USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1093 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 115 TYR OH : rot -74:sc= 0.787 USER MOD Set 1.2: A 121 TYR OH : rot 160:sc= -0.211 USER MOD Set 2.1: A 64 TYR OH : rot -176:sc= 0.949 USER MOD Set 2.2: A 81 ASN : amide:sc= 0.439 K(o=0.66,f=-0.51) USER MOD Set 2.3: A 84 HIS : no HE2:sc= -0.733 K(o=0.66,f=-3.5!) USER MOD Set 3.1: A 74 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Set 3.2: A 104 HIS : no HD1:sc= 0.00783 X(o=-1.3,f=-1.7) USER MOD Set 4.1: A 67 LYS NZ :NH3+ -157:sc= 0.113 (180deg=0) USER MOD Set 4.2: A 71 ASN : amide:sc= -0.283 X(o=-0.17,f=-0.089) USER MOD Set 5.1: A 15 ASN : amide:sc= 0.475 K(o=0.76,f=-0.63) USER MOD Set 5.2: A 142 HIS : no HE2:sc= 0.284 K(o=0.76,f=-3.3!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0471 (180deg=-0.374) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.06) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 69:sc= 0.916 USER MOD Single : A 24 GLN : amide:sc= 0.0151 X(o=0.015,f=-0.14) USER MOD Single : A 28 ASN : amide:sc= 0.23 K(o=0.23,f=-2.5!) USER MOD Single : A 30 TYR OH : rot 30:sc= -0.151 USER MOD Single : A 32 MET CE :methyl -114:sc= -0.201 (180deg=-0.318) USER MOD Single : A 33 SER OG : rot -54:sc= 0.0696 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -85:sc= 0.847 USER MOD Single : A 70 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.45) USER MOD Single : A 72 ASN : amide:sc= -0.677 K(o=-0.68,f=-2.1!) USER MOD Single : A 75 ASN : amide:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0503 X(o=-0.05,f=-0.064) USER MOD Single : A 99 HIS : no HE2:sc= 0.179 K(o=0.18,f=-0.87) USER MOD Single : A 102 THR OG1 : rot 75:sc= 0.764 USER MOD Single : A 103 TYR OH : rot 150:sc= 0.557 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-0.01) USER MOD Single : A 108 TYR OH : rot -133:sc= 0.767 USER MOD Single : A 113 ASN : amide:sc= -0.934 K(o=-0.93,f=-3.3!) USER MOD Single : A 114 SER OG : rot 68:sc= 0.653 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 122 THR OG1 : rot 76:sc= 0.377 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 132 TYR OH : rot 26:sc= 0.154 USER MOD Single : A 138 HIS : no HE2:sc= 0.125 K(o=0.12,f=-0.67) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 140 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.2) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.122 -7.701 -8.374 1.00 72.54 N ATOM 2 CA MET A 1 12.982 -8.633 -8.605 1.00 43.13 C ATOM 3 C MET A 1 11.907 -8.480 -7.494 1.00 34.24 C ATOM 4 O MET A 1 12.246 -8.518 -6.305 1.00 63.53 O ATOM 5 CB MET A 1 13.478 -10.105 -8.661 1.00 75.41 C ATOM 6 CG MET A 1 14.473 -10.407 -9.789 1.00 71.34 C ATOM 7 SD MET A 1 15.013 -12.133 -9.802 1.00 52.32 S ATOM 8 CE MET A 1 15.883 -12.271 -8.233 1.00 64.34 C ATOM 0 H1 MET A 1 14.760 -7.723 -9.195 1.00 72.54 H new ATOM 0 H2 MET A 1 13.760 -6.735 -8.242 1.00 72.54 H new ATOM 0 H3 MET A 1 14.643 -7.994 -7.523 1.00 72.54 H new ATOM 0 HA MET A 1 12.531 -8.376 -9.564 1.00 43.13 H new ATOM 0 HB2 MET A 1 13.945 -10.353 -7.708 1.00 75.41 H new ATOM 0 HB3 MET A 1 12.614 -10.761 -8.772 1.00 75.41 H new ATOM 0 HG2 MET A 1 14.012 -10.168 -10.748 1.00 71.34 H new ATOM 0 HG3 MET A 1 15.343 -9.759 -9.683 1.00 71.34 H new ATOM 0 HE1 MET A 1 16.485 -13.180 -8.229 1.00 64.34 H new ATOM 0 HE2 MET A 1 16.532 -11.405 -8.099 1.00 64.34 H new ATOM 0 HE3 MET A 1 15.160 -12.312 -7.418 1.00 64.34 H new ATOM 20 N PRO A 2 10.600 -8.279 -7.857 1.00 24.54 N ATOM 21 CA PRO A 2 9.480 -8.369 -6.888 1.00 62.34 C ATOM 22 C PRO A 2 9.001 -9.830 -6.674 1.00 44.10 C ATOM 23 O PRO A 2 9.452 -10.756 -7.359 1.00 22.35 O ATOM 24 CB PRO A 2 8.384 -7.521 -7.572 1.00 55.01 C ATOM 25 CG PRO A 2 8.605 -7.742 -9.042 1.00 21.22 C ATOM 26 CD PRO A 2 10.107 -7.914 -9.220 1.00 65.40 C ATOM 0 HA PRO A 2 9.754 -8.024 -5.891 1.00 62.34 H new ATOM 0 HB2 PRO A 2 7.387 -7.840 -7.268 1.00 55.01 H new ATOM 0 HB3 PRO A 2 8.476 -6.467 -7.310 1.00 55.01 H new ATOM 0 HG2 PRO A 2 8.068 -8.625 -9.389 1.00 21.22 H new ATOM 0 HG3 PRO A 2 8.238 -6.896 -9.623 1.00 21.22 H new ATOM 0 HD2 PRO A 2 10.335 -8.693 -9.947 1.00 65.40 H new ATOM 0 HD3 PRO A 2 10.573 -6.996 -9.579 1.00 65.40 H new ATOM 34 N LEU A 3 8.097 -10.027 -5.707 1.00 63.12 N ATOM 35 CA LEU A 3 7.386 -11.309 -5.523 1.00 35.04 C ATOM 36 C LEU A 3 6.073 -11.303 -6.309 1.00 43.45 C ATOM 37 O LEU A 3 5.368 -10.306 -6.326 1.00 10.14 O ATOM 38 CB LEU A 3 7.129 -11.592 -4.015 1.00 45.23 C ATOM 39 CG LEU A 3 8.335 -12.209 -3.242 1.00 32.04 C ATOM 40 CD1 LEU A 3 8.010 -12.390 -1.749 1.00 72.25 C ATOM 41 CD2 LEU A 3 8.752 -13.552 -3.885 1.00 41.20 C ATOM 0 H LEU A 3 7.835 -9.310 -5.031 1.00 63.12 H new ATOM 0 HA LEU A 3 8.016 -12.111 -5.908 1.00 35.04 H new ATOM 0 HB2 LEU A 3 6.846 -10.658 -3.529 1.00 45.23 H new ATOM 0 HB3 LEU A 3 6.278 -12.267 -3.928 1.00 45.23 H new ATOM 0 HG LEU A 3 9.174 -11.516 -3.311 1.00 32.04 H new ATOM 0 HD11 LEU A 3 8.871 -12.822 -1.239 1.00 72.25 H new ATOM 0 HD12 LEU A 3 7.775 -11.421 -1.308 1.00 72.25 H new ATOM 0 HD13 LEU A 3 7.153 -13.055 -1.641 1.00 72.25 H new ATOM 0 HD21 LEU A 3 9.595 -13.972 -3.336 1.00 41.20 H new ATOM 0 HD22 LEU A 3 7.914 -14.248 -3.851 1.00 41.20 H new ATOM 0 HD23 LEU A 3 9.042 -13.384 -4.922 1.00 41.20 H new ATOM 53 N GLU A 4 5.762 -12.417 -6.966 1.00 35.42 N ATOM 54 CA GLU A 4 4.515 -12.574 -7.736 1.00 42.23 C ATOM 55 C GLU A 4 3.733 -13.792 -7.214 1.00 33.34 C ATOM 56 O GLU A 4 4.309 -14.863 -6.981 1.00 73.01 O ATOM 57 CB GLU A 4 4.847 -12.763 -9.242 1.00 40.12 C ATOM 58 CG GLU A 4 3.622 -13.026 -10.149 1.00 30.22 C ATOM 59 CD GLU A 4 4.014 -13.441 -11.577 1.00 61.15 C ATOM 60 OE1 GLU A 4 4.302 -14.641 -11.792 1.00 1.20 O ATOM 61 OE2 GLU A 4 4.056 -12.577 -12.483 1.00 41.12 O ATOM 0 H GLU A 4 6.363 -13.241 -6.984 1.00 35.42 H new ATOM 0 HA GLU A 4 3.904 -11.680 -7.617 1.00 42.23 H new ATOM 0 HB2 GLU A 4 5.362 -11.872 -9.601 1.00 40.12 H new ATOM 0 HB3 GLU A 4 5.543 -13.596 -9.344 1.00 40.12 H new ATOM 0 HG2 GLU A 4 3.008 -13.809 -9.704 1.00 30.22 H new ATOM 0 HG3 GLU A 4 3.009 -12.126 -10.193 1.00 30.22 H new ATOM 68 N TRP A 5 2.421 -13.625 -7.033 1.00 40.13 N ATOM 69 CA TRP A 5 1.510 -14.734 -6.717 1.00 23.31 C ATOM 70 C TRP A 5 0.773 -15.215 -7.981 1.00 53.21 C ATOM 71 O TRP A 5 0.377 -14.413 -8.830 1.00 61.24 O ATOM 72 CB TRP A 5 0.486 -14.336 -5.622 1.00 34.40 C ATOM 73 CG TRP A 5 -0.298 -15.523 -5.131 1.00 2.04 C ATOM 74 CD1 TRP A 5 0.205 -16.597 -4.464 1.00 53.43 C ATOM 75 CD2 TRP A 5 -1.694 -15.782 -5.306 1.00 53.43 C ATOM 76 NE1 TRP A 5 -0.782 -17.513 -4.236 1.00 71.33 N ATOM 77 CE2 TRP A 5 -1.956 -17.035 -4.727 1.00 4.13 C ATOM 78 CE3 TRP A 5 -2.741 -15.076 -5.890 1.00 43.53 C ATOM 79 CZ2 TRP A 5 -3.218 -17.606 -4.724 1.00 63.52 C ATOM 80 CZ3 TRP A 5 -3.994 -15.641 -5.883 1.00 11.34 C ATOM 81 CH2 TRP A 5 -4.223 -16.895 -5.301 1.00 33.22 C ATOM 0 H TRP A 5 1.958 -12.719 -7.101 1.00 40.13 H new ATOM 0 HA TRP A 5 2.118 -15.552 -6.331 1.00 23.31 H new ATOM 0 HB2 TRP A 5 1.010 -13.875 -4.785 1.00 34.40 H new ATOM 0 HB3 TRP A 5 -0.199 -13.587 -6.020 1.00 34.40 H new ATOM 0 HD1 TRP A 5 1.235 -16.709 -4.159 1.00 53.43 H new ATOM 0 HE1 TRP A 5 -0.658 -18.412 -3.771 1.00 71.33 H new ATOM 0 HE3 TRP A 5 -2.573 -14.108 -6.338 1.00 43.53 H new ATOM 0 HZ2 TRP A 5 -3.396 -18.575 -4.282 1.00 63.52 H new ATOM 0 HZ3 TRP A 5 -4.818 -15.108 -6.335 1.00 11.34 H new ATOM 0 HH2 TRP A 5 -5.222 -17.306 -5.311 1.00 33.22 H new ATOM 92 N ARG A 6 0.586 -16.537 -8.070 1.00 74.23 N ATOM 93 CA ARG A 6 -0.151 -17.195 -9.165 1.00 64.13 C ATOM 94 C ARG A 6 -1.138 -18.241 -8.590 1.00 43.31 C ATOM 95 O ARG A 6 -0.999 -18.666 -7.436 1.00 33.14 O ATOM 96 CB ARG A 6 0.826 -17.850 -10.197 1.00 60.14 C ATOM 97 CG ARG A 6 1.743 -18.989 -9.665 1.00 11.43 C ATOM 98 CD ARG A 6 2.891 -18.492 -8.759 1.00 41.32 C ATOM 99 NE ARG A 6 3.767 -19.588 -8.314 1.00 24.23 N ATOM 100 CZ ARG A 6 4.876 -19.447 -7.613 1.00 13.45 C ATOM 101 NH1 ARG A 6 5.296 -18.280 -7.217 1.00 22.13 N ATOM 102 NH2 ARG A 6 5.573 -20.493 -7.330 1.00 72.44 N ATOM 0 H ARG A 6 0.946 -17.192 -7.376 1.00 74.23 H new ATOM 0 HA ARG A 6 -0.722 -16.435 -9.698 1.00 64.13 H new ATOM 0 HB2 ARG A 6 0.234 -18.247 -11.022 1.00 60.14 H new ATOM 0 HB3 ARG A 6 1.461 -17.066 -10.609 1.00 60.14 H new ATOM 0 HG2 ARG A 6 1.135 -19.702 -9.108 1.00 11.43 H new ATOM 0 HG3 ARG A 6 2.168 -19.527 -10.513 1.00 11.43 H new ATOM 0 HD2 ARG A 6 3.483 -17.753 -9.299 1.00 41.32 H new ATOM 0 HD3 ARG A 6 2.471 -17.989 -7.888 1.00 41.32 H new ATOM 0 HE ARG A 6 3.494 -20.537 -8.569 1.00 24.23 H new ATOM 0 HH11 ARG A 6 4.763 -17.441 -7.447 1.00 22.13 H new ATOM 0 HH12 ARG A 6 6.158 -18.205 -6.676 1.00 22.13 H new ATOM 0 HH21 ARG A 6 5.265 -21.412 -7.647 1.00 72.44 H new ATOM 0 HH22 ARG A 6 6.433 -20.402 -6.789 1.00 72.44 H new ATOM 116 N ALA A 7 -2.119 -18.660 -9.409 1.00 22.32 N ATOM 117 CA ALA A 7 -3.165 -19.620 -8.990 1.00 40.44 C ATOM 118 C ALA A 7 -2.566 -21.013 -8.659 1.00 70.55 C ATOM 119 O ALA A 7 -1.759 -21.547 -9.429 1.00 73.22 O ATOM 120 CB ALA A 7 -4.238 -19.728 -10.089 1.00 44.45 C ATOM 0 H ALA A 7 -2.212 -18.347 -10.375 1.00 22.32 H new ATOM 0 HA ALA A 7 -3.627 -19.248 -8.076 1.00 40.44 H new ATOM 0 HB1 ALA A 7 -5.007 -20.435 -9.778 1.00 44.45 H new ATOM 0 HB2 ALA A 7 -4.690 -18.750 -10.254 1.00 44.45 H new ATOM 0 HB3 ALA A 7 -3.778 -20.075 -11.014 1.00 44.45 H new ATOM 126 N GLY A 8 -2.955 -21.578 -7.495 1.00 64.24 N ATOM 127 CA GLY A 8 -2.448 -22.891 -7.042 1.00 23.40 C ATOM 128 C GLY A 8 -1.156 -22.829 -6.203 1.00 23.41 C ATOM 129 O GLY A 8 -0.684 -23.868 -5.724 1.00 4.40 O ATOM 0 H GLY A 8 -3.618 -21.145 -6.853 1.00 64.24 H new ATOM 0 HA2 GLY A 8 -3.224 -23.381 -6.454 1.00 23.40 H new ATOM 0 HA3 GLY A 8 -2.268 -23.517 -7.916 1.00 23.40 H new ATOM 133 N ALA A 9 -0.586 -21.614 -6.025 1.00 44.12 N ATOM 134 CA ALA A 9 0.690 -21.410 -5.280 1.00 53.05 C ATOM 135 C ALA A 9 0.559 -21.789 -3.781 1.00 71.43 C ATOM 136 O ALA A 9 -0.524 -21.672 -3.192 1.00 10.21 O ATOM 137 CB ALA A 9 1.186 -19.962 -5.438 1.00 64.53 C ATOM 0 H ALA A 9 -0.990 -20.751 -6.388 1.00 44.12 H new ATOM 0 HA ALA A 9 1.430 -22.081 -5.716 1.00 53.05 H new ATOM 0 HB1 ALA A 9 2.118 -19.834 -4.887 1.00 64.53 H new ATOM 0 HB2 ALA A 9 1.356 -19.749 -6.493 1.00 64.53 H new ATOM 0 HB3 ALA A 9 0.436 -19.276 -5.046 1.00 64.53 H new ATOM 143 N SER A 10 1.689 -22.180 -3.166 1.00 32.41 N ATOM 144 CA SER A 10 1.715 -22.774 -1.801 1.00 33.33 C ATOM 145 C SER A 10 1.609 -21.694 -0.710 1.00 65.21 C ATOM 146 O SER A 10 1.991 -20.545 -0.929 1.00 40.35 O ATOM 147 CB SER A 10 3.020 -23.587 -1.595 1.00 11.32 C ATOM 148 OG SER A 10 3.152 -24.044 -0.249 1.00 14.25 O ATOM 0 H SER A 10 2.612 -22.097 -3.593 1.00 32.41 H new ATOM 0 HA SER A 10 0.852 -23.434 -1.715 1.00 33.33 H new ATOM 0 HB2 SER A 10 3.027 -24.442 -2.271 1.00 11.32 H new ATOM 0 HB3 SER A 10 3.879 -22.968 -1.855 1.00 11.32 H new ATOM 0 HG SER A 10 3.984 -24.553 -0.157 1.00 14.25 H new ATOM 154 N SER A 11 1.105 -22.098 0.474 1.00 1.40 N ATOM 155 CA SER A 11 0.911 -21.198 1.644 1.00 33.34 C ATOM 156 C SER A 11 2.231 -20.539 2.107 1.00 12.02 C ATOM 157 O SER A 11 2.209 -19.446 2.671 1.00 54.43 O ATOM 158 CB SER A 11 0.284 -21.978 2.816 1.00 30.13 C ATOM 159 OG SER A 11 1.148 -23.006 3.277 1.00 0.03 O ATOM 0 H SER A 11 0.818 -23.060 0.653 1.00 1.40 H new ATOM 0 HA SER A 11 0.239 -20.401 1.325 1.00 33.34 H new ATOM 0 HB2 SER A 11 0.063 -21.292 3.634 1.00 30.13 H new ATOM 0 HB3 SER A 11 -0.664 -22.413 2.500 1.00 30.13 H new ATOM 0 HG SER A 11 0.723 -23.481 4.021 1.00 0.03 H new ATOM 165 N ASP A 12 3.366 -21.230 1.869 1.00 62.03 N ATOM 166 CA ASP A 12 4.723 -20.698 2.126 1.00 43.44 C ATOM 167 C ASP A 12 5.064 -19.529 1.181 1.00 71.44 C ATOM 168 O ASP A 12 5.636 -18.516 1.609 1.00 52.35 O ATOM 169 CB ASP A 12 5.772 -21.815 1.953 1.00 13.44 C ATOM 170 CG ASP A 12 5.610 -22.928 2.988 1.00 54.24 C ATOM 171 OD1 ASP A 12 6.128 -22.774 4.115 1.00 54.05 O ATOM 172 OD2 ASP A 12 4.940 -23.936 2.696 1.00 4.55 O ATOM 0 H ASP A 12 3.368 -22.177 1.491 1.00 62.03 H new ATOM 0 HA ASP A 12 4.741 -20.327 3.151 1.00 43.44 H new ATOM 0 HB2 ASP A 12 5.688 -22.238 0.952 1.00 13.44 H new ATOM 0 HB3 ASP A 12 6.771 -21.388 2.035 1.00 13.44 H new ATOM 177 N GLU A 13 4.716 -19.695 -0.106 1.00 20.25 N ATOM 178 CA GLU A 13 4.935 -18.661 -1.136 1.00 0.24 C ATOM 179 C GLU A 13 4.099 -17.410 -0.808 1.00 34.45 C ATOM 180 O GLU A 13 4.613 -16.292 -0.797 1.00 53.50 O ATOM 181 CB GLU A 13 4.565 -19.201 -2.549 1.00 3.15 C ATOM 182 CG GLU A 13 5.136 -20.599 -2.883 1.00 55.42 C ATOM 183 CD GLU A 13 6.653 -20.732 -2.657 1.00 2.01 C ATOM 184 OE1 GLU A 13 7.431 -20.260 -3.513 1.00 44.04 O ATOM 185 OE2 GLU A 13 7.075 -21.298 -1.617 1.00 23.24 O ATOM 0 H GLU A 13 4.277 -20.544 -0.462 1.00 20.25 H new ATOM 0 HA GLU A 13 5.992 -18.394 -1.140 1.00 0.24 H new ATOM 0 HB2 GLU A 13 3.479 -19.238 -2.635 1.00 3.15 H new ATOM 0 HB3 GLU A 13 4.919 -18.492 -3.297 1.00 3.15 H new ATOM 0 HG2 GLU A 13 4.623 -21.344 -2.274 1.00 55.42 H new ATOM 0 HG3 GLU A 13 4.914 -20.830 -3.925 1.00 55.42 H new ATOM 192 N ILE A 14 2.810 -17.645 -0.486 1.00 65.02 N ATOM 193 CA ILE A 14 1.862 -16.580 -0.098 1.00 63.44 C ATOM 194 C ILE A 14 2.296 -15.905 1.223 1.00 3.40 C ATOM 195 O ILE A 14 2.127 -14.714 1.377 1.00 2.30 O ATOM 196 CB ILE A 14 0.386 -17.116 0.057 1.00 42.52 C ATOM 197 CG1 ILE A 14 0.000 -18.022 -1.153 1.00 44.22 C ATOM 198 CG2 ILE A 14 -0.619 -15.939 0.206 1.00 64.44 C ATOM 199 CD1 ILE A 14 -1.400 -18.609 -1.115 1.00 14.43 C ATOM 0 H ILE A 14 2.397 -18.578 -0.488 1.00 65.02 H new ATOM 0 HA ILE A 14 1.877 -15.849 -0.907 1.00 63.44 H new ATOM 0 HB ILE A 14 0.337 -17.718 0.964 1.00 42.52 H new ATOM 0 HG12 ILE A 14 0.105 -17.439 -2.068 1.00 44.22 H new ATOM 0 HG13 ILE A 14 0.716 -18.841 -1.213 1.00 44.22 H new ATOM 0 HG21 ILE A 14 -1.629 -16.334 0.311 1.00 64.44 H new ATOM 0 HG22 ILE A 14 -0.365 -15.353 1.089 1.00 64.44 H new ATOM 0 HG23 ILE A 14 -0.568 -15.303 -0.678 1.00 64.44 H new ATOM 0 HD11 ILE A 14 -1.562 -19.221 -2.002 1.00 14.43 H new ATOM 0 HD12 ILE A 14 -1.512 -19.226 -0.223 1.00 14.43 H new ATOM 0 HD13 ILE A 14 -2.132 -17.802 -1.092 1.00 14.43 H new ATOM 211 N ASN A 15 2.869 -16.688 2.159 1.00 55.55 N ATOM 212 CA ASN A 15 3.384 -16.166 3.454 1.00 12.43 C ATOM 213 C ASN A 15 4.508 -15.135 3.229 1.00 74.33 C ATOM 214 O ASN A 15 4.511 -14.065 3.842 1.00 63.20 O ATOM 215 CB ASN A 15 3.894 -17.328 4.344 1.00 11.53 C ATOM 216 CG ASN A 15 4.399 -16.872 5.718 1.00 62.45 C ATOM 217 OD1 ASN A 15 5.584 -16.618 5.909 1.00 62.34 O ATOM 218 ND2 ASN A 15 3.504 -16.744 6.680 1.00 23.41 N ATOM 0 H ASN A 15 2.990 -17.694 2.046 1.00 55.55 H new ATOM 0 HA ASN A 15 2.561 -15.667 3.965 1.00 12.43 H new ATOM 0 HB2 ASN A 15 3.088 -18.049 4.483 1.00 11.53 H new ATOM 0 HB3 ASN A 15 4.699 -17.847 3.824 1.00 11.53 H new ATOM 0 HD21 ASN A 15 3.792 -16.428 7.606 1.00 23.41 H new ATOM 0 HD22 ASN A 15 2.524 -16.961 6.497 1.00 23.41 H new ATOM 225 N ALA A 16 5.450 -15.477 2.329 1.00 34.24 N ATOM 226 CA ALA A 16 6.568 -14.586 1.945 1.00 3.23 C ATOM 227 C ALA A 16 6.059 -13.311 1.221 1.00 52.14 C ATOM 228 O ALA A 16 6.610 -12.223 1.404 1.00 12.40 O ATOM 229 CB ALA A 16 7.573 -15.349 1.060 1.00 55.54 C ATOM 0 H ALA A 16 5.460 -16.376 1.847 1.00 34.24 H new ATOM 0 HA ALA A 16 7.071 -14.264 2.857 1.00 3.23 H new ATOM 0 HB1 ALA A 16 8.391 -14.685 0.783 1.00 55.54 H new ATOM 0 HB2 ALA A 16 7.969 -16.202 1.611 1.00 55.54 H new ATOM 0 HB3 ALA A 16 7.070 -15.701 0.159 1.00 55.54 H new ATOM 235 N ILE A 17 5.004 -13.482 0.403 1.00 75.24 N ATOM 236 CA ILE A 17 4.332 -12.390 -0.349 1.00 14.23 C ATOM 237 C ILE A 17 3.600 -11.397 0.595 1.00 22.22 C ATOM 238 O ILE A 17 3.792 -10.191 0.483 1.00 40.11 O ATOM 239 CB ILE A 17 3.350 -13.026 -1.413 1.00 64.43 C ATOM 240 CG1 ILE A 17 4.188 -13.696 -2.554 1.00 24.14 C ATOM 241 CG2 ILE A 17 2.313 -12.018 -1.981 1.00 71.32 C ATOM 242 CD1 ILE A 17 3.403 -14.582 -3.496 1.00 10.24 C ATOM 0 H ILE A 17 4.582 -14.396 0.239 1.00 75.24 H new ATOM 0 HA ILE A 17 5.088 -11.802 -0.870 1.00 14.23 H new ATOM 0 HB ILE A 17 2.756 -13.783 -0.901 1.00 64.43 H new ATOM 0 HG12 ILE A 17 4.671 -12.911 -3.137 1.00 24.14 H new ATOM 0 HG13 ILE A 17 4.981 -14.289 -2.099 1.00 24.14 H new ATOM 0 HG21 ILE A 17 1.673 -12.523 -2.704 1.00 71.32 H new ATOM 0 HG22 ILE A 17 1.702 -11.627 -1.167 1.00 71.32 H new ATOM 0 HG23 ILE A 17 2.835 -11.196 -2.470 1.00 71.32 H new ATOM 0 HD11 ILE A 17 4.073 -14.997 -4.248 1.00 10.24 H new ATOM 0 HD12 ILE A 17 2.942 -15.394 -2.933 1.00 10.24 H new ATOM 0 HD13 ILE A 17 2.627 -13.994 -3.986 1.00 10.24 H new ATOM 254 N ILE A 18 2.784 -11.932 1.525 1.00 70.31 N ATOM 255 CA ILE A 18 2.116 -11.155 2.610 1.00 22.22 C ATOM 256 C ILE A 18 3.158 -10.339 3.408 1.00 45.34 C ATOM 257 O ILE A 18 3.033 -9.131 3.577 1.00 2.22 O ATOM 258 CB ILE A 18 1.350 -12.123 3.604 1.00 73.32 C ATOM 259 CG1 ILE A 18 0.143 -12.822 2.904 1.00 71.34 C ATOM 260 CG2 ILE A 18 0.895 -11.400 4.902 1.00 33.44 C ATOM 261 CD1 ILE A 18 -0.517 -13.920 3.732 1.00 13.34 C ATOM 0 H ILE A 18 2.562 -12.927 1.552 1.00 70.31 H new ATOM 0 HA ILE A 18 1.400 -10.479 2.143 1.00 22.22 H new ATOM 0 HB ILE A 18 2.064 -12.892 3.898 1.00 73.32 H new ATOM 0 HG12 ILE A 18 -0.606 -12.068 2.660 1.00 71.34 H new ATOM 0 HG13 ILE A 18 0.484 -13.250 1.961 1.00 71.34 H new ATOM 0 HG21 ILE A 18 0.375 -12.107 5.549 1.00 33.44 H new ATOM 0 HG22 ILE A 18 1.767 -11.005 5.423 1.00 33.44 H new ATOM 0 HG23 ILE A 18 0.223 -10.581 4.646 1.00 33.44 H new ATOM 0 HD11 ILE A 18 -1.345 -14.351 3.170 1.00 13.34 H new ATOM 0 HD12 ILE A 18 0.214 -14.697 3.955 1.00 13.34 H new ATOM 0 HD13 ILE A 18 -0.892 -13.497 4.664 1.00 13.34 H new ATOM 273 N ARG A 19 4.200 -11.050 3.847 1.00 42.34 N ATOM 274 CA ARG A 19 5.319 -10.508 4.640 1.00 13.30 C ATOM 275 C ARG A 19 6.039 -9.364 3.864 1.00 53.11 C ATOM 276 O ARG A 19 6.391 -8.330 4.449 1.00 22.11 O ATOM 277 CB ARG A 19 6.268 -11.710 4.969 1.00 54.42 C ATOM 278 CG ARG A 19 7.312 -11.527 6.092 1.00 13.41 C ATOM 279 CD ARG A 19 8.462 -10.577 5.729 1.00 11.35 C ATOM 280 NE ARG A 19 9.111 -10.952 4.463 1.00 4.43 N ATOM 281 CZ ARG A 19 10.395 -11.082 4.288 1.00 41.21 C ATOM 282 NH1 ARG A 19 11.226 -10.918 5.275 1.00 31.53 N ATOM 283 NH2 ARG A 19 10.847 -11.392 3.119 1.00 1.42 N ATOM 0 H ARG A 19 4.296 -12.048 3.658 1.00 42.34 H new ATOM 0 HA ARG A 19 4.971 -10.057 5.569 1.00 13.30 H new ATOM 0 HB2 ARG A 19 5.645 -12.565 5.230 1.00 54.42 H new ATOM 0 HB3 ARG A 19 6.803 -11.972 4.056 1.00 54.42 H new ATOM 0 HG2 ARG A 19 6.810 -11.149 6.982 1.00 13.41 H new ATOM 0 HG3 ARG A 19 7.727 -12.501 6.350 1.00 13.41 H new ATOM 0 HD2 ARG A 19 8.080 -9.559 5.652 1.00 11.35 H new ATOM 0 HD3 ARG A 19 9.201 -10.581 6.530 1.00 11.35 H new ATOM 0 HE ARG A 19 8.508 -11.124 3.659 1.00 4.43 H new ATOM 0 HH11 ARG A 19 10.875 -10.684 6.204 1.00 31.53 H new ATOM 0 HH12 ARG A 19 12.229 -11.024 5.120 1.00 31.53 H new ATOM 0 HH21 ARG A 19 10.200 -11.533 2.343 1.00 1.42 H new ATOM 0 HH22 ARG A 19 11.851 -11.496 2.972 1.00 1.42 H new ATOM 297 N ALA A 20 6.229 -9.567 2.545 1.00 71.15 N ATOM 298 CA ALA A 20 6.876 -8.580 1.647 1.00 42.25 C ATOM 299 C ALA A 20 6.008 -7.312 1.472 1.00 42.03 C ATOM 300 O ALA A 20 6.537 -6.201 1.441 1.00 15.14 O ATOM 301 CB ALA A 20 7.176 -9.214 0.278 1.00 62.15 C ATOM 0 H ALA A 20 5.939 -10.421 2.068 1.00 71.15 H new ATOM 0 HA ALA A 20 7.815 -8.278 2.112 1.00 42.25 H new ATOM 0 HB1 ALA A 20 7.651 -8.476 -0.369 1.00 62.15 H new ATOM 0 HB2 ALA A 20 7.845 -10.065 0.410 1.00 62.15 H new ATOM 0 HB3 ALA A 20 6.245 -9.551 -0.179 1.00 62.15 H new ATOM 307 N VAL A 21 4.673 -7.508 1.372 1.00 65.14 N ATOM 308 CA VAL A 21 3.683 -6.405 1.309 1.00 4.52 C ATOM 309 C VAL A 21 3.752 -5.548 2.593 1.00 1.04 C ATOM 310 O VAL A 21 3.891 -4.330 2.528 1.00 11.41 O ATOM 311 CB VAL A 21 2.211 -6.957 1.111 1.00 63.32 C ATOM 312 CG1 VAL A 21 1.146 -5.848 1.297 1.00 73.42 C ATOM 313 CG2 VAL A 21 2.051 -7.646 -0.269 1.00 11.31 C ATOM 0 H VAL A 21 4.250 -8.436 1.333 1.00 65.14 H new ATOM 0 HA VAL A 21 3.933 -5.786 0.447 1.00 4.52 H new ATOM 0 HB VAL A 21 2.045 -7.704 1.887 1.00 63.32 H new ATOM 0 HG11 VAL A 21 0.152 -6.270 1.152 1.00 73.42 H new ATOM 0 HG12 VAL A 21 1.222 -5.435 2.303 1.00 73.42 H new ATOM 0 HG13 VAL A 21 1.314 -5.056 0.567 1.00 73.42 H new ATOM 0 HG21 VAL A 21 1.031 -8.014 -0.376 1.00 11.31 H new ATOM 0 HG22 VAL A 21 2.262 -6.927 -1.061 1.00 11.31 H new ATOM 0 HG23 VAL A 21 2.748 -8.481 -0.342 1.00 11.31 H new ATOM 323 N TYR A 22 3.681 -6.228 3.749 1.00 23.42 N ATOM 324 CA TYR A 22 3.766 -5.601 5.086 1.00 75.05 C ATOM 325 C TYR A 22 5.050 -4.742 5.257 1.00 32.24 C ATOM 326 O TYR A 22 4.968 -3.564 5.608 1.00 13.24 O ATOM 327 CB TYR A 22 3.684 -6.703 6.185 1.00 34.54 C ATOM 328 CG TYR A 22 2.264 -7.073 6.639 1.00 25.03 C ATOM 329 CD1 TYR A 22 1.373 -7.717 5.783 1.00 74.30 C ATOM 330 CD2 TYR A 22 1.824 -6.793 7.940 1.00 34.00 C ATOM 331 CE1 TYR A 22 0.107 -8.063 6.199 1.00 23.32 C ATOM 332 CE2 TYR A 22 0.554 -7.137 8.355 1.00 53.42 C ATOM 333 CZ TYR A 22 -0.296 -7.774 7.480 1.00 3.32 C ATOM 334 OH TYR A 22 -1.554 -8.128 7.887 1.00 73.34 O ATOM 0 H TYR A 22 3.562 -7.240 3.786 1.00 23.42 H new ATOM 0 HA TYR A 22 2.922 -4.919 5.191 1.00 75.05 H new ATOM 0 HB2 TYR A 22 4.174 -7.602 5.812 1.00 34.54 H new ATOM 0 HB3 TYR A 22 4.250 -6.369 7.054 1.00 34.54 H new ATOM 0 HD1 TYR A 22 1.681 -7.949 4.774 1.00 74.30 H new ATOM 0 HD2 TYR A 22 2.491 -6.299 8.630 1.00 34.00 H new ATOM 0 HE1 TYR A 22 -0.568 -8.561 5.519 1.00 23.32 H new ATOM 0 HE2 TYR A 22 0.229 -6.908 9.359 1.00 53.42 H new ATOM 0 HH TYR A 22 -1.612 -9.104 7.959 1.00 73.34 H new ATOM 344 N ARG A 23 6.226 -5.330 4.964 1.00 2.12 N ATOM 345 CA ARG A 23 7.518 -4.616 5.085 1.00 30.04 C ATOM 346 C ARG A 23 7.636 -3.453 4.064 1.00 33.24 C ATOM 347 O ARG A 23 8.247 -2.429 4.360 1.00 22.01 O ATOM 348 CB ARG A 23 8.718 -5.588 4.918 1.00 41.45 C ATOM 349 CG ARG A 23 10.093 -4.879 5.014 1.00 54.55 C ATOM 350 CD ARG A 23 11.300 -5.800 4.798 1.00 34.13 C ATOM 351 NE ARG A 23 12.529 -4.997 4.625 1.00 61.32 N ATOM 352 CZ ARG A 23 13.678 -5.180 5.235 1.00 55.21 C ATOM 353 NH1 ARG A 23 13.828 -6.090 6.149 1.00 31.40 N ATOM 354 NH2 ARG A 23 14.673 -4.408 4.940 1.00 32.10 N ATOM 0 H ARG A 23 6.311 -6.294 4.643 1.00 2.12 H new ATOM 0 HA ARG A 23 7.546 -4.191 6.088 1.00 30.04 H new ATOM 0 HB2 ARG A 23 8.661 -6.361 5.684 1.00 41.45 H new ATOM 0 HB3 ARG A 23 8.641 -6.089 3.953 1.00 41.45 H new ATOM 0 HG2 ARG A 23 10.127 -4.078 4.276 1.00 54.55 H new ATOM 0 HG3 ARG A 23 10.179 -4.412 5.995 1.00 54.55 H new ATOM 0 HD2 ARG A 23 11.412 -6.471 5.650 1.00 34.13 H new ATOM 0 HD3 ARG A 23 11.138 -6.424 3.919 1.00 34.13 H new ATOM 0 HE ARG A 23 12.480 -4.221 3.964 1.00 61.32 H new ATOM 0 HH11 ARG A 23 13.042 -6.685 6.410 1.00 31.40 H new ATOM 0 HH12 ARG A 23 14.732 -6.210 6.606 1.00 31.40 H new ATOM 0 HH21 ARG A 23 14.558 -3.672 4.244 1.00 32.10 H new ATOM 0 HH22 ARG A 23 15.572 -4.536 5.404 1.00 32.10 H new ATOM 368 N GLN A 24 7.049 -3.624 2.867 1.00 71.12 N ATOM 369 CA GLN A 24 7.067 -2.579 1.815 1.00 51.21 C ATOM 370 C GLN A 24 6.221 -1.348 2.236 1.00 34.13 C ATOM 371 O GLN A 24 6.657 -0.202 2.069 1.00 54.21 O ATOM 372 CB GLN A 24 6.561 -3.162 0.460 1.00 51.23 C ATOM 373 CG GLN A 24 6.580 -2.171 -0.730 1.00 74.21 C ATOM 374 CD GLN A 24 7.975 -1.607 -1.064 1.00 33.42 C ATOM 375 OE1 GLN A 24 8.998 -2.271 -0.909 1.00 10.15 O ATOM 376 NE2 GLN A 24 8.026 -0.373 -1.533 1.00 74.51 N ATOM 0 H GLN A 24 6.554 -4.475 2.599 1.00 71.12 H new ATOM 0 HA GLN A 24 8.097 -2.246 1.684 1.00 51.21 H new ATOM 0 HB2 GLN A 24 7.174 -4.026 0.203 1.00 51.23 H new ATOM 0 HB3 GLN A 24 5.542 -3.523 0.596 1.00 51.23 H new ATOM 0 HG2 GLN A 24 6.183 -2.673 -1.612 1.00 74.21 H new ATOM 0 HG3 GLN A 24 5.909 -1.341 -0.507 1.00 74.21 H new ATOM 0 HE21 GLN A 24 7.166 0.162 -1.655 1.00 74.51 H new ATOM 0 HE22 GLN A 24 8.925 0.044 -1.773 1.00 74.51 H new ATOM 385 N VAL A 25 5.037 -1.609 2.827 1.00 54.40 N ATOM 386 CA VAL A 25 4.089 -0.552 3.242 1.00 13.43 C ATOM 387 C VAL A 25 4.606 0.249 4.471 1.00 24.20 C ATOM 388 O VAL A 25 4.451 1.463 4.512 1.00 33.42 O ATOM 389 CB VAL A 25 2.649 -1.137 3.521 1.00 51.13 C ATOM 390 CG1 VAL A 25 1.693 -0.058 4.088 1.00 31.34 C ATOM 391 CG2 VAL A 25 2.045 -1.777 2.239 1.00 51.42 C ATOM 0 H VAL A 25 4.711 -2.554 3.030 1.00 54.40 H new ATOM 0 HA VAL A 25 4.014 0.143 2.405 1.00 13.43 H new ATOM 0 HB VAL A 25 2.760 -1.916 4.276 1.00 51.13 H new ATOM 0 HG11 VAL A 25 0.712 -0.499 4.267 1.00 31.34 H new ATOM 0 HG12 VAL A 25 2.094 0.327 5.025 1.00 31.34 H new ATOM 0 HG13 VAL A 25 1.599 0.758 3.371 1.00 31.34 H new ATOM 0 HG21 VAL A 25 1.053 -2.171 2.462 1.00 51.42 H new ATOM 0 HG22 VAL A 25 1.968 -1.022 1.457 1.00 51.42 H new ATOM 0 HG23 VAL A 25 2.690 -2.587 1.899 1.00 51.42 H new ATOM 401 N LEU A 26 5.236 -0.416 5.462 1.00 33.43 N ATOM 402 CA LEU A 26 5.811 0.297 6.641 1.00 45.45 C ATOM 403 C LEU A 26 7.256 0.791 6.370 1.00 65.22 C ATOM 404 O LEU A 26 7.702 1.777 6.966 1.00 42.52 O ATOM 405 CB LEU A 26 5.769 -0.572 7.942 1.00 74.33 C ATOM 406 CG LEU A 26 4.342 -0.830 8.566 1.00 14.42 C ATOM 407 CD1 LEU A 26 3.629 -2.046 7.928 1.00 14.14 C ATOM 408 CD2 LEU A 26 4.406 -0.957 10.111 1.00 65.31 C ATOM 0 H LEU A 26 5.363 -1.428 5.478 1.00 33.43 H new ATOM 0 HA LEU A 26 5.177 1.169 6.803 1.00 45.45 H new ATOM 0 HB2 LEU A 26 6.226 -1.537 7.724 1.00 74.33 H new ATOM 0 HB3 LEU A 26 6.390 -0.089 8.696 1.00 74.33 H new ATOM 0 HG LEU A 26 3.739 0.047 8.332 1.00 14.42 H new ATOM 0 HD11 LEU A 26 2.652 -2.180 8.393 1.00 14.14 H new ATOM 0 HD12 LEU A 26 3.502 -1.874 6.859 1.00 14.14 H new ATOM 0 HD13 LEU A 26 4.230 -2.942 8.082 1.00 14.14 H new ATOM 0 HD21 LEU A 26 3.405 -1.134 10.503 1.00 65.31 H new ATOM 0 HD22 LEU A 26 5.054 -1.791 10.381 1.00 65.31 H new ATOM 0 HD23 LEU A 26 4.804 -0.036 10.536 1.00 65.31 H new ATOM 420 N GLY A 27 7.982 0.114 5.463 1.00 64.34 N ATOM 421 CA GLY A 27 9.414 0.394 5.223 1.00 24.53 C ATOM 422 C GLY A 27 10.329 -0.297 6.250 1.00 24.55 C ATOM 423 O GLY A 27 11.289 -0.989 5.883 1.00 13.21 O ATOM 0 H GLY A 27 7.602 -0.633 4.882 1.00 64.34 H new ATOM 0 HA2 GLY A 27 9.683 0.062 4.220 1.00 24.53 H new ATOM 0 HA3 GLY A 27 9.581 1.470 5.258 1.00 24.53 H new ATOM 427 N ASN A 28 10.032 -0.082 7.543 1.00 4.25 N ATOM 428 CA ASN A 28 10.717 -0.752 8.678 1.00 61.45 C ATOM 429 C ASN A 28 10.153 -2.199 8.865 1.00 32.12 C ATOM 430 O ASN A 28 9.477 -2.738 7.968 1.00 50.42 O ATOM 431 CB ASN A 28 10.510 0.112 9.975 1.00 3.34 C ATOM 432 CG ASN A 28 11.694 0.067 10.962 1.00 54.41 C ATOM 433 OD1 ASN A 28 12.459 -0.891 11.003 1.00 1.44 O ATOM 434 ND2 ASN A 28 11.845 1.097 11.775 1.00 53.23 N ATOM 0 H ASN A 28 9.303 0.567 7.840 1.00 4.25 H new ATOM 0 HA ASN A 28 11.785 -0.837 8.476 1.00 61.45 H new ATOM 0 HB2 ASN A 28 10.334 1.147 9.684 1.00 3.34 H new ATOM 0 HB3 ASN A 28 9.612 -0.232 10.487 1.00 3.34 H new ATOM 0 HD21 ASN A 28 12.608 1.105 12.452 1.00 53.23 H new ATOM 0 HD22 ASN A 28 11.199 1.885 11.726 1.00 53.23 H new ATOM 441 N ASP A 29 10.437 -2.837 10.021 1.00 3.50 N ATOM 442 CA ASP A 29 9.782 -4.101 10.387 1.00 24.11 C ATOM 443 C ASP A 29 8.303 -3.823 10.787 1.00 22.43 C ATOM 444 O ASP A 29 8.006 -3.003 11.659 1.00 54.03 O ATOM 445 CB ASP A 29 10.564 -4.867 11.495 1.00 1.32 C ATOM 446 CG ASP A 29 10.693 -4.093 12.817 1.00 10.13 C ATOM 447 OD1 ASP A 29 11.430 -3.088 12.845 1.00 41.35 O ATOM 448 OD2 ASP A 29 10.078 -4.490 13.831 1.00 24.41 O ATOM 0 H ASP A 29 11.110 -2.497 10.708 1.00 3.50 H new ATOM 0 HA ASP A 29 9.785 -4.761 9.519 1.00 24.11 H new ATOM 0 HB2 ASP A 29 10.064 -5.816 11.689 1.00 1.32 H new ATOM 0 HB3 ASP A 29 11.562 -5.102 11.125 1.00 1.32 H new ATOM 453 N TYR A 30 7.408 -4.453 10.034 1.00 54.01 N ATOM 454 CA TYR A 30 5.936 -4.471 10.239 1.00 22.11 C ATOM 455 C TYR A 30 5.488 -5.032 11.627 1.00 4.53 C ATOM 456 O TYR A 30 6.293 -5.236 12.543 1.00 54.40 O ATOM 457 CB TYR A 30 5.333 -5.337 9.097 1.00 23.40 C ATOM 458 CG TYR A 30 6.001 -6.720 8.998 1.00 60.51 C ATOM 459 CD1 TYR A 30 5.590 -7.787 9.792 1.00 25.35 C ATOM 460 CD2 TYR A 30 7.110 -6.923 8.173 1.00 11.22 C ATOM 461 CE1 TYR A 30 6.256 -8.985 9.772 1.00 31.24 C ATOM 462 CE2 TYR A 30 7.763 -8.124 8.139 1.00 13.13 C ATOM 463 CZ TYR A 30 7.337 -9.155 8.952 1.00 53.04 C ATOM 464 OH TYR A 30 8.005 -10.358 8.957 1.00 73.24 O ATOM 0 H TYR A 30 7.688 -4.997 9.218 1.00 54.01 H new ATOM 0 HA TYR A 30 5.576 -3.442 10.221 1.00 22.11 H new ATOM 0 HB2 TYR A 30 4.264 -5.464 9.266 1.00 23.40 H new ATOM 0 HB3 TYR A 30 5.446 -4.813 8.148 1.00 23.40 H new ATOM 0 HD1 TYR A 30 4.731 -7.669 10.436 1.00 25.35 H new ATOM 0 HD2 TYR A 30 7.459 -6.114 7.549 1.00 11.22 H new ATOM 0 HE1 TYR A 30 5.926 -9.796 10.405 1.00 31.24 H new ATOM 0 HE2 TYR A 30 8.607 -8.265 7.480 1.00 13.13 H new ATOM 0 HH TYR A 30 7.379 -11.079 9.177 1.00 73.24 H new ATOM 474 N VAL A 31 4.172 -5.292 11.747 1.00 60.30 N ATOM 475 CA VAL A 31 3.562 -5.914 12.940 1.00 40.31 C ATOM 476 C VAL A 31 3.074 -7.356 12.612 1.00 34.02 C ATOM 477 O VAL A 31 2.268 -7.549 11.695 1.00 11.10 O ATOM 478 CB VAL A 31 2.365 -5.048 13.472 1.00 34.01 C ATOM 479 CG1 VAL A 31 1.794 -5.636 14.788 1.00 45.43 C ATOM 480 CG2 VAL A 31 2.788 -3.562 13.638 1.00 24.21 C ATOM 0 H VAL A 31 3.497 -5.075 11.014 1.00 60.30 H new ATOM 0 HA VAL A 31 4.322 -5.967 13.719 1.00 40.31 H new ATOM 0 HB VAL A 31 1.566 -5.079 12.732 1.00 34.01 H new ATOM 0 HG11 VAL A 31 0.966 -5.017 15.134 1.00 45.43 H new ATOM 0 HG12 VAL A 31 1.438 -6.651 14.609 1.00 45.43 H new ATOM 0 HG13 VAL A 31 2.576 -5.655 15.547 1.00 45.43 H new ATOM 0 HG21 VAL A 31 1.942 -2.982 14.008 1.00 24.21 H new ATOM 0 HG22 VAL A 31 3.612 -3.495 14.349 1.00 24.21 H new ATOM 0 HG23 VAL A 31 3.107 -3.165 12.674 1.00 24.21 H new ATOM 490 N MET A 32 3.570 -8.359 13.365 1.00 13.03 N ATOM 491 CA MET A 32 3.193 -9.784 13.185 1.00 44.31 C ATOM 492 C MET A 32 3.155 -10.542 14.541 1.00 73.24 C ATOM 493 O MET A 32 3.853 -10.164 15.489 1.00 4.15 O ATOM 494 CB MET A 32 4.156 -10.463 12.162 1.00 2.34 C ATOM 495 CG MET A 32 3.904 -11.959 11.867 1.00 53.43 C ATOM 496 SD MET A 32 4.675 -12.533 10.329 1.00 74.54 S ATOM 497 CE MET A 32 3.720 -11.675 9.068 1.00 41.12 C ATOM 0 H MET A 32 4.243 -8.208 14.116 1.00 13.03 H new ATOM 0 HA MET A 32 2.182 -9.828 12.781 1.00 44.31 H new ATOM 0 HB2 MET A 32 4.097 -9.915 11.222 1.00 2.34 H new ATOM 0 HB3 MET A 32 5.176 -10.355 12.530 1.00 2.34 H new ATOM 0 HG2 MET A 32 4.283 -12.554 12.698 1.00 53.43 H new ATOM 0 HG3 MET A 32 2.830 -12.135 11.813 1.00 53.43 H new ATOM 0 HE1 MET A 32 3.156 -12.401 8.482 1.00 41.12 H new ATOM 0 HE2 MET A 32 3.030 -10.979 9.545 1.00 41.12 H new ATOM 0 HE3 MET A 32 4.395 -11.125 8.412 1.00 41.12 H new ATOM 507 N SER A 33 2.288 -11.590 14.606 1.00 71.50 N ATOM 508 CA SER A 33 2.164 -12.519 15.760 1.00 13.23 C ATOM 509 C SER A 33 1.495 -11.840 16.982 1.00 4.32 C ATOM 510 O SER A 33 1.994 -11.908 18.112 1.00 44.12 O ATOM 511 CB SER A 33 3.537 -13.151 16.128 1.00 54.23 C ATOM 512 OG SER A 33 3.394 -14.245 17.025 1.00 45.44 O ATOM 0 H SER A 33 1.647 -11.815 13.845 1.00 71.50 H new ATOM 0 HA SER A 33 1.504 -13.330 15.453 1.00 13.23 H new ATOM 0 HB2 SER A 33 4.036 -13.489 15.220 1.00 54.23 H new ATOM 0 HB3 SER A 33 4.176 -12.392 16.580 1.00 54.23 H new ATOM 0 HG SER A 33 2.890 -13.957 17.814 1.00 45.44 H new ATOM 518 N THR A 34 0.337 -11.198 16.729 1.00 52.11 N ATOM 519 CA THR A 34 -0.399 -10.401 17.742 1.00 74.14 C ATOM 520 C THR A 34 -1.846 -10.060 17.280 1.00 61.41 C ATOM 521 O THR A 34 -2.792 -10.130 18.076 1.00 70.24 O ATOM 522 CB THR A 34 0.372 -9.075 18.092 1.00 45.24 C ATOM 523 OG1 THR A 34 -0.422 -8.235 18.942 1.00 62.13 O ATOM 524 CG2 THR A 34 0.785 -8.295 16.831 1.00 0.40 C ATOM 0 H THR A 34 -0.118 -11.215 15.816 1.00 52.11 H new ATOM 0 HA THR A 34 -0.466 -11.021 18.636 1.00 74.14 H new ATOM 0 HB THR A 34 1.280 -9.367 18.619 1.00 45.24 H new ATOM 0 HG1 THR A 34 0.075 -7.416 19.150 1.00 62.13 H new ATOM 0 HG21 THR A 34 1.314 -7.387 17.122 1.00 0.40 H new ATOM 0 HG22 THR A 34 1.438 -8.915 16.217 1.00 0.40 H new ATOM 0 HG23 THR A 34 -0.105 -8.029 16.260 1.00 0.40 H new ATOM 532 N GLU A 35 -2.008 -9.717 15.984 1.00 64.24 N ATOM 533 CA GLU A 35 -3.311 -9.289 15.408 1.00 72.00 C ATOM 534 C GLU A 35 -3.268 -9.350 13.862 1.00 52.20 C ATOM 535 O GLU A 35 -3.891 -10.227 13.246 1.00 64.25 O ATOM 536 CB GLU A 35 -3.670 -7.842 15.886 1.00 44.31 C ATOM 537 CG GLU A 35 -5.000 -7.265 15.342 1.00 74.34 C ATOM 538 CD GLU A 35 -6.251 -8.050 15.786 1.00 12.24 C ATOM 539 OE1 GLU A 35 -6.685 -7.890 16.947 1.00 55.33 O ATOM 540 OE2 GLU A 35 -6.814 -8.821 14.973 1.00 35.33 O ATOM 0 H GLU A 35 -1.246 -9.727 15.306 1.00 64.24 H new ATOM 0 HA GLU A 35 -4.084 -9.973 15.759 1.00 72.00 H new ATOM 0 HB2 GLU A 35 -3.713 -7.839 16.975 1.00 44.31 H new ATOM 0 HB3 GLU A 35 -2.860 -7.172 15.597 1.00 44.31 H new ATOM 0 HG2 GLU A 35 -5.097 -6.230 15.671 1.00 74.34 H new ATOM 0 HG3 GLU A 35 -4.960 -7.251 14.253 1.00 74.34 H new ATOM 547 N ARG A 36 -2.497 -8.402 13.262 1.00 23.12 N ATOM 548 CA ARG A 36 -2.331 -8.238 11.788 1.00 73.12 C ATOM 549 C ARG A 36 -3.708 -8.033 11.066 1.00 53.41 C ATOM 550 O ARG A 36 -4.684 -7.586 11.684 1.00 64.24 O ATOM 551 CB ARG A 36 -1.547 -9.437 11.161 1.00 63.55 C ATOM 552 CG ARG A 36 -0.414 -10.038 12.013 1.00 13.13 C ATOM 553 CD ARG A 36 0.385 -11.120 11.248 1.00 50.32 C ATOM 554 NE ARG A 36 -0.462 -12.040 10.472 1.00 43.42 N ATOM 555 CZ ARG A 36 -0.858 -13.247 10.824 1.00 74.12 C ATOM 556 NH1 ARG A 36 -0.579 -13.756 11.982 1.00 64.22 N ATOM 557 NH2 ARG A 36 -1.556 -13.939 9.990 1.00 24.11 N ATOM 0 H ARG A 36 -1.963 -7.717 13.798 1.00 23.12 H new ATOM 0 HA ARG A 36 -1.740 -7.335 11.635 1.00 73.12 H new ATOM 0 HB2 ARG A 36 -2.260 -10.229 10.934 1.00 63.55 H new ATOM 0 HB3 ARG A 36 -1.123 -9.108 10.212 1.00 63.55 H new ATOM 0 HG2 ARG A 36 0.263 -9.243 12.326 1.00 13.13 H new ATOM 0 HG3 ARG A 36 -0.835 -10.473 12.919 1.00 13.13 H new ATOM 0 HD2 ARG A 36 1.089 -10.631 10.574 1.00 50.32 H new ATOM 0 HD3 ARG A 36 0.975 -11.696 11.961 1.00 50.32 H new ATOM 0 HE ARG A 36 -0.777 -11.707 9.561 1.00 43.42 H new ATOM 0 HH11 ARG A 36 -0.035 -13.219 12.658 1.00 64.22 H new ATOM 0 HH12 ARG A 36 -0.903 -14.694 12.218 1.00 64.22 H new ATOM 0 HH21 ARG A 36 -1.792 -13.550 9.077 1.00 24.11 H new ATOM 0 HH22 ARG A 36 -1.872 -14.875 10.243 1.00 24.11 H new ATOM 571 N LEU A 37 -3.763 -8.329 9.746 1.00 0.23 N ATOM 572 CA LEU A 37 -5.013 -8.315 8.945 1.00 23.03 C ATOM 573 C LEU A 37 -5.405 -9.763 8.566 1.00 24.03 C ATOM 574 O LEU A 37 -5.595 -10.079 7.389 1.00 1.11 O ATOM 575 CB LEU A 37 -4.816 -7.467 7.665 1.00 74.55 C ATOM 576 CG LEU A 37 -4.286 -6.020 7.856 1.00 63.25 C ATOM 577 CD1 LEU A 37 -4.126 -5.338 6.499 1.00 45.33 C ATOM 578 CD2 LEU A 37 -5.183 -5.190 8.798 1.00 14.11 C ATOM 0 H LEU A 37 -2.939 -8.586 9.203 1.00 0.23 H new ATOM 0 HA LEU A 37 -5.812 -7.871 9.539 1.00 23.03 H new ATOM 0 HB2 LEU A 37 -4.125 -7.998 7.009 1.00 74.55 H new ATOM 0 HB3 LEU A 37 -5.772 -7.412 7.144 1.00 74.55 H new ATOM 0 HG LEU A 37 -3.309 -6.083 8.335 1.00 63.25 H new ATOM 0 HD11 LEU A 37 -3.754 -4.324 6.643 1.00 45.33 H new ATOM 0 HD12 LEU A 37 -3.419 -5.901 5.890 1.00 45.33 H new ATOM 0 HD13 LEU A 37 -5.091 -5.302 5.994 1.00 45.33 H new ATOM 0 HD21 LEU A 37 -4.772 -4.186 8.901 1.00 14.11 H new ATOM 0 HD22 LEU A 37 -6.189 -5.130 8.383 1.00 14.11 H new ATOM 0 HD23 LEU A 37 -5.223 -5.668 9.777 1.00 14.11 H new ATOM 590 N THR A 38 -5.536 -10.622 9.591 1.00 11.34 N ATOM 591 CA THR A 38 -5.751 -12.091 9.436 1.00 41.34 C ATOM 592 C THR A 38 -6.936 -12.472 8.489 1.00 73.04 C ATOM 593 O THR A 38 -6.877 -13.496 7.800 1.00 15.25 O ATOM 594 CB THR A 38 -5.944 -12.774 10.836 1.00 64.01 C ATOM 595 OG1 THR A 38 -6.135 -14.194 10.687 1.00 62.05 O ATOM 596 CG2 THR A 38 -7.123 -12.168 11.628 1.00 1.42 C ATOM 0 H THR A 38 -5.497 -10.324 10.566 1.00 11.34 H new ATOM 0 HA THR A 38 -4.847 -12.466 8.957 1.00 41.34 H new ATOM 0 HB THR A 38 -5.033 -12.588 11.405 1.00 64.01 H new ATOM 0 HG1 THR A 38 -6.252 -14.603 11.570 1.00 62.05 H new ATOM 0 HG21 THR A 38 -7.215 -12.675 12.589 1.00 1.42 H new ATOM 0 HG22 THR A 38 -6.942 -11.106 11.794 1.00 1.42 H new ATOM 0 HG23 THR A 38 -8.045 -12.295 11.061 1.00 1.42 H new ATOM 604 N SER A 39 -7.994 -11.633 8.457 1.00 34.32 N ATOM 605 CA SER A 39 -9.148 -11.807 7.531 1.00 11.54 C ATOM 606 C SER A 39 -8.728 -11.595 6.051 1.00 72.43 C ATOM 607 O SER A 39 -9.040 -12.424 5.190 1.00 41.52 O ATOM 608 CB SER A 39 -10.288 -10.825 7.900 1.00 51.10 C ATOM 609 OG SER A 39 -10.721 -11.012 9.239 1.00 2.53 O ATOM 0 H SER A 39 -8.078 -10.819 9.066 1.00 34.32 H new ATOM 0 HA SER A 39 -9.505 -12.831 7.639 1.00 11.54 H new ATOM 0 HB2 SER A 39 -9.944 -9.799 7.767 1.00 51.10 H new ATOM 0 HB3 SER A 39 -11.128 -10.969 7.221 1.00 51.10 H new ATOM 0 HG SER A 39 -11.439 -10.377 9.442 1.00 2.53 H new ATOM 615 N ALA A 40 -8.001 -10.488 5.781 1.00 51.21 N ATOM 616 CA ALA A 40 -7.504 -10.138 4.420 1.00 50.40 C ATOM 617 C ALA A 40 -6.448 -11.155 3.917 1.00 4.33 C ATOM 618 O ALA A 40 -6.431 -11.526 2.740 1.00 50.31 O ATOM 619 CB ALA A 40 -6.921 -8.709 4.407 1.00 2.11 C ATOM 0 H ALA A 40 -7.739 -9.809 6.496 1.00 51.21 H new ATOM 0 HA ALA A 40 -8.355 -10.179 3.740 1.00 50.40 H new ATOM 0 HB1 ALA A 40 -6.563 -8.471 3.405 1.00 2.11 H new ATOM 0 HB2 ALA A 40 -7.695 -7.998 4.694 1.00 2.11 H new ATOM 0 HB3 ALA A 40 -6.092 -8.648 5.112 1.00 2.11 H new ATOM 625 N GLU A 41 -5.567 -11.589 4.839 1.00 44.42 N ATOM 626 CA GLU A 41 -4.548 -12.632 4.581 1.00 24.22 C ATOM 627 C GLU A 41 -5.196 -13.981 4.218 1.00 3.44 C ATOM 628 O GLU A 41 -4.731 -14.662 3.311 1.00 11.54 O ATOM 629 CB GLU A 41 -3.636 -12.788 5.825 1.00 53.30 C ATOM 630 CG GLU A 41 -2.809 -11.531 6.149 1.00 23.44 C ATOM 631 CD GLU A 41 -2.014 -11.654 7.447 1.00 53.24 C ATOM 632 OE1 GLU A 41 -1.044 -12.437 7.496 1.00 34.44 O ATOM 633 OE2 GLU A 41 -2.356 -10.974 8.432 1.00 1.45 O ATOM 0 H GLU A 41 -5.540 -11.225 5.791 1.00 44.42 H new ATOM 0 HA GLU A 41 -3.948 -12.318 3.727 1.00 24.22 H new ATOM 0 HB2 GLU A 41 -4.253 -13.038 6.688 1.00 53.30 H new ATOM 0 HB3 GLU A 41 -2.958 -13.626 5.664 1.00 53.30 H new ATOM 0 HG2 GLU A 41 -2.122 -11.334 5.326 1.00 23.44 H new ATOM 0 HG3 GLU A 41 -3.477 -10.672 6.219 1.00 23.44 H new ATOM 640 N SER A 42 -6.287 -14.339 4.924 1.00 73.11 N ATOM 641 CA SER A 42 -7.069 -15.570 4.637 1.00 73.51 C ATOM 642 C SER A 42 -7.702 -15.514 3.221 1.00 54.04 C ATOM 643 O SER A 42 -7.737 -16.517 2.504 1.00 61.41 O ATOM 644 CB SER A 42 -8.171 -15.780 5.708 1.00 43.10 C ATOM 645 OG SER A 42 -8.851 -17.017 5.529 1.00 61.53 O ATOM 0 H SER A 42 -6.653 -13.792 5.703 1.00 73.11 H new ATOM 0 HA SER A 42 -6.382 -16.416 4.670 1.00 73.51 H new ATOM 0 HB2 SER A 42 -7.723 -15.752 6.701 1.00 43.10 H new ATOM 0 HB3 SER A 42 -8.888 -14.960 5.658 1.00 43.10 H new ATOM 0 HG SER A 42 -9.537 -17.117 6.222 1.00 61.53 H new ATOM 651 N LEU A 43 -8.172 -14.309 2.827 1.00 22.31 N ATOM 652 CA LEU A 43 -8.721 -14.041 1.473 1.00 2.41 C ATOM 653 C LEU A 43 -7.630 -14.164 0.375 1.00 43.10 C ATOM 654 O LEU A 43 -7.895 -14.686 -0.705 1.00 34.24 O ATOM 655 CB LEU A 43 -9.351 -12.623 1.426 1.00 52.42 C ATOM 656 CG LEU A 43 -10.595 -12.376 2.338 1.00 52.00 C ATOM 657 CD1 LEU A 43 -11.003 -10.884 2.337 1.00 3.03 C ATOM 658 CD2 LEU A 43 -11.776 -13.289 1.932 1.00 64.04 C ATOM 0 H LEU A 43 -8.183 -13.492 3.438 1.00 22.31 H new ATOM 0 HA LEU A 43 -9.486 -14.791 1.273 1.00 2.41 H new ATOM 0 HB2 LEU A 43 -8.582 -11.900 1.697 1.00 52.42 H new ATOM 0 HB3 LEU A 43 -9.638 -12.412 0.396 1.00 52.42 H new ATOM 0 HG LEU A 43 -10.317 -12.637 3.359 1.00 52.00 H new ATOM 0 HD11 LEU A 43 -11.872 -10.744 2.981 1.00 3.03 H new ATOM 0 HD12 LEU A 43 -10.175 -10.280 2.708 1.00 3.03 H new ATOM 0 HD13 LEU A 43 -11.250 -10.575 1.321 1.00 3.03 H new ATOM 0 HD21 LEU A 43 -12.627 -13.094 2.584 1.00 64.04 H new ATOM 0 HD22 LEU A 43 -12.056 -13.084 0.899 1.00 64.04 H new ATOM 0 HD23 LEU A 43 -11.478 -14.333 2.026 1.00 64.04 H new ATOM 670 N LEU A 44 -6.404 -13.671 0.661 1.00 72.20 N ATOM 671 CA LEU A 44 -5.263 -13.740 -0.293 1.00 64.31 C ATOM 672 C LEU A 44 -4.764 -15.198 -0.464 1.00 73.12 C ATOM 673 O LEU A 44 -4.475 -15.646 -1.581 1.00 74.52 O ATOM 674 CB LEU A 44 -4.093 -12.821 0.166 1.00 1.03 C ATOM 675 CG LEU A 44 -2.899 -12.698 -0.845 1.00 44.31 C ATOM 676 CD1 LEU A 44 -3.359 -12.075 -2.183 1.00 3.43 C ATOM 677 CD2 LEU A 44 -1.710 -11.922 -0.237 1.00 62.14 C ATOM 0 H LEU A 44 -6.174 -13.219 1.546 1.00 72.20 H new ATOM 0 HA LEU A 44 -5.622 -13.385 -1.259 1.00 64.31 H new ATOM 0 HB2 LEU A 44 -4.490 -11.824 0.357 1.00 1.03 H new ATOM 0 HB3 LEU A 44 -3.708 -13.198 1.114 1.00 1.03 H new ATOM 0 HG LEU A 44 -2.547 -13.708 -1.055 1.00 44.31 H new ATOM 0 HD11 LEU A 44 -2.509 -12.003 -2.862 1.00 3.43 H new ATOM 0 HD12 LEU A 44 -4.129 -12.703 -2.631 1.00 3.43 H new ATOM 0 HD13 LEU A 44 -3.763 -11.079 -2.001 1.00 3.43 H new ATOM 0 HD21 LEU A 44 -0.904 -11.859 -0.969 1.00 62.14 H new ATOM 0 HD22 LEU A 44 -2.032 -10.917 0.035 1.00 62.14 H new ATOM 0 HD23 LEU A 44 -1.353 -12.442 0.652 1.00 62.14 H new ATOM 689 N ARG A 45 -4.688 -15.925 0.666 1.00 24.04 N ATOM 690 CA ARG A 45 -4.337 -17.364 0.694 1.00 10.01 C ATOM 691 C ARG A 45 -5.418 -18.220 -0.008 1.00 40.15 C ATOM 692 O ARG A 45 -5.109 -19.251 -0.623 1.00 34.35 O ATOM 693 CB ARG A 45 -4.129 -17.842 2.159 1.00 21.03 C ATOM 694 CG ARG A 45 -2.908 -17.212 2.874 1.00 1.10 C ATOM 695 CD ARG A 45 -2.748 -17.687 4.331 1.00 53.31 C ATOM 696 NE ARG A 45 -2.559 -19.151 4.422 1.00 45.21 N ATOM 697 CZ ARG A 45 -1.925 -19.792 5.380 1.00 21.40 C ATOM 698 NH1 ARG A 45 -1.365 -19.159 6.365 1.00 71.25 N ATOM 699 NH2 ARG A 45 -1.856 -21.082 5.336 1.00 51.14 N ATOM 0 H ARG A 45 -4.868 -15.533 1.590 1.00 24.04 H new ATOM 0 HA ARG A 45 -3.403 -17.493 0.147 1.00 10.01 H new ATOM 0 HB2 ARG A 45 -5.027 -17.614 2.733 1.00 21.03 H new ATOM 0 HB3 ARG A 45 -4.016 -18.926 2.161 1.00 21.03 H new ATOM 0 HG2 ARG A 45 -2.003 -17.456 2.317 1.00 1.10 H new ATOM 0 HG3 ARG A 45 -3.007 -16.127 2.861 1.00 1.10 H new ATOM 0 HD2 ARG A 45 -1.894 -17.183 4.784 1.00 53.31 H new ATOM 0 HD3 ARG A 45 -3.629 -17.399 4.904 1.00 53.31 H new ATOM 0 HE ARG A 45 -2.957 -19.716 3.672 1.00 45.21 H new ATOM 0 HH11 ARG A 45 -1.411 -18.141 6.409 1.00 71.25 H new ATOM 0 HH12 ARG A 45 -0.879 -19.680 7.095 1.00 71.25 H new ATOM 0 HH21 ARG A 45 -2.290 -21.590 4.565 1.00 51.14 H new ATOM 0 HH22 ARG A 45 -1.368 -21.592 6.072 1.00 51.14 H new ATOM 713 N GLY A 46 -6.684 -17.769 0.096 1.00 2.44 N ATOM 714 CA GLY A 46 -7.815 -18.408 -0.586 1.00 12.13 C ATOM 715 C GLY A 46 -8.013 -17.954 -2.040 1.00 33.24 C ATOM 716 O GLY A 46 -8.876 -18.495 -2.743 1.00 62.13 O ATOM 0 H GLY A 46 -6.945 -16.956 0.653 1.00 2.44 H new ATOM 0 HA2 GLY A 46 -7.670 -19.488 -0.571 1.00 12.13 H new ATOM 0 HA3 GLY A 46 -8.727 -18.201 -0.025 1.00 12.13 H new ATOM 720 N GLY A 47 -7.224 -16.947 -2.479 1.00 65.31 N ATOM 721 CA GLY A 47 -7.286 -16.409 -3.854 1.00 21.43 C ATOM 722 C GLY A 47 -8.528 -15.570 -4.174 1.00 24.22 C ATOM 723 O GLY A 47 -8.813 -15.293 -5.341 1.00 44.41 O ATOM 0 H GLY A 47 -6.529 -16.487 -1.891 1.00 65.31 H new ATOM 0 HA2 GLY A 47 -6.400 -15.798 -4.028 1.00 21.43 H new ATOM 0 HA3 GLY A 47 -7.240 -17.242 -4.555 1.00 21.43 H new ATOM 727 N GLU A 48 -9.255 -15.159 -3.126 1.00 51.24 N ATOM 728 CA GLU A 48 -10.520 -14.405 -3.250 1.00 13.53 C ATOM 729 C GLU A 48 -10.280 -12.893 -3.452 1.00 40.11 C ATOM 730 O GLU A 48 -11.173 -12.178 -3.911 1.00 44.04 O ATOM 731 CB GLU A 48 -11.413 -14.665 -2.013 1.00 54.05 C ATOM 732 CG GLU A 48 -11.683 -16.161 -1.748 1.00 71.10 C ATOM 733 CD GLU A 48 -12.796 -16.394 -0.719 1.00 74.51 C ATOM 734 OE1 GLU A 48 -12.533 -16.293 0.491 1.00 72.32 O ATOM 735 OE2 GLU A 48 -13.950 -16.652 -1.121 1.00 13.15 O ATOM 0 H GLU A 48 -8.984 -15.339 -2.159 1.00 51.24 H new ATOM 0 HA GLU A 48 -11.035 -14.762 -4.142 1.00 13.53 H new ATOM 0 HB2 GLU A 48 -10.938 -14.229 -1.134 1.00 54.05 H new ATOM 0 HB3 GLU A 48 -12.365 -14.151 -2.148 1.00 54.05 H new ATOM 0 HG2 GLU A 48 -11.954 -16.648 -2.685 1.00 71.10 H new ATOM 0 HG3 GLU A 48 -10.766 -16.634 -1.397 1.00 71.10 H new ATOM 742 N ILE A 49 -9.080 -12.402 -3.080 1.00 73.21 N ATOM 743 CA ILE A 49 -8.637 -11.020 -3.392 1.00 71.31 C ATOM 744 C ILE A 49 -7.291 -11.048 -4.153 1.00 44.21 C ATOM 745 O ILE A 49 -6.534 -12.028 -4.072 1.00 20.54 O ATOM 746 CB ILE A 49 -8.497 -10.113 -2.098 1.00 63.34 C ATOM 747 CG1 ILE A 49 -7.329 -10.593 -1.171 1.00 34.31 C ATOM 748 CG2 ILE A 49 -9.835 -10.040 -1.319 1.00 22.51 C ATOM 749 CD1 ILE A 49 -7.076 -9.718 0.050 1.00 34.51 C ATOM 0 H ILE A 49 -8.392 -12.945 -2.558 1.00 73.21 H new ATOM 0 HA ILE A 49 -9.412 -10.577 -4.018 1.00 71.31 H new ATOM 0 HB ILE A 49 -8.248 -9.107 -2.435 1.00 63.34 H new ATOM 0 HG12 ILE A 49 -7.545 -11.607 -0.834 1.00 34.31 H new ATOM 0 HG13 ILE A 49 -6.414 -10.642 -1.761 1.00 34.31 H new ATOM 0 HG21 ILE A 49 -9.709 -9.412 -0.437 1.00 22.51 H new ATOM 0 HG22 ILE A 49 -10.607 -9.614 -1.960 1.00 22.51 H new ATOM 0 HG23 ILE A 49 -10.132 -11.043 -1.011 1.00 22.51 H new ATOM 0 HD11 ILE A 49 -6.250 -10.131 0.629 1.00 34.51 H new ATOM 0 HD12 ILE A 49 -6.824 -8.708 -0.272 1.00 34.51 H new ATOM 0 HD13 ILE A 49 -7.973 -9.688 0.668 1.00 34.51 H new ATOM 761 N SER A 50 -7.010 -9.968 -4.899 1.00 32.43 N ATOM 762 CA SER A 50 -5.714 -9.777 -5.585 1.00 40.01 C ATOM 763 C SER A 50 -4.664 -9.195 -4.613 1.00 34.14 C ATOM 764 O SER A 50 -5.014 -8.546 -3.620 1.00 33.11 O ATOM 765 CB SER A 50 -5.876 -8.857 -6.822 1.00 64.52 C ATOM 766 OG SER A 50 -6.737 -9.438 -7.791 1.00 41.44 O ATOM 0 H SER A 50 -7.669 -9.203 -5.046 1.00 32.43 H new ATOM 0 HA SER A 50 -5.365 -10.751 -5.927 1.00 40.01 H new ATOM 0 HB2 SER A 50 -6.276 -7.892 -6.510 1.00 64.52 H new ATOM 0 HB3 SER A 50 -4.899 -8.668 -7.267 1.00 64.52 H new ATOM 0 HG SER A 50 -6.821 -8.834 -8.558 1.00 41.44 H new ATOM 772 N VAL A 51 -3.377 -9.451 -4.917 1.00 24.04 N ATOM 773 CA VAL A 51 -2.221 -8.965 -4.116 1.00 64.24 C ATOM 774 C VAL A 51 -2.243 -7.431 -3.953 1.00 52.42 C ATOM 775 O VAL A 51 -2.047 -6.916 -2.863 1.00 74.45 O ATOM 776 CB VAL A 51 -0.871 -9.388 -4.791 1.00 31.21 C ATOM 777 CG1 VAL A 51 0.371 -8.846 -4.023 1.00 13.23 C ATOM 778 CG2 VAL A 51 -0.799 -10.927 -4.959 1.00 61.11 C ATOM 0 H VAL A 51 -3.101 -10.004 -5.729 1.00 24.04 H new ATOM 0 HA VAL A 51 -2.301 -9.420 -3.129 1.00 64.24 H new ATOM 0 HB VAL A 51 -0.850 -8.932 -5.781 1.00 31.21 H new ATOM 0 HG11 VAL A 51 1.281 -9.166 -4.530 1.00 13.23 H new ATOM 0 HG12 VAL A 51 0.335 -7.757 -3.996 1.00 13.23 H new ATOM 0 HG13 VAL A 51 0.367 -9.235 -3.005 1.00 13.23 H new ATOM 0 HG21 VAL A 51 0.146 -11.198 -5.429 1.00 61.11 H new ATOM 0 HG22 VAL A 51 -0.867 -11.403 -3.981 1.00 61.11 H new ATOM 0 HG23 VAL A 51 -1.625 -11.264 -5.585 1.00 61.11 H new ATOM 788 N ARG A 52 -2.494 -6.743 -5.070 1.00 13.51 N ATOM 789 CA ARG A 52 -2.612 -5.272 -5.147 1.00 72.13 C ATOM 790 C ARG A 52 -3.665 -4.702 -4.152 1.00 4.41 C ATOM 791 O ARG A 52 -3.410 -3.737 -3.430 1.00 50.23 O ATOM 792 CB ARG A 52 -3.020 -4.927 -6.588 1.00 61.21 C ATOM 793 CG ARG A 52 -3.160 -3.432 -6.891 1.00 3.52 C ATOM 794 CD ARG A 52 -3.879 -3.161 -8.211 1.00 42.10 C ATOM 795 NE ARG A 52 -5.262 -3.666 -8.147 1.00 21.35 N ATOM 796 CZ ARG A 52 -6.331 -2.997 -8.537 1.00 4.13 C ATOM 797 NH1 ARG A 52 -6.224 -1.827 -9.096 1.00 11.31 N ATOM 798 NH2 ARG A 52 -7.504 -3.499 -8.350 1.00 33.33 N ATOM 0 H ARG A 52 -2.625 -7.199 -5.973 1.00 13.51 H new ATOM 0 HA ARG A 52 -1.657 -4.823 -4.874 1.00 72.13 H new ATOM 0 HB2 ARG A 52 -2.281 -5.351 -7.268 1.00 61.21 H new ATOM 0 HB3 ARG A 52 -3.970 -5.415 -6.805 1.00 61.21 H new ATOM 0 HG2 ARG A 52 -3.706 -2.951 -6.080 1.00 3.52 H new ATOM 0 HG3 ARG A 52 -2.170 -2.978 -6.922 1.00 3.52 H new ATOM 0 HD2 ARG A 52 -3.884 -2.091 -8.419 1.00 42.10 H new ATOM 0 HD3 ARG A 52 -3.345 -3.642 -9.030 1.00 42.10 H new ATOM 0 HE ARG A 52 -5.404 -4.604 -7.773 1.00 21.35 H new ATOM 0 HH11 ARG A 52 -5.303 -1.412 -9.239 1.00 11.31 H new ATOM 0 HH12 ARG A 52 -7.061 -1.324 -9.391 1.00 11.31 H new ATOM 0 HH21 ARG A 52 -7.603 -4.410 -7.902 1.00 33.33 H new ATOM 0 HH22 ARG A 52 -8.332 -2.985 -8.650 1.00 33.33 H new ATOM 812 N ASP A 53 -4.850 -5.325 -4.141 1.00 54.11 N ATOM 813 CA ASP A 53 -5.979 -4.938 -3.265 1.00 61.24 C ATOM 814 C ASP A 53 -5.709 -5.329 -1.787 1.00 1.34 C ATOM 815 O ASP A 53 -6.267 -4.730 -0.859 1.00 63.31 O ATOM 816 CB ASP A 53 -7.281 -5.579 -3.799 1.00 43.41 C ATOM 817 CG ASP A 53 -7.596 -5.144 -5.244 1.00 44.02 C ATOM 818 OD1 ASP A 53 -6.925 -5.638 -6.183 1.00 64.42 O ATOM 819 OD2 ASP A 53 -8.501 -4.312 -5.454 1.00 44.44 O ATOM 0 H ASP A 53 -5.061 -6.121 -4.743 1.00 54.11 H new ATOM 0 HA ASP A 53 -6.089 -3.854 -3.283 1.00 61.24 H new ATOM 0 HB2 ASP A 53 -7.192 -6.665 -3.760 1.00 43.41 H new ATOM 0 HB3 ASP A 53 -8.112 -5.304 -3.150 1.00 43.41 H new ATOM 824 N PHE A 54 -4.849 -6.344 -1.586 1.00 53.21 N ATOM 825 CA PHE A 54 -4.308 -6.697 -0.257 1.00 72.14 C ATOM 826 C PHE A 54 -3.320 -5.599 0.241 1.00 41.31 C ATOM 827 O PHE A 54 -3.310 -5.257 1.426 1.00 30.41 O ATOM 828 CB PHE A 54 -3.618 -8.087 -0.321 1.00 51.44 C ATOM 829 CG PHE A 54 -2.981 -8.526 0.991 1.00 64.33 C ATOM 830 CD1 PHE A 54 -3.776 -8.948 2.056 1.00 25.05 C ATOM 831 CD2 PHE A 54 -1.597 -8.506 1.167 1.00 25.20 C ATOM 832 CE1 PHE A 54 -3.205 -9.337 3.245 1.00 43.52 C ATOM 833 CE2 PHE A 54 -1.031 -8.899 2.360 1.00 44.55 C ATOM 834 CZ PHE A 54 -1.837 -9.313 3.398 1.00 42.44 C ATOM 0 H PHE A 54 -4.509 -6.943 -2.338 1.00 53.21 H new ATOM 0 HA PHE A 54 -5.128 -6.753 0.459 1.00 72.14 H new ATOM 0 HB2 PHE A 54 -4.354 -8.832 -0.623 1.00 51.44 H new ATOM 0 HB3 PHE A 54 -2.851 -8.065 -1.095 1.00 51.44 H new ATOM 0 HD1 PHE A 54 -4.850 -8.970 1.946 1.00 25.05 H new ATOM 0 HD2 PHE A 54 -0.961 -8.178 0.358 1.00 25.20 H new ATOM 0 HE1 PHE A 54 -3.832 -9.663 4.062 1.00 43.52 H new ATOM 0 HE2 PHE A 54 0.042 -8.883 2.481 1.00 44.55 H new ATOM 0 HZ PHE A 54 -1.394 -9.620 4.334 1.00 42.44 H new ATOM 844 N VAL A 55 -2.504 -5.050 -0.688 1.00 34.11 N ATOM 845 CA VAL A 55 -1.588 -3.910 -0.410 1.00 24.41 C ATOM 846 C VAL A 55 -2.392 -2.662 0.001 1.00 51.42 C ATOM 847 O VAL A 55 -1.969 -1.900 0.879 1.00 51.34 O ATOM 848 CB VAL A 55 -0.683 -3.575 -1.659 1.00 11.44 C ATOM 849 CG1 VAL A 55 0.233 -2.349 -1.407 1.00 24.22 C ATOM 850 CG2 VAL A 55 0.143 -4.812 -2.077 1.00 72.52 C ATOM 0 H VAL A 55 -2.459 -5.381 -1.652 1.00 34.11 H new ATOM 0 HA VAL A 55 -0.936 -4.207 0.412 1.00 24.41 H new ATOM 0 HB VAL A 55 -1.347 -3.307 -2.481 1.00 11.44 H new ATOM 0 HG11 VAL A 55 0.837 -2.157 -2.294 1.00 24.22 H new ATOM 0 HG12 VAL A 55 -0.381 -1.475 -1.190 1.00 24.22 H new ATOM 0 HG13 VAL A 55 0.888 -2.552 -0.560 1.00 24.22 H new ATOM 0 HG21 VAL A 55 0.761 -4.562 -2.940 1.00 72.52 H new ATOM 0 HG22 VAL A 55 0.782 -5.119 -1.249 1.00 72.52 H new ATOM 0 HG23 VAL A 55 -0.531 -5.628 -2.337 1.00 72.52 H new ATOM 860 N ARG A 56 -3.570 -2.490 -0.637 1.00 75.10 N ATOM 861 CA ARG A 56 -4.548 -1.455 -0.254 1.00 44.42 C ATOM 862 C ARG A 56 -4.954 -1.626 1.215 1.00 63.44 C ATOM 863 O ARG A 56 -4.867 -0.685 1.984 1.00 73.32 O ATOM 864 CB ARG A 56 -5.804 -1.513 -1.161 1.00 42.33 C ATOM 865 CG ARG A 56 -6.798 -0.343 -0.956 1.00 52.11 C ATOM 866 CD ARG A 56 -7.918 -0.326 -2.011 1.00 13.44 C ATOM 867 NE ARG A 56 -8.784 -1.514 -1.938 1.00 1.03 N ATOM 868 CZ ARG A 56 -9.427 -2.061 -2.950 1.00 72.01 C ATOM 869 NH1 ARG A 56 -9.265 -1.635 -4.171 1.00 43.05 N ATOM 870 NH2 ARG A 56 -10.228 -3.044 -2.726 1.00 41.32 N ATOM 0 H ARG A 56 -3.866 -3.063 -1.427 1.00 75.10 H new ATOM 0 HA ARG A 56 -4.077 -0.481 -0.383 1.00 44.42 H new ATOM 0 HB2 ARG A 56 -5.484 -1.523 -2.203 1.00 42.33 H new ATOM 0 HB3 ARG A 56 -6.326 -2.453 -0.978 1.00 42.33 H new ATOM 0 HG2 ARG A 56 -7.241 -0.417 0.037 1.00 52.11 H new ATOM 0 HG3 ARG A 56 -6.255 0.601 -0.993 1.00 52.11 H new ATOM 0 HD2 ARG A 56 -8.525 0.570 -1.877 1.00 13.44 H new ATOM 0 HD3 ARG A 56 -7.475 -0.265 -3.005 1.00 13.44 H new ATOM 0 HE ARG A 56 -8.896 -1.952 -1.024 1.00 1.03 H new ATOM 0 HH11 ARG A 56 -8.628 -0.861 -4.361 1.00 43.05 H new ATOM 0 HH12 ARG A 56 -9.775 -2.076 -4.937 1.00 43.05 H new ATOM 0 HH21 ARG A 56 -10.358 -3.389 -1.775 1.00 41.32 H new ATOM 0 HH22 ARG A 56 -10.732 -3.477 -3.499 1.00 41.32 H new ATOM 884 N ALA A 57 -5.337 -2.864 1.589 1.00 4.31 N ATOM 885 CA ALA A 57 -5.762 -3.208 2.967 1.00 21.04 C ATOM 886 C ALA A 57 -4.657 -2.912 4.023 1.00 22.15 C ATOM 887 O ALA A 57 -4.951 -2.379 5.098 1.00 10.22 O ATOM 888 CB ALA A 57 -6.193 -4.685 3.029 1.00 12.43 C ATOM 0 H ALA A 57 -5.361 -3.656 0.946 1.00 4.31 H new ATOM 0 HA ALA A 57 -6.611 -2.572 3.217 1.00 21.04 H new ATOM 0 HB1 ALA A 57 -6.504 -4.931 4.044 1.00 12.43 H new ATOM 0 HB2 ALA A 57 -7.025 -4.850 2.345 1.00 12.43 H new ATOM 0 HB3 ALA A 57 -5.355 -5.321 2.742 1.00 12.43 H new ATOM 894 N VAL A 58 -3.389 -3.250 3.702 1.00 13.43 N ATOM 895 CA VAL A 58 -2.230 -3.027 4.620 1.00 31.23 C ATOM 896 C VAL A 58 -1.870 -1.525 4.714 1.00 31.35 C ATOM 897 O VAL A 58 -1.466 -1.029 5.770 1.00 3.14 O ATOM 898 CB VAL A 58 -0.980 -3.894 4.193 1.00 42.34 C ATOM 899 CG1 VAL A 58 0.217 -3.724 5.170 1.00 54.15 C ATOM 900 CG2 VAL A 58 -1.380 -5.387 4.072 1.00 33.24 C ATOM 0 H VAL A 58 -3.133 -3.680 2.813 1.00 13.43 H new ATOM 0 HA VAL A 58 -2.530 -3.357 5.615 1.00 31.23 H new ATOM 0 HB VAL A 58 -0.649 -3.532 3.219 1.00 42.34 H new ATOM 0 HG11 VAL A 58 1.051 -4.340 4.834 1.00 54.15 H new ATOM 0 HG12 VAL A 58 0.523 -2.678 5.192 1.00 54.15 H new ATOM 0 HG13 VAL A 58 -0.083 -4.035 6.171 1.00 54.15 H new ATOM 0 HG21 VAL A 58 -0.510 -5.974 3.777 1.00 33.24 H new ATOM 0 HG22 VAL A 58 -1.750 -5.744 5.033 1.00 33.24 H new ATOM 0 HG23 VAL A 58 -2.162 -5.494 3.320 1.00 33.24 H new ATOM 910 N ALA A 59 -2.052 -0.804 3.603 1.00 72.11 N ATOM 911 CA ALA A 59 -1.928 0.668 3.570 1.00 44.52 C ATOM 912 C ALA A 59 -3.171 1.371 4.188 1.00 12.51 C ATOM 913 O ALA A 59 -3.115 2.551 4.502 1.00 34.34 O ATOM 914 CB ALA A 59 -1.678 1.136 2.132 1.00 15.33 C ATOM 0 H ALA A 59 -2.289 -1.217 2.701 1.00 72.11 H new ATOM 0 HA ALA A 59 -1.074 0.952 4.185 1.00 44.52 H new ATOM 0 HB1 ALA A 59 -1.587 2.222 2.113 1.00 15.33 H new ATOM 0 HB2 ALA A 59 -0.757 0.689 1.759 1.00 15.33 H new ATOM 0 HB3 ALA A 59 -2.512 0.831 1.500 1.00 15.33 H new ATOM 920 N LEU A 60 -4.295 0.639 4.323 1.00 21.31 N ATOM 921 CA LEU A 60 -5.513 1.121 5.038 1.00 35.13 C ATOM 922 C LEU A 60 -5.510 0.743 6.533 1.00 34.10 C ATOM 923 O LEU A 60 -6.380 1.213 7.279 1.00 73.35 O ATOM 924 CB LEU A 60 -6.802 0.555 4.367 1.00 1.45 C ATOM 925 CG LEU A 60 -7.160 1.147 2.974 1.00 51.51 C ATOM 926 CD1 LEU A 60 -8.401 0.458 2.373 1.00 34.52 C ATOM 927 CD2 LEU A 60 -7.339 2.672 3.061 1.00 34.33 C ATOM 0 H LEU A 60 -4.393 -0.303 3.943 1.00 21.31 H new ATOM 0 HA LEU A 60 -5.503 2.209 4.968 1.00 35.13 H new ATOM 0 HB2 LEU A 60 -6.690 -0.524 4.263 1.00 1.45 H new ATOM 0 HB3 LEU A 60 -7.643 0.725 5.039 1.00 1.45 H new ATOM 0 HG LEU A 60 -6.328 0.950 2.298 1.00 51.51 H new ATOM 0 HD11 LEU A 60 -8.624 0.895 1.400 1.00 34.52 H new ATOM 0 HD12 LEU A 60 -8.204 -0.608 2.256 1.00 34.52 H new ATOM 0 HD13 LEU A 60 -9.253 0.599 3.038 1.00 34.52 H new ATOM 0 HD21 LEU A 60 -7.589 3.066 2.076 1.00 34.33 H new ATOM 0 HD22 LEU A 60 -8.143 2.905 3.759 1.00 34.33 H new ATOM 0 HD23 LEU A 60 -6.412 3.128 3.409 1.00 34.33 H new ATOM 939 N SER A 61 -4.556 -0.118 6.967 1.00 42.13 N ATOM 940 CA SER A 61 -4.499 -0.588 8.376 1.00 64.22 C ATOM 941 C SER A 61 -4.293 0.599 9.340 1.00 24.02 C ATOM 942 O SER A 61 -3.486 1.501 9.071 1.00 12.34 O ATOM 943 CB SER A 61 -3.382 -1.644 8.595 1.00 55.03 C ATOM 944 OG SER A 61 -2.082 -1.070 8.581 1.00 34.03 O ATOM 0 H SER A 61 -3.822 -0.498 6.369 1.00 42.13 H new ATOM 0 HA SER A 61 -5.456 -1.064 8.590 1.00 64.22 H new ATOM 0 HB2 SER A 61 -3.544 -2.147 9.548 1.00 55.03 H new ATOM 0 HB3 SER A 61 -3.448 -2.405 7.818 1.00 55.03 H new ATOM 0 HG SER A 61 -1.762 -1.006 7.657 1.00 34.03 H new ATOM 950 N GLU A 62 -5.033 0.583 10.462 1.00 61.43 N ATOM 951 CA GLU A 62 -4.952 1.634 11.496 1.00 2.44 C ATOM 952 C GLU A 62 -3.570 1.623 12.188 1.00 13.22 C ATOM 953 O GLU A 62 -3.121 2.640 12.704 1.00 71.32 O ATOM 954 CB GLU A 62 -6.091 1.470 12.534 1.00 50.34 C ATOM 955 CG GLU A 62 -7.512 1.633 11.945 1.00 12.23 C ATOM 956 CD GLU A 62 -8.614 1.728 13.017 1.00 61.00 C ATOM 957 OE1 GLU A 62 -8.752 2.806 13.641 1.00 64.54 O ATOM 958 OE2 GLU A 62 -9.349 0.741 13.235 1.00 14.40 O ATOM 0 H GLU A 62 -5.702 -0.155 10.679 1.00 61.43 H new ATOM 0 HA GLU A 62 -5.074 2.600 11.007 1.00 2.44 H new ATOM 0 HB2 GLU A 62 -6.011 0.485 12.993 1.00 50.34 H new ATOM 0 HB3 GLU A 62 -5.952 2.204 13.328 1.00 50.34 H new ATOM 0 HG2 GLU A 62 -7.540 2.530 11.326 1.00 12.23 H new ATOM 0 HG3 GLU A 62 -7.725 0.788 11.291 1.00 12.23 H new ATOM 965 N LEU A 63 -2.915 0.453 12.172 1.00 25.23 N ATOM 966 CA LEU A 63 -1.549 0.271 12.696 1.00 64.44 C ATOM 967 C LEU A 63 -0.521 1.100 11.881 1.00 41.32 C ATOM 968 O LEU A 63 0.334 1.760 12.462 1.00 51.54 O ATOM 969 CB LEU A 63 -1.155 -1.239 12.704 1.00 24.54 C ATOM 970 CG LEU A 63 -1.975 -2.182 13.654 1.00 0.24 C ATOM 971 CD1 LEU A 63 -2.076 -1.593 15.078 1.00 34.31 C ATOM 972 CD2 LEU A 63 -3.368 -2.539 13.076 1.00 34.12 C ATOM 0 H LEU A 63 -3.320 -0.403 11.792 1.00 25.23 H new ATOM 0 HA LEU A 63 -1.535 0.635 13.723 1.00 64.44 H new ATOM 0 HB2 LEU A 63 -1.247 -1.619 11.687 1.00 24.54 H new ATOM 0 HB3 LEU A 63 -0.103 -1.314 12.978 1.00 24.54 H new ATOM 0 HG LEU A 63 -1.424 -3.120 13.724 1.00 0.24 H new ATOM 0 HD11 LEU A 63 -2.650 -2.269 15.712 1.00 34.31 H new ATOM 0 HD12 LEU A 63 -1.075 -1.469 15.492 1.00 34.31 H new ATOM 0 HD13 LEU A 63 -2.574 -0.624 15.037 1.00 34.31 H new ATOM 0 HD21 LEU A 63 -3.894 -3.193 13.772 1.00 34.12 H new ATOM 0 HD22 LEU A 63 -3.946 -1.626 12.929 1.00 34.12 H new ATOM 0 HD23 LEU A 63 -3.246 -3.049 12.121 1.00 34.12 H new ATOM 984 N TYR A 64 -0.639 1.079 10.537 1.00 5.42 N ATOM 985 CA TYR A 64 0.226 1.886 9.638 1.00 41.43 C ATOM 986 C TYR A 64 -0.129 3.390 9.739 1.00 21.10 C ATOM 987 O TYR A 64 0.769 4.243 9.816 1.00 4.00 O ATOM 988 CB TYR A 64 0.092 1.378 8.171 1.00 3.10 C ATOM 989 CG TYR A 64 0.814 2.232 7.103 1.00 53.15 C ATOM 990 CD1 TYR A 64 2.178 2.500 7.196 1.00 54.10 C ATOM 991 CD2 TYR A 64 0.125 2.785 6.013 1.00 33.31 C ATOM 992 CE1 TYR A 64 2.828 3.277 6.255 1.00 74.12 C ATOM 993 CE2 TYR A 64 0.772 3.561 5.067 1.00 34.54 C ATOM 994 CZ TYR A 64 2.125 3.804 5.194 1.00 63.34 C ATOM 995 OH TYR A 64 2.777 4.579 4.254 1.00 23.00 O ATOM 0 H TYR A 64 -1.327 0.510 10.044 1.00 5.42 H new ATOM 0 HA TYR A 64 1.263 1.768 9.951 1.00 41.43 H new ATOM 0 HB2 TYR A 64 0.479 0.360 8.120 1.00 3.10 H new ATOM 0 HB3 TYR A 64 -0.967 1.329 7.917 1.00 3.10 H new ATOM 0 HD1 TYR A 64 2.741 2.091 8.022 1.00 54.10 H new ATOM 0 HD2 TYR A 64 -0.934 2.601 5.910 1.00 33.31 H new ATOM 0 HE1 TYR A 64 3.886 3.471 6.352 1.00 74.12 H new ATOM 0 HE2 TYR A 64 0.222 3.974 4.235 1.00 34.54 H new ATOM 0 HH TYR A 64 2.127 4.927 3.609 1.00 23.00 H new ATOM 1005 N ARG A 65 -1.445 3.695 9.760 1.00 20.31 N ATOM 1006 CA ARG A 65 -1.948 5.083 9.857 1.00 52.51 C ATOM 1007 C ARG A 65 -1.440 5.784 11.143 1.00 41.32 C ATOM 1008 O ARG A 65 -0.878 6.856 11.076 1.00 53.44 O ATOM 1009 CB ARG A 65 -3.506 5.127 9.809 1.00 63.20 C ATOM 1010 CG ARG A 65 -4.117 6.576 9.803 1.00 54.25 C ATOM 1011 CD ARG A 65 -4.988 6.894 11.041 1.00 12.40 C ATOM 1012 NE ARG A 65 -6.293 6.204 10.997 1.00 1.50 N ATOM 1013 CZ ARG A 65 -6.755 5.365 11.898 1.00 12.22 C ATOM 1014 NH1 ARG A 65 -6.011 4.903 12.849 1.00 62.25 N ATOM 1015 NH2 ARG A 65 -7.964 4.941 11.798 1.00 61.10 N ATOM 0 H ARG A 65 -2.183 2.993 9.711 1.00 20.31 H new ATOM 0 HA ARG A 65 -1.558 5.622 8.994 1.00 52.51 H new ATOM 0 HB2 ARG A 65 -3.845 4.600 8.917 1.00 63.20 H new ATOM 0 HB3 ARG A 65 -3.899 4.584 10.669 1.00 63.20 H new ATOM 0 HG2 ARG A 65 -3.306 7.302 9.746 1.00 54.25 H new ATOM 0 HG3 ARG A 65 -4.721 6.701 8.904 1.00 54.25 H new ATOM 0 HD2 ARG A 65 -4.454 6.600 11.944 1.00 12.40 H new ATOM 0 HD3 ARG A 65 -5.150 7.970 11.103 1.00 12.40 H new ATOM 0 HE ARG A 65 -6.891 6.396 10.193 1.00 1.50 H new ATOM 0 HH11 ARG A 65 -5.034 5.188 12.916 1.00 62.25 H new ATOM 0 HH12 ARG A 65 -6.401 4.253 13.532 1.00 62.25 H new ATOM 0 HH21 ARG A 65 -8.553 5.255 11.027 1.00 61.10 H new ATOM 0 HH22 ARG A 65 -8.335 4.290 12.490 1.00 61.10 H new ATOM 1029 N GLU A 66 -1.625 5.140 12.303 1.00 14.33 N ATOM 1030 CA GLU A 66 -1.242 5.703 13.627 1.00 0.03 C ATOM 1031 C GLU A 66 0.291 5.757 13.834 1.00 73.53 C ATOM 1032 O GLU A 66 0.803 6.710 14.429 1.00 34.34 O ATOM 1033 CB GLU A 66 -1.926 4.892 14.760 1.00 22.44 C ATOM 1034 CG GLU A 66 -3.457 5.069 14.806 1.00 61.13 C ATOM 1035 CD GLU A 66 -4.174 4.097 15.758 1.00 62.42 C ATOM 1036 OE1 GLU A 66 -3.885 4.126 16.971 1.00 61.12 O ATOM 1037 OE2 GLU A 66 -5.019 3.300 15.290 1.00 61.22 O ATOM 0 H GLU A 66 -2.044 4.212 12.362 1.00 14.33 H new ATOM 0 HA GLU A 66 -1.591 6.735 13.658 1.00 0.03 H new ATOM 0 HB2 GLU A 66 -1.694 3.835 14.630 1.00 22.44 H new ATOM 0 HB3 GLU A 66 -1.504 5.195 15.718 1.00 22.44 H new ATOM 0 HG2 GLU A 66 -3.685 6.091 15.109 1.00 61.13 H new ATOM 0 HG3 GLU A 66 -3.857 4.938 13.801 1.00 61.13 H new ATOM 1044 N LYS A 67 1.015 4.748 13.323 1.00 42.44 N ATOM 1045 CA LYS A 67 2.494 4.671 13.455 1.00 13.33 C ATOM 1046 C LYS A 67 3.180 5.836 12.673 1.00 2.12 C ATOM 1047 O LYS A 67 4.206 6.370 13.091 1.00 1.23 O ATOM 1048 CB LYS A 67 2.997 3.264 12.960 1.00 52.24 C ATOM 1049 CG LYS A 67 4.251 2.689 13.676 1.00 62.30 C ATOM 1050 CD LYS A 67 5.542 3.497 13.420 1.00 74.04 C ATOM 1051 CE LYS A 67 6.726 3.025 14.277 1.00 34.40 C ATOM 1052 NZ LYS A 67 7.895 3.937 14.176 1.00 54.42 N ATOM 0 H LYS A 67 0.605 3.967 12.811 1.00 42.44 H new ATOM 0 HA LYS A 67 2.768 4.783 14.504 1.00 13.33 H new ATOM 0 HB2 LYS A 67 2.181 2.550 13.073 1.00 52.24 H new ATOM 0 HB3 LYS A 67 3.214 3.334 11.894 1.00 52.24 H new ATOM 0 HG2 LYS A 67 4.062 2.656 14.749 1.00 62.30 H new ATOM 0 HG3 LYS A 67 4.406 1.661 13.347 1.00 62.30 H new ATOM 0 HD2 LYS A 67 5.810 3.419 12.366 1.00 74.04 H new ATOM 0 HD3 LYS A 67 5.351 4.551 13.623 1.00 74.04 H new ATOM 0 HE2 LYS A 67 6.412 2.954 15.318 1.00 34.40 H new ATOM 0 HE3 LYS A 67 7.021 2.023 13.964 1.00 34.40 H new ATOM 0 HZ1 LYS A 67 8.762 3.419 14.426 1.00 54.42 H new ATOM 0 HZ2 LYS A 67 7.974 4.294 13.202 1.00 54.42 H new ATOM 0 HZ3 LYS A 67 7.769 4.737 14.829 1.00 54.42 H new ATOM 1066 N PHE A 68 2.606 6.223 11.527 1.00 50.15 N ATOM 1067 CA PHE A 68 3.213 7.261 10.651 1.00 74.24 C ATOM 1068 C PHE A 68 2.477 8.625 10.675 1.00 71.15 C ATOM 1069 O PHE A 68 3.021 9.616 10.186 1.00 62.11 O ATOM 1070 CB PHE A 68 3.360 6.693 9.221 1.00 71.22 C ATOM 1071 CG PHE A 68 4.391 5.560 9.136 1.00 31.24 C ATOM 1072 CD1 PHE A 68 4.061 4.256 9.503 1.00 41.13 C ATOM 1073 CD2 PHE A 68 5.697 5.811 8.723 1.00 23.11 C ATOM 1074 CE1 PHE A 68 4.996 3.243 9.461 1.00 35.33 C ATOM 1075 CE2 PHE A 68 6.632 4.794 8.676 1.00 71.15 C ATOM 1076 CZ PHE A 68 6.280 3.512 9.046 1.00 64.21 C ATOM 0 H PHE A 68 1.727 5.842 11.177 1.00 50.15 H new ATOM 0 HA PHE A 68 4.199 7.493 11.053 1.00 74.24 H new ATOM 0 HB2 PHE A 68 2.393 6.324 8.880 1.00 71.22 H new ATOM 0 HB3 PHE A 68 3.652 7.496 8.544 1.00 71.22 H new ATOM 0 HD1 PHE A 68 3.054 4.035 9.826 1.00 41.13 H new ATOM 0 HD2 PHE A 68 5.983 6.812 8.436 1.00 23.11 H new ATOM 0 HE1 PHE A 68 4.721 2.240 9.753 1.00 35.33 H new ATOM 0 HE2 PHE A 68 7.640 5.003 8.349 1.00 71.15 H new ATOM 0 HZ PHE A 68 7.013 2.719 9.010 1.00 64.21 H new ATOM 1086 N PHE A 69 1.241 8.681 11.192 1.00 31.34 N ATOM 1087 CA PHE A 69 0.529 9.974 11.427 1.00 43.13 C ATOM 1088 C PHE A 69 0.727 10.503 12.877 1.00 72.40 C ATOM 1089 O PHE A 69 0.916 11.704 13.084 1.00 44.44 O ATOM 1090 CB PHE A 69 -0.978 9.869 11.079 1.00 4.40 C ATOM 1091 CG PHE A 69 -1.710 11.212 11.106 1.00 2.33 C ATOM 1092 CD1 PHE A 69 -1.437 12.186 10.145 1.00 24.12 C ATOM 1093 CD2 PHE A 69 -2.652 11.513 12.092 1.00 5.54 C ATOM 1094 CE1 PHE A 69 -2.074 13.411 10.174 1.00 3.21 C ATOM 1095 CE2 PHE A 69 -3.290 12.738 12.115 1.00 1.33 C ATOM 1096 CZ PHE A 69 -2.999 13.687 11.156 1.00 10.40 C ATOM 0 H PHE A 69 0.704 7.856 11.459 1.00 31.34 H new ATOM 0 HA PHE A 69 0.981 10.701 10.752 1.00 43.13 H new ATOM 0 HB2 PHE A 69 -1.083 9.428 10.088 1.00 4.40 H new ATOM 0 HB3 PHE A 69 -1.458 9.189 11.783 1.00 4.40 H new ATOM 0 HD1 PHE A 69 -0.717 11.979 9.367 1.00 24.12 H new ATOM 0 HD2 PHE A 69 -2.885 10.777 12.848 1.00 5.54 H new ATOM 0 HE1 PHE A 69 -1.846 14.154 9.425 1.00 3.21 H new ATOM 0 HE2 PHE A 69 -4.017 12.953 12.884 1.00 1.33 H new ATOM 0 HZ PHE A 69 -3.496 14.645 11.176 1.00 10.40 H new ATOM 1106 N HIS A 70 0.637 9.612 13.890 1.00 14.43 N ATOM 1107 CA HIS A 70 0.752 10.018 15.326 1.00 41.33 C ATOM 1108 C HIS A 70 2.208 9.928 15.849 1.00 63.52 C ATOM 1109 O HIS A 70 2.648 10.784 16.623 1.00 70.13 O ATOM 1110 CB HIS A 70 -0.181 9.157 16.218 1.00 45.32 C ATOM 1111 CG HIS A 70 -1.648 9.284 15.905 1.00 23.11 C ATOM 1112 ND1 HIS A 70 -2.554 8.271 16.121 1.00 51.32 N ATOM 1113 CD2 HIS A 70 -2.371 10.328 15.432 1.00 0.43 C ATOM 1114 CE1 HIS A 70 -3.759 8.679 15.792 1.00 23.40 C ATOM 1115 NE2 HIS A 70 -3.679 9.920 15.374 1.00 4.41 N ATOM 0 H HIS A 70 0.486 8.613 13.751 1.00 14.43 H new ATOM 0 HA HIS A 70 0.443 11.062 15.382 1.00 41.33 H new ATOM 0 HB2 HIS A 70 0.108 8.111 16.118 1.00 45.32 H new ATOM 0 HB3 HIS A 70 -0.021 9.434 17.260 1.00 45.32 H new ATOM 0 HD2 HIS A 70 -1.989 11.299 15.153 1.00 0.43 H new ATOM 0 HE1 HIS A 70 -4.663 8.092 15.855 1.00 23.40 H new ATOM 0 HE2 HIS A 70 -4.463 10.490 15.057 1.00 4.41 H new ATOM 1124 N ASN A 71 2.952 8.895 15.417 1.00 72.15 N ATOM 1125 CA ASN A 71 4.366 8.688 15.845 1.00 72.13 C ATOM 1126 C ASN A 71 5.363 9.325 14.824 1.00 33.42 C ATOM 1127 O ASN A 71 6.583 9.287 15.017 1.00 44.13 O ATOM 1128 CB ASN A 71 4.620 7.164 16.037 1.00 63.50 C ATOM 1129 CG ASN A 71 5.938 6.816 16.733 1.00 74.30 C ATOM 1130 OD1 ASN A 71 6.627 5.869 16.352 1.00 24.15 O ATOM 1131 ND2 ASN A 71 6.280 7.538 17.787 1.00 43.35 N ATOM 0 H ASN A 71 2.607 8.185 14.771 1.00 72.15 H new ATOM 0 HA ASN A 71 4.537 9.192 16.796 1.00 72.13 H new ATOM 0 HB2 ASN A 71 3.798 6.743 16.615 1.00 63.50 H new ATOM 0 HB3 ASN A 71 4.603 6.681 15.060 1.00 63.50 H new ATOM 0 HD21 ASN A 71 7.131 7.315 18.304 1.00 43.35 H new ATOM 0 HD22 ASN A 71 5.693 8.318 18.083 1.00 43.35 H new ATOM 1138 N ASN A 72 4.809 9.908 13.744 1.00 30.30 N ATOM 1139 CA ASN A 72 5.572 10.644 12.699 1.00 10.03 C ATOM 1140 C ASN A 72 4.715 11.815 12.133 1.00 75.13 C ATOM 1141 O ASN A 72 3.490 11.745 12.143 1.00 54.30 O ATOM 1142 CB ASN A 72 6.023 9.638 11.593 1.00 73.31 C ATOM 1143 CG ASN A 72 6.609 10.279 10.333 1.00 21.12 C ATOM 1144 OD1 ASN A 72 7.783 10.605 10.276 1.00 42.04 O ATOM 1145 ND2 ASN A 72 5.795 10.449 9.309 1.00 54.23 N ATOM 0 H ASN A 72 3.805 9.885 13.564 1.00 30.30 H new ATOM 0 HA ASN A 72 6.469 11.092 13.127 1.00 10.03 H new ATOM 0 HB2 ASN A 72 6.766 8.964 12.018 1.00 73.31 H new ATOM 0 HB3 ASN A 72 5.166 9.028 11.307 1.00 73.31 H new ATOM 0 HD21 ASN A 72 6.143 10.862 8.444 1.00 54.23 H new ATOM 0 HD22 ASN A 72 4.817 10.168 9.383 1.00 54.23 H new ATOM 1152 N ALA A 73 5.373 12.885 11.643 1.00 25.42 N ATOM 1153 CA ALA A 73 4.696 14.089 11.089 1.00 22.33 C ATOM 1154 C ALA A 73 4.017 13.787 9.731 1.00 43.44 C ATOM 1155 O ALA A 73 4.572 13.042 8.935 1.00 73.22 O ATOM 1156 CB ALA A 73 5.709 15.235 10.938 1.00 70.12 C ATOM 0 H ALA A 73 6.391 12.945 11.617 1.00 25.42 H new ATOM 0 HA ALA A 73 3.914 14.388 11.787 1.00 22.33 H new ATOM 0 HB1 ALA A 73 5.207 16.113 10.532 1.00 70.12 H new ATOM 0 HB2 ALA A 73 6.132 15.477 11.913 1.00 70.12 H new ATOM 0 HB3 ALA A 73 6.507 14.928 10.262 1.00 70.12 H new ATOM 1162 N HIS A 74 2.813 14.358 9.484 1.00 72.33 N ATOM 1163 CA HIS A 74 2.023 14.100 8.244 1.00 14.44 C ATOM 1164 C HIS A 74 2.809 14.415 6.939 1.00 72.54 C ATOM 1165 O HIS A 74 2.715 13.662 5.970 1.00 73.54 O ATOM 1166 CB HIS A 74 0.694 14.894 8.258 1.00 72.12 C ATOM 1167 CG HIS A 74 -0.167 14.675 7.027 1.00 63.32 C ATOM 1168 ND1 HIS A 74 -0.606 15.722 6.255 1.00 30.20 N ATOM 1169 CD2 HIS A 74 -0.605 13.514 6.466 1.00 14.34 C ATOM 1170 CE1 HIS A 74 -1.283 15.186 5.261 1.00 33.55 C ATOM 1171 NE2 HIS A 74 -1.310 13.855 5.344 1.00 20.14 N ATOM 0 H HIS A 74 2.361 15.006 10.129 1.00 72.33 H new ATOM 0 HA HIS A 74 1.811 13.031 8.243 1.00 14.44 H new ATOM 0 HB2 HIS A 74 0.123 14.613 9.143 1.00 72.12 H new ATOM 0 HB3 HIS A 74 0.918 15.957 8.348 1.00 72.12 H new ATOM 0 HD2 HIS A 74 -0.429 12.515 6.836 1.00 14.34 H new ATOM 0 HE1 HIS A 74 -1.758 15.754 4.475 1.00 33.55 H new ATOM 0 HE2 HIS A 74 -1.768 13.215 4.696 1.00 20.14 H new ATOM 1179 N ASN A 75 3.558 15.527 6.919 1.00 44.25 N ATOM 1180 CA ASN A 75 4.380 15.921 5.746 1.00 61.20 C ATOM 1181 C ASN A 75 5.488 14.864 5.466 1.00 53.35 C ATOM 1182 O ASN A 75 5.731 14.481 4.314 1.00 63.21 O ATOM 1183 CB ASN A 75 4.998 17.318 5.988 1.00 41.44 C ATOM 1184 CG ASN A 75 5.597 17.931 4.724 1.00 3.21 C ATOM 1185 OD1 ASN A 75 6.765 17.739 4.419 1.00 60.30 O ATOM 1186 ND2 ASN A 75 4.795 18.674 3.981 1.00 41.42 N ATOM 0 H ASN A 75 3.617 16.178 7.702 1.00 44.25 H new ATOM 0 HA ASN A 75 3.739 15.968 4.866 1.00 61.20 H new ATOM 0 HB2 ASN A 75 4.231 17.986 6.381 1.00 41.44 H new ATOM 0 HB3 ASN A 75 5.773 17.239 6.750 1.00 41.44 H new ATOM 0 HD21 ASN A 75 5.146 19.106 3.126 1.00 41.42 H new ATOM 0 HD22 ASN A 75 3.825 18.815 4.262 1.00 41.42 H new ATOM 1193 N ARG A 76 6.131 14.391 6.553 1.00 55.41 N ATOM 1194 CA ARG A 76 7.076 13.245 6.526 1.00 44.42 C ATOM 1195 C ARG A 76 6.371 11.949 6.045 1.00 42.31 C ATOM 1196 O ARG A 76 6.952 11.167 5.300 1.00 13.14 O ATOM 1197 CB ARG A 76 7.703 13.025 7.947 1.00 60.30 C ATOM 1198 CG ARG A 76 9.171 13.478 8.114 1.00 31.03 C ATOM 1199 CD ARG A 76 10.175 12.634 7.272 1.00 33.24 C ATOM 1200 NE ARG A 76 10.683 13.344 6.083 1.00 4.23 N ATOM 1201 CZ ARG A 76 11.913 13.255 5.615 1.00 63.31 C ATOM 1202 NH1 ARG A 76 12.805 12.493 6.181 1.00 52.51 N ATOM 1203 NH2 ARG A 76 12.246 13.935 4.577 1.00 22.33 N ATOM 0 H ARG A 76 6.011 14.793 7.483 1.00 55.41 H new ATOM 0 HA ARG A 76 7.871 13.480 5.819 1.00 44.42 H new ATOM 0 HB2 ARG A 76 7.094 13.556 8.678 1.00 60.30 H new ATOM 0 HB3 ARG A 76 7.640 11.964 8.190 1.00 60.30 H new ATOM 0 HG2 ARG A 76 9.256 14.526 7.825 1.00 31.03 H new ATOM 0 HG3 ARG A 76 9.446 13.414 9.167 1.00 31.03 H new ATOM 0 HD2 ARG A 76 11.017 12.348 7.903 1.00 33.24 H new ATOM 0 HD3 ARG A 76 9.687 11.712 6.955 1.00 33.24 H new ATOM 0 HE ARG A 76 10.033 13.951 5.584 1.00 4.23 H new ATOM 0 HH11 ARG A 76 12.559 11.947 7.007 1.00 52.51 H new ATOM 0 HH12 ARG A 76 13.749 12.442 5.799 1.00 52.51 H new ATOM 0 HH21 ARG A 76 11.561 14.538 4.121 1.00 22.33 H new ATOM 0 HH22 ARG A 76 13.195 13.872 4.209 1.00 22.33 H new ATOM 1217 N PHE A 77 5.113 11.749 6.497 1.00 73.02 N ATOM 1218 CA PHE A 77 4.274 10.589 6.123 1.00 61.11 C ATOM 1219 C PHE A 77 4.000 10.564 4.607 1.00 52.41 C ATOM 1220 O PHE A 77 4.015 9.503 4.021 1.00 30.33 O ATOM 1221 CB PHE A 77 2.932 10.586 6.927 1.00 41.42 C ATOM 1222 CG PHE A 77 1.857 9.608 6.411 1.00 42.14 C ATOM 1223 CD1 PHE A 77 2.083 8.232 6.403 1.00 1.24 C ATOM 1224 CD2 PHE A 77 0.634 10.071 5.909 1.00 22.12 C ATOM 1225 CE1 PHE A 77 1.131 7.354 5.920 1.00 64.02 C ATOM 1226 CE2 PHE A 77 -0.316 9.189 5.422 1.00 43.31 C ATOM 1227 CZ PHE A 77 -0.065 7.831 5.430 1.00 11.41 C ATOM 0 H PHE A 77 4.648 12.393 7.137 1.00 73.02 H new ATOM 0 HA PHE A 77 4.827 9.685 6.379 1.00 61.11 H new ATOM 0 HB2 PHE A 77 3.151 10.344 7.967 1.00 41.42 H new ATOM 0 HB3 PHE A 77 2.518 11.594 6.915 1.00 41.42 H new ATOM 0 HD1 PHE A 77 3.018 7.846 6.781 1.00 1.24 H new ATOM 0 HD2 PHE A 77 0.429 11.131 5.902 1.00 22.12 H new ATOM 0 HE1 PHE A 77 1.325 6.292 5.927 1.00 64.02 H new ATOM 0 HE2 PHE A 77 -1.253 9.563 5.036 1.00 43.31 H new ATOM 0 HZ PHE A 77 -0.806 7.143 5.052 1.00 11.41 H new ATOM 1237 N ILE A 78 3.756 11.739 3.995 1.00 55.52 N ATOM 1238 CA ILE A 78 3.540 11.856 2.527 1.00 3.51 C ATOM 1239 C ILE A 78 4.819 11.425 1.752 1.00 3.44 C ATOM 1240 O ILE A 78 4.741 10.680 0.764 1.00 11.11 O ATOM 1241 CB ILE A 78 3.119 13.325 2.118 1.00 23.42 C ATOM 1242 CG1 ILE A 78 1.812 13.775 2.854 1.00 53.12 C ATOM 1243 CG2 ILE A 78 2.958 13.468 0.580 1.00 75.42 C ATOM 1244 CD1 ILE A 78 0.582 12.921 2.578 1.00 52.41 C ATOM 0 H ILE A 78 3.702 12.628 4.491 1.00 55.52 H new ATOM 0 HA ILE A 78 2.722 11.187 2.259 1.00 3.51 H new ATOM 0 HB ILE A 78 3.927 13.985 2.433 1.00 23.42 H new ATOM 0 HG12 ILE A 78 2.001 13.774 3.928 1.00 53.12 H new ATOM 0 HG13 ILE A 78 1.591 14.804 2.570 1.00 53.12 H new ATOM 0 HG21 ILE A 78 2.668 14.491 0.338 1.00 75.42 H new ATOM 0 HG22 ILE A 78 3.904 13.234 0.092 1.00 75.42 H new ATOM 0 HG23 ILE A 78 2.189 12.780 0.229 1.00 75.42 H new ATOM 0 HD11 ILE A 78 -0.268 13.316 3.134 1.00 52.41 H new ATOM 0 HD12 ILE A 78 0.358 12.940 1.511 1.00 52.41 H new ATOM 0 HD13 ILE A 78 0.774 11.895 2.890 1.00 52.41 H new ATOM 1256 N GLU A 79 5.989 11.875 2.253 1.00 51.04 N ATOM 1257 CA GLU A 79 7.318 11.493 1.709 1.00 31.15 C ATOM 1258 C GLU A 79 7.575 9.971 1.807 1.00 54.44 C ATOM 1259 O GLU A 79 8.065 9.342 0.858 1.00 5.13 O ATOM 1260 CB GLU A 79 8.440 12.290 2.432 1.00 51.31 C ATOM 1261 CG GLU A 79 8.409 13.807 2.156 1.00 0.22 C ATOM 1262 CD GLU A 79 9.624 14.548 2.726 1.00 13.42 C ATOM 1263 OE1 GLU A 79 10.689 14.563 2.063 1.00 70.25 O ATOM 1264 OE2 GLU A 79 9.539 15.096 3.848 1.00 62.03 O ATOM 0 H GLU A 79 6.043 12.514 3.046 1.00 51.04 H new ATOM 0 HA GLU A 79 7.326 11.747 0.649 1.00 31.15 H new ATOM 0 HB2 GLU A 79 8.355 12.125 3.506 1.00 51.31 H new ATOM 0 HB3 GLU A 79 9.408 11.895 2.125 1.00 51.31 H new ATOM 0 HG2 GLU A 79 8.362 13.973 1.080 1.00 0.22 H new ATOM 0 HG3 GLU A 79 7.500 14.229 2.584 1.00 0.22 H new ATOM 1271 N LEU A 80 7.200 9.395 2.955 1.00 23.32 N ATOM 1272 CA LEU A 80 7.325 7.953 3.222 1.00 74.44 C ATOM 1273 C LEU A 80 6.269 7.141 2.434 1.00 2.11 C ATOM 1274 O LEU A 80 6.560 6.053 1.957 1.00 31.33 O ATOM 1275 CB LEU A 80 7.203 7.689 4.747 1.00 54.44 C ATOM 1276 CG LEU A 80 8.338 8.302 5.632 1.00 51.44 C ATOM 1277 CD1 LEU A 80 8.044 8.118 7.136 1.00 23.42 C ATOM 1278 CD2 LEU A 80 9.723 7.728 5.245 1.00 71.41 C ATOM 0 H LEU A 80 6.798 9.919 3.732 1.00 23.32 H new ATOM 0 HA LEU A 80 8.307 7.622 2.883 1.00 74.44 H new ATOM 0 HB2 LEU A 80 6.246 8.083 5.090 1.00 54.44 H new ATOM 0 HB3 LEU A 80 7.181 6.612 4.910 1.00 54.44 H new ATOM 0 HG LEU A 80 8.364 9.374 5.439 1.00 51.44 H new ATOM 0 HD11 LEU A 80 8.853 8.556 7.721 1.00 23.42 H new ATOM 0 HD12 LEU A 80 7.106 8.613 7.387 1.00 23.42 H new ATOM 0 HD13 LEU A 80 7.965 7.055 7.364 1.00 23.42 H new ATOM 0 HD21 LEU A 80 10.491 8.173 5.878 1.00 71.41 H new ATOM 0 HD22 LEU A 80 9.720 6.647 5.384 1.00 71.41 H new ATOM 0 HD23 LEU A 80 9.934 7.959 4.201 1.00 71.41 H new ATOM 1290 N ASN A 81 5.067 7.713 2.262 1.00 35.05 N ATOM 1291 CA ASN A 81 3.908 7.023 1.646 1.00 55.24 C ATOM 1292 C ASN A 81 4.194 6.713 0.157 1.00 72.02 C ATOM 1293 O ASN A 81 3.927 5.617 -0.316 1.00 65.04 O ATOM 1294 CB ASN A 81 2.620 7.898 1.793 1.00 21.32 C ATOM 1295 CG ASN A 81 1.308 7.108 1.728 1.00 12.25 C ATOM 1296 OD1 ASN A 81 1.250 5.950 2.116 1.00 74.42 O ATOM 1297 ND2 ASN A 81 0.236 7.742 1.277 1.00 33.30 N ATOM 0 H ASN A 81 4.864 8.672 2.546 1.00 35.05 H new ATOM 0 HA ASN A 81 3.744 6.078 2.165 1.00 55.24 H new ATOM 0 HB2 ASN A 81 2.663 8.430 2.743 1.00 21.32 H new ATOM 0 HB3 ASN A 81 2.616 8.652 1.006 1.00 21.32 H new ATOM 0 HD21 ASN A 81 -0.665 7.264 1.248 1.00 33.30 H new ATOM 0 HD22 ASN A 81 0.311 8.708 0.959 1.00 33.30 H new ATOM 1304 N PHE A 82 4.789 7.692 -0.557 1.00 11.55 N ATOM 1305 CA PHE A 82 5.180 7.531 -1.979 1.00 13.11 C ATOM 1306 C PHE A 82 6.251 6.434 -2.184 1.00 52.42 C ATOM 1307 O PHE A 82 6.152 5.654 -3.128 1.00 73.31 O ATOM 1308 CB PHE A 82 5.688 8.867 -2.578 1.00 11.54 C ATOM 1309 CG PHE A 82 4.594 9.877 -2.910 1.00 32.30 C ATOM 1310 CD1 PHE A 82 3.510 9.524 -3.711 1.00 23.12 C ATOM 1311 CD2 PHE A 82 4.668 11.181 -2.451 1.00 62.35 C ATOM 1312 CE1 PHE A 82 2.542 10.454 -4.032 1.00 54.25 C ATOM 1313 CE2 PHE A 82 3.708 12.110 -2.769 1.00 40.32 C ATOM 1314 CZ PHE A 82 2.644 11.747 -3.564 1.00 61.53 C ATOM 0 H PHE A 82 5.012 8.609 -0.171 1.00 11.55 H new ATOM 0 HA PHE A 82 4.277 7.219 -2.504 1.00 13.11 H new ATOM 0 HB2 PHE A 82 6.383 9.324 -1.873 1.00 11.54 H new ATOM 0 HB3 PHE A 82 6.251 8.651 -3.486 1.00 11.54 H new ATOM 0 HD1 PHE A 82 3.426 8.514 -4.084 1.00 23.12 H new ATOM 0 HD2 PHE A 82 5.500 11.475 -1.828 1.00 62.35 H new ATOM 0 HE1 PHE A 82 1.704 10.169 -4.650 1.00 54.25 H new ATOM 0 HE2 PHE A 82 3.787 13.121 -2.397 1.00 40.32 H new ATOM 0 HZ PHE A 82 1.889 12.475 -3.821 1.00 61.53 H new ATOM 1324 N LYS A 83 7.291 6.402 -1.326 1.00 20.54 N ATOM 1325 CA LYS A 83 8.374 5.388 -1.431 1.00 65.03 C ATOM 1326 C LYS A 83 7.920 3.973 -0.977 1.00 13.11 C ATOM 1327 O LYS A 83 8.485 2.964 -1.418 1.00 61.54 O ATOM 1328 CB LYS A 83 9.659 5.848 -0.699 1.00 65.44 C ATOM 1329 CG LYS A 83 9.521 6.067 0.819 1.00 23.01 C ATOM 1330 CD LYS A 83 10.804 6.652 1.456 1.00 73.44 C ATOM 1331 CE LYS A 83 11.185 8.034 0.881 1.00 45.32 C ATOM 1332 NZ LYS A 83 12.434 8.558 1.476 1.00 30.52 N ATOM 0 H LYS A 83 7.409 7.060 -0.555 1.00 20.54 H new ATOM 0 HA LYS A 83 8.616 5.302 -2.490 1.00 65.03 H new ATOM 0 HB2 LYS A 83 10.438 5.106 -0.871 1.00 65.44 H new ATOM 0 HB3 LYS A 83 10.000 6.779 -1.152 1.00 65.44 H new ATOM 0 HG2 LYS A 83 8.685 6.740 1.011 1.00 23.01 H new ATOM 0 HG3 LYS A 83 9.282 5.118 1.299 1.00 23.01 H new ATOM 0 HD2 LYS A 83 10.661 6.739 2.533 1.00 73.44 H new ATOM 0 HD3 LYS A 83 11.630 5.959 1.299 1.00 73.44 H new ATOM 0 HE2 LYS A 83 11.303 7.957 -0.200 1.00 45.32 H new ATOM 0 HE3 LYS A 83 10.373 8.738 1.063 1.00 45.32 H new ATOM 0 HZ1 LYS A 83 12.653 9.487 1.062 1.00 30.52 H new ATOM 0 HZ2 LYS A 83 12.314 8.657 2.504 1.00 30.52 H new ATOM 0 HZ3 LYS A 83 13.215 7.899 1.280 1.00 30.52 H new ATOM 1346 N HIS A 84 6.903 3.916 -0.095 1.00 45.31 N ATOM 1347 CA HIS A 84 6.290 2.645 0.353 1.00 72.12 C ATOM 1348 C HIS A 84 5.378 2.040 -0.734 1.00 52.15 C ATOM 1349 O HIS A 84 5.400 0.838 -0.988 1.00 44.21 O ATOM 1350 CB HIS A 84 5.459 2.866 1.646 1.00 31.00 C ATOM 1351 CG HIS A 84 6.260 3.244 2.863 1.00 31.25 C ATOM 1352 ND1 HIS A 84 5.714 3.917 3.934 1.00 44.54 N ATOM 1353 CD2 HIS A 84 7.555 3.025 3.191 1.00 71.21 C ATOM 1354 CE1 HIS A 84 6.622 4.086 4.865 1.00 72.50 C ATOM 1355 NE2 HIS A 84 7.750 3.556 4.441 1.00 54.11 N ATOM 0 H HIS A 84 6.483 4.744 0.327 1.00 45.31 H new ATOM 0 HA HIS A 84 7.105 1.949 0.553 1.00 72.12 H new ATOM 0 HB2 HIS A 84 4.723 3.648 1.457 1.00 31.00 H new ATOM 0 HB3 HIS A 84 4.905 1.953 1.864 1.00 31.00 H new ATOM 0 HD1 HIS A 84 4.747 4.236 3.994 1.00 44.54 H new ATOM 0 HD2 HIS A 84 8.295 2.526 2.583 1.00 71.21 H new ATOM 0 HE1 HIS A 84 6.471 4.576 5.816 1.00 72.50 H new ATOM 1364 N LEU A 85 4.562 2.893 -1.358 1.00 34.45 N ATOM 1365 CA LEU A 85 3.503 2.444 -2.282 1.00 64.34 C ATOM 1366 C LEU A 85 3.976 2.398 -3.767 1.00 43.22 C ATOM 1367 O LEU A 85 3.573 1.508 -4.524 1.00 35.43 O ATOM 1368 CB LEU A 85 2.289 3.409 -2.106 1.00 42.42 C ATOM 1369 CG LEU A 85 1.653 3.472 -0.674 1.00 14.21 C ATOM 1370 CD1 LEU A 85 0.454 4.447 -0.641 1.00 15.25 C ATOM 1371 CD2 LEU A 85 1.257 2.069 -0.154 1.00 51.30 C ATOM 0 H LEU A 85 4.611 3.905 -1.243 1.00 34.45 H new ATOM 0 HA LEU A 85 3.224 1.419 -2.037 1.00 64.34 H new ATOM 0 HB2 LEU A 85 2.608 4.414 -2.383 1.00 42.42 H new ATOM 0 HB3 LEU A 85 1.513 3.115 -2.812 1.00 42.42 H new ATOM 0 HG LEU A 85 2.416 3.857 0.003 1.00 14.21 H new ATOM 0 HD11 LEU A 85 0.032 4.471 0.364 1.00 15.25 H new ATOM 0 HD12 LEU A 85 0.790 5.446 -0.918 1.00 15.25 H new ATOM 0 HD13 LEU A 85 -0.307 4.112 -1.346 1.00 15.25 H new ATOM 0 HD21 LEU A 85 0.821 2.159 0.841 1.00 51.30 H new ATOM 0 HD22 LEU A 85 0.528 1.622 -0.831 1.00 51.30 H new ATOM 0 HD23 LEU A 85 2.143 1.436 -0.105 1.00 51.30 H new ATOM 1383 N LEU A 86 4.881 3.313 -4.155 1.00 53.35 N ATOM 1384 CA LEU A 86 5.314 3.493 -5.580 1.00 53.43 C ATOM 1385 C LEU A 86 6.856 3.565 -5.749 1.00 34.34 C ATOM 1386 O LEU A 86 7.360 3.430 -6.868 1.00 23.13 O ATOM 1387 CB LEU A 86 4.655 4.795 -6.152 1.00 10.15 C ATOM 1388 CG LEU A 86 3.112 4.738 -6.408 1.00 53.11 C ATOM 1389 CD1 LEU A 86 2.533 6.131 -6.759 1.00 43.43 C ATOM 1390 CD2 LEU A 86 2.779 3.699 -7.505 1.00 21.55 C ATOM 0 H LEU A 86 5.339 3.952 -3.506 1.00 53.35 H new ATOM 0 HA LEU A 86 4.984 2.614 -6.133 1.00 53.43 H new ATOM 0 HB2 LEU A 86 4.857 5.613 -5.460 1.00 10.15 H new ATOM 0 HB3 LEU A 86 5.148 5.044 -7.092 1.00 10.15 H new ATOM 0 HG LEU A 86 2.635 4.421 -5.481 1.00 53.11 H new ATOM 0 HD11 LEU A 86 1.460 6.047 -6.929 1.00 43.43 H new ATOM 0 HD12 LEU A 86 2.717 6.820 -5.934 1.00 43.43 H new ATOM 0 HD13 LEU A 86 3.015 6.508 -7.661 1.00 43.43 H new ATOM 0 HD21 LEU A 86 1.702 3.675 -7.668 1.00 21.55 H new ATOM 0 HD22 LEU A 86 3.280 3.976 -8.433 1.00 21.55 H new ATOM 0 HD23 LEU A 86 3.120 2.713 -7.188 1.00 21.55 H new ATOM 1402 N GLY A 87 7.593 3.790 -4.650 1.00 15.04 N ATOM 1403 CA GLY A 87 9.052 4.008 -4.718 1.00 4.52 C ATOM 1404 C GLY A 87 9.447 5.434 -5.142 1.00 4.25 C ATOM 1405 O GLY A 87 10.572 5.652 -5.590 1.00 53.33 O ATOM 0 H GLY A 87 7.208 3.826 -3.706 1.00 15.04 H new ATOM 0 HA2 GLY A 87 9.488 3.795 -3.742 1.00 4.52 H new ATOM 0 HA3 GLY A 87 9.484 3.297 -5.422 1.00 4.52 H new ATOM 1409 N ARG A 88 8.518 6.408 -4.986 1.00 25.24 N ATOM 1410 CA ARG A 88 8.737 7.832 -5.387 1.00 1.11 C ATOM 1411 C ARG A 88 9.226 8.702 -4.203 1.00 11.41 C ATOM 1412 O ARG A 88 9.029 8.359 -3.032 1.00 62.14 O ATOM 1413 CB ARG A 88 7.420 8.450 -5.941 1.00 70.44 C ATOM 1414 CG ARG A 88 6.832 7.739 -7.174 1.00 10.14 C ATOM 1415 CD ARG A 88 5.500 8.363 -7.638 1.00 33.12 C ATOM 1416 NE ARG A 88 5.648 9.770 -8.077 1.00 51.34 N ATOM 1417 CZ ARG A 88 5.345 10.235 -9.275 1.00 65.42 C ATOM 1418 NH1 ARG A 88 4.915 9.450 -10.211 1.00 73.42 N ATOM 1419 NH2 ARG A 88 5.479 11.487 -9.536 1.00 11.54 N ATOM 0 H ARG A 88 7.598 6.237 -4.581 1.00 25.24 H new ATOM 0 HA ARG A 88 9.508 7.824 -6.158 1.00 1.11 H new ATOM 0 HB2 ARG A 88 6.673 8.445 -5.147 1.00 70.44 H new ATOM 0 HB3 ARG A 88 7.606 9.493 -6.197 1.00 70.44 H new ATOM 0 HG2 ARG A 88 7.553 7.780 -7.991 1.00 10.14 H new ATOM 0 HG3 ARG A 88 6.674 6.686 -6.941 1.00 10.14 H new ATOM 0 HD2 ARG A 88 5.093 7.772 -8.459 1.00 33.12 H new ATOM 0 HD3 ARG A 88 4.778 8.315 -6.823 1.00 33.12 H new ATOM 0 HE ARG A 88 6.015 10.436 -7.397 1.00 51.34 H new ATOM 0 HH11 ARG A 88 4.805 8.452 -10.029 1.00 73.42 H new ATOM 0 HH12 ARG A 88 4.686 9.829 -11.130 1.00 73.42 H new ATOM 0 HH21 ARG A 88 5.820 12.124 -8.816 1.00 11.54 H new ATOM 0 HH22 ARG A 88 5.244 11.843 -10.463 1.00 11.54 H new ATOM 1433 N ALA A 89 9.862 9.844 -4.531 1.00 70.54 N ATOM 1434 CA ALA A 89 10.215 10.897 -3.553 1.00 14.00 C ATOM 1435 C ALA A 89 9.566 12.245 -3.976 1.00 12.41 C ATOM 1436 O ALA A 89 9.907 12.772 -5.046 1.00 32.50 O ATOM 1437 CB ALA A 89 11.745 11.024 -3.421 1.00 14.23 C ATOM 0 H ALA A 89 10.147 10.065 -5.485 1.00 70.54 H new ATOM 0 HA ALA A 89 9.825 10.622 -2.573 1.00 14.00 H new ATOM 0 HB1 ALA A 89 11.984 11.803 -2.697 1.00 14.23 H new ATOM 0 HB2 ALA A 89 12.161 10.075 -3.083 1.00 14.23 H new ATOM 0 HB3 ALA A 89 12.173 11.284 -4.389 1.00 14.23 H new ATOM 1443 N PRO A 90 8.614 12.825 -3.171 1.00 31.21 N ATOM 1444 CA PRO A 90 7.966 14.117 -3.508 1.00 75.14 C ATOM 1445 C PRO A 90 8.899 15.321 -3.232 1.00 50.33 C ATOM 1446 O PRO A 90 8.963 15.861 -2.121 1.00 14.55 O ATOM 1447 CB PRO A 90 6.722 14.127 -2.601 1.00 22.12 C ATOM 1448 CG PRO A 90 7.168 13.382 -1.382 1.00 4.42 C ATOM 1449 CD PRO A 90 8.098 12.284 -1.885 1.00 15.30 C ATOM 0 HA PRO A 90 7.720 14.209 -4.566 1.00 75.14 H new ATOM 0 HB2 PRO A 90 6.411 15.143 -2.358 1.00 22.12 H new ATOM 0 HB3 PRO A 90 5.873 13.640 -3.080 1.00 22.12 H new ATOM 0 HG2 PRO A 90 7.684 14.044 -0.686 1.00 4.42 H new ATOM 0 HG3 PRO A 90 6.317 12.960 -0.848 1.00 4.42 H new ATOM 0 HD2 PRO A 90 8.906 12.088 -1.180 1.00 15.30 H new ATOM 0 HD3 PRO A 90 7.566 11.344 -2.030 1.00 15.30 H new ATOM 1457 N TYR A 91 9.643 15.701 -4.265 1.00 42.35 N ATOM 1458 CA TYR A 91 10.647 16.793 -4.198 1.00 73.11 C ATOM 1459 C TYR A 91 9.975 18.185 -4.238 1.00 53.31 C ATOM 1460 O TYR A 91 10.582 19.192 -3.857 1.00 24.11 O ATOM 1461 CB TYR A 91 11.666 16.648 -5.366 1.00 43.43 C ATOM 1462 CG TYR A 91 11.035 16.684 -6.772 1.00 33.05 C ATOM 1463 CD1 TYR A 91 10.569 15.517 -7.386 1.00 53.04 C ATOM 1464 CD2 TYR A 91 10.890 17.886 -7.472 1.00 54.50 C ATOM 1465 CE1 TYR A 91 9.990 15.548 -8.638 1.00 70.41 C ATOM 1466 CE2 TYR A 91 10.311 17.924 -8.723 1.00 4.33 C ATOM 1467 CZ TYR A 91 9.860 16.755 -9.305 1.00 42.02 C ATOM 1468 OH TYR A 91 9.287 16.797 -10.562 1.00 74.21 O ATOM 0 H TYR A 91 9.577 15.266 -5.185 1.00 42.35 H new ATOM 0 HA TYR A 91 11.175 16.710 -3.248 1.00 73.11 H new ATOM 0 HB2 TYR A 91 12.402 17.449 -5.291 1.00 43.43 H new ATOM 0 HB3 TYR A 91 12.205 15.708 -5.247 1.00 43.43 H new ATOM 0 HD1 TYR A 91 10.664 14.573 -6.870 1.00 53.04 H new ATOM 0 HD2 TYR A 91 11.239 18.804 -7.023 1.00 54.50 H new ATOM 0 HE1 TYR A 91 9.640 14.635 -9.096 1.00 70.41 H new ATOM 0 HE2 TYR A 91 10.211 18.864 -9.246 1.00 4.33 H new ATOM 0 HH TYR A 91 9.273 17.722 -10.884 1.00 74.21 H new ATOM 1478 N ASP A 92 8.716 18.220 -4.705 1.00 44.34 N ATOM 1479 CA ASP A 92 7.978 19.463 -4.981 1.00 11.34 C ATOM 1480 C ASP A 92 6.705 19.558 -4.117 1.00 54.33 C ATOM 1481 O ASP A 92 6.117 18.539 -3.723 1.00 42.13 O ATOM 1482 CB ASP A 92 7.618 19.526 -6.489 1.00 22.14 C ATOM 1483 CG ASP A 92 6.739 18.348 -6.944 1.00 50.21 C ATOM 1484 OD1 ASP A 92 7.242 17.205 -7.006 1.00 5.12 O ATOM 1485 OD2 ASP A 92 5.542 18.561 -7.235 1.00 32.33 O ATOM 0 H ASP A 92 8.177 17.377 -4.903 1.00 44.34 H new ATOM 0 HA ASP A 92 8.613 20.311 -4.725 1.00 11.34 H new ATOM 0 HB2 ASP A 92 7.098 20.462 -6.694 1.00 22.14 H new ATOM 0 HB3 ASP A 92 8.536 19.536 -7.077 1.00 22.14 H new ATOM 1490 N GLN A 93 6.290 20.803 -3.860 1.00 33.41 N ATOM 1491 CA GLN A 93 5.093 21.129 -3.052 1.00 25.31 C ATOM 1492 C GLN A 93 3.774 20.667 -3.713 1.00 74.22 C ATOM 1493 O GLN A 93 2.816 20.375 -3.007 1.00 32.10 O ATOM 1494 CB GLN A 93 5.044 22.660 -2.769 1.00 23.21 C ATOM 1495 CG GLN A 93 6.167 23.185 -1.853 1.00 70.20 C ATOM 1496 CD GLN A 93 6.121 22.577 -0.452 1.00 53.02 C ATOM 1497 OE1 GLN A 93 6.750 21.563 -0.176 1.00 43.33 O ATOM 1498 NE2 GLN A 93 5.345 23.170 0.437 1.00 41.55 N ATOM 0 H GLN A 93 6.777 21.629 -4.208 1.00 33.41 H new ATOM 0 HA GLN A 93 5.183 20.580 -2.115 1.00 25.31 H new ATOM 0 HB2 GLN A 93 5.091 23.192 -3.719 1.00 23.21 H new ATOM 0 HB3 GLN A 93 4.082 22.901 -2.316 1.00 23.21 H new ATOM 0 HG2 GLN A 93 7.133 22.966 -2.308 1.00 70.20 H new ATOM 0 HG3 GLN A 93 6.090 24.270 -1.776 1.00 70.20 H new ATOM 0 HE21 GLN A 93 4.831 24.014 0.183 1.00 41.55 H new ATOM 0 HE22 GLN A 93 5.260 22.784 1.377 1.00 41.55 H new ATOM 1507 N ALA A 94 3.731 20.605 -5.057 1.00 32.42 N ATOM 1508 CA ALA A 94 2.515 20.192 -5.802 1.00 13.12 C ATOM 1509 C ALA A 94 2.149 18.704 -5.558 1.00 75.14 C ATOM 1510 O ALA A 94 0.969 18.371 -5.387 1.00 5.15 O ATOM 1511 CB ALA A 94 2.698 20.477 -7.304 1.00 2.11 C ATOM 0 H ALA A 94 4.524 20.835 -5.655 1.00 32.42 H new ATOM 0 HA ALA A 94 1.679 20.782 -5.425 1.00 13.12 H new ATOM 0 HB1 ALA A 94 1.802 20.171 -7.844 1.00 2.11 H new ATOM 0 HB2 ALA A 94 2.866 21.543 -7.454 1.00 2.11 H new ATOM 0 HB3 ALA A 94 3.556 19.918 -7.679 1.00 2.11 H new ATOM 1517 N GLU A 95 3.168 17.820 -5.532 1.00 24.34 N ATOM 1518 CA GLU A 95 2.964 16.361 -5.336 1.00 51.31 C ATOM 1519 C GLU A 95 2.584 16.042 -3.865 1.00 51.35 C ATOM 1520 O GLU A 95 1.711 15.197 -3.602 1.00 25.12 O ATOM 1521 CB GLU A 95 4.232 15.565 -5.767 1.00 51.33 C ATOM 1522 CG GLU A 95 4.024 14.034 -5.845 1.00 12.43 C ATOM 1523 CD GLU A 95 5.225 13.255 -6.415 1.00 54.21 C ATOM 1524 OE1 GLU A 95 5.632 13.547 -7.556 1.00 3.41 O ATOM 1525 OE2 GLU A 95 5.752 12.336 -5.743 1.00 63.24 O ATOM 0 H GLU A 95 4.146 18.088 -5.644 1.00 24.34 H new ATOM 0 HA GLU A 95 2.134 16.049 -5.970 1.00 51.31 H new ATOM 0 HB2 GLU A 95 4.560 15.926 -6.742 1.00 51.33 H new ATOM 0 HB3 GLU A 95 5.036 15.776 -5.062 1.00 51.33 H new ATOM 0 HG2 GLU A 95 3.805 13.658 -4.846 1.00 12.43 H new ATOM 0 HG3 GLU A 95 3.149 13.830 -6.462 1.00 12.43 H new ATOM 1532 N VAL A 96 3.247 16.740 -2.917 1.00 10.34 N ATOM 1533 CA VAL A 96 2.927 16.650 -1.474 1.00 32.41 C ATOM 1534 C VAL A 96 1.479 17.131 -1.192 1.00 52.35 C ATOM 1535 O VAL A 96 0.682 16.406 -0.593 1.00 61.54 O ATOM 1536 CB VAL A 96 3.942 17.486 -0.599 1.00 22.40 C ATOM 1537 CG1 VAL A 96 3.603 17.396 0.914 1.00 60.24 C ATOM 1538 CG2 VAL A 96 5.404 17.048 -0.870 1.00 55.53 C ATOM 0 H VAL A 96 4.014 17.378 -3.128 1.00 10.34 H new ATOM 0 HA VAL A 96 3.014 15.600 -1.195 1.00 32.41 H new ATOM 0 HB VAL A 96 3.843 18.531 -0.894 1.00 22.40 H new ATOM 0 HG11 VAL A 96 4.323 17.984 1.484 1.00 60.24 H new ATOM 0 HG12 VAL A 96 2.600 17.786 1.086 1.00 60.24 H new ATOM 0 HG13 VAL A 96 3.648 16.356 1.236 1.00 60.24 H new ATOM 0 HG21 VAL A 96 6.081 17.640 -0.254 1.00 55.53 H new ATOM 0 HG22 VAL A 96 5.519 15.992 -0.624 1.00 55.53 H new ATOM 0 HG23 VAL A 96 5.641 17.203 -1.922 1.00 55.53 H new ATOM 1548 N ALA A 97 1.164 18.349 -1.673 1.00 31.54 N ATOM 1549 CA ALA A 97 -0.159 19.004 -1.497 1.00 72.35 C ATOM 1550 C ALA A 97 -1.322 18.176 -2.088 1.00 64.14 C ATOM 1551 O ALA A 97 -2.445 18.253 -1.585 1.00 71.53 O ATOM 1552 CB ALA A 97 -0.154 20.416 -2.110 1.00 60.14 C ATOM 0 H ALA A 97 1.825 18.918 -2.202 1.00 31.54 H new ATOM 0 HA ALA A 97 -0.327 19.075 -0.422 1.00 72.35 H new ATOM 0 HB1 ALA A 97 -1.132 20.877 -1.970 1.00 60.14 H new ATOM 0 HB2 ALA A 97 0.607 21.023 -1.619 1.00 60.14 H new ATOM 0 HB3 ALA A 97 0.066 20.349 -3.175 1.00 60.14 H new ATOM 1558 N ALA A 98 -1.050 17.408 -3.164 1.00 64.31 N ATOM 1559 CA ALA A 98 -2.061 16.525 -3.791 1.00 31.03 C ATOM 1560 C ALA A 98 -2.584 15.451 -2.798 1.00 4.22 C ATOM 1561 O ALA A 98 -3.791 15.337 -2.580 1.00 74.11 O ATOM 1562 CB ALA A 98 -1.466 15.858 -5.046 1.00 0.43 C ATOM 0 H ALA A 98 -0.137 17.380 -3.619 1.00 64.31 H new ATOM 0 HA ALA A 98 -2.913 17.140 -4.080 1.00 31.03 H new ATOM 0 HB1 ALA A 98 -2.214 15.210 -5.503 1.00 0.43 H new ATOM 0 HB2 ALA A 98 -1.167 16.626 -5.759 1.00 0.43 H new ATOM 0 HB3 ALA A 98 -0.595 15.265 -4.765 1.00 0.43 H new ATOM 1568 N HIS A 99 -1.657 14.710 -2.160 1.00 74.45 N ATOM 1569 CA HIS A 99 -2.006 13.677 -1.149 1.00 61.03 C ATOM 1570 C HIS A 99 -2.388 14.277 0.223 1.00 64.10 C ATOM 1571 O HIS A 99 -3.160 13.676 0.961 1.00 53.11 O ATOM 1572 CB HIS A 99 -0.867 12.627 -1.017 1.00 54.23 C ATOM 1573 CG HIS A 99 -0.948 11.545 -2.064 1.00 23.53 C ATOM 1574 ND1 HIS A 99 -1.267 10.236 -1.769 1.00 70.21 N ATOM 1575 CD2 HIS A 99 -0.781 11.588 -3.402 1.00 53.42 C ATOM 1576 CE1 HIS A 99 -1.289 9.527 -2.872 1.00 23.52 C ATOM 1577 NE2 HIS A 99 -1.002 10.320 -3.883 1.00 11.50 N ATOM 0 H HIS A 99 -0.655 14.804 -2.324 1.00 74.45 H new ATOM 0 HA HIS A 99 -2.900 13.171 -1.513 1.00 61.03 H new ATOM 0 HB2 HIS A 99 0.097 13.131 -1.095 1.00 54.23 H new ATOM 0 HB3 HIS A 99 -0.910 12.173 -0.027 1.00 54.23 H new ATOM 0 HD1 HIS A 99 -1.457 9.874 -0.834 1.00 70.21 H new ATOM 0 HD2 HIS A 99 -0.522 12.458 -3.987 1.00 53.42 H new ATOM 0 HE1 HIS A 99 -1.506 8.471 -2.940 1.00 23.52 H new ATOM 1586 N ALA A 100 -1.827 15.441 0.566 1.00 42.35 N ATOM 1587 CA ALA A 100 -2.216 16.189 1.781 1.00 75.12 C ATOM 1588 C ALA A 100 -3.700 16.632 1.723 1.00 24.51 C ATOM 1589 O ALA A 100 -4.439 16.513 2.706 1.00 53.35 O ATOM 1590 CB ALA A 100 -1.286 17.395 1.976 1.00 64.35 C ATOM 0 H ALA A 100 -1.095 15.894 0.019 1.00 42.35 H new ATOM 0 HA ALA A 100 -2.112 15.526 2.640 1.00 75.12 H new ATOM 0 HB1 ALA A 100 -1.580 17.940 2.873 1.00 64.35 H new ATOM 0 HB2 ALA A 100 -0.258 17.048 2.083 1.00 64.35 H new ATOM 0 HB3 ALA A 100 -1.359 18.054 1.111 1.00 64.35 H new ATOM 1596 N ALA A 101 -4.122 17.106 0.535 1.00 1.10 N ATOM 1597 CA ALA A 101 -5.514 17.538 0.279 1.00 42.04 C ATOM 1598 C ALA A 101 -6.490 16.343 0.238 1.00 25.42 C ATOM 1599 O ALA A 101 -7.610 16.435 0.741 1.00 5.33 O ATOM 1600 CB ALA A 101 -5.601 18.344 -1.028 1.00 61.41 C ATOM 0 H ALA A 101 -3.510 17.201 -0.275 1.00 1.10 H new ATOM 0 HA ALA A 101 -5.811 18.178 1.110 1.00 42.04 H new ATOM 0 HB1 ALA A 101 -6.633 18.652 -1.198 1.00 61.41 H new ATOM 0 HB2 ALA A 101 -4.966 19.227 -0.954 1.00 61.41 H new ATOM 0 HB3 ALA A 101 -5.266 17.725 -1.860 1.00 61.41 H new ATOM 1606 N THR A 102 -6.055 15.225 -0.368 1.00 34.30 N ATOM 1607 CA THR A 102 -6.884 14.000 -0.468 1.00 2.32 C ATOM 1608 C THR A 102 -7.070 13.337 0.920 1.00 54.43 C ATOM 1609 O THR A 102 -8.176 12.941 1.276 1.00 41.42 O ATOM 1610 CB THR A 102 -6.292 12.974 -1.487 1.00 34.12 C ATOM 1611 OG1 THR A 102 -6.118 13.614 -2.761 1.00 12.11 O ATOM 1612 CG2 THR A 102 -7.194 11.740 -1.678 1.00 42.23 C ATOM 0 H THR A 102 -5.134 15.139 -0.798 1.00 34.30 H new ATOM 0 HA THR A 102 -7.861 14.308 -0.840 1.00 2.32 H new ATOM 0 HB THR A 102 -5.339 12.634 -1.082 1.00 34.12 H new ATOM 0 HG1 THR A 102 -5.337 14.205 -2.726 1.00 12.11 H new ATOM 0 HG21 THR A 102 -6.734 11.061 -2.396 1.00 42.23 H new ATOM 0 HG22 THR A 102 -7.318 11.229 -0.723 1.00 42.23 H new ATOM 0 HG23 THR A 102 -8.169 12.056 -2.050 1.00 42.23 H new ATOM 1620 N TYR A 103 -5.985 13.248 1.707 1.00 63.12 N ATOM 1621 CA TYR A 103 -6.042 12.744 3.097 1.00 40.23 C ATOM 1622 C TYR A 103 -7.000 13.576 4.001 1.00 52.33 C ATOM 1623 O TYR A 103 -7.889 13.016 4.646 1.00 14.05 O ATOM 1624 CB TYR A 103 -4.616 12.703 3.715 1.00 33.21 C ATOM 1625 CG TYR A 103 -4.603 12.351 5.214 1.00 10.20 C ATOM 1626 CD1 TYR A 103 -4.879 11.059 5.651 1.00 72.34 C ATOM 1627 CD2 TYR A 103 -4.353 13.321 6.188 1.00 74.02 C ATOM 1628 CE1 TYR A 103 -4.908 10.750 6.997 1.00 42.33 C ATOM 1629 CE2 TYR A 103 -4.375 13.010 7.529 1.00 71.01 C ATOM 1630 CZ TYR A 103 -4.657 11.723 7.930 1.00 51.40 C ATOM 1631 OH TYR A 103 -4.701 11.411 9.271 1.00 60.02 O ATOM 0 H TYR A 103 -5.049 13.520 1.405 1.00 63.12 H new ATOM 0 HA TYR A 103 -6.448 11.733 3.051 1.00 40.23 H new ATOM 0 HB2 TYR A 103 -4.015 11.972 3.174 1.00 33.21 H new ATOM 0 HB3 TYR A 103 -4.140 13.673 3.574 1.00 33.21 H new ATOM 0 HD1 TYR A 103 -5.074 10.284 4.925 1.00 72.34 H new ATOM 0 HD2 TYR A 103 -4.138 14.335 5.883 1.00 74.02 H new ATOM 0 HE1 TYR A 103 -5.128 9.742 7.315 1.00 42.33 H new ATOM 0 HE2 TYR A 103 -4.172 13.774 8.265 1.00 71.01 H new ATOM 0 HH TYR A 103 -4.074 11.983 9.761 1.00 60.02 H new ATOM 1641 N HIS A 104 -6.798 14.904 4.070 1.00 14.32 N ATOM 1642 CA HIS A 104 -7.572 15.769 4.997 1.00 51.22 C ATOM 1643 C HIS A 104 -9.033 16.003 4.513 1.00 23.42 C ATOM 1644 O HIS A 104 -9.975 15.882 5.301 1.00 43.15 O ATOM 1645 CB HIS A 104 -6.851 17.124 5.230 1.00 32.25 C ATOM 1646 CG HIS A 104 -5.554 17.032 6.005 1.00 61.34 C ATOM 1647 ND1 HIS A 104 -5.485 16.547 7.297 1.00 12.10 N ATOM 1648 CD2 HIS A 104 -4.281 17.386 5.681 1.00 53.24 C ATOM 1649 CE1 HIS A 104 -4.239 16.607 7.730 1.00 3.44 C ATOM 1650 NE2 HIS A 104 -3.493 17.111 6.773 1.00 62.21 N ATOM 0 H HIS A 104 -6.113 15.404 3.503 1.00 14.32 H new ATOM 0 HA HIS A 104 -7.629 15.236 5.946 1.00 51.22 H new ATOM 0 HB2 HIS A 104 -6.647 17.581 4.262 1.00 32.25 H new ATOM 0 HB3 HIS A 104 -7.528 17.792 5.762 1.00 32.25 H new ATOM 0 HD2 HIS A 104 -3.951 17.805 4.742 1.00 53.24 H new ATOM 0 HE1 HIS A 104 -3.892 16.295 8.704 1.00 3.44 H new ATOM 0 HE2 HIS A 104 -2.488 17.273 6.831 1.00 62.21 H new ATOM 1659 N SER A 105 -9.211 16.338 3.221 1.00 21.42 N ATOM 1660 CA SER A 105 -10.551 16.696 2.667 1.00 43.43 C ATOM 1661 C SER A 105 -11.378 15.466 2.201 1.00 11.45 C ATOM 1662 O SER A 105 -12.594 15.439 2.390 1.00 0.32 O ATOM 1663 CB SER A 105 -10.393 17.694 1.495 1.00 73.23 C ATOM 1664 OG SER A 105 -11.643 18.035 0.908 1.00 52.21 O ATOM 0 H SER A 105 -8.455 16.371 2.537 1.00 21.42 H new ATOM 0 HA SER A 105 -11.107 17.156 3.484 1.00 43.43 H new ATOM 0 HB2 SER A 105 -9.903 18.599 1.854 1.00 73.23 H new ATOM 0 HB3 SER A 105 -9.743 17.260 0.735 1.00 73.23 H new ATOM 0 HG SER A 105 -11.498 18.668 0.174 1.00 52.21 H new ATOM 1670 N HIS A 106 -10.726 14.450 1.589 1.00 22.21 N ATOM 1671 CA HIS A 106 -11.445 13.243 1.054 1.00 54.00 C ATOM 1672 C HIS A 106 -11.379 12.040 2.034 1.00 35.32 C ATOM 1673 O HIS A 106 -12.170 11.098 1.923 1.00 31.32 O ATOM 1674 CB HIS A 106 -10.846 12.811 -0.321 1.00 61.20 C ATOM 1675 CG HIS A 106 -10.795 13.869 -1.401 1.00 55.31 C ATOM 1676 ND1 HIS A 106 -11.071 13.597 -2.723 1.00 1.35 N ATOM 1677 CD2 HIS A 106 -10.420 15.173 -1.371 1.00 42.34 C ATOM 1678 CE1 HIS A 106 -10.869 14.675 -3.451 1.00 62.33 C ATOM 1679 NE2 HIS A 106 -10.475 15.642 -2.655 1.00 71.42 N ATOM 0 H HIS A 106 -9.716 14.430 1.449 1.00 22.21 H new ATOM 0 HA HIS A 106 -12.489 13.530 0.932 1.00 54.00 H new ATOM 0 HB2 HIS A 106 -9.832 12.448 -0.152 1.00 61.20 H new ATOM 0 HB3 HIS A 106 -11.428 11.969 -0.696 1.00 61.20 H new ATOM 0 HD2 HIS A 106 -10.132 15.736 -0.496 1.00 42.34 H new ATOM 0 HE1 HIS A 106 -11.004 14.751 -4.520 1.00 62.33 H new ATOM 0 HE2 HIS A 106 -10.246 16.592 -2.947 1.00 71.42 H new ATOM 1688 N GLY A 107 -10.444 12.105 2.999 1.00 34.22 N ATOM 1689 CA GLY A 107 -10.218 11.016 3.969 1.00 55.34 C ATOM 1690 C GLY A 107 -9.024 10.101 3.629 1.00 2.21 C ATOM 1691 O GLY A 107 -8.537 10.086 2.492 1.00 25.14 O ATOM 0 H GLY A 107 -9.828 12.907 3.129 1.00 34.22 H new ATOM 0 HA2 GLY A 107 -10.058 11.451 4.955 1.00 55.34 H new ATOM 0 HA3 GLY A 107 -11.120 10.408 4.032 1.00 55.34 H new ATOM 1695 N TYR A 108 -8.575 9.324 4.640 1.00 44.21 N ATOM 1696 CA TYR A 108 -7.413 8.397 4.535 1.00 41.02 C ATOM 1697 C TYR A 108 -7.655 7.260 3.517 1.00 3.25 C ATOM 1698 O TYR A 108 -6.750 6.884 2.756 1.00 64.53 O ATOM 1699 CB TYR A 108 -7.114 7.791 5.929 1.00 65.44 C ATOM 1700 CG TYR A 108 -5.846 6.914 5.997 1.00 21.22 C ATOM 1701 CD1 TYR A 108 -4.583 7.492 5.886 1.00 50.12 C ATOM 1702 CD2 TYR A 108 -5.906 5.527 6.188 1.00 65.54 C ATOM 1703 CE1 TYR A 108 -3.438 6.742 5.961 1.00 3.31 C ATOM 1704 CE2 TYR A 108 -4.750 4.768 6.271 1.00 45.24 C ATOM 1705 CZ TYR A 108 -3.518 5.389 6.155 1.00 12.40 C ATOM 1706 OH TYR A 108 -2.358 4.660 6.265 1.00 52.43 O ATOM 0 H TYR A 108 -9.009 9.319 5.563 1.00 44.21 H new ATOM 0 HA TYR A 108 -6.561 8.976 4.178 1.00 41.02 H new ATOM 0 HB2 TYR A 108 -7.015 8.604 6.649 1.00 65.44 H new ATOM 0 HB3 TYR A 108 -7.970 7.192 6.240 1.00 65.44 H new ATOM 0 HD1 TYR A 108 -4.504 8.559 5.737 1.00 50.12 H new ATOM 0 HD2 TYR A 108 -6.868 5.043 6.272 1.00 65.54 H new ATOM 0 HE1 TYR A 108 -2.473 7.218 5.867 1.00 3.31 H new ATOM 0 HE2 TYR A 108 -4.809 3.701 6.425 1.00 45.24 H new ATOM 0 HH TYR A 108 -2.416 3.865 5.695 1.00 52.43 H new ATOM 1716 N ASP A 109 -8.883 6.709 3.543 1.00 75.13 N ATOM 1717 CA ASP A 109 -9.306 5.610 2.653 1.00 42.44 C ATOM 1718 C ASP A 109 -9.160 6.011 1.168 1.00 4.43 C ATOM 1719 O ASP A 109 -8.532 5.301 0.379 1.00 45.43 O ATOM 1720 CB ASP A 109 -10.763 5.188 2.989 1.00 72.41 C ATOM 1721 CG ASP A 109 -11.268 3.992 2.161 1.00 54.35 C ATOM 1722 OD1 ASP A 109 -10.823 2.856 2.413 1.00 1.14 O ATOM 1723 OD2 ASP A 109 -12.107 4.179 1.250 1.00 41.55 O ATOM 0 H ASP A 109 -9.614 7.015 4.185 1.00 75.13 H new ATOM 0 HA ASP A 109 -8.654 4.752 2.819 1.00 42.44 H new ATOM 0 HB2 ASP A 109 -10.824 4.937 4.048 1.00 72.41 H new ATOM 0 HB3 ASP A 109 -11.425 6.038 2.824 1.00 72.41 H new ATOM 1728 N ALA A 110 -9.701 7.193 0.838 1.00 12.12 N ATOM 1729 CA ALA A 110 -9.650 7.772 -0.519 1.00 15.11 C ATOM 1730 C ALA A 110 -8.202 8.023 -1.022 1.00 21.41 C ATOM 1731 O ALA A 110 -7.932 7.889 -2.218 1.00 25.11 O ATOM 1732 CB ALA A 110 -10.448 9.079 -0.537 1.00 61.30 C ATOM 0 H ALA A 110 -10.192 7.782 1.510 1.00 12.12 H new ATOM 0 HA ALA A 110 -10.090 7.044 -1.201 1.00 15.11 H new ATOM 0 HB1 ALA A 110 -10.414 9.512 -1.537 1.00 61.30 H new ATOM 0 HB2 ALA A 110 -11.484 8.877 -0.264 1.00 61.30 H new ATOM 0 HB3 ALA A 110 -10.015 9.780 0.177 1.00 61.30 H new ATOM 1738 N ASP A 111 -7.287 8.381 -0.094 1.00 61.42 N ATOM 1739 CA ASP A 111 -5.863 8.666 -0.421 1.00 0.05 C ATOM 1740 C ASP A 111 -5.140 7.406 -0.958 1.00 40.35 C ATOM 1741 O ASP A 111 -4.407 7.460 -1.958 1.00 11.45 O ATOM 1742 CB ASP A 111 -5.126 9.227 0.830 1.00 65.32 C ATOM 1743 CG ASP A 111 -3.728 9.781 0.495 1.00 75.40 C ATOM 1744 OD1 ASP A 111 -3.657 10.900 -0.055 1.00 45.44 O ATOM 1745 OD2 ASP A 111 -2.702 9.093 0.737 1.00 3.14 O ATOM 0 H ASP A 111 -7.508 8.481 0.897 1.00 61.42 H new ATOM 0 HA ASP A 111 -5.844 9.418 -1.210 1.00 0.05 H new ATOM 0 HB2 ASP A 111 -5.728 10.017 1.278 1.00 65.32 H new ATOM 0 HB3 ASP A 111 -5.031 8.438 1.576 1.00 65.32 H new ATOM 1750 N ILE A 112 -5.376 6.272 -0.279 1.00 64.04 N ATOM 1751 CA ILE A 112 -4.805 4.961 -0.657 1.00 33.12 C ATOM 1752 C ILE A 112 -5.485 4.403 -1.938 1.00 31.11 C ATOM 1753 O ILE A 112 -4.819 3.800 -2.794 1.00 34.51 O ATOM 1754 CB ILE A 112 -4.930 3.936 0.530 1.00 11.41 C ATOM 1755 CG1 ILE A 112 -4.265 4.505 1.834 1.00 11.15 C ATOM 1756 CG2 ILE A 112 -4.352 2.541 0.161 1.00 23.11 C ATOM 1757 CD1 ILE A 112 -2.783 4.844 1.722 1.00 72.13 C ATOM 0 H ILE A 112 -5.969 6.234 0.550 1.00 64.04 H new ATOM 0 HA ILE A 112 -3.747 5.107 -0.875 1.00 33.12 H new ATOM 0 HB ILE A 112 -5.993 3.795 0.726 1.00 11.41 H new ATOM 0 HG12 ILE A 112 -4.804 5.404 2.133 1.00 11.15 H new ATOM 0 HG13 ILE A 112 -4.393 3.776 2.634 1.00 11.15 H new ATOM 0 HG21 ILE A 112 -4.460 1.866 1.010 1.00 23.11 H new ATOM 0 HG22 ILE A 112 -4.894 2.137 -0.694 1.00 23.11 H new ATOM 0 HG23 ILE A 112 -3.296 2.640 -0.092 1.00 23.11 H new ATOM 0 HD11 ILE A 112 -2.424 5.228 2.677 1.00 72.13 H new ATOM 0 HD12 ILE A 112 -2.223 3.946 1.459 1.00 72.13 H new ATOM 0 HD13 ILE A 112 -2.640 5.600 0.950 1.00 72.13 H new ATOM 1769 N ASN A 113 -6.812 4.636 -2.077 1.00 45.10 N ATOM 1770 CA ASN A 113 -7.584 4.239 -3.286 1.00 32.44 C ATOM 1771 C ASN A 113 -7.067 4.964 -4.547 1.00 73.33 C ATOM 1772 O ASN A 113 -7.037 4.378 -5.628 1.00 71.43 O ATOM 1773 CB ASN A 113 -9.097 4.526 -3.104 1.00 12.00 C ATOM 1774 CG ASN A 113 -9.738 3.712 -1.983 1.00 54.55 C ATOM 1775 OD1 ASN A 113 -9.302 2.614 -1.664 1.00 24.24 O ATOM 1776 ND2 ASN A 113 -10.781 4.241 -1.383 1.00 3.14 N ATOM 0 H ASN A 113 -7.375 5.099 -1.364 1.00 45.10 H new ATOM 0 HA ASN A 113 -7.442 3.166 -3.417 1.00 32.44 H new ATOM 0 HB2 ASN A 113 -9.236 5.587 -2.897 1.00 12.00 H new ATOM 0 HB3 ASN A 113 -9.615 4.313 -4.039 1.00 12.00 H new ATOM 0 HD21 ASN A 113 -11.248 3.734 -0.631 1.00 3.14 H new ATOM 0 HD22 ASN A 113 -11.123 5.158 -1.669 1.00 3.14 H new ATOM 1783 N SER A 114 -6.643 6.239 -4.383 1.00 70.35 N ATOM 1784 CA SER A 114 -6.026 7.042 -5.474 1.00 41.33 C ATOM 1785 C SER A 114 -4.748 6.364 -6.036 1.00 2.22 C ATOM 1786 O SER A 114 -4.473 6.427 -7.234 1.00 72.23 O ATOM 1787 CB SER A 114 -5.681 8.469 -4.971 1.00 40.32 C ATOM 1788 OG SER A 114 -6.846 9.198 -4.604 1.00 33.52 O ATOM 0 H SER A 114 -6.717 6.741 -3.498 1.00 70.35 H new ATOM 0 HA SER A 114 -6.758 7.108 -6.279 1.00 41.33 H new ATOM 0 HB2 SER A 114 -5.011 8.400 -4.114 1.00 40.32 H new ATOM 0 HB3 SER A 114 -5.145 9.009 -5.751 1.00 40.32 H new ATOM 0 HG SER A 114 -7.247 8.793 -3.807 1.00 33.52 H new ATOM 1794 N TYR A 115 -3.981 5.705 -5.153 1.00 14.41 N ATOM 1795 CA TYR A 115 -2.760 4.978 -5.533 1.00 73.24 C ATOM 1796 C TYR A 115 -3.098 3.617 -6.225 1.00 35.41 C ATOM 1797 O TYR A 115 -2.487 3.272 -7.238 1.00 72.33 O ATOM 1798 CB TYR A 115 -1.885 4.812 -4.237 1.00 43.04 C ATOM 1799 CG TYR A 115 -1.132 3.482 -4.096 1.00 11.40 C ATOM 1800 CD1 TYR A 115 -0.085 3.155 -4.951 1.00 10.01 C ATOM 1801 CD2 TYR A 115 -1.479 2.554 -3.106 1.00 33.30 C ATOM 1802 CE1 TYR A 115 0.582 1.965 -4.825 1.00 22.23 C ATOM 1803 CE2 TYR A 115 -0.803 1.361 -2.979 1.00 12.04 C ATOM 1804 CZ TYR A 115 0.225 1.070 -3.840 1.00 72.21 C ATOM 1805 OH TYR A 115 0.916 -0.116 -3.712 1.00 74.42 O ATOM 0 H TYR A 115 -4.190 5.661 -4.156 1.00 14.41 H new ATOM 0 HA TYR A 115 -2.191 5.537 -6.276 1.00 73.24 H new ATOM 0 HB2 TYR A 115 -1.157 5.623 -4.208 1.00 43.04 H new ATOM 0 HB3 TYR A 115 -2.532 4.934 -3.368 1.00 43.04 H new ATOM 0 HD1 TYR A 115 0.206 3.849 -5.725 1.00 10.01 H new ATOM 0 HD2 TYR A 115 -2.291 2.778 -2.430 1.00 33.30 H new ATOM 0 HE1 TYR A 115 1.391 1.727 -5.500 1.00 22.23 H new ATOM 0 HE2 TYR A 115 -1.080 0.659 -2.207 1.00 12.04 H new ATOM 0 HH TYR A 115 0.666 -0.720 -4.442 1.00 74.42 H new ATOM 1815 N ILE A 116 -4.099 2.890 -5.695 1.00 51.33 N ATOM 1816 CA ILE A 116 -4.484 1.529 -6.184 1.00 74.12 C ATOM 1817 C ILE A 116 -5.204 1.585 -7.552 1.00 13.43 C ATOM 1818 O ILE A 116 -5.022 0.707 -8.407 1.00 60.51 O ATOM 1819 CB ILE A 116 -5.387 0.802 -5.115 1.00 23.35 C ATOM 1820 CG1 ILE A 116 -4.581 0.586 -3.801 1.00 13.10 C ATOM 1821 CG2 ILE A 116 -5.977 -0.547 -5.630 1.00 51.44 C ATOM 1822 CD1 ILE A 116 -3.495 -0.483 -3.877 1.00 55.25 C ATOM 0 H ILE A 116 -4.670 3.218 -4.916 1.00 51.33 H new ATOM 0 HA ILE A 116 -3.566 0.959 -6.325 1.00 74.12 H new ATOM 0 HB ILE A 116 -6.240 1.452 -4.919 1.00 23.35 H new ATOM 0 HG12 ILE A 116 -4.119 1.532 -3.517 1.00 13.10 H new ATOM 0 HG13 ILE A 116 -5.277 0.319 -3.006 1.00 13.10 H new ATOM 0 HG21 ILE A 116 -6.589 -0.998 -4.849 1.00 51.44 H new ATOM 0 HG22 ILE A 116 -6.592 -0.363 -6.511 1.00 51.44 H new ATOM 0 HG23 ILE A 116 -5.163 -1.224 -5.890 1.00 51.44 H new ATOM 0 HD11 ILE A 116 -2.991 -0.559 -2.914 1.00 55.25 H new ATOM 0 HD12 ILE A 116 -3.946 -1.443 -4.127 1.00 55.25 H new ATOM 0 HD13 ILE A 116 -2.771 -0.212 -4.645 1.00 55.25 H new ATOM 1834 N ASP A 117 -5.976 2.658 -7.756 1.00 31.35 N ATOM 1835 CA ASP A 117 -6.824 2.841 -8.950 1.00 24.10 C ATOM 1836 C ASP A 117 -5.994 3.346 -10.167 1.00 64.41 C ATOM 1837 O ASP A 117 -6.501 3.400 -11.292 1.00 51.35 O ATOM 1838 CB ASP A 117 -7.971 3.831 -8.600 1.00 54.34 C ATOM 1839 CG ASP A 117 -9.189 3.721 -9.532 1.00 53.34 C ATOM 1840 OD1 ASP A 117 -10.064 2.868 -9.272 1.00 25.23 O ATOM 1841 OD2 ASP A 117 -9.280 4.483 -10.514 1.00 61.14 O ATOM 0 H ASP A 117 -6.034 3.433 -7.095 1.00 31.35 H new ATOM 0 HA ASP A 117 -7.249 1.880 -9.240 1.00 24.10 H new ATOM 0 HB2 ASP A 117 -8.293 3.652 -7.574 1.00 54.34 H new ATOM 0 HB3 ASP A 117 -7.585 4.849 -8.640 1.00 54.34 H new ATOM 1846 N SER A 118 -4.710 3.688 -9.935 1.00 54.22 N ATOM 1847 CA SER A 118 -3.800 4.182 -10.993 1.00 54.20 C ATOM 1848 C SER A 118 -3.402 3.048 -11.969 1.00 40.21 C ATOM 1849 O SER A 118 -2.931 1.988 -11.540 1.00 1.42 O ATOM 1850 CB SER A 118 -2.527 4.803 -10.363 1.00 44.20 C ATOM 1851 OG SER A 118 -1.601 5.233 -11.356 1.00 61.31 O ATOM 0 H SER A 118 -4.275 3.631 -9.014 1.00 54.22 H new ATOM 0 HA SER A 118 -4.333 4.947 -11.557 1.00 54.20 H new ATOM 0 HB2 SER A 118 -2.808 5.650 -9.737 1.00 44.20 H new ATOM 0 HB3 SER A 118 -2.049 4.070 -9.713 1.00 44.20 H new ATOM 0 HG SER A 118 -0.812 5.620 -10.922 1.00 61.31 H new ATOM 1857 N ALA A 119 -3.599 3.291 -13.279 1.00 41.04 N ATOM 1858 CA ALA A 119 -3.207 2.349 -14.353 1.00 2.03 C ATOM 1859 C ALA A 119 -1.666 2.253 -14.466 1.00 63.11 C ATOM 1860 O ALA A 119 -1.129 1.187 -14.760 1.00 14.31 O ATOM 1861 CB ALA A 119 -3.828 2.775 -15.692 1.00 42.50 C ATOM 0 H ALA A 119 -4.034 4.146 -13.626 1.00 41.04 H new ATOM 0 HA ALA A 119 -3.587 1.360 -14.098 1.00 2.03 H new ATOM 0 HB1 ALA A 119 -3.530 2.073 -16.471 1.00 42.50 H new ATOM 0 HB2 ALA A 119 -4.914 2.780 -15.604 1.00 42.50 H new ATOM 0 HB3 ALA A 119 -3.480 3.775 -15.953 1.00 42.50 H new ATOM 1867 N GLU A 120 -0.972 3.386 -14.199 1.00 61.54 N ATOM 1868 CA GLU A 120 0.513 3.450 -14.135 1.00 4.31 C ATOM 1869 C GLU A 120 1.057 2.426 -13.118 1.00 21.32 C ATOM 1870 O GLU A 120 1.989 1.665 -13.404 1.00 71.31 O ATOM 1871 CB GLU A 120 0.961 4.879 -13.709 1.00 65.33 C ATOM 1872 CG GLU A 120 2.489 5.068 -13.538 1.00 10.31 C ATOM 1873 CD GLU A 120 2.865 6.419 -12.898 1.00 41.33 C ATOM 1874 OE1 GLU A 120 2.857 6.517 -11.648 1.00 11.40 O ATOM 1875 OE2 GLU A 120 3.155 7.390 -13.632 1.00 22.42 O ATOM 0 H GLU A 120 -1.424 4.283 -14.022 1.00 61.54 H new ATOM 0 HA GLU A 120 0.910 3.216 -15.123 1.00 4.31 H new ATOM 0 HB2 GLU A 120 0.604 5.591 -14.453 1.00 65.33 H new ATOM 0 HB3 GLU A 120 0.472 5.130 -12.767 1.00 65.33 H new ATOM 0 HG2 GLU A 120 2.882 4.259 -12.922 1.00 10.31 H new ATOM 0 HG3 GLU A 120 2.970 4.989 -14.513 1.00 10.31 H new ATOM 1882 N TYR A 121 0.436 2.423 -11.936 1.00 54.13 N ATOM 1883 CA TYR A 121 0.785 1.516 -10.838 1.00 22.41 C ATOM 1884 C TYR A 121 0.450 0.038 -11.180 1.00 12.11 C ATOM 1885 O TYR A 121 1.321 -0.825 -11.097 1.00 20.15 O ATOM 1886 CB TYR A 121 0.055 1.978 -9.545 1.00 31.25 C ATOM 1887 CG TYR A 121 -0.081 0.901 -8.459 1.00 4.30 C ATOM 1888 CD1 TYR A 121 1.040 0.283 -7.898 1.00 50.54 C ATOM 1889 CD2 TYR A 121 -1.334 0.483 -8.021 1.00 14.42 C ATOM 1890 CE1 TYR A 121 0.906 -0.701 -6.947 1.00 5.35 C ATOM 1891 CE2 TYR A 121 -1.465 -0.489 -7.068 1.00 74.34 C ATOM 1892 CZ TYR A 121 -0.351 -1.084 -6.534 1.00 70.35 C ATOM 1893 OH TYR A 121 -0.493 -2.058 -5.568 1.00 1.42 O ATOM 0 H TYR A 121 -0.331 3.056 -11.711 1.00 54.13 H new ATOM 0 HA TYR A 121 1.862 1.558 -10.678 1.00 22.41 H new ATOM 0 HB2 TYR A 121 0.592 2.829 -9.127 1.00 31.25 H new ATOM 0 HB3 TYR A 121 -0.941 2.330 -9.814 1.00 31.25 H new ATOM 0 HD1 TYR A 121 2.027 0.583 -8.217 1.00 50.54 H new ATOM 0 HD2 TYR A 121 -2.220 0.935 -8.442 1.00 14.42 H new ATOM 0 HE1 TYR A 121 1.782 -1.171 -6.526 1.00 5.35 H new ATOM 0 HE2 TYR A 121 -2.448 -0.789 -6.735 1.00 74.34 H new ATOM 0 HH TYR A 121 -1.383 -1.991 -5.164 1.00 1.42 H new ATOM 1903 N THR A 122 -0.805 -0.234 -11.571 1.00 30.31 N ATOM 1904 CA THR A 122 -1.310 -1.623 -11.754 1.00 63.35 C ATOM 1905 C THR A 122 -0.591 -2.365 -12.916 1.00 2.34 C ATOM 1906 O THR A 122 -0.410 -3.581 -12.870 1.00 63.30 O ATOM 1907 CB THR A 122 -2.860 -1.638 -11.978 1.00 11.30 C ATOM 1908 OG1 THR A 122 -3.515 -0.925 -10.906 1.00 50.24 O ATOM 1909 CG2 THR A 122 -3.440 -3.068 -12.048 1.00 62.10 C ATOM 0 H THR A 122 -1.499 0.487 -11.770 1.00 30.31 H new ATOM 0 HA THR A 122 -1.084 -2.159 -10.832 1.00 63.35 H new ATOM 0 HB THR A 122 -3.044 -1.155 -12.938 1.00 11.30 H new ATOM 0 HG1 THR A 122 -3.407 0.040 -11.041 1.00 50.24 H new ATOM 0 HG21 THR A 122 -4.517 -3.016 -12.204 1.00 62.10 H new ATOM 0 HG22 THR A 122 -2.979 -3.608 -12.875 1.00 62.10 H new ATOM 0 HG23 THR A 122 -3.234 -3.591 -11.114 1.00 62.10 H new ATOM 1917 N GLU A 123 -0.198 -1.625 -13.966 1.00 70.04 N ATOM 1918 CA GLU A 123 0.588 -2.189 -15.093 1.00 13.02 C ATOM 1919 C GLU A 123 2.084 -2.423 -14.728 1.00 63.20 C ATOM 1920 O GLU A 123 2.646 -3.469 -15.067 1.00 14.05 O ATOM 1921 CB GLU A 123 0.461 -1.272 -16.339 1.00 35.02 C ATOM 1922 CG GLU A 123 -0.973 -1.176 -16.906 1.00 24.43 C ATOM 1923 CD GLU A 123 -1.083 -0.243 -18.126 1.00 12.23 C ATOM 1924 OE1 GLU A 123 -1.263 0.982 -17.944 1.00 21.31 O ATOM 1925 OE2 GLU A 123 -0.975 -0.727 -19.278 1.00 64.22 O ATOM 0 H GLU A 123 -0.409 -0.632 -14.064 1.00 70.04 H new ATOM 0 HA GLU A 123 0.170 -3.170 -15.321 1.00 13.02 H new ATOM 0 HB2 GLU A 123 0.805 -0.271 -16.077 1.00 35.02 H new ATOM 0 HB3 GLU A 123 1.125 -1.643 -17.120 1.00 35.02 H new ATOM 0 HG2 GLU A 123 -1.313 -2.173 -17.187 1.00 24.43 H new ATOM 0 HG3 GLU A 123 -1.643 -0.820 -16.123 1.00 24.43 H new ATOM 1932 N SER A 124 2.724 -1.464 -14.024 1.00 33.44 N ATOM 1933 CA SER A 124 4.193 -1.534 -13.733 1.00 12.22 C ATOM 1934 C SER A 124 4.526 -2.453 -12.525 1.00 15.11 C ATOM 1935 O SER A 124 5.578 -3.102 -12.497 1.00 50.33 O ATOM 1936 CB SER A 124 4.753 -0.114 -13.465 1.00 63.35 C ATOM 1937 OG SER A 124 6.149 -0.136 -13.176 1.00 63.42 O ATOM 0 H SER A 124 2.262 -0.637 -13.646 1.00 33.44 H new ATOM 0 HA SER A 124 4.664 -1.967 -14.615 1.00 12.22 H new ATOM 0 HB2 SER A 124 4.573 0.517 -14.335 1.00 63.35 H new ATOM 0 HB3 SER A 124 4.217 0.335 -12.629 1.00 63.35 H new ATOM 0 HG SER A 124 6.464 0.778 -13.015 1.00 63.42 H new ATOM 1943 N PHE A 125 3.635 -2.473 -11.522 1.00 44.22 N ATOM 1944 CA PHE A 125 3.798 -3.272 -10.274 1.00 42.43 C ATOM 1945 C PHE A 125 2.883 -4.518 -10.237 1.00 42.22 C ATOM 1946 O PHE A 125 2.966 -5.297 -9.292 1.00 61.04 O ATOM 1947 CB PHE A 125 3.506 -2.379 -9.038 1.00 33.04 C ATOM 1948 CG PHE A 125 4.446 -1.176 -8.901 1.00 33.50 C ATOM 1949 CD1 PHE A 125 4.217 0.004 -9.611 1.00 72.31 C ATOM 1950 CD2 PHE A 125 5.564 -1.232 -8.076 1.00 42.42 C ATOM 1951 CE1 PHE A 125 5.073 1.080 -9.496 1.00 13.02 C ATOM 1952 CE2 PHE A 125 6.417 -0.157 -7.961 1.00 63.21 C ATOM 1953 CZ PHE A 125 6.175 0.998 -8.670 1.00 25.24 C ATOM 0 H PHE A 125 2.769 -1.934 -11.544 1.00 44.22 H new ATOM 0 HA PHE A 125 4.829 -3.626 -10.254 1.00 42.43 H new ATOM 0 HB2 PHE A 125 2.479 -2.019 -9.097 1.00 33.04 H new ATOM 0 HB3 PHE A 125 3.579 -2.988 -8.137 1.00 33.04 H new ATOM 0 HD1 PHE A 125 3.357 0.076 -10.260 1.00 72.31 H new ATOM 0 HD2 PHE A 125 5.767 -2.133 -7.516 1.00 42.42 H new ATOM 0 HE1 PHE A 125 4.881 1.986 -10.052 1.00 13.02 H new ATOM 0 HE2 PHE A 125 7.278 -0.220 -7.313 1.00 63.21 H new ATOM 0 HZ PHE A 125 6.847 1.839 -8.580 1.00 25.24 H new ATOM 1963 N GLY A 126 2.014 -4.679 -11.260 1.00 61.41 N ATOM 1964 CA GLY A 126 1.085 -5.832 -11.361 1.00 22.54 C ATOM 1965 C GLY A 126 -0.059 -5.846 -10.318 1.00 42.31 C ATOM 1966 O GLY A 126 0.064 -5.280 -9.226 1.00 52.01 O ATOM 0 H GLY A 126 1.935 -4.020 -12.034 1.00 61.41 H new ATOM 0 HA2 GLY A 126 0.646 -5.839 -12.359 1.00 22.54 H new ATOM 0 HA3 GLY A 126 1.660 -6.752 -11.259 1.00 22.54 H new ATOM 1970 N ASP A 127 -1.197 -6.486 -10.667 1.00 21.34 N ATOM 1971 CA ASP A 127 -2.336 -6.696 -9.729 1.00 23.10 C ATOM 1972 C ASP A 127 -2.150 -7.994 -8.888 1.00 12.15 C ATOM 1973 O ASP A 127 -2.677 -8.111 -7.776 1.00 52.32 O ATOM 1974 CB ASP A 127 -3.685 -6.709 -10.498 1.00 2.14 C ATOM 1975 CG ASP A 127 -3.793 -7.857 -11.511 1.00 5.14 C ATOM 1976 OD1 ASP A 127 -3.182 -7.761 -12.599 1.00 14.21 O ATOM 1977 OD2 ASP A 127 -4.465 -8.866 -11.214 1.00 32.05 O ATOM 0 H ASP A 127 -1.357 -6.871 -11.598 1.00 21.34 H new ATOM 0 HA ASP A 127 -2.354 -5.859 -9.031 1.00 23.10 H new ATOM 0 HB2 ASP A 127 -4.503 -6.787 -9.782 1.00 2.14 H new ATOM 0 HB3 ASP A 127 -3.807 -5.760 -11.020 1.00 2.14 H new ATOM 1982 N ASN A 128 -1.413 -8.976 -9.446 1.00 65.33 N ATOM 1983 CA ASN A 128 -1.028 -10.223 -8.726 1.00 3.13 C ATOM 1984 C ASN A 128 0.478 -10.215 -8.355 1.00 2.14 C ATOM 1985 O ASN A 128 1.015 -11.212 -7.870 1.00 22.22 O ATOM 1986 CB ASN A 128 -1.379 -11.480 -9.569 1.00 12.53 C ATOM 1987 CG ASN A 128 -2.873 -11.624 -9.906 1.00 50.13 C ATOM 1988 OD1 ASN A 128 -3.233 -12.185 -10.937 1.00 74.03 O ATOM 1989 ND2 ASN A 128 -3.763 -11.128 -9.056 1.00 43.04 N ATOM 0 H ASN A 128 -1.066 -8.934 -10.404 1.00 65.33 H new ATOM 0 HA ASN A 128 -1.601 -10.262 -7.800 1.00 3.13 H new ATOM 0 HB2 ASN A 128 -0.811 -11.449 -10.499 1.00 12.53 H new ATOM 0 HB3 ASN A 128 -1.054 -12.368 -9.027 1.00 12.53 H new ATOM 0 HD21 ASN A 128 -4.760 -11.210 -9.256 1.00 43.04 H new ATOM 0 HD22 ASN A 128 -3.450 -10.664 -8.203 1.00 43.04 H new ATOM 1996 N VAL A 129 1.135 -9.064 -8.555 1.00 25.41 N ATOM 1997 CA VAL A 129 2.558 -8.850 -8.215 1.00 75.23 C ATOM 1998 C VAL A 129 2.662 -7.812 -7.066 1.00 31.42 C ATOM 1999 O VAL A 129 1.855 -6.877 -6.994 1.00 73.42 O ATOM 2000 CB VAL A 129 3.391 -8.374 -9.464 1.00 30.14 C ATOM 2001 CG1 VAL A 129 4.900 -8.224 -9.138 1.00 63.13 C ATOM 2002 CG2 VAL A 129 3.177 -9.310 -10.673 1.00 40.40 C ATOM 0 H VAL A 129 0.691 -8.241 -8.963 1.00 25.41 H new ATOM 0 HA VAL A 129 2.980 -9.801 -7.890 1.00 75.23 H new ATOM 0 HB VAL A 129 3.019 -7.385 -9.732 1.00 30.14 H new ATOM 0 HG11 VAL A 129 5.434 -7.894 -10.029 1.00 63.13 H new ATOM 0 HG12 VAL A 129 5.029 -7.488 -8.344 1.00 63.13 H new ATOM 0 HG13 VAL A 129 5.299 -9.184 -8.811 1.00 63.13 H new ATOM 0 HG21 VAL A 129 3.766 -8.953 -11.518 1.00 40.40 H new ATOM 0 HG22 VAL A 129 3.492 -10.320 -10.411 1.00 40.40 H new ATOM 0 HG23 VAL A 129 2.121 -9.318 -10.944 1.00 40.40 H new ATOM 2012 N VAL A 130 3.624 -8.020 -6.153 1.00 34.44 N ATOM 2013 CA VAL A 130 3.855 -7.138 -4.993 1.00 61.44 C ATOM 2014 C VAL A 130 4.596 -5.845 -5.439 1.00 14.45 C ATOM 2015 O VAL A 130 5.620 -5.929 -6.139 1.00 35.13 O ATOM 2016 CB VAL A 130 4.715 -7.871 -3.880 1.00 33.32 C ATOM 2017 CG1 VAL A 130 4.970 -6.973 -2.637 1.00 64.21 C ATOM 2018 CG2 VAL A 130 4.062 -9.206 -3.465 1.00 52.52 C ATOM 0 H VAL A 130 4.269 -8.809 -6.197 1.00 34.44 H new ATOM 0 HA VAL A 130 2.882 -6.880 -4.574 1.00 61.44 H new ATOM 0 HB VAL A 130 5.687 -8.083 -4.325 1.00 33.32 H new ATOM 0 HG11 VAL A 130 5.563 -7.523 -1.906 1.00 64.21 H new ATOM 0 HG12 VAL A 130 5.510 -6.076 -2.941 1.00 64.21 H new ATOM 0 HG13 VAL A 130 4.017 -6.689 -2.191 1.00 64.21 H new ATOM 0 HG21 VAL A 130 4.672 -9.688 -2.701 1.00 52.52 H new ATOM 0 HG22 VAL A 130 3.066 -9.015 -3.067 1.00 52.52 H new ATOM 0 HG23 VAL A 130 3.986 -9.860 -4.334 1.00 52.52 H new ATOM 2028 N PRO A 131 4.068 -4.632 -5.057 1.00 73.54 N ATOM 2029 CA PRO A 131 4.789 -3.345 -5.193 1.00 21.11 C ATOM 2030 C PRO A 131 6.188 -3.360 -4.540 1.00 40.00 C ATOM 2031 O PRO A 131 6.418 -4.036 -3.533 1.00 40.12 O ATOM 2032 CB PRO A 131 3.861 -2.326 -4.484 1.00 42.03 C ATOM 2033 CG PRO A 131 2.502 -2.930 -4.615 1.00 41.12 C ATOM 2034 CD PRO A 131 2.702 -4.422 -4.521 1.00 3.33 C ATOM 0 HA PRO A 131 4.982 -3.107 -6.239 1.00 21.11 H new ATOM 0 HB2 PRO A 131 4.140 -2.191 -3.439 1.00 42.03 H new ATOM 0 HB3 PRO A 131 3.910 -1.345 -4.956 1.00 42.03 H new ATOM 0 HG2 PRO A 131 1.839 -2.574 -3.826 1.00 41.12 H new ATOM 0 HG3 PRO A 131 2.043 -2.657 -5.565 1.00 41.12 H new ATOM 0 HD2 PRO A 131 2.618 -4.773 -3.492 1.00 3.33 H new ATOM 0 HD3 PRO A 131 1.956 -4.963 -5.104 1.00 3.33 H new ATOM 2042 N TYR A 132 7.107 -2.597 -5.125 1.00 51.30 N ATOM 2043 CA TYR A 132 8.513 -2.555 -4.708 1.00 51.22 C ATOM 2044 C TYR A 132 9.036 -1.110 -4.717 1.00 23.23 C ATOM 2045 O TYR A 132 8.594 -0.273 -5.516 1.00 50.31 O ATOM 2046 CB TYR A 132 9.369 -3.466 -5.649 1.00 21.11 C ATOM 2047 CG TYR A 132 9.127 -3.240 -7.161 1.00 34.12 C ATOM 2048 CD1 TYR A 132 8.111 -3.928 -7.837 1.00 55.53 C ATOM 2049 CD2 TYR A 132 9.897 -2.337 -7.905 1.00 41.45 C ATOM 2050 CE1 TYR A 132 7.876 -3.730 -9.184 1.00 5.30 C ATOM 2051 CE2 TYR A 132 9.659 -2.132 -9.254 1.00 44.20 C ATOM 2052 CZ TYR A 132 8.646 -2.834 -9.889 1.00 12.31 C ATOM 2053 OH TYR A 132 8.400 -2.630 -11.230 1.00 11.31 O ATOM 0 H TYR A 132 6.898 -1.982 -5.911 1.00 51.30 H new ATOM 0 HA TYR A 132 8.594 -2.932 -3.688 1.00 51.22 H new ATOM 0 HB2 TYR A 132 10.424 -3.297 -5.434 1.00 21.11 H new ATOM 0 HB3 TYR A 132 9.158 -4.509 -5.413 1.00 21.11 H new ATOM 0 HD1 TYR A 132 7.497 -4.630 -7.292 1.00 55.53 H new ATOM 0 HD2 TYR A 132 10.691 -1.790 -7.418 1.00 41.45 H new ATOM 0 HE1 TYR A 132 7.090 -4.277 -9.682 1.00 5.30 H new ATOM 0 HE2 TYR A 132 10.261 -1.428 -9.809 1.00 44.20 H new ATOM 0 HH TYR A 132 7.463 -2.839 -11.426 1.00 11.31 H new ATOM 2063 N PHE A 133 9.962 -0.825 -3.796 1.00 54.41 N ATOM 2064 CA PHE A 133 10.785 0.391 -3.848 1.00 54.14 C ATOM 2065 C PHE A 133 11.778 0.272 -5.028 1.00 35.12 C ATOM 2066 O PHE A 133 12.216 -0.840 -5.361 1.00 64.21 O ATOM 2067 CB PHE A 133 11.537 0.586 -2.501 1.00 73.31 C ATOM 2068 CG PHE A 133 12.447 1.821 -2.454 1.00 31.34 C ATOM 2069 CD1 PHE A 133 11.905 3.101 -2.352 1.00 0.40 C ATOM 2070 CD2 PHE A 133 13.838 1.701 -2.526 1.00 62.04 C ATOM 2071 CE1 PHE A 133 12.722 4.218 -2.322 1.00 41.20 C ATOM 2072 CE2 PHE A 133 14.653 2.815 -2.495 1.00 63.51 C ATOM 2073 CZ PHE A 133 14.094 4.074 -2.394 1.00 32.32 C ATOM 0 H PHE A 133 10.163 -1.426 -2.997 1.00 54.41 H new ATOM 0 HA PHE A 133 10.151 1.264 -4.004 1.00 54.14 H new ATOM 0 HB2 PHE A 133 10.804 0.659 -1.697 1.00 73.31 H new ATOM 0 HB3 PHE A 133 12.139 -0.301 -2.304 1.00 73.31 H new ATOM 0 HD1 PHE A 133 10.833 3.223 -2.296 1.00 0.40 H new ATOM 0 HD2 PHE A 133 14.283 0.720 -2.607 1.00 62.04 H new ATOM 0 HE1 PHE A 133 12.286 5.203 -2.242 1.00 41.20 H new ATOM 0 HE2 PHE A 133 15.726 2.702 -2.550 1.00 63.51 H new ATOM 0 HZ PHE A 133 14.730 4.947 -2.371 1.00 32.32 H new ATOM 2083 N ARG A 134 12.115 1.411 -5.659 1.00 14.21 N ATOM 2084 CA ARG A 134 13.078 1.450 -6.784 1.00 53.13 C ATOM 2085 C ARG A 134 14.514 1.146 -6.281 1.00 75.24 C ATOM 2086 O ARG A 134 15.295 2.055 -5.969 1.00 72.44 O ATOM 2087 CB ARG A 134 13.014 2.821 -7.507 1.00 54.10 C ATOM 2088 CG ARG A 134 11.621 3.194 -8.069 1.00 51.34 C ATOM 2089 CD ARG A 134 11.046 2.143 -9.056 1.00 3.11 C ATOM 2090 NE ARG A 134 11.994 1.743 -10.120 1.00 43.20 N ATOM 2091 CZ ARG A 134 12.372 2.474 -11.155 1.00 63.31 C ATOM 2092 NH1 ARG A 134 11.961 3.693 -11.324 1.00 31.04 N ATOM 2093 NH2 ARG A 134 13.184 1.967 -12.024 1.00 22.22 N ATOM 0 H ARG A 134 11.734 2.324 -5.410 1.00 14.21 H new ATOM 0 HA ARG A 134 12.805 0.679 -7.504 1.00 53.13 H new ATOM 0 HB2 ARG A 134 13.329 3.598 -6.811 1.00 54.10 H new ATOM 0 HB3 ARG A 134 13.732 2.817 -8.327 1.00 54.10 H new ATOM 0 HG2 ARG A 134 10.926 3.319 -7.239 1.00 51.34 H new ATOM 0 HG3 ARG A 134 11.689 4.157 -8.576 1.00 51.34 H new ATOM 0 HD2 ARG A 134 10.748 1.257 -8.496 1.00 3.11 H new ATOM 0 HD3 ARG A 134 10.145 2.546 -9.518 1.00 3.11 H new ATOM 0 HE ARG A 134 12.397 0.809 -10.047 1.00 43.20 H new ATOM 0 HH11 ARG A 134 11.326 4.116 -10.647 1.00 31.04 H new ATOM 0 HH12 ARG A 134 12.273 4.229 -12.134 1.00 31.04 H new ATOM 0 HH21 ARG A 134 13.526 1.013 -11.907 1.00 22.22 H new ATOM 0 HH22 ARG A 134 13.483 2.521 -12.827 1.00 22.22 H new ATOM 2107 N GLY A 135 14.822 -0.156 -6.177 1.00 64.25 N ATOM 2108 CA GLY A 135 16.076 -0.647 -5.590 1.00 34.32 C ATOM 2109 C GLY A 135 15.827 -1.646 -4.456 1.00 33.20 C ATOM 2110 O GLY A 135 14.809 -2.359 -4.472 1.00 71.33 O ATOM 0 H GLY A 135 14.204 -0.901 -6.500 1.00 64.25 H new ATOM 0 HA2 GLY A 135 16.678 -1.121 -6.365 1.00 34.32 H new ATOM 0 HA3 GLY A 135 16.653 0.196 -5.210 1.00 34.32 H new ATOM 2114 N LEU A 136 16.757 -1.673 -3.468 1.00 33.15 N ATOM 2115 CA LEU A 136 16.768 -2.631 -2.332 1.00 72.54 C ATOM 2116 C LEU A 136 16.918 -4.093 -2.828 1.00 62.02 C ATOM 2117 O LEU A 136 15.990 -4.647 -3.431 1.00 1.44 O ATOM 2118 CB LEU A 136 15.506 -2.485 -1.412 1.00 54.42 C ATOM 2119 CG LEU A 136 15.338 -1.113 -0.679 1.00 52.21 C ATOM 2120 CD1 LEU A 136 14.013 -1.064 0.125 1.00 3.52 C ATOM 2121 CD2 LEU A 136 16.557 -0.801 0.227 1.00 31.14 C ATOM 0 H LEU A 136 17.537 -1.016 -3.438 1.00 33.15 H new ATOM 0 HA LEU A 136 17.639 -2.382 -1.726 1.00 72.54 H new ATOM 0 HB2 LEU A 136 14.618 -2.660 -2.019 1.00 54.42 H new ATOM 0 HB3 LEU A 136 15.538 -3.273 -0.660 1.00 54.42 H new ATOM 0 HG LEU A 136 15.291 -0.337 -1.443 1.00 52.21 H new ATOM 0 HD11 LEU A 136 13.925 -0.098 0.623 1.00 3.52 H new ATOM 0 HD12 LEU A 136 13.171 -1.201 -0.553 1.00 3.52 H new ATOM 0 HD13 LEU A 136 14.011 -1.859 0.871 1.00 3.52 H new ATOM 0 HD21 LEU A 136 16.407 0.159 0.721 1.00 31.14 H new ATOM 0 HD22 LEU A 136 16.661 -1.583 0.979 1.00 31.14 H new ATOM 0 HD23 LEU A 136 17.461 -0.759 -0.381 1.00 31.14 H new ATOM 2133 N GLU A 137 18.094 -4.711 -2.585 1.00 53.41 N ATOM 2134 CA GLU A 137 18.317 -6.141 -2.910 1.00 44.41 C ATOM 2135 C GLU A 137 17.376 -7.001 -2.028 1.00 34.00 C ATOM 2136 O GLU A 137 17.578 -7.114 -0.810 1.00 14.03 O ATOM 2137 CB GLU A 137 19.817 -6.541 -2.703 1.00 30.54 C ATOM 2138 CG GLU A 137 20.324 -7.735 -3.562 1.00 64.00 C ATOM 2139 CD GLU A 137 19.517 -9.048 -3.421 1.00 30.21 C ATOM 2140 OE1 GLU A 137 19.647 -9.728 -2.384 1.00 44.22 O ATOM 2141 OE2 GLU A 137 18.734 -9.389 -4.341 1.00 0.04 O ATOM 0 H GLU A 137 18.901 -4.247 -2.167 1.00 53.41 H new ATOM 0 HA GLU A 137 18.088 -6.317 -3.961 1.00 44.41 H new ATOM 0 HB2 GLU A 137 20.438 -5.672 -2.920 1.00 30.54 H new ATOM 0 HB3 GLU A 137 19.967 -6.785 -1.651 1.00 30.54 H new ATOM 0 HG2 GLU A 137 20.316 -7.435 -4.610 1.00 64.00 H new ATOM 0 HG3 GLU A 137 21.362 -7.937 -3.296 1.00 64.00 H new ATOM 2148 N HIS A 138 16.331 -7.567 -2.657 1.00 23.00 N ATOM 2149 CA HIS A 138 15.259 -8.283 -1.941 1.00 54.11 C ATOM 2150 C HIS A 138 15.697 -9.722 -1.569 1.00 23.23 C ATOM 2151 O HIS A 138 15.458 -10.681 -2.319 1.00 54.43 O ATOM 2152 CB HIS A 138 13.945 -8.283 -2.777 1.00 32.10 C ATOM 2153 CG HIS A 138 13.492 -6.907 -3.210 1.00 62.05 C ATOM 2154 ND1 HIS A 138 13.415 -6.525 -4.529 1.00 40.23 N ATOM 2155 CD2 HIS A 138 13.097 -5.823 -2.492 1.00 61.30 C ATOM 2156 CE1 HIS A 138 13.005 -5.276 -4.609 1.00 71.34 C ATOM 2157 NE2 HIS A 138 12.803 -4.821 -3.391 1.00 74.52 N ATOM 0 H HIS A 138 16.205 -7.542 -3.669 1.00 23.00 H new ATOM 0 HA HIS A 138 15.061 -7.755 -1.008 1.00 54.11 H new ATOM 0 HB2 HIS A 138 14.090 -8.902 -3.662 1.00 32.10 H new ATOM 0 HB3 HIS A 138 13.153 -8.747 -2.190 1.00 32.10 H new ATOM 0 HD1 HIS A 138 13.642 -7.120 -5.326 1.00 40.23 H new ATOM 0 HD2 HIS A 138 13.027 -5.759 -1.416 1.00 61.30 H new ATOM 0 HE1 HIS A 138 12.859 -4.718 -5.522 1.00 71.34 H new ATOM 2166 N HIS A 139 16.381 -9.842 -0.413 1.00 31.44 N ATOM 2167 CA HIS A 139 16.724 -11.141 0.197 1.00 54.33 C ATOM 2168 C HIS A 139 15.422 -11.839 0.667 1.00 1.13 C ATOM 2169 O HIS A 139 14.892 -11.505 1.723 1.00 35.15 O ATOM 2170 CB HIS A 139 17.702 -10.938 1.396 1.00 34.11 C ATOM 2171 CG HIS A 139 18.981 -10.220 1.051 1.00 73.21 C ATOM 2172 ND1 HIS A 139 19.091 -8.845 1.039 1.00 5.24 N ATOM 2173 CD2 HIS A 139 20.205 -10.688 0.710 1.00 43.33 C ATOM 2174 CE1 HIS A 139 20.320 -8.505 0.721 1.00 33.12 C ATOM 2175 NE2 HIS A 139 21.014 -9.600 0.515 1.00 62.52 N ATOM 0 H HIS A 139 16.711 -9.040 0.124 1.00 31.44 H new ATOM 0 HA HIS A 139 17.224 -11.769 -0.541 1.00 54.33 H new ATOM 0 HB2 HIS A 139 17.187 -10.379 2.177 1.00 34.11 H new ATOM 0 HB3 HIS A 139 17.950 -11.914 1.814 1.00 34.11 H new ATOM 0 HD2 HIS A 139 20.490 -11.725 0.610 1.00 43.33 H new ATOM 0 HE1 HIS A 139 20.695 -7.495 0.642 1.00 33.12 H new ATOM 0 HE2 HIS A 139 21.999 -9.635 0.252 1.00 62.52 H new ATOM 2184 N HIS A 140 14.885 -12.754 -0.156 1.00 32.32 N ATOM 2185 CA HIS A 140 13.553 -13.373 0.080 1.00 12.13 C ATOM 2186 C HIS A 140 13.632 -14.639 0.982 1.00 61.44 C ATOM 2187 O HIS A 140 14.246 -15.646 0.617 1.00 10.21 O ATOM 2188 CB HIS A 140 12.846 -13.674 -1.280 1.00 35.10 C ATOM 2189 CG HIS A 140 13.675 -14.451 -2.281 1.00 73.34 C ATOM 2190 ND1 HIS A 140 14.386 -13.847 -3.298 1.00 62.30 N ATOM 2191 CD2 HIS A 140 13.883 -15.785 -2.435 1.00 42.34 C ATOM 2192 CE1 HIS A 140 14.984 -14.769 -4.026 1.00 3.14 C ATOM 2193 NE2 HIS A 140 14.699 -15.950 -3.524 1.00 3.22 N ATOM 0 H HIS A 140 15.350 -13.089 -0.999 1.00 32.32 H new ATOM 0 HA HIS A 140 12.949 -12.651 0.630 1.00 12.13 H new ATOM 0 HB2 HIS A 140 11.931 -14.232 -1.080 1.00 35.10 H new ATOM 0 HB3 HIS A 140 12.550 -12.728 -1.734 1.00 35.10 H new ATOM 0 HD2 HIS A 140 13.480 -16.571 -1.814 1.00 42.34 H new ATOM 0 HE1 HIS A 140 15.605 -14.585 -4.891 1.00 3.14 H new ATOM 0 HE2 HIS A 140 15.031 -16.844 -3.886 1.00 3.22 H new ATOM 2202 N HIS A 141 13.020 -14.549 2.181 1.00 31.30 N ATOM 2203 CA HIS A 141 12.819 -15.700 3.100 1.00 43.43 C ATOM 2204 C HIS A 141 11.666 -15.414 4.099 1.00 24.30 C ATOM 2205 O HIS A 141 11.092 -14.322 4.094 1.00 73.05 O ATOM 2206 CB HIS A 141 14.141 -16.071 3.838 1.00 53.05 C ATOM 2207 CG HIS A 141 14.716 -15.007 4.747 1.00 50.52 C ATOM 2208 ND1 HIS A 141 15.776 -14.197 4.390 1.00 5.32 N ATOM 2209 CD2 HIS A 141 14.405 -14.654 6.018 1.00 60.53 C ATOM 2210 CE1 HIS A 141 16.088 -13.406 5.395 1.00 24.43 C ATOM 2211 NE2 HIS A 141 15.273 -13.662 6.396 1.00 4.35 N ATOM 0 H HIS A 141 12.647 -13.672 2.545 1.00 31.30 H new ATOM 0 HA HIS A 141 12.531 -16.564 2.502 1.00 43.43 H new ATOM 0 HB2 HIS A 141 13.963 -16.969 4.430 1.00 53.05 H new ATOM 0 HB3 HIS A 141 14.892 -16.326 3.090 1.00 53.05 H new ATOM 0 HD2 HIS A 141 13.617 -15.077 6.623 1.00 60.53 H new ATOM 0 HE1 HIS A 141 16.879 -12.671 5.398 1.00 24.43 H new ATOM 0 HE2 HIS A 141 15.285 -13.198 7.304 1.00 4.35 H new ATOM 2220 N HIS A 142 11.340 -16.401 4.961 1.00 44.45 N ATOM 2221 CA HIS A 142 10.237 -16.278 5.952 1.00 50.22 C ATOM 2222 C HIS A 142 10.614 -15.359 7.150 1.00 10.42 C ATOM 2223 O HIS A 142 10.047 -14.271 7.300 1.00 71.43 O ATOM 2224 CB HIS A 142 9.796 -17.685 6.444 1.00 63.42 C ATOM 2225 CG HIS A 142 9.065 -18.492 5.399 1.00 35.42 C ATOM 2226 ND1 HIS A 142 7.696 -18.490 5.291 1.00 55.21 N ATOM 2227 CD2 HIS A 142 9.512 -19.296 4.404 1.00 11.01 C ATOM 2228 CE1 HIS A 142 7.332 -19.252 4.289 1.00 23.22 C ATOM 2229 NE2 HIS A 142 8.408 -19.753 3.729 1.00 32.23 N ATOM 0 H HIS A 142 11.825 -17.298 4.994 1.00 44.45 H new ATOM 0 HA HIS A 142 9.397 -15.801 5.447 1.00 50.22 H new ATOM 0 HB2 HIS A 142 10.677 -18.239 6.768 1.00 63.42 H new ATOM 0 HB3 HIS A 142 9.153 -17.570 7.317 1.00 63.42 H new ATOM 0 HD1 HIS A 142 7.059 -17.974 5.898 1.00 55.21 H new ATOM 0 HD2 HIS A 142 10.543 -19.532 4.184 1.00 11.01 H new ATOM 0 HE1 HIS A 142 6.315 -19.437 3.976 1.00 23.22 H new ATOM 2238 N HIS A 143 11.582 -15.795 7.987 1.00 62.35 N ATOM 2239 CA HIS A 143 11.977 -15.057 9.220 1.00 63.11 C ATOM 2240 C HIS A 143 13.459 -15.297 9.581 1.00 12.50 C ATOM 2241 O HIS A 143 14.360 -14.556 9.172 1.00 20.11 O ATOM 2242 CB HIS A 143 11.056 -15.467 10.406 1.00 22.42 C ATOM 2243 CG HIS A 143 11.080 -16.942 10.754 1.00 10.04 C ATOM 2244 ND1 HIS A 143 11.937 -17.486 11.692 1.00 24.04 N ATOM 2245 CD2 HIS A 143 10.346 -17.982 10.286 1.00 55.40 C ATOM 2246 CE1 HIS A 143 11.734 -18.782 11.780 1.00 72.30 C ATOM 2247 NE2 HIS A 143 10.775 -19.110 10.941 1.00 52.35 N ATOM 0 H HIS A 143 12.108 -16.655 7.835 1.00 62.35 H new ATOM 0 HA HIS A 143 11.857 -13.992 9.024 1.00 63.11 H new ATOM 0 HB2 HIS A 143 11.348 -14.896 11.287 1.00 22.42 H new ATOM 0 HB3 HIS A 143 10.032 -15.182 10.166 1.00 22.42 H new ATOM 0 HD2 HIS A 143 9.569 -17.932 9.538 1.00 55.40 H new ATOM 0 HE1 HIS A 143 12.264 -19.462 12.430 1.00 72.30 H new ATOM 0 HE2 HIS A 143 10.409 -20.051 10.800 1.00 52.35 H new TER 2256 HIS A 143