOM 779 CA ASN A 48 -3.110 -0.811 -7.685 1.00 0.00 C ATOM 780 C ASN A 48 -4.549 -1.315 -7.572 1.00 0.00 C ATOM 781 O ASN A 48 -5.109 -1.830 -8.539 1.00 0.00 O ATOM 782 CB ASN A 48 -3.089 0.338 -8.696 1.00 0.00 C ATOM 783 CG ASN A 48 -3.766 -0.073 -10.006 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.927 0.212 -10.250 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.978 -0.755 -10.831 1.00 0.00 N ATOM 0 H ASN A 48 -2.289 -2.106 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.744 -0.452 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.597 1.206 -8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.059 0.636 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.336 -1.074 -11.731 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.015 -0.959 -10.564 1.00 0.00 H new ATOM 792 N ARG A 49 -5.109 -1.150 -6.382 1.00 0.00 N ATOM 793 CA ARG A 49 -6.473 -1.582 -6.130 1.00 0.00 C ATOM 794 C ARG A 49 -7.059 -0.821 -4.939 1.00 0.00 C ATOM 795 O ARG A 49 -6.322 -0.224 -4.156 1.00 0.00 O ATOM 796 CB ARG A 49 -6.530 -3.084 -5.844 1.00 0.00 C ATOM 797 CG ARG A 49 -6.622 -3.887 -7.144 1.00 0.00 C ATOM 798 CD ARG A 49 -7.897 -3.539 -7.914 1.00 0.00 C ATOM 799 NE ARG A 49 -8.800 -4.711 -7.954 1.00 0.00 N ATOM 800 CZ ARG A 49 -9.706 -4.929 -8.916 1.00 0.00 C ATOM 801 NH1 ARG A 49 -9.835 -4.056 -9.925 1.00 0.00 N ATOM 802 NH2 ARG A 49 -10.483 -6.020 -8.870 1.00 0.00 N ATOM 0 H ARG A 49 -4.642 -0.723 -5.582 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.059 -1.371 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.642 -3.386 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.391 -3.305 -5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.750 -3.681 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.609 -4.953 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.401 -2.698 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.646 -3.228 -8.928 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.728 -5.396 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.243 -3.226 -9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.525 -4.222 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.384 -6.684 -8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.173 -6.186 -9.603 1.00 0.00 H new ATOM 816 N PHE A 50 -8.380 -0.866 -4.841 1.00 0.00 N ATOM 817 CA PHE A 50 -9.074 -0.188 -3.760 1.00 0.00 C ATOM 818 C PHE A 50 -8.868 -0.920 -2.432 1.00 0.00 C ATOM 819 O PHE A 50 -9.363 -2.031 -2.248 1.00 0.00 O ATOM 820 CB PHE A 50 -10.563 -0.198 -4.108 1.00 0.00 C ATOM 821 CG PHE A 50 -11.100 -1.574 -4.505 1.00 0.00 C ATOM 822 CD1 PHE A 50 -11.048 -1.976 -5.804 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.630 -2.396 -3.560 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.547 -3.253 -6.173 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.128 -3.674 -3.929 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.076 -4.075 -5.227 1.00 0.00 C ATOM 0 H PHE A 50 -8.988 -1.362 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.689 0.826 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.128 0.168 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.739 0.499 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.627 -1.323 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.672 -2.077 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.507 -3.572 -7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.548 -4.327 -3.178 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.455 -5.047 -5.507 1.00 0.00 H new ATOM 836 N PRO A 51 -8.117 -0.251 -1.517 1.00 0.00 N ATOM 837 CA PRO A 51 -7.840 -0.826 -0.212 1.00 0.00 C ATOM 838 C PRO A 51 -9.071 -0.751 0.693 1.00 0.00 C ATOM 839 O PRO A 51 -9.035 -0.115 1.745 1.00 0.00 O ATOM 840 CB PRO A 51 -6.659 -0.032 0.325 1.00 0.00 C ATOM 841 CG PRO A 51 -6.616 1.251 -0.487 1.00 0.00 C ATOM 842 CD PRO A 51 -7.514 1.066 -1.700 1.00 0.00 C ATOM 0 HA PRO A 51 -7.600 -1.888 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.782 0.182 1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.730 -0.593 0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.955 2.095 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.595 1.472 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.274 1.846 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.943 1.115 -2.627 1.00 0.00 H new ATOM 850 N THR A 52 -10.132 -1.411 0.251 1.00 0.00 N ATOM 851 CA THR A 52 -11.372 -1.428 1.008 1.00 0.00 C ATOM 852 C THR A 52 -11.297 -2.463 2.131 1.00 0.00 C ATOM 853 O THR A 52 -10.393 -3.297 2.153 1.00 0.00 O ATOM 854 CB THR A 52 -12.520 -1.676 0.028 1.00 0.00 C ATOM 855 OG1 THR A 52 -12.133 -2.857 -0.669 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.599 -0.608 -1.065 1.00 0.00 C ATOM 0 H THR A 52 -10.158 -1.938 -0.622 1.00 0.00 H new ATOM 0 HA THR A 52 -11.548 -0.472 1.502 1.00 0.00 H new ATOM 0 HB THR A 52 -13.463 -1.706 0.575 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.823 -3.091 -1.325 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.431 -0.832 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.754 0.369 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.669 -0.600 -1.633 1.00 0.00 H new ATOM 864 N TRP A 53 -12.260 -2.377 3.037 1.00 0.00 N ATOM 865 CA TRP A 53 -12.315 -3.296 4.161 1.00 0.00 C ATOM 866 C TRP A 53 -12.428 -4.717 3.605 1.00 0.00 C ATOM 867 O TRP A 53 -12.012 -5.676 4.253 1.00 0.00 O ATOM 868 CB TRP A 53 -13.458 -2.933 5.111 1.00 0.00 C ATOM 869 CG TRP A 53 -14.847 -3.286 4.577 1.00 0.00 C ATOM 870 CD1 TRP A 53 -15.417 -4.496 4.494 1.00 0.00 C ATOM 871 CD2 TRP A 53 -15.826 -2.364 4.051 1.00 0.00 C ATOM 872 NE1 TRP A 53 -16.685 -4.423 3.956 1.00 0.00 N ATOM 873 CE2 TRP A 53 -16.942 -3.085 3.678 1.00 0.00 C ATOM 874 CE3 TRP A 53 -15.770 -0.968 3.896 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -18.086 -2.496 3.126 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -16.921 -0.394 3.343 1.00 0.00 C ATOM 877 CH2 TRP A 53 -18.052 -1.106 2.962 1.00 0.00 C ATOM 0 H TRP A 53 -13.009 -1.685 3.015 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.407 -3.228 4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.304 -3.446 6.061 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.420 -1.863 5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.943 -5.414 4.809 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -17.318 -5.206 3.792 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.907 -0.384 4.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -18.948 -3.082 2.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.931 0.677 3.203 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -18.902 -0.589 2.541 1.00 0.00 H new ATOM 888 N ASP A 54 -12.994 -4.807 2.410 1.00 0.00 N ATOM 889 CA ASP A 54 -13.168 -6.094 1.759 1.00 0.00 C ATOM 890 C ASP A 54 -11.830 -6.837 1.743 1.00 0.00 C ATOM 891 O ASP A 54 -11.724 -7.943 2.271 1.00 0.00 O ATOM 892 CB ASP A 54 -13.630 -5.921 0.311 1.00 0.00 C ATOM 893 CG ASP A 54 -15.126 -6.142 0.079 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.898 -5.232 0.452 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.464 -7.215 -0.465 1.00 0.00 O ATOM 0 H ASP A 54 -13.338 -4.009 1.876 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.922 -6.653 2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.371 -4.915 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.074 -6.616 -0.318 1.00 0.00 H new ATOM 900 N GLN A 55 -10.843 -6.199 1.132 1.00 0.00 N ATOM 901 CA GLN A 55 -9.516 -6.786 1.040 1.00 0.00 C ATOM 902 C GLN A 55 -8.719 -6.497 2.314 1.00 0.00 C ATOM 903 O GLN A 55 -8.177 -7.412 2.931 1.00 0.00 O ATOM 904 CB GLN A 55 -8.776 -6.275 -0.198 1.00 0.00 C ATOM 905 CG GLN A 55 -9.161 -7.084 -1.439 1.00 0.00 C ATOM 906 CD GLN A 55 -8.735 -6.360 -2.718 1.00 0.00 C ATOM 907 OE1 GLN A 55 -7.564 -6.126 -2.970 1.00 0.00 O ATOM 908 NE2 GLN A 55 -9.748 -6.020 -3.509 1.00 0.00 N ATOM 0 H GLN A 55 -10.935 -5.282 0.696 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.623 -7.866 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.011 -5.223 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.700 -6.340 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.690 -8.066 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.239 -7.248 -1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.705 -6.246 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.568 -5.533 -4.387 1.00 0.00 H new ATOM 917 N LEU A 56 -8.673 -5.221 2.668 1.00 0.00 N ATOM 918 CA LEU A 56 -7.951 -4.801 3.857 1.00 0.00 C ATOM 919 C LEU A 56 -8.405 -5.645 5.050 1.00 0.00 C ATOM 920 O LEU A 56 -7.648 -5.844 5.999 1.00 0.00 O ATOM 921 CB LEU A 56 -8.108 -3.295 4.075 1.00 0.00 C ATOM 922 CG LEU A 56 -8.891 -2.875 5.320 1.00 0.00 C ATOM 923 CD1 LEU A 56 -7.991 -2.867 6.557 1.00 0.00 C ATOM 924 CD2 LEU A 56 -9.581 -1.527 5.105 1.00 0.00 C ATOM 0 H LEU A 56 -9.124 -4.465 2.153 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.882 -4.973 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.114 -2.850 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.601 -2.871 3.200 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.674 -3.613 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.572 -2.565 7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.587 -3.866 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.172 -2.164 6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.131 -1.252 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.832 -0.765 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.273 -1.602 4.266 1.00 0.00 H new ATOM 936 N GLN A 57 -9.639 -6.120 4.962 1.00 0.00 N ATOM 937 CA GLN A 57 -10.203 -6.938 6.022 1.00 0.00 C ATOM 938 C GLN A 57 -9.126 -7.843 6.624 1.00 0.00 C ATOM 939 O GLN A 57 -9.173 -8.166 7.810 1.00 0.00 O ATOM 940 CB GLN A 57 -11.386 -7.761 5.509 1.00 0.00 C ATOM 941 CG GLN A 57 -11.314 -9.202 6.018 1.00 0.00 C ATOM 942 CD GLN A 57 -11.464 -9.255 7.539 1.00 0.00 C ATOM 943 OE1 GLN A 57 -12.016 -8.365 8.166 1.00 0.00 O ATOM 944 NE2 GLN A 57 -10.944 -10.344 8.097 1.00 0.00 N ATOM 0 H GLN A 57 -10.264 -5.954 4.173 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.575 -6.277 6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.320 -7.303 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.391 -7.756 4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.099 -9.796 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.362 -9.647 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.496 -11.051 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.994 -10.472 9.108 1.00 0.00 H new ATOM 953 N TYR A 58 -8.180 -8.227 5.779 1.00 0.00 N ATOM 954 CA TYR A 58 -7.093 -9.088 6.212 1.00 0.00 C ATOM 955 C TYR A 58 -6.220 -8.386 7.254 1.00 0.00 C ATOM 956 O TYR A 58 -6.008 -8.910 8.347 1.00 0.00 O ATOM 957 CB TYR A 58 -6.253 -9.368 4.965 1.00 0.00 C ATOM 958 CG TYR A 58 -6.812 -10.480 4.075 1.00 0.00 C ATOM 959 CD1 TYR A 58 -8.176 -10.631 3.933 1.00 0.00 C ATOM 960 CD2 TYR A 58 -5.951 -11.333 3.414 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.702 -11.678 3.096 1.00 0.00 C ATOM 962 CE2 TYR A 58 -6.477 -12.380 2.577 1.00 0.00 C ATOM 963 CZ TYR A 58 -7.826 -12.500 2.459 1.00 0.00 C ATOM 964 OH TYR A 58 -8.323 -13.489 1.668 1.00 0.00 O ATOM 0 H TYR A 58 -8.144 -7.957 4.796 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.483 -9.999 6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.175 -8.452 4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.242 -9.637 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.850 -9.964 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.883 -11.215 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.768 -11.807 2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.815 -13.055 2.055 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.583 -13.997 1.276 1.00 0.00 H new ATOM 974 N MET A 59 -5.736 -7.211 6.879 1.00 0.00 N ATOM 975 CA MET A 59 -4.890 -6.432 7.767 1.00 0.00 C ATOM 976 C MET A 59 -5.725 -5.707 8.824 1.00 0.00 C ATOM 977 O MET A 59 -5.235 -5.410 9.912 1.00 0.00 O ATOM 978 CB MET A 59 -4.098 -5.409 6.951 1.00 0.00 C ATOM 979 CG MET A 59 -3.481 -6.056 5.710 1.00 0.00 C ATOM 980 SD MET A 59 -2.801 -7.653 6.128 1.00 0.00 S ATOM 981 CE MET A 59 -1.565 -7.809 4.850 1.00 0.00 C ATOM 0 H MET A 59 -5.914 -6.780 5.972 1.00 0.00 H new ATOM 0 HA MET A 59 -4.206 -7.112 8.275 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.754 -4.592 6.651 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.311 -4.976 7.569 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.237 -6.166 4.933 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.699 -5.413 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.359 -8.864 4.670 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.931 -7.349 3.932 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.650 -7.309 5.166 1.00 0.00 H new ATOM 991 N ARG A 60 -6.973 -5.442 8.466 1.00 0.00 N ATOM 992 CA ARG A 60 -7.882 -4.757 9.369 1.00 0.00 C ATOM 993 C ARG A 60 -7.898 -5.451 10.733 1.00 0.00 C ATOM 994 O ARG A 60 -8.043 -4.797 11.765 1.00 0.00 O ATOM 995 CB ARG A 60 -9.303 -4.727 8.803 1.00 0.00 C ATOM 996 CG ARG A 60 -10.296 -4.207 9.844 1.00 0.00 C ATOM 997 CD ARG A 60 -11.507 -3.558 9.170 1.00 0.00 C ATOM 998 NE ARG A 60 -12.758 -4.085 9.760 1.00 0.00 N ATOM 999 CZ ARG A 60 -13.984 -3.667 9.418 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -14.132 -2.713 8.488 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -15.063 -4.202 10.006 1.00 0.00 N ATOM 0 H ARG A 60 -7.376 -5.690 7.562 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.527 -3.733 9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.332 -4.092 7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.594 -5.729 8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.626 -5.029 10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.803 -3.482 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.465 -2.476 9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.488 -3.758 8.099 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.682 -4.812 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.311 -2.305 8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.066 -2.395 8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.951 -4.928 10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.996 -3.884 9.745 1.00 0.00 H new ATOM 1015 N THR A 61 -7.747 -6.767 10.693 1.00 0.00 N ATOM 1016 CA THR A 61 -7.742 -7.557 11.913 1.00 0.00 C ATOM 1017 C THR A 61 -6.327 -7.642 12.487 1.00 0.00 C ATOM 1018 O THR A 61 -6.127 -7.450 13.685 1.00 0.00 O ATOM 1019 CB THR A 61 -8.352 -8.923 11.594 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.990 -9.156 10.235 1.00 0.00 O ATOM 1021 CG2 THR A 61 -9.882 -8.891 11.571 1.00 0.00 C ATOM 0 H THR A 61 -7.627 -7.306 9.835 1.00 0.00 H new ATOM 0 HA THR A 61 -8.346 -7.089 12.690 1.00 0.00 H new ATOM 0 HB THR A 61 -8.015 -9.651 12.332 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.681 -8.789 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.263 -9.886 11.340 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.254 -8.577 12.546 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.220 -8.187 10.810 1.00 0.00 H new ATOM 1029 N SER A 62 -5.381 -7.931 11.605 1.00 0.00 N ATOM 1030 CA SER A 62 -3.990 -8.045 12.009 1.00 0.00 C ATOM 1031 C SER A 62 -3.489 -6.702 12.544 1.00 0.00 C ATOM 1032 O SER A 62 -2.433 -6.634 13.170 1.00 0.00 O ATOM 1033 CB SER A 62 -3.115 -8.513 10.845 1.00 0.00 C ATOM 1034 OG SER A 62 -3.634 -9.686 10.225 1.00 0.00 O ATOM 0 H SER A 62 -5.551 -8.090 10.612 1.00 0.00 H new ATOM 0 HA SER A 62 -3.924 -8.792 12.800 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.039 -7.716 10.106 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.106 -8.710 11.207 1.00 0.00 H new ATOM 0 HG SER A 62 -4.380 -9.443 9.637 1.00 0.00 H new ATOM 1040 N CYS A 63 -4.271 -5.666 12.276 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.920 -4.328 12.722 1.00 0.00 C ATOM 1042 C CYS A 63 -5.197 -3.487 12.770 1.00 0.00 C ATOM 1043 O CYS A 63 -6.004 -3.525 11.843 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.852 -3.696 11.827 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.694 -2.704 12.839 1.00 0.00 S ATOM 0 H CYS A 63 -5.146 -5.726 11.756 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.482 -4.377 13.719 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.306 -4.474 11.293 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.324 -3.064 11.075 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.790 -2.174 12.070 1.00 0.00 H new ATOM 1051 N PRO A 64 -5.343 -2.728 13.888 1.00 0.00 N ATOM 1052 CA PRO A 64 -6.508 -1.878 14.069 1.00 0.00 C ATOM 1053 C PRO A 64 -6.417 -0.629 13.191 1.00 0.00 C ATOM 1054 O PRO A 64 -7.434 -0.125 12.715 1.00 0.00 O ATOM 1055 CB PRO A 64 -6.536 -1.559 15.555 1.00 0.00 C ATOM 1056 CG PRO A 64 -5.137 -1.853 16.071 1.00 0.00 C ATOM 1057 CD PRO A 64 -4.408 -2.658 15.007 1.00 0.00 C ATOM 0 HA PRO A 64 -7.434 -2.364 13.762 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.804 -0.516 15.726 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.279 -2.168 16.071 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.604 -0.925 16.280 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.184 -2.411 17.006 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.476 -2.175 14.714 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.151 -3.653 15.370 1.00 0.00 H new ATOM 1065 N GLN A 65 -5.191 -0.165 13.002 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.954 1.016 12.190 1.00 0.00 C ATOM 1067 C GLN A 65 -4.701 0.617 10.734 1.00 0.00 C ATOM 1068 O GLN A 65 -4.251 1.434 9.932 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.788 1.838 12.743 1.00 0.00 C ATOM 1070 CG GLN A 65 -4.074 2.301 14.173 1.00 0.00 C ATOM 1071 CD GLN A 65 -2.922 3.149 14.715 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -1.815 3.139 14.203 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -3.243 3.882 15.778 1.00 0.00 N ATOM 0 H GLN A 65 -4.350 -0.586 13.398 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.846 1.642 12.226 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.877 1.240 12.726 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.614 2.704 12.104 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.997 2.880 14.194 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.226 1.434 14.816 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.189 3.844 16.157 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.543 4.482 16.214 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.001 -0.639 10.438 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.812 -1.156 9.093 1.00 0.00 C ATOM 1084 C GLY A 66 -5.660 -0.380 8.083 1.00 0.00 C ATOM 1085 O GLY A 66 -5.165 0.021 7.031 1.00 0.00 O ATOM 0 H GLY A 66 -5.373 -1.314 11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.759 -1.088 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.081 -2.212 9.064 1.00 0.00 H new ATOM 1089 N PRO A 67 -6.956 -0.187 8.448 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.877 0.534 7.586 1.00 0.00 C ATOM 1091 C PRO A 67 -7.604 2.038 7.629 1.00 0.00 C ATOM 1092 O PRO A 67 -7.447 2.674 6.587 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.261 0.166 8.094 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.059 -0.371 9.502 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.576 -0.648 9.687 1.00 0.00 C ATOM 0 HA PRO A 67 -7.769 0.265 6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.919 1.035 8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.726 -0.583 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.407 0.352 10.240 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.639 -1.282 9.650 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.178 -0.115 10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.389 -1.709 9.853 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.556 2.564 8.844 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.305 3.983 9.036 1.00 0.00 C ATOM 1105 C VAL A 68 -6.089 4.398 8.207 1.00 0.00 C ATOM 1106 O VAL A 68 -5.971 5.555 7.807 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.146 4.289 10.526 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -8.151 3.491 11.360 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -5.713 4.021 10.991 1.00 0.00 C ATOM 0 H VAL A 68 -7.687 2.034 9.705 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.153 4.572 8.686 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.354 5.349 10.674 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.017 3.727 12.416 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.165 3.752 11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.989 2.425 11.203 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.627 4.247 12.054 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.465 2.973 10.821 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.024 4.652 10.429 1.00 0.00 H new ATOM 1119 N SER A 69 -5.214 3.431 7.973 1.00 0.00 N ATOM 1120 CA SER A 69 -4.010 3.681 7.199 1.00 0.00 C ATOM 1121 C SER A 69 -4.366 3.862 5.722 1.00 0.00 C ATOM 1122 O SER A 69 -3.739 4.655 5.021 1.00 0.00 O ATOM 1123 CB SER A 69 -3.001 2.544 7.366 1.00 0.00 C ATOM 1124 OG SER A 69 -2.533 2.057 6.111 1.00 0.00 O ATOM 0 H SER A 69 -5.315 2.472 8.306 1.00 0.00 H new ATOM 0 HA SER A 69 -3.549 4.596 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.155 2.894 7.957 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.463 1.728 7.922 1.00 0.00 H new ATOM 0 HG SER A 69 -2.004 1.244 6.252 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.372 3.113 5.292 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.819 3.181 3.911 1.00 0.00 C ATOM 1132 C LEU A 70 -6.583 4.488 3.691 1.00 0.00 C ATOM 1133 O LEU A 70 -6.208 5.295 2.842 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.620 1.930 3.546 1.00 0.00 C ATOM 1135 CG LEU A 70 -6.095 0.608 4.110 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -7.174 -0.475 4.062 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -4.816 0.176 3.391 1.00 0.00 C ATOM 0 H LEU A 70 -5.890 2.456 5.876 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.965 3.193 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.645 2.067 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.656 1.850 2.460 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.839 0.761 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.775 -1.404 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.033 -0.159 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.484 -0.634 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.463 -0.766 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.022 0.046 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.050 0.940 3.521 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.641 4.656 4.470 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.462 5.851 4.370 1.00 0.00 C ATOM 1151 C GLN A 71 -7.596 7.103 4.518 1.00 0.00 C ATOM 1152 O GLN A 71 -7.840 8.113 3.859 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.583 5.834 5.411 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.046 5.446 6.790 1.00 0.00 C ATOM 1155 CD GLN A 71 -10.041 5.821 7.891 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -11.210 5.476 7.851 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -9.512 6.546 8.873 1.00 0.00 N ATOM 0 H GLN A 71 -7.949 3.985 5.173 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.926 5.868 3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.051 6.817 5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.356 5.129 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.852 4.374 6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.095 5.948 6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.525 6.800 8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.094 6.847 9.655 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.601 6.997 5.387 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.697 8.109 5.630 1.00 0.00 C ATOM 1168 C ARG A 72 -4.647 8.191 4.520 1.00 0.00 C ATOM 1169 O ARG A 72 -4.001 9.223 4.348 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.993 7.961 6.980 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.982 8.122 8.136 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.355 9.593 8.337 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.947 10.038 9.688 1.00 0.00 N ATOM 1174 CZ ARG A 72 -6.617 9.742 10.810 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -7.731 9.000 10.750 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -6.173 10.189 11.993 1.00 0.00 N ATOM 0 H ARG A 72 -6.401 6.158 5.932 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.290 9.023 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.515 6.983 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.203 8.707 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.881 7.539 7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.544 7.726 9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.867 10.207 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.430 9.725 8.211 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.103 10.605 9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.069 8.660 9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.241 8.775 11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.325 10.754 12.039 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.683 9.964 12.847 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.510 7.090 3.796 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.550 7.024 2.708 1.00 0.00 C ATOM 1192 C GLN A 73 -3.975 7.952 1.569 1.00 0.00 C ATOM 1193 O GLN A 73 -3.139 8.624 0.966 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.381 5.587 2.211 1.00 0.00 C ATOM 1195 CG GLN A 73 -1.905 5.255 1.983 1.00 0.00 C ATOM 1196 CD GLN A 73 -1.040 5.787 3.127 1.00 0.00 C ATOM 1197 OE1 GLN A 73 0.075 6.243 2.936 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -1.615 5.702 4.324 1.00 0.00 N ATOM 0 H GLN A 73 -5.048 6.236 3.942 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.583 7.359 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.805 4.895 2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.935 5.452 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.780 4.175 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.573 5.688 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.552 5.309 4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.119 6.030 5.153 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.274 7.960 1.308 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.820 8.795 0.251 1.00 0.00 C ATOM 1209 C ILE A 74 -5.940 10.234 0.755 1.00 0.00 C ATOM 1210 O ILE A 74 -6.301 10.464 1.908 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.137 8.212 -0.266 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.040 7.875 -1.755 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.307 9.150 0.035 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.262 8.395 -2.515 1.00 0.00 C ATOM 0 H ILE A 74 -5.964 7.402 1.810 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.148 8.812 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.329 7.279 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.134 8.314 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.960 6.795 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.231 8.712 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.389 9.296 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.137 10.111 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.168 8.142 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.164 7.936 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.325 9.478 -2.405 1.00 0.00 H new ATOM 1226 N PRO A 75 -5.622 11.191 -0.158 1.00 0.00 N ATOM 1227 CA PRO A 75 -5.690 12.602 0.182 1.00 0.00 C ATOM 1228 C PRO A 75 -7.142 13.084 0.233 1.00 0.00 C ATOM 1229 O PRO A 75 -7.516 14.014 -0.480 1.00 0.00 O ATOM 1230 CB PRO A 75 -4.868 13.305 -0.886 1.00 0.00 C ATOM 1231 CG PRO A 75 -4.757 12.322 -2.040 1.00 0.00 C ATOM 1232 CD PRO A 75 -5.190 10.956 -1.533 1.00 0.00 C ATOM 0 HA PRO A 75 -5.293 12.815 1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.350 14.229 -1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.882 13.574 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.387 12.637 -2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.733 12.284 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.999 10.547 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.369 10.240 -1.573 1.00 0.00 H new ATOM 1240 N LYS A 76 -7.920 12.429 1.082 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.322 12.779 1.235 1.00 0.00 C ATOM 1242 C LYS A 76 -9.940 11.919 2.339 1.00 0.00 C ATOM 1243 O LYS A 76 -11.109 11.544 2.257 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.049 12.675 -0.106 1.00 0.00 C ATOM 1245 CG LYS A 76 -10.405 14.061 -0.647 1.00 0.00 C ATOM 1246 CD LYS A 76 -11.584 14.663 0.119 1.00 0.00 C ATOM 1247 CE LYS A 76 -11.680 16.171 -0.118 1.00 0.00 C ATOM 1248 NZ LYS A 76 -11.268 16.914 1.095 1.00 0.00 N ATOM 0 H LYS A 76 -7.606 11.658 1.671 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.424 13.819 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.419 12.151 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.957 12.083 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.540 14.720 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.653 13.989 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.510 14.182 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.469 14.466 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.046 16.454 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.702 16.439 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.339 17.936 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.890 16.657 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.285 16.672 1.333 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.128 11.631 3.346 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.581 10.822 4.464 1.00 0.00 C ATOM 1264 C LEU A 77 -10.971 11.290 4.897 1.00 0.00 C ATOM 1265 O LEU A 77 -11.936 10.530 4.828 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.547 10.840 5.592 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.442 11.891 5.472 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -6.925 12.303 6.851 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -6.315 11.401 4.560 1.00 0.00 C ATOM 0 H LEU A 77 -8.159 11.944 3.411 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.675 9.778 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.070 10.998 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.081 9.856 5.647 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.867 12.781 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.140 13.051 6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.744 12.722 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.522 11.430 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.543 12.167 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.885 10.488 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.713 11.198 3.566 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.030 12.540 5.335 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.287 13.119 5.779 1.00 0.00 C ATOM 1283 C ASP A 78 -13.410 12.666 4.845 1.00 0.00 C ATOM 1284 O ASP A 78 -14.568 12.586 5.254 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.231 14.647 5.745 1.00 0.00 C ATOM 1286 CG ASP A 78 -13.461 15.352 6.321 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -13.467 15.569 7.552 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.368 15.658 5.516 1.00 0.00 O ATOM 0 H ASP A 78 -10.228 13.167 5.392 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.469 12.787 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.351 14.976 6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.097 14.968 4.712 1.00 0.00 H new ATOM 1293 N SER A 79 -13.030 12.381 3.608 1.00 0.00 N ATOM 1294 CA SER A 79 -13.992 11.938 2.613 1.00 0.00 C ATOM 1295 C SER A 79 -14.170 10.420 2.697 1.00 0.00 C ATOM 1296 O SER A 79 -15.278 9.933 2.913 1.00 0.00 O ATOM 1297 CB SER A 79 -13.553 12.344 1.205 1.00 0.00 C ATOM 1298 OG SER A 79 -13.499 11.228 0.320 1.00 0.00 O ATOM 0 H SER A 79 -12.069 12.448 3.272 1.00 0.00 H new ATOM 0 HA SER A 79 -14.947 12.421 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.245 13.087 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.572 12.816 1.253 1.00 0.00 H new ATOM 0 HG SER A 79 -13.216 11.529 -0.569 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.062 9.716 2.521 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.081 8.264 2.574 1.00 0.00 C ATOM 1306 C VAL A 80 -13.072 7.811 4.035 1.00 0.00 C ATOM 1307 O VAL A 80 -13.802 6.894 4.409 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.915 7.695 1.764 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.576 8.009 2.436 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -12.080 6.189 1.548 1.00 0.00 C ATOM 0 H VAL A 80 -12.145 10.124 2.341 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.993 7.877 2.120 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.920 8.176 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.763 7.593 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.453 9.089 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.557 7.568 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.238 5.810 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.113 5.684 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.007 5.998 1.007 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.238 8.474 4.822 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.124 8.151 6.234 1.00 0.00 C ATOM 1322 C LEU A 81 -13.498 8.278 6.894 1.00 0.00 C ATOM 1323 O LEU A 81 -13.663 7.935 8.064 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.043 9.009 6.894 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.466 9.770 8.153 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -11.375 8.875 9.390 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -10.654 11.057 8.315 1.00 0.00 C ATOM 0 H LEU A 81 -11.634 9.234 4.508 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.802 7.118 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.201 8.365 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.682 9.731 6.161 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.511 10.061 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.681 9.440 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.031 8.014 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.348 8.533 9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.975 11.578 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.595 10.811 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.813 11.699 7.449 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.450 8.772 6.116 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.805 8.949 6.610 1.00 0.00 C ATOM 1341 C LYS A 82 -16.781 8.227 5.679 1.00 0.00 C ATOM 1342 O LYS A 82 -17.128 7.071 5.913 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.117 10.435 6.798 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.725 10.697 8.177 1.00 0.00 C ATOM 1345 CD LYS A 82 -17.818 9.677 8.498 1.00 0.00 C ATOM 1346 CE LYS A 82 -19.196 10.342 8.534 1.00 0.00 C ATOM 1347 NZ LYS A 82 -19.504 10.821 9.900 1.00 0.00 N ATOM 0 H LYS A 82 -14.310 9.055 5.146 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.913 8.498 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.204 11.019 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.808 10.766 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.945 10.650 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.142 11.704 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.812 8.885 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.611 9.208 9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -19.222 11.178 7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -19.958 9.632 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -20.442 11.270 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.500 10.017 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.787 11.514 10.195 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.196 8.940 4.642 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.125 8.383 3.674 1.00 0.00 C ATOM 1363 C TYR A 83 -18.461 9.404 2.585 1.00 0.00 C ATOM 1364 O TYR A 83 -19.316 9.153 1.737 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.398 8.050 4.455 1.00 0.00 C ATOM 1366 CG TYR A 83 -19.840 6.590 4.333 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -19.914 5.994 3.090 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -20.164 5.871 5.465 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.329 4.620 2.975 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -20.580 4.497 5.349 1.00 0.00 C ATOM 1371 CZ TYR A 83 -20.642 3.939 4.111 1.00 0.00 C ATOM 1372 OH TYR A 83 -21.034 2.641 4.002 1.00 0.00 O ATOM 0 H TYR A 83 -16.906 9.899 4.451 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.693 7.509 3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.238 8.283 5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.205 8.694 4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.661 6.558 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -20.106 6.338 6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -20.390 4.141 2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -20.837 3.922 6.227 1.00 0.00 H new ATOM 0 HH TYR A 83 -21.224 2.281 4.893 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.771 10.533 2.645 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.986 11.593 1.675 1.00 0.00 C ATOM 1384 C LYS A 84 -17.853 11.020 0.262 1.00 0.00 C ATOM 1385 O LYS A 84 -18.098 9.835 0.044 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.049 12.771 1.951 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.698 14.096 1.547 1.00 0.00 C ATOM 1388 CD LYS A 84 -16.643 15.113 1.109 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.693 15.340 -0.403 1.00 0.00 C ATOM 1390 NZ LYS A 84 -16.479 16.769 -0.720 1.00 0.00 N ATOM 0 H LYS A 84 -17.063 10.737 3.350 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.997 11.992 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.793 12.796 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.118 12.636 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.404 13.926 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.268 14.496 2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.806 16.058 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.652 14.760 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.930 14.735 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.657 15.015 -0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.976 16.852 -1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.398 17.251 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.912 17.210 0.032 1.00 0.00 H new ATOM 1404 N HIS A 85 -17.466 11.889 -0.661 1.00 0.00 N ATOM 1405 CA HIS A 85 -17.298 11.484 -2.046 1.00 0.00 C ATOM 1406 C HIS A 85 -16.716 10.070 -2.100 1.00 0.00 C ATOM 1407 O HIS A 85 -16.794 9.402 -3.130 1.00 0.00 O ATOM 1408 CB HIS A 85 -16.452 12.503 -2.811 1.00 0.00 C ATOM 1409 CG HIS A 85 -17.230 13.698 -3.308 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -18.524 13.603 -3.788 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -16.883 15.015 -3.394 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -18.928 14.813 -4.145 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -17.910 15.687 -3.900 1.00 0.00 N ATOM 0 H HIS A 85 -17.264 12.872 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 85 -18.268 11.459 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.647 12.850 -2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.985 12.007 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -15.934 15.439 -3.100 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.894 15.064 -4.558 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -17.934 16.691 -4.076 1.00 0.00 H new ATOM 1421 N THR A 86 -16.147 9.656 -0.978 1.00 0.00 N ATOM 1422 CA THR A 86 -15.552 8.333 -0.885 1.00 0.00 C ATOM 1423 C THR A 86 -16.547 7.267 -1.350 1.00 0.00 C ATOM 1424 O THR A 86 -16.160 6.135 -1.634 1.00 0.00 O ATOM 1425 CB THR A 86 -15.072 8.131 0.553 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.161 7.039 0.465 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.181 7.616 1.473 1.00 0.00 C ATOM 0 H THR A 86 -16.085 10.213 -0.126 1.00 0.00 H new ATOM 0 HA THR A 86 -14.691 8.239 -1.546 1.00 0.00 H new ATOM 0 HB THR A 86 -14.685 9.073 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.656 6.215 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.788 7.490 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.002 8.333 1.491 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.545 6.658 1.103 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.808 7.668 -1.413 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.861 6.761 -1.838 1.00 0.00 C ATOM 1437 C ASP A 87 -18.292 5.765 -2.850 1.00 0.00 C ATOM 1438 O ASP A 87 -17.135 5.360 -2.745 1.00 0.00 O ATOM 1439 CB ASP A 87 -20.003 7.522 -2.514 1.00 0.00 C ATOM 1440 CG ASP A 87 -21.407 7.111 -2.069 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.493 6.407 -1.039 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -22.364 7.509 -2.768 1.00 0.00 O ATOM 0 H ASP A 87 -18.124 8.608 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.242 6.249 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.874 8.587 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.925 7.382 -3.592 1.00 0.00 H new ATOM 1447 N PRO A 88 -19.154 5.388 -3.832 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.749 4.446 -4.862 1.00 0.00 C ATOM 1449 C PRO A 88 -17.824 5.114 -5.882 1.00 0.00 C ATOM 1450 O PRO A 88 -17.747 4.682 -7.031 1.00 0.00 O ATOM 1451 CB PRO A 88 -20.049 3.951 -5.475 1.00 0.00 C ATOM 1452 CG PRO A 88 -21.107 4.971 -5.088 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.531 5.846 -3.988 1.00 0.00 C ATOM 0 HA PRO A 88 -18.168 3.613 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.964 3.869 -6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.306 2.960 -5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.387 5.576 -5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.012 4.470 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.569 6.901 -4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -21.092 5.736 -3.060 1.00 0.00 H new ATOM 1461 N THR A 89 -17.145 6.155 -5.424 1.00 0.00 N ATOM 1462 CA THR A 89 -16.228 6.886 -6.283 1.00 0.00 C ATOM 1463 C THR A 89 -14.833 6.261 -6.227 1.00 0.00 C ATOM 1464 O THR A 89 -14.228 5.991 -7.264 1.00 0.00 O ATOM 1465 CB THR A 89 -16.253 8.356 -5.858 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.866 9.064 -7.032 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.158 8.691 -4.843 1.00 0.00 C ATOM 0 H THR A 89 -17.211 6.510 -4.470 1.00 0.00 H new ATOM 0 HA THR A 89 -16.534 6.829 -7.328 1.00 0.00 H new ATOM 0 HB THR A 89 -17.228 8.594 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.053 8.663 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.220 9.746 -4.575 1.00 0.00 H new ATOM 0 HG22 THR A 89 -15.291 8.081 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.181 8.485 -5.280 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.362 6.050 -5.007 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.049 5.462 -4.803 1.00 0.00 C ATOM 1477 C PHE A 90 -13.163 3.983 -4.427 1.00 0.00 C ATOM 1478 O PHE A 90 -12.219 3.217 -4.613 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.394 6.220 -3.647 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.411 7.305 -4.093 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.589 7.083 -5.154 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.358 8.490 -3.428 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.677 8.090 -5.568 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -10.446 9.496 -3.842 1.00 0.00 C ATOM 1485 CZ PHE A 90 -9.624 9.275 -4.903 1.00 0.00 C ATOM 0 H PHE A 90 -14.866 6.276 -4.150 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.464 5.533 -5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.174 6.678 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.869 5.508 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.630 6.141 -5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.010 8.666 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.025 7.915 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.405 10.437 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.930 10.040 -5.217 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.327 3.626 -3.903 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.577 2.253 -3.499 1.00 0.00 C ATOM 1497 C GLY A 91 -14.239 1.279 -4.630 1.00 0.00 C ATOM 1498 O GLY A 91 -13.093 1.207 -5.070 1.00 0.00 O ATOM 0 H GLY A 91 -15.107 4.264 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.980 2.015 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.623 2.138 -3.216 1.00 0.00 H new ATOM 1502 N MET A 92 -15.258 0.554 -5.067 1.00 0.00 N ATOM 1503 CA MET A 92 -15.083 -0.413 -6.138 1.00 0.00 C ATOM 1504 C MET A 92 -13.759 -0.187 -6.870 1.00 0.00 C ATOM 1505 O MET A 92 -12.893 -1.061 -6.877 1.00 0.00 O ATOM 1506 CB MET A 92 -16.242 -0.292 -7.129 1.00 0.00 C ATOM 1507 CG MET A 92 -17.109 0.929 -6.813 1.00 0.00 C ATOM 1508 SD MET A 92 -16.437 2.378 -7.607 1.00 0.00 S ATOM 1509 CE MET A 92 -15.911 3.302 -6.173 1.00 0.00 C ATOM 0 H MET A 92 -16.207 0.616 -4.699 1.00 0.00 H new ATOM 0 HA MET A 92 -15.069 -1.412 -5.702 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.851 -0.212 -8.143 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.852 -1.195 -7.093 1.00 0.00 H new ATOM 0 HG2 MET A 92 -18.130 0.758 -7.154 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.155 1.083 -5.735 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.103 4.363 -6.333 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.464 2.961 -5.298 1.00 0.00 H new ATOM 0 HE3 MET A 92 -14.844 3.147 -6.012 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.643 0.989 -7.468 1.00 0.00 N ATOM 1520 CA ASP A 93 -12.439 1.341 -8.201 1.00 0.00 C ATOM 1521 C ASP A 93 -11.811 2.587 -7.574 1.00 0.00 C ATOM 1522 O ASP A 93 -12.237 3.707 -7.851 1.00 0.00 O ATOM 1523 CB ASP A 93 -12.757 1.657 -9.664 1.00 0.00 C ATOM 1524 CG ASP A 93 -12.359 0.568 -10.662 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -11.374 -0.141 -10.366 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -13.049 0.470 -11.700 1.00 0.00 O ATOM 0 H ASP A 93 -14.364 1.711 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.757 0.492 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.828 1.839 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.251 2.583 -9.938 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.808 2.350 -6.741 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.117 3.439 -6.072 1.00 0.00 C ATOM 1533 C LEU A 94 -9.016 3.977 -6.988 1.00 0.00 C ATOM 1534 O LEU A 94 -8.706 5.167 -6.960 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.611 2.990 -4.700 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.111 3.161 -4.449 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.298 2.188 -5.306 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.681 4.613 -4.665 1.00 0.00 C ATOM 0 H LEU A 94 -10.457 1.419 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.803 4.264 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.153 3.546 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.864 1.938 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.909 2.918 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.235 2.330 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.579 1.164 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.500 2.376 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.611 4.707 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.899 4.908 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.226 5.260 -3.978 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.454 3.074 -7.779 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.394 3.443 -8.701 1.00 0.00 C ATOM 1552 C GLN A 95 -7.948 4.328 -9.820 1.00 0.00 C ATOM 1553 O GLN A 95 -7.486 5.452 -10.014 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.709 2.201 -9.274 1.00 0.00 C ATOM 1555 CG GLN A 95 -7.032 0.961 -8.437 1.00 0.00 C ATOM 1556 CD GLN A 95 -8.299 0.272 -8.947 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -9.414 0.704 -8.703 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -8.067 -0.822 -9.667 1.00 0.00 N ATOM 0 H GLN A 95 -8.713 2.088 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.643 4.011 -8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.034 2.044 -10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.630 2.356 -9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.195 0.264 -8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.164 1.246 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.109 -1.129 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -8.847 -1.354 -10.052 1.00 0.00 H new ATOM 1567 N LYS A 96 -8.931 3.789 -10.526 1.00 0.00 N ATOM 1568 CA LYS A 96 -9.552 4.516 -11.620 1.00 0.00 C ATOM 1569 C LYS A 96 -9.817 5.958 -11.183 1.00 0.00 C ATOM 1570 O LYS A 96 -9.846 6.866 -12.012 1.00 0.00 O ATOM 1571 CB LYS A 96 -10.802 3.782 -12.109 1.00 0.00 C ATOM 1572 CG LYS A 96 -10.471 2.343 -12.511 1.00 0.00 C ATOM 1573 CD LYS A 96 -9.092 2.261 -13.168 1.00 0.00 C ATOM 1574 CE LYS A 96 -8.877 0.896 -13.823 1.00 0.00 C ATOM 1575 NZ LYS A 96 -7.695 0.929 -14.714 1.00 0.00 N ATOM 0 H LYS A 96 -9.313 2.857 -10.362 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.881 4.561 -12.478 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.557 3.779 -11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.230 4.312 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.497 1.701 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.229 1.971 -13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.995 3.047 -13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.318 2.436 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.740 0.135 -13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.762 0.616 -14.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.563 -0.006 -15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.841 1.641 -15.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.850 1.175 -14.160 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.004 6.123 -9.881 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.265 7.439 -9.324 1.00 0.00 C ATOM 1591 C CYS A 97 -8.929 8.061 -8.912 1.00 0.00 C ATOM 1592 O CYS A 97 -8.716 9.259 -9.092 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.249 7.373 -8.154 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.928 7.829 -8.722 1.00 0.00 S ATOM 0 H CYS A 97 -9.980 5.367 -9.197 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.740 8.068 -10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.259 6.368 -7.733 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.929 8.048 -7.360 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.803 7.045 -8.164 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.064 7.218 -8.366 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.755 7.670 -7.927 1.00 0.00 C ATOM 1602 C VAL A 98 -5.852 7.864 -9.146 1.00 0.00 C ATOM 1603 O VAL A 98 -5.387 8.972 -9.409 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.178 6.687 -6.906 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.651 6.651 -6.982 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.648 7.028 -5.490 1.00 0.00 C ATOM 0 H VAL A 98 -8.244 6.225 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.832 8.634 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.549 5.692 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.267 5.945 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.344 6.338 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.253 7.644 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.224 6.314 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.320 8.034 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.736 6.979 -5.446 1.00 0.00 H new ATOM 1616 N GLN A 99 -5.630 6.769 -9.858 1.00 0.00 N ATOM 1617 CA GLN A 99 -4.790 6.805 -11.044 1.00 0.00 C ATOM 1618 C GLN A 99 -5.251 7.918 -11.987 1.00 0.00 C ATOM 1619 O GLN A 99 -4.481 8.386 -12.824 1.00 0.00 O ATOM 1620 CB GLN A 99 -4.786 5.450 -11.754 1.00 0.00 C ATOM 1621 CG GLN A 99 -4.865 4.302 -10.746 1.00 0.00 C ATOM 1622 CD GLN A 99 -5.031 2.958 -11.458 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -6.067 2.648 -12.022 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -3.954 2.179 -11.399 1.00 0.00 N ATOM 0 H GLN A 99 -6.017 5.851 -9.637 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.767 7.019 -10.735 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.630 5.393 -12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.880 5.352 -12.352 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.961 4.286 -10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.703 4.465 -10.069 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.118 2.500 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.964 1.261 -11.843 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.506 8.309 -11.820 1.00 0.00 N ATOM 1634 CA ARG A 100 -7.079 9.358 -12.647 1.00 0.00 C ATOM 1635 C ARG A 100 -8.551 9.572 -12.288 1.00 0.00 C ATOM 1636 O ARG A 100 -9.436 8.971 -12.894 1.00 0.00 O ATOM 1637 CB ARG A 100 -6.970 9.010 -14.133 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.968 10.275 -14.993 1.00 0.00 C ATOM 1639 CD ARG A 100 -8.377 10.599 -15.494 1.00 0.00 C ATOM 1640 NE ARG A 100 -8.407 11.960 -16.076 1.00 0.00 N ATOM 1641 CZ ARG A 100 -9.530 12.651 -16.313 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -10.722 12.114 -16.020 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -9.461 13.879 -16.844 1.00 0.00 N ATOM 0 H ARG A 100 -7.142 7.919 -11.125 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.518 10.273 -12.458 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.056 8.443 -14.311 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.804 8.370 -14.423 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.583 11.113 -14.412 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.298 10.141 -15.842 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.683 9.868 -16.242 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.089 10.530 -14.672 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.517 12.399 -16.311 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.775 11.179 -15.616 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.577 12.640 -16.201 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.554 14.288 -17.068 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.316 14.405 -17.025 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.767 10.431 -11.302 1.00 0.00 N ATOM 1658 CA GLY A 101 -10.116 10.732 -10.855 1.00 0.00 C ATOM 1659 C GLY A 101 -10.104 11.783 -9.743 1.00 0.00 C ATOM 1660 O GLY A 101 -9.488 12.838 -9.887 1.00 0.00 O ATOM 0 H GLY A 101 -8.030 10.928 -10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.709 11.093 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.595 9.822 -10.495 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.790 11.457 -8.657 1.00 0.00 N ATOM 1665 CA LEU A 102 -10.865 12.360 -7.521 1.00 0.00 C ATOM 1666 C LEU A 102 -9.663 13.306 -7.546 1.00 0.00 C ATOM 1667 O LEU A 102 -9.777 14.449 -7.985 1.00 0.00 O ATOM 1668 CB LEU A 102 -10.999 11.570 -6.217 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.191 11.936 -5.330 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.236 10.818 -5.327 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -11.732 12.296 -3.916 1.00 0.00 C ATOM 0 H LEU A 102 -11.299 10.581 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.760 12.979 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.066 10.510 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.086 11.705 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.669 12.822 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.072 11.104 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.594 10.652 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.786 9.901 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.599 12.552 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.216 11.444 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.054 13.149 -3.959 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.538 12.794 -7.068 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.316 13.579 -7.030 1.00 0.00 C ATOM 1685 C TRP A 103 -6.143 12.643 -7.328 1.00 0.00 C ATOM 1686 O TRP A 103 -6.264 11.427 -7.188 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.174 14.309 -5.693 1.00 0.00 C ATOM 1688 CG TRP A 103 -6.156 15.450 -5.712 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -5.689 16.122 -6.773 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -5.493 16.030 -4.568 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -4.777 17.088 -6.399 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -4.654 17.030 -5.015 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -5.598 15.719 -3.201 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -3.857 17.802 -4.161 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -4.795 16.498 -2.360 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -3.946 17.509 -2.795 1.00 0.00 C ATOM 0 H TRP A 103 -8.447 11.845 -6.704 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.337 14.362 -7.788 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.146 14.708 -5.404 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.884 13.590 -4.927 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.989 15.932 -7.793 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.284 17.727 -7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.247 14.940 -2.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.209 18.581 -4.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.838 16.300 -1.299 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.357 18.066 -2.082 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.034 13.245 -7.732 1.00 0.00 N ATOM 1708 CA ASN A 104 -3.841 12.480 -8.051 1.00 0.00 C ATOM 1709 C ASN A 104 -2.945 12.402 -6.813 1.00 0.00 C ATOM 1710 O ASN A 104 -2.140 13.299 -6.567 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.041 13.148 -9.171 1.00 0.00 C ATOM 1712 CG ASN A 104 -2.836 14.637 -8.886 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -1.831 15.058 -8.338 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -3.843 15.408 -9.288 1.00 0.00 N ATOM 0 H ASN A 104 -4.937 14.254 -7.846 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.154 11.487 -8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.073 12.657 -9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.564 13.024 -10.120 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.802 16.417 -9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.656 14.990 -9.741 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.120 11.292 -6.046 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.337 11.086 -4.840 1.00 0.00 C ATOM 1723 C PRO A 105 -0.905 10.667 -5.180 1.00 0.00 C ATOM 1724 O PRO A 105 -0.472 10.798 -6.324 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.095 10.027 -4.055 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.016 9.347 -5.056 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.064 10.210 -6.306 1.00 0.00 C ATOM 0 HA PRO A 105 -2.225 11.996 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.409 9.309 -3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.665 10.477 -3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.649 8.349 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.015 9.228 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.780 9.641 -7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.068 10.595 -6.483 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.211 10.171 -4.166 1.00 0.00 N ATOM 1736 CA LYS A 106 1.163 9.732 -4.344 1.00 0.00 C ATOM 1737 C LYS A 106 1.588 8.898 -3.134 1.00 0.00 C ATOM 1738 O LYS A 106 2.717 9.013 -2.662 1.00 0.00 O ATOM 1739 CB LYS A 106 2.077 10.929 -4.617 1.00 0.00 C ATOM 1740 CG LYS A 106 1.337 12.248 -4.385 1.00 0.00 C ATOM 1741 CD LYS A 106 1.454 12.694 -2.926 1.00 0.00 C ATOM 1742 CE LYS A 106 0.624 11.793 -2.009 1.00 0.00 C ATOM 1743 NZ LYS A 106 -0.815 12.115 -2.131 1.00 0.00 N ATOM 0 H LYS A 106 -0.574 10.063 -3.219 1.00 0.00 H new ATOM 0 HA LYS A 106 1.247 9.089 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.951 10.879 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.440 10.887 -5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.746 13.018 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.286 12.131 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.499 12.669 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.117 13.726 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.792 10.747 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.945 11.921 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.354 11.240 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.144 12.570 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.959 12.762 -2.933 1.00 0.00 H new ATOM 1757 N GLU A 107 0.659 8.076 -2.667 1.00 0.00 N ATOM 1758 CA GLU A 107 0.923 7.222 -1.522 1.00 0.00 C ATOM 1759 C GLU A 107 0.714 5.753 -1.895 1.00 0.00 C ATOM 1760 O GLU A 107 -0.015 5.446 -2.837 1.00 0.00 O ATOM 1761 CB GLU A 107 0.047 7.615 -0.331 1.00 0.00 C ATOM 1762 CG GLU A 107 0.419 9.005 0.189 1.00 0.00 C ATOM 1763 CD GLU A 107 -0.803 9.719 0.770 1.00 0.00 C ATOM 1764 OE1 GLU A 107 -1.060 9.513 1.976 1.00 0.00 O ATOM 1765 OE2 GLU A 107 -1.452 10.454 -0.005 1.00 0.00 O ATOM 0 H GLU A 107 -0.277 7.984 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 107 1.963 7.357 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.002 7.602 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.162 6.882 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.190 8.916 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.841 9.599 -0.622 1.00 0.00 H new ATOM 1772 N ALA A 108 1.367 4.884 -1.137 1.00 0.00 N ATOM 1773 CA ALA A 108 1.262 3.455 -1.376 1.00 0.00 C ATOM 1774 C ALA A 108 1.041 2.734 -0.045 1.00 0.00 C ATOM 1775 O ALA A 108 1.515 3.186 0.996 1.00 0.00 O ATOM 1776 CB ALA A 108 2.516 2.965 -2.103 1.00 0.00 C ATOM 0 H ALA A 108 1.971 5.143 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 108 0.407 3.235 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 108 2.437 1.893 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.611 3.486 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.394 3.167 -1.490 1.00 0.00 H new ATOM 1782 N LEU A 109 0.320 1.625 -0.121 1.00 0.00 N ATOM 1783 CA LEU A 109 0.031 0.837 1.065 1.00 0.00 C ATOM 1784 C LEU A 109 0.732 -0.518 0.956 1.00 0.00 C ATOM 1785 O LEU A 109 0.466 -1.286 0.033 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.480 0.732 1.282 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.359 1.222 0.130 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -3.599 0.339 -0.027 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.725 2.697 0.308 1.00 0.00 C ATOM 0 H LEU A 109 -0.073 1.253 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 109 0.425 1.329 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.727 -0.311 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.739 1.299 2.176 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.787 1.142 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.207 0.709 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.292 -0.686 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.183 0.365 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.350 3.020 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.271 2.826 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.815 3.297 0.333 1.00 0.00 H new ATOM 1801 N TRP A 110 1.615 -0.770 1.911 1.00 0.00 N ATOM 1802 CA TRP A 110 2.357 -2.019 1.933 1.00 0.00 C ATOM 1803 C TRP A 110 1.775 -2.895 3.045 1.00 0.00 C ATOM 1804 O TRP A 110 1.523 -2.416 4.149 1.00 0.00 O ATOM 1805 CB TRP A 110 3.857 -1.764 2.098 1.00 0.00 C ATOM 1806 CG TRP A 110 4.731 -2.988 1.817 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.526 -3.210 0.762 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.868 -4.156 2.653 1.00 0.00 C ATOM 1809 NE1 TRP A 110 6.162 -4.431 0.855 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.749 -5.024 2.042 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.266 -4.469 3.885 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 6.108 -6.262 2.589 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.636 -5.710 4.418 1.00 0.00 C ATOM 1814 CH2 TRP A 110 5.522 -6.595 3.815 1.00 0.00 C ATOM 0 H TRP A 110 1.833 -0.131 2.675 1.00 0.00 H new ATOM 0 HA TRP A 110 2.254 -2.545 0.984 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.154 -0.957 1.428 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.047 -1.420 3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.653 -2.520 -0.059 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.815 -4.825 0.178 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.573 -3.805 4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.800 -6.925 2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.203 -6.000 5.364 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.757 -7.536 4.291 1.00 0.00 H new ATOM 1825 N VAL A 111 1.578 -4.163 2.713 1.00 0.00 N ATOM 1826 CA VAL A 111 1.029 -5.109 3.670 1.00 0.00 C ATOM 1827 C VAL A 111 1.413 -6.530 3.251 1.00 0.00 C ATOM 1828 O VAL A 111 1.175 -6.931 2.113 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.482 -4.910 3.795 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.816 -3.463 4.164 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.199 -5.328 2.510 1.00 0.00 C ATOM 0 H VAL A 111 1.788 -4.557 1.796 1.00 0.00 H new ATOM 0 HA VAL A 111 1.448 -4.937 4.661 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.838 -5.552 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.897 -3.349 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.351 -3.214 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.438 -2.794 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.272 -5.176 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.835 -4.725 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.001 -6.381 2.309 1.00 0.00 H new ATOM 1841 N ASP A 112 2.000 -7.253 4.194 1.00 0.00 N ATOM 1842 CA ASP A 112 2.418 -8.620 3.937 1.00 0.00 C ATOM 1843 C ASP A 112 1.470 -9.583 4.655 1.00 0.00 C ATOM 1844 O ASP A 112 0.919 -9.250 5.704 1.00 0.00 O ATOM 1845 CB ASP A 112 3.833 -8.871 4.461 1.00 0.00 C ATOM 1846 CG ASP A 112 4.030 -10.209 5.177 1.00 0.00 C ATOM 1847 OD1 ASP A 112 3.809 -10.233 6.407 1.00 0.00 O ATOM 1848 OD2 ASP A 112 4.396 -11.178 4.477 1.00 0.00 O ATOM 0 H ASP A 112 2.196 -6.917 5.137 1.00 0.00 H new ATOM 0 HA ASP A 112 2.399 -8.781 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.529 -8.818 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.098 -8.067 5.147 1.00 0.00 H new ATOM 1853 N TRP A 113 1.308 -10.756 4.062 1.00 0.00 N ATOM 1854 CA TRP A 113 0.436 -11.769 4.632 1.00 0.00 C ATOM 1855 C TRP A 113 1.275 -13.021 4.898 1.00 0.00 C ATOM 1856 O TRP A 113 0.755 -14.035 5.359 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.763 -12.036 3.721 1.00 0.00 C ATOM 1858 CG TRP A 113 -2.034 -12.445 4.469 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -3.036 -11.658 4.885 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.401 -13.781 4.875 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -4.017 -12.386 5.527 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.618 -13.718 5.521 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.725 -15.002 4.702 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.267 -14.842 6.045 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.387 -16.116 5.232 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -3.613 -16.069 5.885 1.00 0.00 C ATOM 0 H TRP A 113 1.766 -11.028 3.192 1.00 0.00 H new ATOM 0 HA TRP A 113 0.013 -11.426 5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.970 -11.139 3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.501 -12.823 3.014 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.071 -10.589 4.736 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.877 -12.015 5.932 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.771 -15.075 4.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.221 -14.767 6.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.911 -17.080 5.126 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.059 -16.975 6.267 1.00 0.00 H new ATOM 1877 N GLU A 114 2.560 -12.908 4.595 1.00 0.00 N ATOM 1878 CA GLU A 114 3.477 -14.018 4.794 1.00 0.00 C ATOM 1879 C GLU A 114 4.044 -13.989 6.215 1.00 0.00 C ATOM 1880 O GLU A 114 4.105 -15.019 6.884 1.00 0.00 O ATOM 1881 CB GLU A 114 4.599 -13.996 3.755 1.00 0.00 C ATOM 1882 CG GLU A 114 4.593 -15.274 2.914 1.00 0.00 C ATOM 1883 CD GLU A 114 4.449 -16.513 3.800 1.00 0.00 C ATOM 1884 OE1 GLU A 114 5.052 -16.500 4.895 1.00 0.00 O ATOM 1885 OE2 GLU A 114 3.740 -17.445 3.362 1.00 0.00 O ATOM 0 H GLU A 114 2.988 -12.065 4.213 1.00 0.00 H new ATOM 0 HA GLU A 114 2.925 -14.948 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.481 -13.129 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.561 -13.891 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.773 -15.238 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.517 -15.339 2.339 1.00 0.00 H new ATOM 1892 N ASN A 115 4.445 -12.797 6.634 1.00 0.00 N ATOM 1893 CA ASN A 115 5.005 -12.620 7.963 1.00 0.00 C ATOM 1894 C ASN A 115 4.032 -11.806 8.817 1.00 0.00 C ATOM 1895 O ASN A 115 4.415 -11.261 9.852 1.00 0.00 O ATOM 1896 CB ASN A 115 6.332 -11.861 7.904 1.00 0.00 C ATOM 1897 CG ASN A 115 7.488 -12.802 7.557 1.00 0.00 C ATOM 1898 OD1 ASN A 115 7.360 -13.715 6.757 1.00 0.00 O ATOM 1899 ND2 ASN A 115 8.619 -12.531 8.201 1.00 0.00 N ATOM 0 H ASN A 115 4.393 -11.945 6.076 1.00 0.00 H new ATOM 0 HA ASN A 115 5.173 -13.607 8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.268 -11.068 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.524 -11.382 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.448 -13.103 8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 115 8.658 -11.752 8.858 1.00 0.00 H new ATOM 1906 N LYS A 116 2.792 -11.748 8.353 1.00 0.00 N ATOM 1907 CA LYS A 116 1.762 -11.010 9.063 1.00 0.00 C ATOM 1908 C LYS A 116 2.250 -9.584 9.324 1.00 0.00 C ATOM 1909 O LYS A 116 2.215 -9.110 10.459 1.00 0.00 O ATOM 1910 CB LYS A 116 1.342 -11.758 10.329 1.00 0.00 C ATOM 1911 CG LYS A 116 2.326 -11.499 11.471 1.00 0.00 C ATOM 1912 CD LYS A 116 3.064 -12.781 11.861 1.00 0.00 C ATOM 1913 CE LYS A 116 3.389 -12.794 13.356 1.00 0.00 C ATOM 1914 NZ LYS A 116 3.784 -14.153 13.789 1.00 0.00 N ATOM 0 H LYS A 116 2.478 -12.200 7.494 1.00 0.00 H new ATOM 0 HA LYS A 116 0.861 -10.932 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.342 -11.442 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.291 -12.827 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.046 -10.738 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.790 -11.106 12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.452 -13.648 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.985 -12.864 11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.195 -12.091 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.521 -12.462 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 4.001 -14.144 14.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.003 -14.816 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.626 -14.456 13.258 1.00 0.00 H new ATOM 1928 N LEU A 117 2.696 -8.940 8.255 1.00 0.00 N ATOM 1929 CA LEU A 117 3.191 -7.577 8.355 1.00 0.00 C ATOM 1930 C LEU A 117 2.227 -6.634 7.633 1.00 0.00 C ATOM 1931 O LEU A 117 1.634 -7.004 6.621 1.00 0.00 O ATOM 1932 CB LEU A 117 4.632 -7.492 7.846 1.00 0.00 C ATOM 1933 CG LEU A 117 5.711 -7.305 8.914 1.00 0.00 C ATOM 1934 CD1 LEU A 117 7.099 -7.620 8.352 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.643 -5.904 9.523 1.00 0.00 C ATOM 0 H LEU A 117 2.725 -9.337 7.316 1.00 0.00 H new ATOM 0 HA LEU A 117 3.226 -7.260 9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.854 -8.402 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.699 -6.663 7.141 1.00 0.00 H new ATOM 0 HG LEU A 117 5.521 -8.015 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.848 -7.479 9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.125 -8.653 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.314 -6.952 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.421 -5.798 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.793 -5.160 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.666 -5.754 9.984 1.00 0.00 H new ATOM 1947 N VAL A 118 2.101 -5.435 8.182 1.00 0.00 N ATOM 1948 CA VAL A 118 1.219 -4.436 7.602 1.00 0.00 C ATOM 1949 C VAL A 118 1.765 -3.040 7.909 1.00 0.00 C ATOM 1950 O VAL A 118 2.272 -2.795 9.002 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.210 -4.644 8.108 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -1.109 -3.472 7.707 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.782 -5.971 7.607 1.00 0.00 C ATOM 0 H VAL A 118 2.595 -5.133 9.022 1.00 0.00 H new ATOM 0 HA VAL A 118 1.184 -4.540 6.518 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.177 -4.684 9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.119 -3.644 8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.717 -2.550 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.132 -3.386 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.798 -6.094 7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.794 -5.974 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.162 -6.793 7.965 1.00 0.00 H new ATOM 1963 N GLY A 119 1.642 -2.162 6.924 1.00 0.00 N ATOM 1964 CA GLY A 119 2.117 -0.798 7.075 1.00 0.00 C ATOM 1965 C GLY A 119 1.519 0.113 6.001 1.00 0.00 C ATOM 1966 O GLY A 119 1.012 -0.366 4.988 1.00 0.00 O ATOM 0 H GLY A 119 1.220 -2.369 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.851 -0.424 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.205 -0.779 7.009 1.00 0.00 H new ATOM 1970 N ASN A 120 1.599 1.410 6.259 1.00 0.00 N ATOM 1971 CA ASN A 120 1.072 2.392 5.327 1.00 0.00 C ATOM 1972 C ASN A 120 2.210 3.295 4.846 1.00 0.00 C ATOM 1973 O ASN A 120 3.256 3.377 5.488 1.00 0.00 O ATOM 1974 CB ASN A 120 0.017 3.276 5.996 1.00 0.00 C ATOM 1975 CG ASN A 120 0.670 4.460 6.713 1.00 0.00 C ATOM 1976 OD1 ASN A 120 0.869 5.526 6.152 1.00 0.00 O ATOM 1977 ND2 ASN A 120 0.990 4.215 7.980 1.00 0.00 N ATOM 0 H ASN A 120 2.021 1.804 7.100 1.00 0.00 H new ATOM 0 HA ASN A 120 0.617 1.856 4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.685 3.642 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.558 2.686 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 120 1.430 4.942 8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.795 3.300 8.387 1.00 0.00 H new ATOM 1984 N GLU A 121 1.967 3.950 3.720 1.00 0.00 N ATOM 1985 CA GLU A 121 2.959 4.844 3.145 1.00 0.00 C ATOM 1986 C GLU A 121 4.138 4.042 2.592 1.00 0.00 C ATOM 1987 O GLU A 121 4.280 2.856 2.886 1.00 0.00 O ATOM 1988 CB GLU A 121 3.430 5.873 4.174 1.00 0.00 C ATOM 1989 CG GLU A 121 2.851 7.256 3.871 1.00 0.00 C ATOM 1990 CD GLU A 121 3.662 8.354 4.562 1.00 0.00 C ATOM 1991 OE1 GLU A 121 4.907 8.273 4.485 1.00 0.00 O ATOM 1992 OE2 GLU A 121 3.019 9.250 5.150 1.00 0.00 O ATOM 0 H GLU A 121 1.098 3.880 3.190 1.00 0.00 H new ATOM 0 HA GLU A 121 2.497 5.388 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.127 5.559 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.519 5.922 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.848 7.425 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.814 7.301 4.204 1.00 0.00 H new ATOM 1999 N PRO A 122 4.976 4.739 1.779 1.00 0.00 N ATOM 2000 CA PRO A 122 6.139 4.105 1.181 1.00 0.00 C ATOM 2001 C PRO A 122 7.249 3.910 2.216 1.00 0.00 C ATOM 2002 O PRO A 122 7.903 2.868 2.241 1.00 0.00 O ATOM 2003 CB PRO A 122 6.545 5.024 0.040 1.00 0.00 C ATOM 2004 CG PRO A 122 5.887 6.363 0.329 1.00 0.00 C ATOM 2005 CD PRO A 122 4.839 6.145 1.408 1.00 0.00 C ATOM 0 HA PRO A 122 5.928 3.102 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.629 5.125 -0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.214 4.625 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.629 7.090 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.427 6.765 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.009 6.799 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.837 6.361 1.036 1.00 0.00 H new ATOM 2013 N ALA A 123 7.429 4.929 3.043 1.00 0.00 N ATOM 2014 CA ALA A 123 8.449 4.883 4.077 1.00 0.00 C ATOM 2015 C ALA A 123 8.327 3.567 4.849 1.00 0.00 C ATOM 2016 O ALA A 123 9.314 3.062 5.381 1.00 0.00 O ATOM 2017 CB ALA A 123 8.311 6.106 4.986 1.00 0.00 C ATOM 0 H ALA A 123 6.886 5.792 3.018 1.00 0.00 H new ATOM 0 HA ALA A 123 9.445 4.916 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.076 6.071 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.434 7.014 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 123 7.324 6.105 5.450 1.00 0.00 H new ATOM 2023 N ASP A 124 7.108 3.049 4.885 1.00 0.00 N ATOM 2024 CA ASP A 124 6.845 1.802 5.582 1.00 0.00 C ATOM 2025 C ASP A 124 7.697 0.690 4.968 1.00 0.00 C ATOM 2026 O ASP A 124 8.351 -0.065 5.687 1.00 0.00 O ATOM 2027 CB ASP A 124 5.375 1.398 5.452 1.00 0.00 C ATOM 2028 CG ASP A 124 5.099 -0.099 5.610 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.920 -0.759 6.284 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.074 -0.549 5.054 1.00 0.00 O ATOM 0 H ASP A 124 6.291 3.471 4.442 1.00 0.00 H new ATOM 0 HA ASP A 124 7.088 1.946 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.797 1.940 6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.011 1.718 4.476 1.00 0.00 H new ATOM 2035 N ILE A 125 7.662 0.623 3.645 1.00 0.00 N ATOM 2036 CA ILE A 125 8.423 -0.385 2.926 1.00 0.00 C ATOM 2037 C ILE A 125 9.872 -0.372 3.420 1.00 0.00 C ATOM 2038 O ILE A 125 10.385 -1.393 3.875 1.00 0.00 O ATOM 2039 CB ILE A 125 8.287 -0.183 1.416 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.374 -1.246 0.801 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.659 -0.146 0.741 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.912 -1.714 -0.553 1.00 0.00 C ATOM 0 H ILE A 125 7.119 1.250 3.052 1.00 0.00 H new ATOM 0 HA ILE A 125 8.025 -1.379 3.128 1.00 0.00 H new ATOM 0 HB ILE A 125 7.817 0.785 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.293 -2.097 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.370 -0.840 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.533 -0.001 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.244 0.677 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.179 -1.087 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.245 -2.469 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.969 -0.866 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.906 -2.141 -0.422 1.00 0.00 H new ATOM 2054 N ASP A 126 10.489 0.795 3.313 1.00 0.00 N ATOM 2055 CA ASP A 126 11.868 0.954 3.743 1.00 0.00 C ATOM 2056 C ASP A 126 12.050 0.297 5.112 1.00 0.00 C ATOM 2057 O ASP A 126 12.897 -0.580 5.277 1.00 0.00 O ATOM 2058 CB ASP A 126 12.237 2.433 3.875 1.00 0.00 C ATOM 2059 CG ASP A 126 13.380 2.730 4.847 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.218 1.821 5.033 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.390 3.859 5.383 1.00 0.00 O ATOM 0 H ASP A 126 10.060 1.640 2.935 1.00 0.00 H new ATOM 0 HA ASP A 126 12.510 0.488 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.509 2.813 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.354 2.985 4.197 1.00 0.00 H new ATOM 2066 N LYS A 127 11.241 0.747 6.061 1.00 0.00 N ATOM 2067 CA LYS A 127 11.302 0.214 7.411 1.00 0.00 C ATOM 2068 C LYS A 127 11.077 -1.299 7.368 1.00 0.00 C ATOM 2069 O LYS A 127 11.904 -2.067 7.857 1.00 0.00 O ATOM 2070 CB LYS A 127 10.324 0.955 8.324 1.00 0.00 C ATOM 2071 CG LYS A 127 10.566 2.465 8.276 1.00 0.00 C ATOM 2072 CD LYS A 127 12.044 2.776 8.036 1.00 0.00 C ATOM 2073 CE LYS A 127 12.345 4.252 8.304 1.00 0.00 C ATOM 2074 NZ LYS A 127 12.156 4.567 9.738 1.00 0.00 N ATOM 0 H LYS A 127 10.540 1.475 5.921 1.00 0.00 H new ATOM 0 HA LYS A 127 12.290 0.378 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.300 0.737 8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.435 0.598 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.964 2.908 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.243 2.919 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.660 2.152 8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.309 2.528 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 127 13.369 4.480 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.690 4.879 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 12.724 5.401 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 11.151 4.765 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 12.459 3.756 10.314 1.00 0.00 H new ATOM 2088 N TYR A 128 9.954 -1.682 6.779 1.00 0.00 N ATOM 2089 CA TYR A 128 9.610 -3.089 6.666 1.00 0.00 C ATOM 2090 C TYR A 128 10.530 -3.800 5.672 1.00 0.00 C ATOM 2091 O TYR A 128 11.522 -4.412 6.066 1.00 0.00 O ATOM 2092 CB TYR A 128 8.175 -3.131 6.134 1.00 0.00 C ATOM 2093 CG TYR A 128 7.111 -2.830 7.192 1.00 0.00 C ATOM 2094 CD1 TYR A 128 7.308 -1.808 8.098 1.00 0.00 C ATOM 2095 CD2 TYR A 128 5.954 -3.581 7.239 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.306 -1.525 9.093 1.00 0.00 C ATOM 2097 CE2 TYR A 128 4.953 -3.298 8.235 1.00 0.00 C ATOM 2098 CZ TYR A 128 5.178 -2.284 9.112 1.00 0.00 C ATOM 2099 OH TYR A 128 4.232 -2.017 10.052 1.00 0.00 O ATOM 0 H TYR A 128 9.270 -1.042 6.375 1.00 0.00 H new ATOM 0 HA TYR A 128 9.714 -3.588 7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.078 -2.411 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 128 7.984 -4.117 5.711 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.213 -1.220 8.061 1.00 0.00 H new ATOM 0 HD2 TYR A 128 5.799 -4.380 6.529 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.447 -0.728 9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.044 -3.879 8.284 1.00 0.00 H new ATOM 0 HH TYR A 128 3.474 -2.627 9.935 1.00 0.00 H new ATOM 2109 N ILE A 129 10.169 -3.697 4.401 1.00 0.00 N ATOM 2110 CA ILE A 129 10.949 -4.322 3.348 1.00 0.00 C ATOM 2111 C ILE A 129 11.234 -3.295 2.250 1.00 0.00 C ATOM 2112 O ILE A 129 10.408 -3.085 1.363 1.00 0.00 O ATOM 2113 CB ILE A 129 10.251 -5.586 2.841 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.734 -5.391 2.792 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.646 -6.804 3.678 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.098 -5.695 4.150 1.00 0.00 C ATOM 0 H ILE A 129 9.346 -3.189 4.077 1.00 0.00 H new ATOM 0 HA ILE A 129 11.913 -4.651 3.735 1.00 0.00 H new ATOM 0 HB ILE A 129 10.585 -5.775 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.505 -4.366 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.304 -6.043 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.136 -7.689 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.724 -6.953 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.360 -6.640 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.020 -5.549 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.309 -6.728 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.512 -5.025 4.904 1.00 0.00 H new ATOM 2128 N ILE A 130 12.404 -2.681 2.347 1.00 0.00 N ATOM 2129 CA ILE A 130 12.807 -1.681 1.374 1.00 0.00 C ATOM 2130 C ILE A 130 12.382 -2.135 -0.024 1.00 0.00 C ATOM 2131 O ILE A 130 11.191 -2.277 -0.299 1.00 0.00 O ATOM 2132 CB ILE A 130 14.304 -1.387 1.496 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.092 -2.667 1.780 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.567 -0.307 2.547 1.00 0.00 C ATOM 2135 CD1 ILE A 130 16.131 -2.926 0.687 1.00 0.00 C ATOM 0 H ILE A 130 13.086 -2.857 3.085 1.00 0.00 H new ATOM 0 HA ILE A 130 12.303 -0.735 1.570 1.00 0.00 H new ATOM 0 HB ILE A 130 14.655 -0.998 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.589 -2.585 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.408 -3.513 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.638 -0.117 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.053 0.611 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.197 -0.644 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.677 -3.842 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.629 -3.031 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 130 16.828 -2.090 0.642 1.00 0.00 H new ATOM 2147 N GLN A 131 13.378 -2.349 -0.871 1.00 0.00 N ATOM 2148 CA GLN A 131 13.122 -2.784 -2.233 1.00 0.00 C ATOM 2149 C GLN A 131 13.497 -4.258 -2.399 1.00 0.00 C ATOM 2150 O GLN A 131 12.820 -4.998 -3.112 1.00 0.00 O ATOM 2151 CB GLN A 131 13.875 -1.910 -3.238 1.00 0.00 C ATOM 2152 CG GLN A 131 14.084 -0.498 -2.688 1.00 0.00 C ATOM 2153 CD GLN A 131 15.367 -0.417 -1.859 1.00 0.00 C ATOM 2154 OE1 GLN A 131 16.281 -1.212 -2.003 1.00 0.00 O ATOM 2155 NE2 GLN A 131 15.384 0.586 -0.985 1.00 0.00 N ATOM 0 H GLN A 131 14.364 -2.229 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 131 12.056 -2.676 -2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 131 14.840 -2.362 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.317 -1.861 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.134 0.213 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.231 -0.214 -2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.585 1.216 -0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 131 16.197 0.725 -0.384 1.00 0.00 H new ATOM 2164 N ARG A 132 14.575 -4.641 -1.730 1.00 0.00 N ATOM 2165 CA ARG A 132 15.048 -6.013 -1.795 1.00 0.00 C ATOM 2166 C ARG A 132 14.581 -6.794 -0.565 1.00 0.00 C ATOM 2167 O ARG A 132 14.438 -8.015 -0.618 1.00 0.00 O ATOM 2168 CB ARG A 132 16.575 -6.066 -1.874 1.00 0.00 C ATOM 2169 CG ARG A 132 17.206 -5.713 -0.525 1.00 0.00 C ATOM 2170 CD ARG A 132 18.284 -6.730 -0.142 1.00 0.00 C ATOM 2171 NE ARG A 132 19.386 -6.695 -1.128 1.00 0.00 N ATOM 2172 CZ ARG A 132 20.316 -5.732 -1.181 1.00 0.00 C ATOM 2173 NH1 ARG A 132 20.283 -4.719 -0.305 1.00 0.00 N ATOM 2174 NH2 ARG A 132 21.280 -5.782 -2.111 1.00 0.00 N ATOM 0 H ARG A 132 15.134 -4.025 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 132 14.633 -6.464 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.893 -7.063 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.928 -5.372 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.643 -4.715 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.435 -5.687 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.668 -6.507 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.853 -7.731 -0.101 1.00 0.00 H new ATOM 0 HE ARG A 132 19.441 -7.451 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.550 -4.681 0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 132 20.991 -3.986 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 132 21.305 -6.553 -2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.988 -5.049 -2.152 1.00 0.00 H new ATOM 2188 N LYS A 133 14.355 -6.058 0.514 1.00 0.00 N ATOM 2189 CA LYS A 133 13.906 -6.667 1.754 1.00 0.00 C ATOM 2190 C LYS A 133 12.423 -7.020 1.637 1.00 0.00 C ATOM 2191 O LYS A 133 12.061 -8.196 1.615 1.00 0.00 O ATOM 2192 CB LYS A 133 14.230 -5.760 2.944 1.00 0.00 C ATOM 2193 CG LYS A 133 14.566 -6.585 4.187 1.00 0.00 C ATOM 2194 CD LYS A 133 13.916 -7.969 4.119 1.00 0.00 C ATOM 2195 CE LYS A 133 13.654 -8.522 5.521 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.851 -9.227 6.032 1.00 0.00 N ATOM 0 H LYS A 133 14.475 -5.046 0.555 1.00 0.00 H new ATOM 0 HA LYS A 133 14.442 -7.598 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.071 -5.113 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.380 -5.111 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.647 -6.691 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.222 -6.061 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.978 -7.907 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 133 14.564 -8.652 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.388 -7.708 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 133 12.805 -9.205 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.579 -9.845 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 15.267 -9.801 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 15.550 -8.531 6.362 1.00 0.00 H new TER 2210 LYS A 133