USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=29 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 124 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 132 TYR OH : rot -158:sc= 0.55 USER MOD Set 1.3: A 138 HIS : no HD1:sc= 0 X(o=0.55,f=0.55) USER MOD Set 2.1: A 64 TYR OH : rot 30:sc= 1.13 USER MOD Set 2.2: A 81 ASN :FLIP amide:sc= -1.06 F(o=-3.2!,f=-2.4) USER MOD Set 2.3: A 84 HIS : no HD1:sc= -2.32! C(o=-2.4!,f=-7!) USER MOD Set 2.4: A 99 HIS : no HD1:sc= -0.787 K(o=-2.4,f=-3.3) USER MOD Set 2.5: A 115 TYR OH : rot -137:sc= 0.688 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0343) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.9) USER MOD Single : A 22 TYR OH : rot 71:sc= -0.11 USER MOD Single : A 24 GLN : amide:sc= 0.167 K(o=0.17,f=-2.8) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 30 TYR OH : rot 15:sc= -0.953 USER MOD Single : A 32 MET CE :methyl -133:sc= -1.22 (180deg=-2.53) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.255 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 75:sc= 1.15 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -87:sc= 1.08 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.807 K(o=-0.81,f=-2.2) USER MOD Single : A 74 HIS : no HD1:sc= 0.234 K(o=0.23,f=-1.2) USER MOD Single : A 75 ASN : amide:sc= -0.057 K(o=-0.057,f=-2!) 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 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 71:sc= 0.429 USER MOD Single : A 103 TYR OH : rot -67:sc= 0.971 USER MOD Single : A 104 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=-0.46) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0.244 USER MOD Single : A 113 ASN : amide:sc= 0.0121 K(o=0.012,f=-1.6) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 40:sc= 0.588 USER MOD Single : A 121 TYR OH : rot -130:sc= -2.96! USER MOD Single : A 122 THR OG1 : rot 74:sc= 0.227 USER MOD Single : A 128 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 139 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.51) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HE2:sc= -1.89! C(o=-1.9!,f=-3.5!) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HE2:sc= 0.118 K(o=0.12,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.371 -7.993 -6.825 1.00 64.40 N ATOM 2 CA MET A 1 13.398 -9.110 -6.738 1.00 40.23 C ATOM 3 C MET A 1 11.931 -8.578 -6.739 1.00 11.00 C ATOM 4 O MET A 1 11.406 -8.205 -5.680 1.00 44.11 O ATOM 5 CB MET A 1 13.664 -9.969 -5.464 1.00 41.41 C ATOM 6 CG MET A 1 15.034 -10.655 -5.408 1.00 31.42 C ATOM 7 SD MET A 1 15.240 -11.641 -3.911 1.00 63.43 S ATOM 8 CE MET A 1 16.879 -12.326 -4.139 1.00 35.45 C ATOM 0 H1 MET A 1 15.332 -8.377 -6.925 1.00 64.40 H new ATOM 0 H2 MET A 1 14.147 -7.401 -7.650 1.00 64.40 H new ATOM 0 H3 MET A 1 14.317 -7.417 -5.961 1.00 64.40 H new ATOM 0 HA MET A 1 13.530 -9.740 -7.618 1.00 40.23 H new ATOM 0 HB2 MET A 1 13.561 -9.330 -4.587 1.00 41.41 H new ATOM 0 HB3 MET A 1 12.890 -10.734 -5.394 1.00 41.41 H new ATOM 0 HG2 MET A 1 15.154 -11.295 -6.282 1.00 31.42 H new ATOM 0 HG3 MET A 1 15.819 -9.900 -5.455 1.00 31.42 H new ATOM 0 HE1 MET A 1 17.132 -12.956 -3.286 1.00 35.45 H new ATOM 0 HE2 MET A 1 16.900 -12.924 -5.050 1.00 35.45 H new ATOM 0 HE3 MET A 1 17.604 -11.516 -4.220 1.00 35.45 H new ATOM 20 N PRO A 2 11.266 -8.477 -7.935 1.00 52.53 N ATOM 21 CA PRO A 2 9.809 -8.224 -8.023 1.00 0.22 C ATOM 22 C PRO A 2 9.000 -9.557 -7.933 1.00 40.12 C ATOM 23 O PRO A 2 8.874 -10.297 -8.917 1.00 53.40 O ATOM 24 CB PRO A 2 9.668 -7.510 -9.395 1.00 53.02 C ATOM 25 CG PRO A 2 10.796 -8.054 -10.243 1.00 25.53 C ATOM 26 CD PRO A 2 11.882 -8.559 -9.289 1.00 62.03 C ATOM 0 HA PRO A 2 9.410 -7.622 -7.206 1.00 0.22 H new ATOM 0 HB2 PRO A 2 8.699 -7.717 -9.849 1.00 53.02 H new ATOM 0 HB3 PRO A 2 9.744 -6.428 -9.286 1.00 53.02 H new ATOM 0 HG2 PRO A 2 10.441 -8.862 -10.882 1.00 25.53 H new ATOM 0 HG3 PRO A 2 11.191 -7.279 -10.899 1.00 25.53 H new ATOM 0 HD2 PRO A 2 12.176 -9.581 -9.529 1.00 62.03 H new ATOM 0 HD3 PRO A 2 12.781 -7.946 -9.353 1.00 62.03 H new ATOM 34 N LEU A 3 8.473 -9.855 -6.730 1.00 24.11 N ATOM 35 CA LEU A 3 7.812 -11.145 -6.424 1.00 35.35 C ATOM 36 C LEU A 3 6.312 -11.076 -6.808 1.00 70.32 C ATOM 37 O LEU A 3 5.609 -10.195 -6.350 1.00 30.40 O ATOM 38 CB LEU A 3 7.984 -11.465 -4.898 1.00 4.03 C ATOM 39 CG LEU A 3 8.078 -12.976 -4.475 1.00 4.33 C ATOM 40 CD1 LEU A 3 8.178 -13.110 -2.942 1.00 31.54 C ATOM 41 CD2 LEU A 3 6.919 -13.838 -5.033 1.00 22.01 C ATOM 0 H LEU A 3 8.492 -9.210 -5.940 1.00 24.11 H new ATOM 0 HA LEU A 3 8.274 -11.943 -7.006 1.00 35.35 H new ATOM 0 HB2 LEU A 3 8.886 -10.962 -4.549 1.00 4.03 H new ATOM 0 HB3 LEU A 3 7.144 -11.019 -4.365 1.00 4.03 H new ATOM 0 HG LEU A 3 8.992 -13.366 -4.923 1.00 4.33 H new ATOM 0 HD11 LEU A 3 8.242 -14.164 -2.672 1.00 31.54 H new ATOM 0 HD12 LEU A 3 9.069 -12.590 -2.589 1.00 31.54 H new ATOM 0 HD13 LEU A 3 7.294 -12.670 -2.480 1.00 31.54 H new ATOM 0 HD21 LEU A 3 7.043 -14.870 -4.705 1.00 22.01 H new ATOM 0 HD22 LEU A 3 5.968 -13.452 -4.665 1.00 22.01 H new ATOM 0 HD23 LEU A 3 6.929 -13.800 -6.122 1.00 22.01 H new ATOM 53 N GLU A 4 5.822 -12.039 -7.605 1.00 14.51 N ATOM 54 CA GLU A 4 4.411 -12.066 -8.066 1.00 54.14 C ATOM 55 C GLU A 4 3.643 -13.264 -7.472 1.00 4.15 C ATOM 56 O GLU A 4 4.152 -14.392 -7.454 1.00 63.21 O ATOM 57 CB GLU A 4 4.365 -12.130 -9.619 1.00 44.54 C ATOM 58 CG GLU A 4 2.942 -12.181 -10.214 1.00 14.12 C ATOM 59 CD GLU A 4 2.916 -12.213 -11.748 1.00 21.44 C ATOM 60 OE1 GLU A 4 2.947 -13.318 -12.336 1.00 41.53 O ATOM 61 OE2 GLU A 4 2.869 -11.132 -12.379 1.00 1.52 O ATOM 0 H GLU A 4 6.382 -12.819 -7.950 1.00 14.51 H new ATOM 0 HA GLU A 4 3.928 -11.152 -7.720 1.00 54.14 H new ATOM 0 HB2 GLU A 4 4.883 -11.259 -10.022 1.00 44.54 H new ATOM 0 HB3 GLU A 4 4.916 -13.010 -9.951 1.00 44.54 H new ATOM 0 HG2 GLU A 4 2.429 -13.064 -9.832 1.00 14.12 H new ATOM 0 HG3 GLU A 4 2.382 -11.313 -9.868 1.00 14.12 H new ATOM 68 N TRP A 5 2.409 -13.012 -6.992 1.00 71.11 N ATOM 69 CA TRP A 5 1.455 -14.067 -6.616 1.00 54.11 C ATOM 70 C TRP A 5 0.423 -14.280 -7.740 1.00 32.40 C ATOM 71 O TRP A 5 -0.117 -13.322 -8.297 1.00 71.11 O ATOM 72 CB TRP A 5 0.720 -13.749 -5.287 1.00 24.11 C ATOM 73 CG TRP A 5 -0.180 -14.883 -4.839 1.00 63.54 C ATOM 74 CD1 TRP A 5 0.226 -16.087 -4.348 1.00 24.04 C ATOM 75 CD2 TRP A 5 -1.617 -14.939 -4.877 1.00 13.42 C ATOM 76 NE1 TRP A 5 -0.853 -16.887 -4.105 1.00 21.20 N ATOM 77 CE2 TRP A 5 -1.994 -16.209 -4.408 1.00 15.02 C ATOM 78 CE3 TRP A 5 -2.618 -14.048 -5.269 1.00 13.45 C ATOM 79 CZ2 TRP A 5 -3.320 -16.609 -4.312 1.00 52.12 C ATOM 80 CZ3 TRP A 5 -3.937 -14.445 -5.171 1.00 65.43 C ATOM 81 CH2 TRP A 5 -4.277 -15.717 -4.701 1.00 62.45 C ATOM 0 H TRP A 5 2.048 -12.068 -6.855 1.00 71.11 H new ATOM 0 HA TRP A 5 2.032 -14.980 -6.466 1.00 54.11 H new ATOM 0 HB2 TRP A 5 1.455 -13.543 -4.509 1.00 24.11 H new ATOM 0 HB3 TRP A 5 0.125 -12.844 -5.411 1.00 24.11 H new ATOM 0 HD1 TRP A 5 1.254 -16.368 -4.176 1.00 24.04 H new ATOM 0 HE1 TRP A 5 -0.811 -17.843 -3.752 1.00 21.20 H new ATOM 0 HE3 TRP A 5 -2.365 -13.066 -5.642 1.00 13.45 H new ATOM 0 HZ2 TRP A 5 -3.584 -17.589 -3.943 1.00 52.12 H new ATOM 0 HZ3 TRP A 5 -4.720 -13.761 -5.463 1.00 65.43 H new ATOM 0 HH2 TRP A 5 -5.318 -15.999 -4.645 1.00 62.45 H new ATOM 92 N ARG A 6 0.155 -15.549 -8.046 1.00 71.35 N ATOM 93 CA ARG A 6 -0.881 -15.968 -9.009 1.00 63.34 C ATOM 94 C ARG A 6 -1.694 -17.153 -8.433 1.00 54.14 C ATOM 95 O ARG A 6 -1.298 -17.761 -7.426 1.00 34.52 O ATOM 96 CB ARG A 6 -0.260 -16.322 -10.399 1.00 32.44 C ATOM 97 CG ARG A 6 0.697 -17.543 -10.435 1.00 62.24 C ATOM 98 CD ARG A 6 2.055 -17.302 -9.739 1.00 35.23 C ATOM 99 NE ARG A 6 2.855 -16.239 -10.394 1.00 20.44 N ATOM 100 CZ ARG A 6 4.170 -16.208 -10.457 1.00 62.10 C ATOM 101 NH1 ARG A 6 4.893 -17.151 -9.953 1.00 12.41 N ATOM 102 NH2 ARG A 6 4.761 -15.234 -11.049 1.00 3.35 N ATOM 0 H ARG A 6 0.656 -16.333 -7.628 1.00 71.35 H new ATOM 0 HA ARG A 6 -1.560 -15.131 -9.169 1.00 63.34 H new ATOM 0 HB2 ARG A 6 -1.074 -16.505 -11.101 1.00 32.44 H new ATOM 0 HB3 ARG A 6 0.284 -15.450 -10.762 1.00 32.44 H new ATOM 0 HG2 ARG A 6 0.204 -18.392 -9.961 1.00 62.24 H new ATOM 0 HG3 ARG A 6 0.877 -17.819 -11.474 1.00 62.24 H new ATOM 0 HD2 ARG A 6 1.881 -17.030 -8.698 1.00 35.23 H new ATOM 0 HD3 ARG A 6 2.626 -18.230 -9.735 1.00 35.23 H new ATOM 0 HE ARG A 6 2.346 -15.470 -10.831 1.00 20.44 H new ATOM 0 HH11 ARG A 6 4.447 -17.945 -9.492 1.00 12.41 H new ATOM 0 HH12 ARG A 6 5.910 -17.103 -10.015 1.00 12.41 H new ATOM 0 HH21 ARG A 6 4.212 -14.485 -11.470 1.00 3.35 H new ATOM 0 HH22 ARG A 6 5.780 -15.210 -11.098 1.00 3.35 H new ATOM 116 N ALA A 7 -2.818 -17.484 -9.090 1.00 22.13 N ATOM 117 CA ALA A 7 -3.693 -18.598 -8.663 1.00 13.44 C ATOM 118 C ALA A 7 -2.983 -19.960 -8.877 1.00 54.34 C ATOM 119 O ALA A 7 -2.418 -20.214 -9.948 1.00 71.30 O ATOM 120 CB ALA A 7 -5.042 -18.553 -9.404 1.00 61.21 C ATOM 0 H ALA A 7 -3.146 -16.996 -9.923 1.00 22.13 H new ATOM 0 HA ALA A 7 -3.896 -18.485 -7.598 1.00 13.44 H new ATOM 0 HB1 ALA A 7 -5.667 -19.382 -9.073 1.00 61.21 H new ATOM 0 HB2 ALA A 7 -5.545 -17.610 -9.188 1.00 61.21 H new ATOM 0 HB3 ALA A 7 -4.870 -18.635 -10.477 1.00 61.21 H new ATOM 126 N GLY A 8 -3.015 -20.822 -7.848 1.00 64.54 N ATOM 127 CA GLY A 8 -2.306 -22.114 -7.873 1.00 44.40 C ATOM 128 C GLY A 8 -0.965 -22.101 -7.127 1.00 22.33 C ATOM 129 O GLY A 8 -0.293 -23.136 -7.054 1.00 4.32 O ATOM 0 H GLY A 8 -3.527 -20.647 -6.983 1.00 64.54 H new ATOM 0 HA2 GLY A 8 -2.948 -22.878 -7.434 1.00 44.40 H new ATOM 0 HA3 GLY A 8 -2.131 -22.402 -8.910 1.00 44.40 H new ATOM 133 N ALA A 9 -0.560 -20.925 -6.603 1.00 0.20 N ATOM 134 CA ALA A 9 0.646 -20.788 -5.750 1.00 34.21 C ATOM 135 C ALA A 9 0.438 -21.451 -4.360 1.00 61.53 C ATOM 136 O ALA A 9 -0.691 -21.525 -3.861 1.00 41.30 O ATOM 137 CB ALA A 9 1.027 -19.305 -5.600 1.00 10.25 C ATOM 0 H ALA A 9 -1.055 -20.046 -6.756 1.00 0.20 H new ATOM 0 HA ALA A 9 1.467 -21.311 -6.240 1.00 34.21 H new ATOM 0 HB1 ALA A 9 1.914 -19.219 -4.972 1.00 10.25 H new ATOM 0 HB2 ALA A 9 1.236 -18.882 -6.583 1.00 10.25 H new ATOM 0 HB3 ALA A 9 0.202 -18.762 -5.139 1.00 10.25 H new ATOM 143 N SER A 10 1.546 -21.895 -3.741 1.00 4.33 N ATOM 144 CA SER A 10 1.527 -22.645 -2.452 1.00 35.24 C ATOM 145 C SER A 10 1.436 -21.687 -1.247 1.00 74.53 C ATOM 146 O SER A 10 1.977 -20.587 -1.292 1.00 24.33 O ATOM 147 CB SER A 10 2.807 -23.517 -2.328 1.00 60.11 C ATOM 148 OG SER A 10 2.905 -24.441 -3.403 1.00 61.12 O ATOM 0 H SER A 10 2.485 -21.749 -4.112 1.00 4.33 H new ATOM 0 HA SER A 10 0.644 -23.284 -2.449 1.00 35.24 H new ATOM 0 HB2 SER A 10 3.688 -22.875 -2.315 1.00 60.11 H new ATOM 0 HB3 SER A 10 2.792 -24.057 -1.381 1.00 60.11 H new ATOM 0 HG SER A 10 3.720 -24.976 -3.301 1.00 61.12 H new ATOM 154 N SER A 11 0.769 -22.146 -0.162 1.00 62.11 N ATOM 155 CA SER A 11 0.523 -21.341 1.073 1.00 33.32 C ATOM 156 C SER A 11 1.837 -20.850 1.718 1.00 23.22 C ATOM 157 O SER A 11 1.887 -19.754 2.279 1.00 14.12 O ATOM 158 CB SER A 11 -0.283 -22.170 2.104 1.00 62.44 C ATOM 159 OG SER A 11 0.421 -23.346 2.480 1.00 31.35 O ATOM 0 H SER A 11 0.382 -23.088 -0.112 1.00 62.11 H new ATOM 0 HA SER A 11 -0.052 -20.464 0.775 1.00 33.32 H new ATOM 0 HB2 SER A 11 -0.481 -21.563 2.988 1.00 62.44 H new ATOM 0 HB3 SER A 11 -1.250 -22.441 1.680 1.00 62.44 H new ATOM 0 HG SER A 11 -0.109 -23.850 3.133 1.00 31.35 H new ATOM 165 N ASP A 12 2.889 -21.681 1.609 1.00 3.23 N ATOM 166 CA ASP A 12 4.258 -21.352 2.073 1.00 5.41 C ATOM 167 C ASP A 12 4.787 -20.082 1.360 1.00 15.41 C ATOM 168 O ASP A 12 5.320 -19.167 2.000 1.00 73.33 O ATOM 169 CB ASP A 12 5.209 -22.541 1.792 1.00 21.23 C ATOM 170 CG ASP A 12 4.647 -23.878 2.295 1.00 54.32 C ATOM 171 OD1 ASP A 12 3.870 -24.523 1.553 1.00 33.40 O ATOM 172 OD2 ASP A 12 4.953 -24.281 3.435 1.00 11.04 O ATOM 0 H ASP A 12 2.817 -22.610 1.193 1.00 3.23 H new ATOM 0 HA ASP A 12 4.222 -21.161 3.145 1.00 5.41 H new ATOM 0 HB2 ASP A 12 5.393 -22.609 0.720 1.00 21.23 H new ATOM 0 HB3 ASP A 12 6.171 -22.353 2.269 1.00 21.23 H new ATOM 177 N GLU A 13 4.599 -20.054 0.022 1.00 11.33 N ATOM 178 CA GLU A 13 4.955 -18.897 -0.825 1.00 31.44 C ATOM 179 C GLU A 13 4.117 -17.660 -0.447 1.00 50.22 C ATOM 180 O GLU A 13 4.667 -16.578 -0.271 1.00 42.23 O ATOM 181 CB GLU A 13 4.743 -19.219 -2.330 1.00 2.33 C ATOM 182 CG GLU A 13 5.531 -20.433 -2.851 1.00 43.33 C ATOM 183 CD GLU A 13 5.333 -20.649 -4.363 1.00 23.45 C ATOM 184 OE1 GLU A 13 4.362 -21.331 -4.754 1.00 5.44 O ATOM 185 OE2 GLU A 13 6.136 -20.119 -5.162 1.00 63.22 O ATOM 0 H GLU A 13 4.196 -20.833 -0.499 1.00 11.33 H new ATOM 0 HA GLU A 13 6.010 -18.682 -0.653 1.00 31.44 H new ATOM 0 HB2 GLU A 13 3.681 -19.392 -2.503 1.00 2.33 H new ATOM 0 HB3 GLU A 13 5.023 -18.344 -2.917 1.00 2.33 H new ATOM 0 HG2 GLU A 13 6.591 -20.293 -2.641 1.00 43.33 H new ATOM 0 HG3 GLU A 13 5.215 -21.327 -2.313 1.00 43.33 H new ATOM 192 N ILE A 14 2.783 -17.859 -0.290 1.00 60.13 N ATOM 193 CA ILE A 14 1.823 -16.757 -0.026 1.00 2.45 C ATOM 194 C ILE A 14 2.175 -16.005 1.277 1.00 32.12 C ATOM 195 O ILE A 14 2.135 -14.793 1.298 1.00 11.02 O ATOM 196 CB ILE A 14 0.324 -17.251 0.048 1.00 0.11 C ATOM 197 CG1 ILE A 14 -0.035 -18.106 -1.207 1.00 11.34 C ATOM 198 CG2 ILE A 14 -0.654 -16.049 0.190 1.00 64.51 C ATOM 199 CD1 ILE A 14 -1.471 -18.618 -1.273 1.00 13.23 C ATOM 0 H ILE A 14 2.346 -18.779 -0.342 1.00 60.13 H new ATOM 0 HA ILE A 14 1.912 -16.080 -0.875 1.00 2.45 H new ATOM 0 HB ILE A 14 0.219 -17.877 0.934 1.00 0.11 H new ATOM 0 HG12 ILE A 14 0.159 -17.509 -2.098 1.00 11.34 H new ATOM 0 HG13 ILE A 14 0.638 -18.962 -1.245 1.00 11.34 H new ATOM 0 HG21 ILE A 14 -1.679 -16.417 0.239 1.00 64.51 H new ATOM 0 HG22 ILE A 14 -0.423 -15.498 1.101 1.00 64.51 H new ATOM 0 HG23 ILE A 14 -0.546 -15.389 -0.671 1.00 64.51 H new ATOM 0 HD11 ILE A 14 -1.609 -19.199 -2.185 1.00 13.23 H new ATOM 0 HD12 ILE A 14 -1.673 -19.249 -0.407 1.00 13.23 H new ATOM 0 HD13 ILE A 14 -2.159 -17.773 -1.274 1.00 13.23 H new ATOM 211 N ASN A 15 2.542 -16.746 2.343 1.00 42.44 N ATOM 212 CA ASN A 15 2.959 -16.155 3.649 1.00 35.11 C ATOM 213 C ASN A 15 4.190 -15.223 3.495 1.00 54.40 C ATOM 214 O ASN A 15 4.247 -14.148 4.101 1.00 54.34 O ATOM 215 CB ASN A 15 3.262 -17.280 4.668 1.00 34.22 C ATOM 216 CG ASN A 15 2.035 -18.124 5.015 1.00 14.43 C ATOM 217 OD1 ASN A 15 0.906 -17.636 5.042 1.00 14.44 O ATOM 218 ND2 ASN A 15 2.243 -19.398 5.270 1.00 43.43 N ATOM 0 H ASN A 15 2.561 -17.766 2.332 1.00 42.44 H new ATOM 0 HA ASN A 15 2.132 -15.547 4.017 1.00 35.11 H new ATOM 0 HB2 ASN A 15 4.039 -17.929 4.263 1.00 34.22 H new ATOM 0 HB3 ASN A 15 3.660 -16.837 5.581 1.00 34.22 H new ATOM 0 HD21 ASN A 15 1.457 -20.008 5.497 1.00 43.43 H new ATOM 0 HD22 ASN A 15 3.190 -19.776 5.240 1.00 43.43 H new ATOM 225 N ALA A 16 5.153 -15.645 2.660 1.00 23.34 N ATOM 226 CA ALA A 16 6.353 -14.839 2.324 1.00 51.32 C ATOM 227 C ALA A 16 5.980 -13.580 1.497 1.00 51.14 C ATOM 228 O ALA A 16 6.527 -12.499 1.718 1.00 32.21 O ATOM 229 CB ALA A 16 7.362 -15.709 1.561 1.00 20.14 C ATOM 0 H ALA A 16 5.128 -16.553 2.196 1.00 23.34 H new ATOM 0 HA ALA A 16 6.806 -14.494 3.253 1.00 51.32 H new ATOM 0 HB1 ALA A 16 8.242 -15.115 1.315 1.00 20.14 H new ATOM 0 HB2 ALA A 16 7.657 -16.554 2.183 1.00 20.14 H new ATOM 0 HB3 ALA A 16 6.904 -16.076 0.642 1.00 20.14 H new ATOM 235 N ILE A 17 5.030 -13.759 0.558 1.00 43.01 N ATOM 236 CA ILE A 17 4.476 -12.678 -0.304 1.00 3.11 C ATOM 237 C ILE A 17 3.700 -11.631 0.539 1.00 35.32 C ATOM 238 O ILE A 17 3.778 -10.431 0.277 1.00 53.14 O ATOM 239 CB ILE A 17 3.548 -13.315 -1.417 1.00 32.40 C ATOM 240 CG1 ILE A 17 4.400 -14.223 -2.366 1.00 32.23 C ATOM 241 CG2 ILE A 17 2.752 -12.251 -2.219 1.00 61.10 C ATOM 242 CD1 ILE A 17 3.607 -15.068 -3.351 1.00 4.23 C ATOM 0 H ILE A 17 4.615 -14.671 0.368 1.00 43.01 H new ATOM 0 HA ILE A 17 5.301 -12.154 -0.787 1.00 3.11 H new ATOM 0 HB ILE A 17 2.803 -13.928 -0.910 1.00 32.40 H new ATOM 0 HG12 ILE A 17 5.085 -13.589 -2.928 1.00 32.23 H new ATOM 0 HG13 ILE A 17 5.010 -14.887 -1.754 1.00 32.23 H new ATOM 0 HG21 ILE A 17 2.134 -12.747 -2.967 1.00 61.10 H new ATOM 0 HG22 ILE A 17 2.115 -11.685 -1.540 1.00 61.10 H new ATOM 0 HG23 ILE A 17 3.447 -11.573 -2.714 1.00 61.10 H new ATOM 0 HD11 ILE A 17 4.293 -15.658 -3.959 1.00 4.23 H new ATOM 0 HD12 ILE A 17 2.941 -15.736 -2.804 1.00 4.23 H new ATOM 0 HD13 ILE A 17 3.018 -14.417 -3.997 1.00 4.23 H new ATOM 254 N ILE A 18 2.985 -12.118 1.566 1.00 14.41 N ATOM 255 CA ILE A 18 2.255 -11.284 2.539 1.00 14.35 C ATOM 256 C ILE A 18 3.237 -10.357 3.292 1.00 55.10 C ATOM 257 O ILE A 18 3.058 -9.145 3.323 1.00 23.23 O ATOM 258 CB ILE A 18 1.456 -12.189 3.565 1.00 0.23 C ATOM 259 CG1 ILE A 18 0.255 -12.912 2.866 1.00 50.53 C ATOM 260 CG2 ILE A 18 0.970 -11.386 4.791 1.00 22.22 C ATOM 261 CD1 ILE A 18 -0.448 -13.966 3.713 1.00 41.13 C ATOM 0 H ILE A 18 2.895 -13.118 1.748 1.00 14.41 H new ATOM 0 HA ILE A 18 1.538 -10.669 1.995 1.00 14.35 H new ATOM 0 HB ILE A 18 2.151 -12.947 3.926 1.00 0.23 H new ATOM 0 HG12 ILE A 18 -0.477 -12.161 2.567 1.00 50.53 H new ATOM 0 HG13 ILE A 18 0.617 -13.385 1.953 1.00 50.53 H new ATOM 0 HG21 ILE A 18 0.427 -12.047 5.467 1.00 22.22 H new ATOM 0 HG22 ILE A 18 1.828 -10.960 5.311 1.00 22.22 H new ATOM 0 HG23 ILE A 18 0.311 -10.583 4.462 1.00 22.22 H new ATOM 0 HD11 ILE A 18 -1.264 -14.408 3.141 1.00 41.13 H new ATOM 0 HD12 ILE A 18 0.264 -14.744 3.991 1.00 41.13 H new ATOM 0 HD13 ILE A 18 -0.847 -13.501 4.614 1.00 41.13 H new ATOM 273 N ARG A 19 4.296 -10.959 3.863 1.00 40.31 N ATOM 274 CA ARG A 19 5.347 -10.223 4.608 1.00 14.32 C ATOM 275 C ARG A 19 6.168 -9.292 3.696 1.00 73.21 C ATOM 276 O ARG A 19 6.719 -8.293 4.162 1.00 61.41 O ATOM 277 CB ARG A 19 6.280 -11.205 5.349 1.00 15.31 C ATOM 278 CG ARG A 19 5.550 -12.116 6.358 1.00 60.23 C ATOM 279 CD ARG A 19 6.507 -12.778 7.347 1.00 12.41 C ATOM 280 NE ARG A 19 7.473 -13.685 6.701 1.00 62.10 N ATOM 281 CZ ARG A 19 8.645 -14.011 7.199 1.00 1.03 C ATOM 282 NH1 ARG A 19 9.044 -13.527 8.339 1.00 13.41 N ATOM 283 NH2 ARG A 19 9.413 -14.828 6.557 1.00 42.10 N ATOM 0 H ARG A 19 4.452 -11.966 3.824 1.00 40.31 H new ATOM 0 HA ARG A 19 4.837 -9.595 5.339 1.00 14.32 H new ATOM 0 HB2 ARG A 19 6.793 -11.828 4.616 1.00 15.31 H new ATOM 0 HB3 ARG A 19 7.046 -10.636 5.876 1.00 15.31 H new ATOM 0 HG2 ARG A 19 4.814 -11.528 6.907 1.00 60.23 H new ATOM 0 HG3 ARG A 19 5.002 -12.887 5.816 1.00 60.23 H new ATOM 0 HD2 ARG A 19 7.051 -12.005 7.889 1.00 12.41 H new ATOM 0 HD3 ARG A 19 5.929 -13.337 8.083 1.00 12.41 H new ATOM 0 HE ARG A 19 7.213 -14.089 5.801 1.00 62.10 H new ATOM 0 HH11 ARG A 19 8.445 -12.886 8.859 1.00 13.41 H new ATOM 0 HH12 ARG A 19 9.956 -13.789 8.713 1.00 13.41 H new ATOM 0 HH21 ARG A 19 9.110 -15.219 5.665 1.00 42.10 H new ATOM 0 HH22 ARG A 19 10.323 -15.082 6.942 1.00 42.10 H new ATOM 297 N ALA A 20 6.262 -9.650 2.408 1.00 5.44 N ATOM 298 CA ALA A 20 6.927 -8.824 1.381 1.00 72.24 C ATOM 299 C ALA A 20 6.117 -7.538 1.098 1.00 15.30 C ATOM 300 O ALA A 20 6.691 -6.449 0.954 1.00 14.41 O ATOM 301 CB ALA A 20 7.135 -9.658 0.110 1.00 34.30 C ATOM 0 H ALA A 20 5.879 -10.523 2.044 1.00 5.44 H new ATOM 0 HA ALA A 20 7.903 -8.508 1.748 1.00 72.24 H new ATOM 0 HB1 ALA A 20 7.626 -9.049 -0.649 1.00 34.30 H new ATOM 0 HB2 ALA A 20 7.758 -10.523 0.340 1.00 34.30 H new ATOM 0 HB3 ALA A 20 6.169 -9.996 -0.265 1.00 34.30 H new ATOM 307 N VAL A 21 4.771 -7.687 1.038 1.00 25.42 N ATOM 308 CA VAL A 21 3.827 -6.548 0.944 1.00 61.25 C ATOM 309 C VAL A 21 3.964 -5.652 2.195 1.00 41.42 C ATOM 310 O VAL A 21 4.263 -4.470 2.076 1.00 30.14 O ATOM 311 CB VAL A 21 2.333 -7.052 0.795 1.00 23.41 C ATOM 312 CG1 VAL A 21 1.307 -5.901 0.970 1.00 74.45 C ATOM 313 CG2 VAL A 21 2.122 -7.770 -0.564 1.00 11.24 C ATOM 0 H VAL A 21 4.311 -8.597 1.053 1.00 25.42 H new ATOM 0 HA VAL A 21 4.076 -5.969 0.054 1.00 61.25 H new ATOM 0 HB VAL A 21 2.158 -7.768 1.598 1.00 23.41 H new ATOM 0 HG11 VAL A 21 0.296 -6.294 0.859 1.00 74.45 H new ATOM 0 HG12 VAL A 21 1.419 -5.461 1.961 1.00 74.45 H new ATOM 0 HG13 VAL A 21 1.484 -5.138 0.212 1.00 74.45 H new ATOM 0 HG21 VAL A 21 1.088 -8.106 -0.641 1.00 11.24 H new ATOM 0 HG22 VAL A 21 2.341 -7.079 -1.378 1.00 11.24 H new ATOM 0 HG23 VAL A 21 2.789 -8.630 -0.629 1.00 11.24 H new ATOM 323 N TYR A 22 3.832 -6.277 3.382 1.00 24.03 N ATOM 324 CA TYR A 22 3.948 -5.602 4.697 1.00 22.52 C ATOM 325 C TYR A 22 5.277 -4.811 4.837 1.00 63.31 C ATOM 326 O TYR A 22 5.271 -3.679 5.315 1.00 44.43 O ATOM 327 CB TYR A 22 3.828 -6.647 5.849 1.00 54.44 C ATOM 328 CG TYR A 22 2.401 -6.934 6.355 1.00 65.31 C ATOM 329 CD1 TYR A 22 1.480 -7.647 5.585 1.00 62.12 C ATOM 330 CD2 TYR A 22 1.996 -6.525 7.634 1.00 23.01 C ATOM 331 CE1 TYR A 22 0.218 -7.943 6.069 1.00 54.32 C ATOM 332 CE2 TYR A 22 0.733 -6.812 8.114 1.00 73.11 C ATOM 333 CZ TYR A 22 -0.149 -7.523 7.332 1.00 40.42 C ATOM 334 OH TYR A 22 -1.396 -7.829 7.816 1.00 51.02 O ATOM 0 H TYR A 22 3.640 -7.276 3.459 1.00 24.03 H new ATOM 0 HA TYR A 22 3.131 -4.884 4.765 1.00 22.52 H new ATOM 0 HB2 TYR A 22 4.267 -7.585 5.509 1.00 54.44 H new ATOM 0 HB3 TYR A 22 4.428 -6.301 6.691 1.00 54.44 H new ATOM 0 HD1 TYR A 22 1.758 -7.973 4.594 1.00 62.12 H new ATOM 0 HD2 TYR A 22 2.686 -5.974 8.256 1.00 23.01 H new ATOM 0 HE1 TYR A 22 -0.478 -8.501 5.460 1.00 54.32 H new ATOM 0 HE2 TYR A 22 0.439 -6.480 9.099 1.00 73.11 H new ATOM 0 HH TYR A 22 -1.444 -8.788 8.013 1.00 51.02 H new ATOM 344 N ARG A 23 6.396 -5.411 4.386 1.00 54.11 N ATOM 345 CA ARG A 23 7.738 -4.797 4.507 1.00 23.41 C ATOM 346 C ARG A 23 7.825 -3.424 3.813 1.00 33.54 C ATOM 347 O ARG A 23 8.291 -2.449 4.418 1.00 62.13 O ATOM 348 CB ARG A 23 8.840 -5.750 3.984 1.00 13.41 C ATOM 349 CG ARG A 23 10.249 -5.114 3.965 1.00 1.33 C ATOM 350 CD ARG A 23 11.397 -6.123 3.763 1.00 45.34 C ATOM 351 NE ARG A 23 12.694 -5.464 3.496 1.00 11.43 N ATOM 352 CZ ARG A 23 13.339 -4.630 4.295 1.00 5.11 C ATOM 353 NH1 ARG A 23 12.862 -4.244 5.439 1.00 75.20 N ATOM 354 NH2 ARG A 23 14.484 -4.179 3.919 1.00 45.10 N ATOM 0 H ARG A 23 6.399 -6.324 3.932 1.00 54.11 H new ATOM 0 HA ARG A 23 7.907 -4.627 5.570 1.00 23.41 H new ATOM 0 HB2 ARG A 23 8.862 -6.644 4.608 1.00 13.41 H new ATOM 0 HB3 ARG A 23 8.582 -6.072 2.975 1.00 13.41 H new ATOM 0 HG2 ARG A 23 10.289 -4.371 3.168 1.00 1.33 H new ATOM 0 HG3 ARG A 23 10.408 -4.583 4.904 1.00 1.33 H new ATOM 0 HD2 ARG A 23 11.487 -6.747 4.652 1.00 45.34 H new ATOM 0 HD3 ARG A 23 11.152 -6.785 2.932 1.00 45.34 H new ATOM 0 HE ARG A 23 13.138 -5.675 2.602 1.00 11.43 H new ATOM 0 HH11 ARG A 23 11.954 -4.586 5.754 1.00 75.20 H new ATOM 0 HH12 ARG A 23 13.395 -3.599 6.022 1.00 75.20 H new ATOM 0 HH21 ARG A 23 14.875 -4.466 3.022 1.00 45.10 H new ATOM 0 HH22 ARG A 23 15.000 -3.535 4.518 1.00 45.10 H new ATOM 368 N GLN A 24 7.383 -3.348 2.549 1.00 50.43 N ATOM 369 CA GLN A 24 7.393 -2.075 1.812 1.00 21.33 C ATOM 370 C GLN A 24 6.263 -1.121 2.278 1.00 74.51 C ATOM 371 O GLN A 24 6.496 0.077 2.371 1.00 64.13 O ATOM 372 CB GLN A 24 7.367 -2.279 0.274 1.00 24.51 C ATOM 373 CG GLN A 24 7.316 -0.943 -0.525 1.00 74.43 C ATOM 374 CD GLN A 24 8.058 -0.942 -1.854 1.00 30.33 C ATOM 375 OE1 GLN A 24 9.069 -1.617 -2.020 1.00 10.24 O ATOM 376 NE2 GLN A 24 7.565 -0.173 -2.808 1.00 41.14 N ATOM 0 H GLN A 24 7.019 -4.141 2.021 1.00 50.43 H new ATOM 0 HA GLN A 24 8.341 -1.594 2.051 1.00 21.33 H new ATOM 0 HB2 GLN A 24 8.252 -2.840 -0.026 1.00 24.51 H new ATOM 0 HB3 GLN A 24 6.501 -2.885 0.010 1.00 24.51 H new ATOM 0 HG2 GLN A 24 6.272 -0.692 -0.712 1.00 74.43 H new ATOM 0 HG3 GLN A 24 7.727 -0.151 0.101 1.00 74.43 H new ATOM 0 HE21 GLN A 24 6.722 0.375 -2.636 1.00 41.14 H new ATOM 0 HE22 GLN A 24 8.027 -0.128 -3.716 1.00 41.14 H new ATOM 385 N VAL A 25 5.058 -1.648 2.605 1.00 43.10 N ATOM 386 CA VAL A 25 3.904 -0.801 3.026 1.00 13.33 C ATOM 387 C VAL A 25 4.189 -0.055 4.351 1.00 42.03 C ATOM 388 O VAL A 25 3.791 1.090 4.500 1.00 0.33 O ATOM 389 CB VAL A 25 2.558 -1.609 3.134 1.00 4.05 C ATOM 390 CG1 VAL A 25 1.395 -0.727 3.672 1.00 72.04 C ATOM 391 CG2 VAL A 25 2.174 -2.219 1.768 1.00 42.54 C ATOM 0 H VAL A 25 4.856 -2.648 2.587 1.00 43.10 H new ATOM 0 HA VAL A 25 3.778 -0.063 2.234 1.00 13.33 H new ATOM 0 HB VAL A 25 2.724 -2.415 3.848 1.00 4.05 H new ATOM 0 HG11 VAL A 25 0.484 -1.323 3.731 1.00 72.04 H new ATOM 0 HG12 VAL A 25 1.650 -0.354 4.664 1.00 72.04 H new ATOM 0 HG13 VAL A 25 1.235 0.115 2.998 1.00 72.04 H new ATOM 0 HG21 VAL A 25 1.240 -2.773 1.866 1.00 42.54 H new ATOM 0 HG22 VAL A 25 2.047 -1.421 1.036 1.00 42.54 H new ATOM 0 HG23 VAL A 25 2.963 -2.894 1.436 1.00 42.54 H new ATOM 401 N LEU A 26 4.871 -0.699 5.310 1.00 43.45 N ATOM 402 CA LEU A 26 5.356 0.006 6.519 1.00 41.22 C ATOM 403 C LEU A 26 6.674 0.774 6.224 1.00 72.23 C ATOM 404 O LEU A 26 6.880 1.887 6.713 1.00 62.42 O ATOM 405 CB LEU A 26 5.523 -0.959 7.735 1.00 72.14 C ATOM 406 CG LEU A 26 4.178 -1.459 8.398 1.00 64.04 C ATOM 407 CD1 LEU A 26 3.646 -2.768 7.769 1.00 52.32 C ATOM 408 CD2 LEU A 26 4.313 -1.587 9.931 1.00 25.13 C ATOM 0 H LEU A 26 5.100 -1.693 5.279 1.00 43.45 H new ATOM 0 HA LEU A 26 4.594 0.734 6.795 1.00 41.22 H new ATOM 0 HB2 LEU A 26 6.093 -1.830 7.410 1.00 72.14 H new ATOM 0 HB3 LEU A 26 6.118 -0.455 8.497 1.00 72.14 H new ATOM 0 HG LEU A 26 3.433 -0.691 8.189 1.00 64.04 H new ATOM 0 HD11 LEU A 26 2.721 -3.061 8.266 1.00 52.32 H new ATOM 0 HD12 LEU A 26 3.453 -2.610 6.708 1.00 52.32 H new ATOM 0 HD13 LEU A 26 4.388 -3.557 7.889 1.00 52.32 H new ATOM 0 HD21 LEU A 26 3.369 -1.933 10.352 1.00 25.13 H new ATOM 0 HD22 LEU A 26 5.100 -2.303 10.168 1.00 25.13 H new ATOM 0 HD23 LEU A 26 4.565 -0.616 10.356 1.00 25.13 H new ATOM 420 N GLY A 27 7.547 0.191 5.390 1.00 14.42 N ATOM 421 CA GLY A 27 8.869 0.781 5.080 1.00 33.43 C ATOM 422 C GLY A 27 9.988 0.179 5.933 1.00 11.14 C ATOM 423 O GLY A 27 11.104 -0.025 5.456 1.00 50.45 O ATOM 0 H GLY A 27 7.366 -0.692 4.913 1.00 14.42 H new ATOM 0 HA2 GLY A 27 9.095 0.625 4.025 1.00 33.43 H new ATOM 0 HA3 GLY A 27 8.831 1.858 5.242 1.00 33.43 H new ATOM 427 N ASN A 28 9.673 -0.081 7.217 1.00 40.33 N ATOM 428 CA ASN A 28 10.541 -0.840 8.156 1.00 31.40 C ATOM 429 C ASN A 28 10.514 -2.361 7.823 1.00 15.43 C ATOM 430 O ASN A 28 10.526 -2.749 6.646 1.00 13.23 O ATOM 431 CB ASN A 28 10.034 -0.578 9.609 1.00 74.32 C ATOM 432 CG ASN A 28 10.101 0.892 10.018 1.00 2.21 C ATOM 433 OD1 ASN A 28 9.164 1.652 9.806 1.00 51.25 O ATOM 434 ND2 ASN A 28 11.198 1.301 10.626 1.00 3.21 N ATOM 0 H ASN A 28 8.800 0.231 7.642 1.00 40.33 H new ATOM 0 HA ASN A 28 11.574 -0.507 8.061 1.00 31.40 H new ATOM 0 HB2 ASN A 28 9.004 -0.925 9.695 1.00 74.32 H new ATOM 0 HB3 ASN A 28 10.629 -1.169 10.306 1.00 74.32 H new ATOM 0 HD21 ASN A 28 11.280 2.271 10.932 1.00 3.21 H new ATOM 0 HD22 ASN A 28 11.964 0.648 10.790 1.00 3.21 H new ATOM 441 N ASP A 29 10.545 -3.239 8.855 1.00 3.01 N ATOM 442 CA ASP A 29 10.081 -4.626 8.691 1.00 64.13 C ATOM 443 C ASP A 29 8.531 -4.581 8.590 1.00 21.42 C ATOM 444 O ASP A 29 8.001 -4.286 7.528 1.00 71.23 O ATOM 445 CB ASP A 29 10.572 -5.539 9.852 1.00 53.12 C ATOM 446 CG ASP A 29 12.078 -5.385 10.129 1.00 11.31 C ATOM 447 OD1 ASP A 29 12.457 -4.476 10.902 1.00 50.54 O ATOM 448 OD2 ASP A 29 12.888 -6.149 9.563 1.00 12.35 O ATOM 0 H ASP A 29 10.881 -3.011 9.791 1.00 3.01 H new ATOM 0 HA ASP A 29 10.500 -5.066 7.786 1.00 64.13 H new ATOM 0 HB2 ASP A 29 10.014 -5.301 10.757 1.00 53.12 H new ATOM 0 HB3 ASP A 29 10.356 -6.579 9.608 1.00 53.12 H new ATOM 453 N TYR A 30 7.824 -4.761 9.723 1.00 72.11 N ATOM 454 CA TYR A 30 6.337 -4.763 9.781 1.00 53.52 C ATOM 455 C TYR A 30 5.856 -5.015 11.219 1.00 53.51 C ATOM 456 O TYR A 30 6.655 -5.319 12.112 1.00 53.22 O ATOM 457 CB TYR A 30 5.711 -5.825 8.819 1.00 22.03 C ATOM 458 CG TYR A 30 6.338 -7.217 8.937 1.00 3.34 C ATOM 459 CD1 TYR A 30 6.060 -8.041 10.021 1.00 23.11 C ATOM 460 CD2 TYR A 30 7.251 -7.677 7.988 1.00 13.42 C ATOM 461 CE1 TYR A 30 6.666 -9.257 10.164 1.00 23.41 C ATOM 462 CE2 TYR A 30 7.851 -8.902 8.119 1.00 2.21 C ATOM 463 CZ TYR A 30 7.565 -9.691 9.211 1.00 52.43 C ATOM 464 OH TYR A 30 8.202 -10.903 9.367 1.00 24.42 O ATOM 0 H TYR A 30 8.264 -4.910 10.631 1.00 72.11 H new ATOM 0 HA TYR A 30 6.003 -3.779 9.452 1.00 53.52 H new ATOM 0 HB2 TYR A 30 4.643 -5.900 9.023 1.00 22.03 H new ATOM 0 HB3 TYR A 30 5.816 -5.476 7.792 1.00 22.03 H new ATOM 0 HD1 TYR A 30 5.350 -7.713 10.766 1.00 23.11 H new ATOM 0 HD2 TYR A 30 7.489 -7.057 7.136 1.00 13.42 H new ATOM 0 HE1 TYR A 30 6.442 -9.877 11.020 1.00 23.41 H new ATOM 0 HE2 TYR A 30 8.546 -9.248 7.368 1.00 2.21 H new ATOM 0 HH TYR A 30 7.743 -11.427 10.056 1.00 24.42 H new ATOM 474 N VAL A 31 4.535 -4.924 11.421 1.00 34.32 N ATOM 475 CA VAL A 31 3.892 -5.262 12.703 1.00 55.11 C ATOM 476 C VAL A 31 2.952 -6.479 12.516 1.00 3.43 C ATOM 477 O VAL A 31 1.863 -6.358 11.940 1.00 73.41 O ATOM 478 CB VAL A 31 3.102 -4.038 13.290 1.00 23.11 C ATOM 479 CG1 VAL A 31 2.486 -4.392 14.656 1.00 3.14 C ATOM 480 CG2 VAL A 31 3.999 -2.787 13.405 1.00 30.23 C ATOM 0 H VAL A 31 3.880 -4.615 10.703 1.00 34.32 H new ATOM 0 HA VAL A 31 4.673 -5.521 13.418 1.00 55.11 H new ATOM 0 HB VAL A 31 2.295 -3.803 12.596 1.00 23.11 H new ATOM 0 HG11 VAL A 31 1.943 -3.530 15.045 1.00 3.14 H new ATOM 0 HG12 VAL A 31 1.800 -5.231 14.539 1.00 3.14 H new ATOM 0 HG13 VAL A 31 3.278 -4.666 15.352 1.00 3.14 H new ATOM 0 HG21 VAL A 31 3.419 -1.960 13.815 1.00 30.23 H new ATOM 0 HG22 VAL A 31 4.840 -3.002 14.064 1.00 30.23 H new ATOM 0 HG23 VAL A 31 4.372 -2.515 12.418 1.00 30.23 H new ATOM 490 N MET A 32 3.409 -7.654 12.977 1.00 43.53 N ATOM 491 CA MET A 32 2.636 -8.922 12.926 1.00 24.44 C ATOM 492 C MET A 32 2.548 -9.629 14.297 1.00 40.25 C ATOM 493 O MET A 32 1.664 -10.464 14.510 1.00 1.31 O ATOM 494 CB MET A 32 3.253 -9.886 11.883 1.00 13.23 C ATOM 495 CG MET A 32 2.908 -9.557 10.429 1.00 31.24 C ATOM 496 SD MET A 32 3.521 -10.822 9.295 1.00 70.23 S ATOM 497 CE MET A 32 2.635 -10.386 7.807 1.00 30.30 C ATOM 0 H MET A 32 4.331 -7.760 13.400 1.00 43.53 H new ATOM 0 HA MET A 32 1.621 -8.655 12.634 1.00 24.44 H new ATOM 0 HB2 MET A 32 4.337 -9.877 11.996 1.00 13.23 H new ATOM 0 HB3 MET A 32 2.918 -10.900 12.102 1.00 13.23 H new ATOM 0 HG2 MET A 32 1.827 -9.466 10.323 1.00 31.24 H new ATOM 0 HG3 MET A 32 3.337 -8.591 10.163 1.00 31.24 H new ATOM 0 HE1 MET A 32 2.198 -11.283 7.368 1.00 30.30 H new ATOM 0 HE2 MET A 32 1.843 -9.678 8.050 1.00 30.30 H new ATOM 0 HE3 MET A 32 3.323 -9.931 7.094 1.00 30.30 H new ATOM 507 N SER A 33 3.478 -9.301 15.209 1.00 0.32 N ATOM 508 CA SER A 33 3.552 -9.903 16.573 1.00 63.33 C ATOM 509 C SER A 33 2.290 -9.620 17.442 1.00 20.53 C ATOM 510 O SER A 33 2.003 -10.355 18.394 1.00 62.14 O ATOM 511 CB SER A 33 4.827 -9.392 17.282 1.00 73.14 C ATOM 512 OG SER A 33 4.883 -7.973 17.277 1.00 40.52 O ATOM 0 H SER A 33 4.207 -8.610 15.032 1.00 0.32 H new ATOM 0 HA SER A 33 3.593 -10.985 16.452 1.00 63.33 H new ATOM 0 HB2 SER A 33 4.846 -9.756 18.309 1.00 73.14 H new ATOM 0 HB3 SER A 33 5.709 -9.795 16.785 1.00 73.14 H new ATOM 0 HG SER A 33 5.698 -7.676 17.733 1.00 40.52 H new ATOM 518 N THR A 34 1.553 -8.556 17.096 1.00 73.10 N ATOM 519 CA THR A 34 0.265 -8.190 17.746 1.00 11.33 C ATOM 520 C THR A 34 -0.936 -8.588 16.829 1.00 63.15 C ATOM 521 O THR A 34 -0.794 -9.467 15.964 1.00 44.50 O ATOM 522 CB THR A 34 0.260 -6.649 18.062 1.00 11.33 C ATOM 523 OG1 THR A 34 -0.870 -6.296 18.877 1.00 30.42 O ATOM 524 CG2 THR A 34 0.246 -5.805 16.781 1.00 62.50 C ATOM 0 H THR A 34 1.827 -7.913 16.353 1.00 73.10 H new ATOM 0 HA THR A 34 0.158 -8.736 18.683 1.00 11.33 H new ATOM 0 HB THR A 34 1.180 -6.436 18.606 1.00 11.33 H new ATOM 0 HG1 THR A 34 -0.852 -5.334 19.062 1.00 30.42 H new ATOM 0 HG21 THR A 34 0.243 -4.747 17.042 1.00 62.50 H new ATOM 0 HG22 THR A 34 1.132 -6.030 16.188 1.00 62.50 H new ATOM 0 HG23 THR A 34 -0.647 -6.038 16.201 1.00 62.50 H new ATOM 532 N GLU A 35 -2.117 -7.960 17.035 1.00 5.22 N ATOM 533 CA GLU A 35 -3.306 -8.135 16.171 1.00 22.34 C ATOM 534 C GLU A 35 -3.071 -7.551 14.748 1.00 4.42 C ATOM 535 O GLU A 35 -3.399 -6.392 14.477 1.00 65.53 O ATOM 536 CB GLU A 35 -4.540 -7.461 16.838 1.00 2.44 C ATOM 537 CG GLU A 35 -4.841 -7.954 18.265 1.00 24.45 C ATOM 538 CD GLU A 35 -6.027 -7.224 18.919 1.00 14.33 C ATOM 539 OE1 GLU A 35 -5.824 -6.145 19.512 1.00 74.42 O ATOM 540 OE2 GLU A 35 -7.172 -7.719 18.824 1.00 14.54 O ATOM 0 H GLU A 35 -2.272 -7.315 17.809 1.00 5.22 H new ATOM 0 HA GLU A 35 -3.492 -9.203 16.058 1.00 22.34 H new ATOM 0 HB2 GLU A 35 -4.379 -6.383 16.866 1.00 2.44 H new ATOM 0 HB3 GLU A 35 -5.416 -7.637 16.214 1.00 2.44 H new ATOM 0 HG2 GLU A 35 -5.051 -9.023 18.237 1.00 24.45 H new ATOM 0 HG3 GLU A 35 -3.954 -7.820 18.884 1.00 24.45 H new ATOM 547 N ARG A 36 -2.458 -8.363 13.872 1.00 50.03 N ATOM 548 CA ARG A 36 -2.240 -8.032 12.439 1.00 71.44 C ATOM 549 C ARG A 36 -3.538 -8.295 11.613 1.00 51.53 C ATOM 550 O ARG A 36 -4.581 -8.645 12.185 1.00 41.13 O ATOM 551 CB ARG A 36 -1.060 -8.889 11.904 1.00 11.34 C ATOM 552 CG ARG A 36 -1.359 -10.405 11.850 1.00 51.33 C ATOM 553 CD ARG A 36 -0.123 -11.278 11.531 1.00 52.40 C ATOM 554 NE ARG A 36 -0.449 -12.423 10.661 1.00 53.31 N ATOM 555 CZ ARG A 36 -0.328 -13.693 10.941 1.00 41.34 C ATOM 556 NH1 ARG A 36 0.026 -14.095 12.116 1.00 40.32 N ATOM 557 NH2 ARG A 36 -0.587 -14.562 10.020 1.00 55.13 N ATOM 0 H ARG A 36 -2.093 -9.279 14.133 1.00 50.03 H new ATOM 0 HA ARG A 36 -1.995 -6.975 12.338 1.00 71.44 H new ATOM 0 HB2 ARG A 36 -0.798 -8.545 10.903 1.00 11.34 H new ATOM 0 HB3 ARG A 36 -0.188 -8.723 12.536 1.00 11.34 H new ATOM 0 HG2 ARG A 36 -1.774 -10.717 12.808 1.00 51.33 H new ATOM 0 HG3 ARG A 36 -2.125 -10.587 11.096 1.00 51.33 H new ATOM 0 HD2 ARG A 36 0.637 -10.664 11.048 1.00 52.40 H new ATOM 0 HD3 ARG A 36 0.309 -11.645 12.462 1.00 52.40 H new ATOM 0 HE ARG A 36 -0.810 -12.197 9.734 1.00 53.31 H new ATOM 0 HH11 ARG A 36 0.218 -13.415 12.851 1.00 40.32 H new ATOM 0 HH12 ARG A 36 0.113 -15.093 12.309 1.00 40.32 H new ATOM 0 HH21 ARG A 36 -0.880 -14.251 9.094 1.00 55.13 H new ATOM 0 HH22 ARG A 36 -0.498 -15.558 10.219 1.00 55.13 H new ATOM 571 N LEU A 37 -3.474 -8.160 10.270 1.00 10.45 N ATOM 572 CA LEU A 37 -4.656 -8.374 9.385 1.00 32.34 C ATOM 573 C LEU A 37 -4.801 -9.866 8.991 1.00 11.32 C ATOM 574 O LEU A 37 -4.857 -10.207 7.806 1.00 32.41 O ATOM 575 CB LEU A 37 -4.596 -7.474 8.114 1.00 11.11 C ATOM 576 CG LEU A 37 -4.639 -5.926 8.343 1.00 54.11 C ATOM 577 CD1 LEU A 37 -3.293 -5.373 8.864 1.00 55.22 C ATOM 578 CD2 LEU A 37 -5.089 -5.193 7.061 1.00 11.43 C ATOM 0 H LEU A 37 -2.622 -7.905 9.770 1.00 10.45 H new ATOM 0 HA LEU A 37 -5.539 -8.085 9.956 1.00 32.34 H new ATOM 0 HB2 LEU A 37 -3.681 -7.712 7.572 1.00 11.11 H new ATOM 0 HB3 LEU A 37 -5.430 -7.745 7.466 1.00 11.11 H new ATOM 0 HG LEU A 37 -5.378 -5.736 9.122 1.00 54.11 H new ATOM 0 HD11 LEU A 37 -3.373 -4.295 9.007 1.00 55.22 H new ATOM 0 HD12 LEU A 37 -3.048 -5.848 9.814 1.00 55.22 H new ATOM 0 HD13 LEU A 37 -2.507 -5.585 8.139 1.00 55.22 H new ATOM 0 HD21 LEU A 37 -5.111 -4.119 7.245 1.00 11.43 H new ATOM 0 HD22 LEU A 37 -4.389 -5.409 6.254 1.00 11.43 H new ATOM 0 HD23 LEU A 37 -6.085 -5.533 6.778 1.00 11.43 H new ATOM 590 N THR A 38 -4.916 -10.733 10.016 1.00 54.41 N ATOM 591 CA THR A 38 -5.009 -12.211 9.863 1.00 53.21 C ATOM 592 C THR A 38 -6.166 -12.649 8.932 1.00 45.41 C ATOM 593 O THR A 38 -6.028 -13.608 8.170 1.00 4.32 O ATOM 594 CB THR A 38 -5.216 -12.904 11.251 1.00 31.02 C ATOM 595 OG1 THR A 38 -6.373 -12.344 11.905 1.00 4.20 O ATOM 596 CG2 THR A 38 -3.994 -12.755 12.170 1.00 52.33 C ATOM 0 H THR A 38 -4.948 -10.429 10.989 1.00 54.41 H new ATOM 0 HA THR A 38 -4.065 -12.520 9.414 1.00 53.21 H new ATOM 0 HB THR A 38 -5.360 -13.968 11.062 1.00 31.02 H new ATOM 0 HG1 THR A 38 -6.502 -12.781 12.773 1.00 4.20 H new ATOM 0 HG21 THR A 38 -4.190 -13.253 13.119 1.00 52.33 H new ATOM 0 HG22 THR A 38 -3.124 -13.208 11.695 1.00 52.33 H new ATOM 0 HG23 THR A 38 -3.800 -11.697 12.349 1.00 52.33 H new ATOM 604 N SER A 39 -7.299 -11.928 9.019 1.00 50.11 N ATOM 605 CA SER A 39 -8.504 -12.187 8.194 1.00 31.21 C ATOM 606 C SER A 39 -8.242 -11.912 6.693 1.00 71.44 C ATOM 607 O SER A 39 -8.590 -12.730 5.836 1.00 65.30 O ATOM 608 CB SER A 39 -9.687 -11.323 8.692 1.00 54.14 C ATOM 609 OG SER A 39 -10.856 -11.549 7.927 1.00 34.44 O ATOM 0 H SER A 39 -7.410 -11.146 9.664 1.00 50.11 H new ATOM 0 HA SER A 39 -8.756 -13.242 8.300 1.00 31.21 H new ATOM 0 HB2 SER A 39 -9.888 -11.549 9.739 1.00 54.14 H new ATOM 0 HB3 SER A 39 -9.416 -10.269 8.640 1.00 54.14 H new ATOM 0 HG SER A 39 -11.584 -10.989 8.269 1.00 34.44 H new ATOM 615 N ALA A 40 -7.597 -10.761 6.397 1.00 42.15 N ATOM 616 CA ALA A 40 -7.254 -10.355 5.004 1.00 44.30 C ATOM 617 C ALA A 40 -6.191 -11.301 4.387 1.00 15.52 C ATOM 618 O ALA A 40 -6.256 -11.646 3.203 1.00 41.44 O ATOM 619 CB ALA A 40 -6.761 -8.894 4.977 1.00 23.54 C ATOM 0 H ALA A 40 -7.300 -10.090 7.105 1.00 42.15 H new ATOM 0 HA ALA A 40 -8.157 -10.431 4.399 1.00 44.30 H new ATOM 0 HB1 ALA A 40 -6.514 -8.612 3.953 1.00 23.54 H new ATOM 0 HB2 ALA A 40 -7.545 -8.238 5.355 1.00 23.54 H new ATOM 0 HB3 ALA A 40 -5.874 -8.798 5.603 1.00 23.54 H new ATOM 625 N GLU A 41 -5.217 -11.705 5.220 1.00 12.32 N ATOM 626 CA GLU A 41 -4.181 -12.703 4.866 1.00 14.23 C ATOM 627 C GLU A 41 -4.798 -14.078 4.536 1.00 75.12 C ATOM 628 O GLU A 41 -4.377 -14.737 3.588 1.00 62.11 O ATOM 629 CB GLU A 41 -3.179 -12.833 6.037 1.00 43.43 C ATOM 630 CG GLU A 41 -2.373 -11.544 6.305 1.00 43.30 C ATOM 631 CD GLU A 41 -1.463 -11.634 7.536 1.00 72.13 C ATOM 632 OE1 GLU A 41 -0.671 -12.601 7.632 1.00 52.12 O ATOM 633 OE2 GLU A 41 -1.543 -10.750 8.419 1.00 33.12 O ATOM 0 H GLU A 41 -5.122 -11.346 6.170 1.00 12.32 H new ATOM 0 HA GLU A 41 -3.664 -12.358 3.971 1.00 14.23 H new ATOM 0 HB2 GLU A 41 -3.723 -13.106 6.941 1.00 43.43 H new ATOM 0 HB3 GLU A 41 -2.486 -13.647 5.823 1.00 43.43 H new ATOM 0 HG2 GLU A 41 -1.765 -11.317 5.430 1.00 43.30 H new ATOM 0 HG3 GLU A 41 -3.066 -10.713 6.436 1.00 43.30 H new ATOM 640 N SER A 42 -5.807 -14.485 5.330 1.00 71.43 N ATOM 641 CA SER A 42 -6.575 -15.732 5.091 1.00 11.01 C ATOM 642 C SER A 42 -7.340 -15.679 3.747 1.00 2.13 C ATOM 643 O SER A 42 -7.443 -16.691 3.047 1.00 34.22 O ATOM 644 CB SER A 42 -7.556 -16.007 6.259 1.00 24.30 C ATOM 645 OG SER A 42 -6.864 -16.250 7.475 1.00 35.12 O ATOM 0 H SER A 42 -6.115 -13.965 6.152 1.00 71.43 H new ATOM 0 HA SER A 42 -5.858 -16.551 5.037 1.00 11.01 H new ATOM 0 HB2 SER A 42 -8.223 -15.154 6.383 1.00 24.30 H new ATOM 0 HB3 SER A 42 -8.180 -16.867 6.016 1.00 24.30 H new ATOM 0 HG SER A 42 -6.516 -15.405 7.828 1.00 35.12 H new ATOM 651 N LEU A 43 -7.855 -14.479 3.389 1.00 44.21 N ATOM 652 CA LEU A 43 -8.536 -14.247 2.092 1.00 24.40 C ATOM 653 C LEU A 43 -7.546 -14.329 0.903 1.00 31.11 C ATOM 654 O LEU A 43 -7.900 -14.835 -0.156 1.00 23.00 O ATOM 655 CB LEU A 43 -9.259 -12.870 2.079 1.00 64.34 C ATOM 656 CG LEU A 43 -10.443 -12.690 3.085 1.00 0.23 C ATOM 657 CD1 LEU A 43 -11.081 -11.288 2.946 1.00 52.24 C ATOM 658 CD2 LEU A 43 -11.497 -13.809 2.920 1.00 10.55 C ATOM 0 H LEU A 43 -7.811 -13.652 3.984 1.00 44.21 H new ATOM 0 HA LEU A 43 -9.277 -15.038 1.976 1.00 24.40 H new ATOM 0 HB2 LEU A 43 -8.519 -12.095 2.281 1.00 64.34 H new ATOM 0 HB3 LEU A 43 -9.638 -12.694 1.072 1.00 64.34 H new ATOM 0 HG LEU A 43 -10.038 -12.771 4.094 1.00 0.23 H new ATOM 0 HD11 LEU A 43 -11.901 -11.190 3.657 1.00 52.24 H new ATOM 0 HD12 LEU A 43 -10.330 -10.525 3.150 1.00 52.24 H new ATOM 0 HD13 LEU A 43 -11.462 -11.160 1.933 1.00 52.24 H new ATOM 0 HD21 LEU A 43 -12.306 -13.655 3.634 1.00 10.55 H new ATOM 0 HD22 LEU A 43 -11.897 -13.785 1.906 1.00 10.55 H new ATOM 0 HD23 LEU A 43 -11.031 -14.777 3.103 1.00 10.55 H new ATOM 670 N LEU A 44 -6.310 -13.822 1.084 1.00 22.41 N ATOM 671 CA LEU A 44 -5.259 -13.897 0.036 1.00 5.53 C ATOM 672 C LEU A 44 -4.801 -15.365 -0.174 1.00 40.24 C ATOM 673 O LEU A 44 -4.613 -15.810 -1.310 1.00 5.21 O ATOM 674 CB LEU A 44 -4.044 -12.994 0.396 1.00 25.11 C ATOM 675 CG LEU A 44 -2.969 -12.829 -0.734 1.00 62.03 C ATOM 676 CD1 LEU A 44 -3.546 -12.095 -1.970 1.00 13.50 C ATOM 677 CD2 LEU A 44 -1.692 -12.136 -0.206 1.00 71.14 C ATOM 0 H LEU A 44 -6.011 -13.357 1.941 1.00 22.41 H new ATOM 0 HA LEU A 44 -5.688 -13.530 -0.896 1.00 5.53 H new ATOM 0 HB2 LEU A 44 -4.415 -12.006 0.667 1.00 25.11 H new ATOM 0 HB3 LEU A 44 -3.557 -13.405 1.280 1.00 25.11 H new ATOM 0 HG LEU A 44 -2.685 -13.830 -1.058 1.00 62.03 H new ATOM 0 HD11 LEU A 44 -2.771 -12.000 -2.731 1.00 13.50 H new ATOM 0 HD12 LEU A 44 -4.383 -12.665 -2.373 1.00 13.50 H new ATOM 0 HD13 LEU A 44 -3.890 -11.103 -1.676 1.00 13.50 H new ATOM 0 HD21 LEU A 44 -0.969 -12.039 -1.016 1.00 71.14 H new ATOM 0 HD22 LEU A 44 -1.946 -11.147 0.175 1.00 71.14 H new ATOM 0 HD23 LEU A 44 -1.259 -12.733 0.596 1.00 71.14 H new ATOM 689 N ARG A 45 -4.653 -16.110 0.941 1.00 32.31 N ATOM 690 CA ARG A 45 -4.328 -17.559 0.919 1.00 3.12 C ATOM 691 C ARG A 45 -5.479 -18.401 0.308 1.00 61.32 C ATOM 692 O ARG A 45 -5.236 -19.452 -0.290 1.00 24.31 O ATOM 693 CB ARG A 45 -3.984 -18.068 2.347 1.00 65.04 C ATOM 694 CG ARG A 45 -2.726 -17.421 2.974 1.00 75.21 C ATOM 695 CD ARG A 45 -2.382 -17.988 4.362 1.00 63.14 C ATOM 696 NE ARG A 45 -3.462 -17.788 5.350 1.00 14.13 N ATOM 697 CZ ARG A 45 -3.320 -17.852 6.657 1.00 42.43 C ATOM 698 NH1 ARG A 45 -2.165 -18.094 7.200 1.00 54.11 N ATOM 699 NH2 ARG A 45 -4.350 -17.690 7.416 1.00 15.23 N ATOM 0 H ARG A 45 -4.754 -15.729 1.882 1.00 32.31 H new ATOM 0 HA ARG A 45 -3.453 -17.684 0.281 1.00 3.12 H new ATOM 0 HB2 ARG A 45 -4.836 -17.882 3.000 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -3.841 -19.148 2.309 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -1.877 -17.571 2.307 1.00 75.21 H new ATOM 0 HG3 ARG A 45 -2.881 -16.345 3.056 1.00 75.21 H new ATOM 0 HD2 ARG A 45 -2.172 -19.054 4.271 1.00 63.14 H new ATOM 0 HD3 ARG A 45 -1.471 -17.514 4.727 1.00 63.14 H new ATOM 0 HE ARG A 45 -4.394 -17.584 4.990 1.00 14.13 H new ATOM 0 HH11 ARG A 45 -1.345 -18.239 6.611 1.00 54.11 H new ATOM 0 HH12 ARG A 45 -2.078 -18.139 8.215 1.00 54.11 H new ATOM 0 HH21 ARG A 45 -5.266 -17.514 7.002 1.00 15.23 H new ATOM 0 HH22 ARG A 45 -4.249 -17.738 8.430 1.00 15.23 H new ATOM 713 N GLY A 46 -6.731 -17.924 0.472 1.00 10.32 N ATOM 714 CA GLY A 46 -7.915 -18.575 -0.123 1.00 60.15 C ATOM 715 C GLY A 46 -8.243 -18.087 -1.541 1.00 3.22 C ATOM 716 O GLY A 46 -9.177 -18.596 -2.172 1.00 54.33 O ATOM 0 H GLY A 46 -6.947 -17.087 1.014 1.00 10.32 H new ATOM 0 HA2 GLY A 46 -7.751 -19.652 -0.148 1.00 60.15 H new ATOM 0 HA3 GLY A 46 -8.777 -18.398 0.520 1.00 60.15 H new ATOM 720 N GLY A 47 -7.480 -17.085 -2.037 1.00 35.11 N ATOM 721 CA GLY A 47 -7.692 -16.513 -3.381 1.00 14.10 C ATOM 722 C GLY A 47 -8.954 -15.641 -3.516 1.00 5.40 C ATOM 723 O GLY A 47 -9.371 -15.321 -4.631 1.00 43.11 O ATOM 0 H GLY A 47 -6.711 -16.657 -1.522 1.00 35.11 H new ATOM 0 HA2 GLY A 47 -6.822 -15.913 -3.647 1.00 14.10 H new ATOM 0 HA3 GLY A 47 -7.751 -17.328 -4.103 1.00 14.10 H new ATOM 727 N GLU A 48 -9.541 -15.249 -2.370 1.00 4.11 N ATOM 728 CA GLU A 48 -10.779 -14.436 -2.319 1.00 60.33 C ATOM 729 C GLU A 48 -10.512 -12.961 -2.697 1.00 1.23 C ATOM 730 O GLU A 48 -11.386 -12.288 -3.252 1.00 34.44 O ATOM 731 CB GLU A 48 -11.381 -14.499 -0.890 1.00 43.30 C ATOM 732 CG GLU A 48 -11.781 -15.910 -0.403 1.00 31.44 C ATOM 733 CD GLU A 48 -12.907 -16.549 -1.237 1.00 40.31 C ATOM 734 OE1 GLU A 48 -14.013 -15.975 -1.287 1.00 60.24 O ATOM 735 OE2 GLU A 48 -12.696 -17.621 -1.841 1.00 12.30 O ATOM 0 H GLU A 48 -9.172 -15.486 -1.449 1.00 4.11 H new ATOM 0 HA GLU A 48 -11.480 -14.849 -3.045 1.00 60.33 H new ATOM 0 HB2 GLU A 48 -10.657 -14.083 -0.190 1.00 43.30 H new ATOM 0 HB3 GLU A 48 -12.262 -13.858 -0.856 1.00 43.30 H new ATOM 0 HG2 GLU A 48 -10.905 -16.558 -0.432 1.00 31.44 H new ATOM 0 HG3 GLU A 48 -12.099 -15.850 0.638 1.00 31.44 H new ATOM 742 N ILE A 49 -9.300 -12.463 -2.385 1.00 32.13 N ATOM 743 CA ILE A 49 -8.870 -11.091 -2.747 1.00 34.24 C ATOM 744 C ILE A 49 -7.622 -11.131 -3.656 1.00 22.02 C ATOM 745 O ILE A 49 -6.867 -12.116 -3.669 1.00 33.24 O ATOM 746 CB ILE A 49 -8.584 -10.197 -1.477 1.00 61.22 C ATOM 747 CG1 ILE A 49 -7.370 -10.736 -0.653 1.00 52.54 C ATOM 748 CG2 ILE A 49 -9.855 -10.065 -0.592 1.00 71.13 C ATOM 749 CD1 ILE A 49 -7.004 -9.895 0.559 1.00 32.02 C ATOM 0 H ILE A 49 -8.592 -12.994 -1.878 1.00 32.13 H new ATOM 0 HA ILE A 49 -9.697 -10.635 -3.291 1.00 34.24 H new ATOM 0 HB ILE A 49 -8.316 -9.201 -1.829 1.00 61.22 H new ATOM 0 HG12 ILE A 49 -7.595 -11.750 -0.321 1.00 52.54 H new ATOM 0 HG13 ILE A 49 -6.502 -10.801 -1.309 1.00 52.54 H new ATOM 0 HG21 ILE A 49 -9.631 -9.445 0.276 1.00 71.13 H new ATOM 0 HG22 ILE A 49 -10.655 -9.604 -1.171 1.00 71.13 H new ATOM 0 HG23 ILE A 49 -10.171 -11.054 -0.259 1.00 71.13 H new ATOM 0 HD11 ILE A 49 -6.152 -10.344 1.070 1.00 32.02 H new ATOM 0 HD12 ILE A 49 -6.744 -8.887 0.237 1.00 32.02 H new ATOM 0 HD13 ILE A 49 -7.853 -9.850 1.241 1.00 32.02 H new ATOM 761 N SER A 50 -7.434 -10.054 -4.432 1.00 73.31 N ATOM 762 CA SER A 50 -6.265 -9.882 -5.323 1.00 22.14 C ATOM 763 C SER A 50 -5.086 -9.241 -4.563 1.00 62.22 C ATOM 764 O SER A 50 -5.269 -8.704 -3.467 1.00 1.53 O ATOM 765 CB SER A 50 -6.653 -9.016 -6.541 1.00 11.33 C ATOM 766 OG SER A 50 -7.728 -9.600 -7.262 1.00 0.51 O ATOM 0 H SER A 50 -8.088 -9.272 -4.463 1.00 73.31 H new ATOM 0 HA SER A 50 -5.949 -10.865 -5.673 1.00 22.14 H new ATOM 0 HB2 SER A 50 -6.935 -8.018 -6.206 1.00 11.33 H new ATOM 0 HB3 SER A 50 -5.791 -8.900 -7.198 1.00 11.33 H new ATOM 0 HG SER A 50 -7.956 -9.032 -8.027 1.00 0.51 H new ATOM 772 N VAL A 51 -3.877 -9.295 -5.162 1.00 23.31 N ATOM 773 CA VAL A 51 -2.645 -8.740 -4.542 1.00 62.13 C ATOM 774 C VAL A 51 -2.739 -7.207 -4.368 1.00 30.45 C ATOM 775 O VAL A 51 -2.424 -6.689 -3.300 1.00 75.04 O ATOM 776 CB VAL A 51 -1.359 -9.102 -5.376 1.00 14.45 C ATOM 777 CG1 VAL A 51 -0.053 -8.571 -4.707 1.00 50.33 C ATOM 778 CG2 VAL A 51 -1.281 -10.627 -5.627 1.00 24.42 C ATOM 0 H VAL A 51 -3.723 -9.718 -6.077 1.00 23.31 H new ATOM 0 HA VAL A 51 -2.559 -9.199 -3.557 1.00 62.13 H new ATOM 0 HB VAL A 51 -1.445 -8.599 -6.339 1.00 14.45 H new ATOM 0 HG11 VAL A 51 0.807 -8.845 -5.319 1.00 50.33 H new ATOM 0 HG12 VAL A 51 -0.105 -7.486 -4.619 1.00 50.33 H new ATOM 0 HG13 VAL A 51 0.052 -9.011 -3.715 1.00 50.33 H new ATOM 0 HG21 VAL A 51 -0.385 -10.855 -6.205 1.00 24.42 H new ATOM 0 HG22 VAL A 51 -1.240 -11.151 -4.672 1.00 24.42 H new ATOM 0 HG23 VAL A 51 -2.162 -10.950 -6.181 1.00 24.42 H new ATOM 788 N ARG A 52 -3.188 -6.500 -5.428 1.00 35.43 N ATOM 789 CA ARG A 52 -3.357 -5.022 -5.407 1.00 50.12 C ATOM 790 C ARG A 52 -4.339 -4.568 -4.289 1.00 75.53 C ATOM 791 O ARG A 52 -4.087 -3.583 -3.579 1.00 21.34 O ATOM 792 CB ARG A 52 -3.838 -4.502 -6.800 1.00 33.31 C ATOM 793 CG ARG A 52 -3.611 -2.981 -7.047 1.00 53.14 C ATOM 794 CD ARG A 52 -2.172 -2.646 -7.514 1.00 64.41 C ATOM 795 NE ARG A 52 -1.131 -3.212 -6.621 1.00 32.55 N ATOM 796 CZ ARG A 52 0.065 -3.599 -7.001 1.00 71.00 C ATOM 797 NH1 ARG A 52 0.553 -3.223 -8.134 1.00 44.11 N ATOM 798 NH2 ARG A 52 0.815 -4.268 -6.187 1.00 73.33 N ATOM 0 H ARG A 52 -3.443 -6.929 -6.318 1.00 35.43 H new ATOM 0 HA ARG A 52 -2.382 -4.586 -5.186 1.00 50.12 H new ATOM 0 HB2 ARG A 52 -3.321 -5.063 -7.579 1.00 33.31 H new ATOM 0 HB3 ARG A 52 -4.901 -4.717 -6.904 1.00 33.31 H new ATOM 0 HG2 ARG A 52 -4.320 -2.632 -7.798 1.00 53.14 H new ATOM 0 HG3 ARG A 52 -3.824 -2.435 -6.128 1.00 53.14 H new ATOM 0 HD2 ARG A 52 -2.025 -3.028 -8.524 1.00 64.41 H new ATOM 0 HD3 ARG A 52 -2.053 -1.564 -7.562 1.00 64.41 H new ATOM 0 HE ARG A 52 -1.363 -3.308 -5.632 1.00 32.55 H new ATOM 0 HH11 ARG A 52 0.009 -2.617 -8.748 1.00 44.11 H new ATOM 0 HH12 ARG A 52 1.483 -3.531 -8.416 1.00 44.11 H new ATOM 0 HH21 ARG A 52 0.477 -4.494 -5.252 1.00 73.33 H new ATOM 0 HH22 ARG A 52 1.744 -4.569 -6.481 1.00 73.33 H new ATOM 812 N ASP A 53 -5.435 -5.329 -4.147 1.00 3.12 N ATOM 813 CA ASP A 53 -6.463 -5.111 -3.108 1.00 63.41 C ATOM 814 C ASP A 53 -5.942 -5.484 -1.688 1.00 23.25 C ATOM 815 O ASP A 53 -6.342 -4.867 -0.694 1.00 44.13 O ATOM 816 CB ASP A 53 -7.732 -5.927 -3.467 1.00 63.42 C ATOM 817 CG ASP A 53 -8.855 -5.801 -2.425 1.00 22.35 C ATOM 818 OD1 ASP A 53 -9.317 -4.669 -2.172 1.00 13.31 O ATOM 819 OD2 ASP A 53 -9.283 -6.830 -1.864 1.00 42.01 O ATOM 0 H ASP A 53 -5.638 -6.122 -4.755 1.00 3.12 H new ATOM 0 HA ASP A 53 -6.709 -4.050 -3.081 1.00 63.41 H new ATOM 0 HB2 ASP A 53 -8.106 -5.595 -4.435 1.00 63.42 H new ATOM 0 HB3 ASP A 53 -7.461 -6.978 -3.573 1.00 63.42 H new ATOM 824 N PHE A 54 -5.054 -6.491 -1.604 1.00 31.14 N ATOM 825 CA PHE A 54 -4.416 -6.884 -0.325 1.00 0.34 C ATOM 826 C PHE A 54 -3.506 -5.752 0.206 1.00 70.15 C ATOM 827 O PHE A 54 -3.525 -5.441 1.402 1.00 10.52 O ATOM 828 CB PHE A 54 -3.606 -8.201 -0.481 1.00 51.31 C ATOM 829 CG PHE A 54 -2.904 -8.650 0.806 1.00 20.41 C ATOM 830 CD1 PHE A 54 -3.645 -9.135 1.889 1.00 43.51 C ATOM 831 CD2 PHE A 54 -1.516 -8.562 0.950 1.00 1.21 C ATOM 832 CE1 PHE A 54 -3.023 -9.519 3.059 1.00 30.23 C ATOM 833 CE2 PHE A 54 -0.899 -8.950 2.124 1.00 44.02 C ATOM 834 CZ PHE A 54 -1.653 -9.423 3.177 1.00 15.14 C ATOM 0 H PHE A 54 -4.759 -7.050 -2.404 1.00 31.14 H new ATOM 0 HA PHE A 54 -5.211 -7.059 0.400 1.00 0.34 H new ATOM 0 HB2 PHE A 54 -4.278 -8.993 -0.813 1.00 51.31 H new ATOM 0 HB3 PHE A 54 -2.859 -8.067 -1.264 1.00 51.31 H new ATOM 0 HD1 PHE A 54 -4.719 -9.210 1.808 1.00 43.51 H new ATOM 0 HD2 PHE A 54 -0.918 -8.186 0.133 1.00 1.21 H new ATOM 0 HE1 PHE A 54 -3.610 -9.895 3.884 1.00 30.23 H new ATOM 0 HE2 PHE A 54 0.175 -8.883 2.217 1.00 44.02 H new ATOM 0 HZ PHE A 54 -1.169 -9.719 4.096 1.00 15.14 H new ATOM 844 N VAL A 55 -2.724 -5.131 -0.705 1.00 22.54 N ATOM 845 CA VAL A 55 -1.840 -3.998 -0.354 1.00 0.14 C ATOM 846 C VAL A 55 -2.673 -2.790 0.144 1.00 54.54 C ATOM 847 O VAL A 55 -2.261 -2.080 1.071 1.00 63.21 O ATOM 848 CB VAL A 55 -0.931 -3.541 -1.552 1.00 40.33 C ATOM 849 CG1 VAL A 55 0.073 -2.470 -1.074 1.00 1.13 C ATOM 850 CG2 VAL A 55 -0.186 -4.731 -2.216 1.00 75.31 C ATOM 0 H VAL A 55 -2.687 -5.396 -1.689 1.00 22.54 H new ATOM 0 HA VAL A 55 -1.187 -4.355 0.442 1.00 0.14 H new ATOM 0 HB VAL A 55 -1.583 -3.112 -2.313 1.00 40.33 H new ATOM 0 HG11 VAL A 55 0.699 -2.159 -1.910 1.00 1.13 H new ATOM 0 HG12 VAL A 55 -0.471 -1.608 -0.688 1.00 1.13 H new ATOM 0 HG13 VAL A 55 0.701 -2.886 -0.286 1.00 1.13 H new ATOM 0 HG21 VAL A 55 0.428 -4.363 -3.038 1.00 75.31 H new ATOM 0 HG22 VAL A 55 0.450 -5.219 -1.478 1.00 75.31 H new ATOM 0 HG23 VAL A 55 -0.913 -5.447 -2.599 1.00 75.31 H new ATOM 860 N ARG A 56 -3.850 -2.588 -0.487 1.00 64.42 N ATOM 861 CA ARG A 56 -4.854 -1.598 -0.044 1.00 62.41 C ATOM 862 C ARG A 56 -5.222 -1.804 1.443 1.00 22.02 C ATOM 863 O ARG A 56 -5.161 -0.862 2.222 1.00 75.41 O ATOM 864 CB ARG A 56 -6.129 -1.684 -0.934 1.00 14.44 C ATOM 865 CG ARG A 56 -7.332 -0.856 -0.429 1.00 1.21 C ATOM 866 CD ARG A 56 -8.602 -1.059 -1.270 1.00 11.43 C ATOM 867 NE ARG A 56 -8.483 -0.465 -2.614 1.00 33.11 N ATOM 868 CZ ARG A 56 -8.793 -1.055 -3.744 1.00 10.24 C ATOM 869 NH1 ARG A 56 -9.151 -2.296 -3.787 1.00 25.02 N ATOM 870 NH2 ARG A 56 -8.718 -0.390 -4.841 1.00 51.35 N ATOM 0 H ARG A 56 -4.130 -3.108 -1.319 1.00 64.42 H new ATOM 0 HA ARG A 56 -4.417 -0.605 -0.149 1.00 62.41 H new ATOM 0 HB2 ARG A 56 -5.875 -1.352 -1.941 1.00 14.44 H new ATOM 0 HB3 ARG A 56 -6.432 -2.728 -1.010 1.00 14.44 H new ATOM 0 HG2 ARG A 56 -7.542 -1.126 0.606 1.00 1.21 H new ATOM 0 HG3 ARG A 56 -7.065 0.201 -0.434 1.00 1.21 H new ATOM 0 HD2 ARG A 56 -8.807 -2.126 -1.363 1.00 11.43 H new ATOM 0 HD3 ARG A 56 -9.453 -0.615 -0.753 1.00 11.43 H new ATOM 0 HE ARG A 56 -8.128 0.490 -2.670 1.00 33.11 H new ATOM 0 HH11 ARG A 56 -9.198 -2.843 -2.928 1.00 25.02 H new ATOM 0 HH12 ARG A 56 -9.386 -2.728 -4.680 1.00 25.02 H new ATOM 0 HH21 ARG A 56 -8.420 0.585 -4.827 1.00 51.35 H new ATOM 0 HH22 ARG A 56 -8.956 -0.838 -5.726 1.00 51.35 H new ATOM 884 N ALA A 57 -5.559 -3.057 1.814 1.00 54.25 N ATOM 885 CA ALA A 57 -5.935 -3.427 3.205 1.00 63.34 C ATOM 886 C ALA A 57 -4.825 -3.073 4.225 1.00 65.52 C ATOM 887 O ALA A 57 -5.102 -2.471 5.268 1.00 62.01 O ATOM 888 CB ALA A 57 -6.274 -4.924 3.283 1.00 32.40 C ATOM 0 H ALA A 57 -5.580 -3.843 1.164 1.00 54.25 H new ATOM 0 HA ALA A 57 -6.816 -2.843 3.470 1.00 63.34 H new ATOM 0 HB1 ALA A 57 -6.548 -5.182 4.306 1.00 32.40 H new ATOM 0 HB2 ALA A 57 -7.109 -5.143 2.618 1.00 32.40 H new ATOM 0 HB3 ALA A 57 -5.406 -5.510 2.981 1.00 32.40 H new ATOM 894 N VAL A 58 -3.572 -3.438 3.895 1.00 34.41 N ATOM 895 CA VAL A 58 -2.399 -3.197 4.775 1.00 24.05 C ATOM 896 C VAL A 58 -2.107 -1.674 4.913 1.00 52.15 C ATOM 897 O VAL A 58 -1.731 -1.195 5.984 1.00 41.23 O ATOM 898 CB VAL A 58 -1.120 -3.958 4.245 1.00 41.22 C ATOM 899 CG1 VAL A 58 0.073 -3.837 5.236 1.00 3.10 C ATOM 900 CG2 VAL A 58 -1.440 -5.449 3.946 1.00 24.25 C ATOM 0 H VAL A 58 -3.339 -3.905 3.019 1.00 34.41 H new ATOM 0 HA VAL A 58 -2.643 -3.590 5.762 1.00 24.05 H new ATOM 0 HB VAL A 58 -0.823 -3.480 3.312 1.00 41.22 H new ATOM 0 HG11 VAL A 58 0.934 -4.373 4.836 1.00 3.10 H new ATOM 0 HG12 VAL A 58 0.330 -2.786 5.369 1.00 3.10 H new ATOM 0 HG13 VAL A 58 -0.208 -4.267 6.198 1.00 3.10 H new ATOM 0 HG21 VAL A 58 -0.542 -5.948 3.583 1.00 24.25 H new ATOM 0 HG22 VAL A 58 -1.783 -5.937 4.858 1.00 24.25 H new ATOM 0 HG23 VAL A 58 -2.220 -5.509 3.187 1.00 24.25 H new ATOM 910 N ALA A 59 -2.297 -0.927 3.814 1.00 32.22 N ATOM 911 CA ALA A 59 -2.154 0.550 3.797 1.00 2.20 C ATOM 912 C ALA A 59 -3.385 1.280 4.416 1.00 35.33 C ATOM 913 O ALA A 59 -3.295 2.458 4.777 1.00 62.25 O ATOM 914 CB ALA A 59 -1.884 1.024 2.361 1.00 13.33 C ATOM 0 H ALA A 59 -2.554 -1.323 2.910 1.00 32.22 H new ATOM 0 HA ALA A 59 -1.304 0.812 4.427 1.00 2.20 H new ATOM 0 HB1 ALA A 59 -1.779 2.109 2.350 1.00 13.33 H new ATOM 0 HB2 ALA A 59 -0.965 0.567 1.994 1.00 13.33 H new ATOM 0 HB3 ALA A 59 -2.716 0.733 1.719 1.00 13.33 H new ATOM 920 N LEU A 60 -4.532 0.579 4.524 1.00 25.03 N ATOM 921 CA LEU A 60 -5.754 1.102 5.198 1.00 33.53 C ATOM 922 C LEU A 60 -5.824 0.677 6.675 1.00 11.20 C ATOM 923 O LEU A 60 -6.753 1.082 7.378 1.00 3.02 O ATOM 924 CB LEU A 60 -7.051 0.633 4.466 1.00 61.01 C ATOM 925 CG LEU A 60 -7.346 1.297 3.089 1.00 31.24 C ATOM 926 CD1 LEU A 60 -8.689 0.807 2.502 1.00 53.14 C ATOM 927 CD2 LEU A 60 -7.311 2.829 3.205 1.00 44.33 C ATOM 0 H LEU A 60 -4.645 -0.363 4.150 1.00 25.03 H new ATOM 0 HA LEU A 60 -5.688 2.189 5.152 1.00 33.53 H new ATOM 0 HB2 LEU A 60 -6.990 -0.445 4.319 1.00 61.01 H new ATOM 0 HB3 LEU A 60 -7.900 0.818 5.124 1.00 61.01 H new ATOM 0 HG LEU A 60 -6.561 0.994 2.396 1.00 31.24 H new ATOM 0 HD11 LEU A 60 -8.864 1.290 1.541 1.00 53.14 H new ATOM 0 HD12 LEU A 60 -8.653 -0.274 2.364 1.00 53.14 H new ATOM 0 HD13 LEU A 60 -9.499 1.058 3.187 1.00 53.14 H new ATOM 0 HD21 LEU A 60 -7.520 3.272 2.231 1.00 44.33 H new ATOM 0 HD22 LEU A 60 -8.064 3.157 3.922 1.00 44.33 H new ATOM 0 HD23 LEU A 60 -6.325 3.146 3.544 1.00 44.33 H new ATOM 939 N SER A 61 -4.872 -0.158 7.133 1.00 61.44 N ATOM 940 CA SER A 61 -4.887 -0.701 8.511 1.00 63.50 C ATOM 941 C SER A 61 -4.667 0.403 9.560 1.00 5.43 C ATOM 942 O SER A 61 -3.959 1.382 9.310 1.00 72.41 O ATOM 943 CB SER A 61 -3.816 -1.801 8.702 1.00 11.44 C ATOM 944 OG SER A 61 -2.497 -1.279 8.757 1.00 40.14 O ATOM 0 H SER A 61 -4.081 -0.473 6.571 1.00 61.44 H new ATOM 0 HA SER A 61 -5.875 -1.137 8.657 1.00 63.50 H new ATOM 0 HB2 SER A 61 -4.024 -2.349 9.621 1.00 11.44 H new ATOM 0 HB3 SER A 61 -3.885 -2.516 7.882 1.00 11.44 H new ATOM 0 HG SER A 61 -2.135 -1.209 7.849 1.00 40.14 H new ATOM 950 N GLU A 62 -5.277 0.218 10.737 1.00 22.33 N ATOM 951 CA GLU A 62 -5.098 1.119 11.896 1.00 53.13 C ATOM 952 C GLU A 62 -3.655 1.002 12.466 1.00 23.11 C ATOM 953 O GLU A 62 -3.128 1.956 13.037 1.00 71.42 O ATOM 954 CB GLU A 62 -6.179 0.800 12.965 1.00 31.13 C ATOM 955 CG GLU A 62 -6.161 -0.656 13.489 1.00 33.13 C ATOM 956 CD GLU A 62 -7.432 -1.036 14.264 1.00 14.01 C ATOM 957 OE1 GLU A 62 -8.439 -1.406 13.616 1.00 61.42 O ATOM 958 OE2 GLU A 62 -7.440 -0.959 15.509 1.00 33.11 O ATOM 0 H GLU A 62 -5.911 -0.560 10.919 1.00 22.33 H new ATOM 0 HA GLU A 62 -5.227 2.154 11.581 1.00 53.13 H new ATOM 0 HB2 GLU A 62 -6.047 1.477 13.809 1.00 31.13 H new ATOM 0 HB3 GLU A 62 -7.162 1.007 12.541 1.00 31.13 H new ATOM 0 HG2 GLU A 62 -6.040 -1.337 12.647 1.00 33.13 H new ATOM 0 HG3 GLU A 62 -5.294 -0.792 14.136 1.00 33.13 H new ATOM 965 N LEU A 63 -3.024 -0.180 12.262 1.00 71.51 N ATOM 966 CA LEU A 63 -1.613 -0.437 12.645 1.00 43.24 C ATOM 967 C LEU A 63 -0.637 0.471 11.849 1.00 50.30 C ATOM 968 O LEU A 63 0.309 1.010 12.411 1.00 13.30 O ATOM 969 CB LEU A 63 -1.220 -1.936 12.421 1.00 5.40 C ATOM 970 CG LEU A 63 -1.913 -3.006 13.337 1.00 51.05 C ATOM 971 CD1 LEU A 63 -3.404 -3.228 12.976 1.00 11.25 C ATOM 972 CD2 LEU A 63 -1.133 -4.343 13.316 1.00 2.52 C ATOM 0 H LEU A 63 -3.479 -0.983 11.827 1.00 71.51 H new ATOM 0 HA LEU A 63 -1.531 -0.205 13.707 1.00 43.24 H new ATOM 0 HB2 LEU A 63 -1.436 -2.190 11.383 1.00 5.40 H new ATOM 0 HB3 LEU A 63 -0.142 -2.026 12.554 1.00 5.40 H new ATOM 0 HG LEU A 63 -1.893 -2.608 14.352 1.00 51.05 H new ATOM 0 HD11 LEU A 63 -3.832 -3.978 13.642 1.00 11.25 H new ATOM 0 HD12 LEU A 63 -3.949 -2.291 13.088 1.00 11.25 H new ATOM 0 HD13 LEU A 63 -3.481 -3.572 11.945 1.00 11.25 H new ATOM 0 HD21 LEU A 63 -1.634 -5.067 13.959 1.00 2.52 H new ATOM 0 HD22 LEU A 63 -1.097 -4.727 12.297 1.00 2.52 H new ATOM 0 HD23 LEU A 63 -0.118 -4.178 13.678 1.00 2.52 H new ATOM 984 N TYR A 64 -0.883 0.615 10.533 1.00 71.53 N ATOM 985 CA TYR A 64 -0.067 1.476 9.641 1.00 15.22 C ATOM 986 C TYR A 64 -0.388 2.975 9.857 1.00 51.41 C ATOM 987 O TYR A 64 0.517 3.796 10.060 1.00 73.13 O ATOM 988 CB TYR A 64 -0.311 1.072 8.153 1.00 1.22 C ATOM 989 CG TYR A 64 0.295 2.032 7.105 1.00 54.22 C ATOM 990 CD1 TYR A 64 1.671 2.188 6.983 1.00 32.44 C ATOM 991 CD2 TYR A 64 -0.517 2.794 6.255 1.00 1.24 C ATOM 992 CE1 TYR A 64 2.215 3.057 6.058 1.00 55.02 C ATOM 993 CE2 TYR A 64 0.026 3.662 5.324 1.00 62.34 C ATOM 994 CZ TYR A 64 1.392 3.788 5.230 1.00 65.13 C ATOM 995 OH TYR A 64 1.946 4.644 4.298 1.00 72.25 O ATOM 0 H TYR A 64 -1.649 0.141 10.055 1.00 71.53 H new ATOM 0 HA TYR A 64 0.985 1.327 9.886 1.00 15.22 H new ATOM 0 HB2 TYR A 64 0.101 0.076 7.991 1.00 1.22 H new ATOM 0 HB3 TYR A 64 -1.385 1.005 7.983 1.00 1.22 H new ATOM 0 HD1 TYR A 64 2.327 1.618 7.624 1.00 32.44 H new ATOM 0 HD2 TYR A 64 -1.591 2.702 6.328 1.00 1.24 H new ATOM 0 HE1 TYR A 64 3.287 3.164 5.984 1.00 55.02 H new ATOM 0 HE2 TYR A 64 -0.619 4.237 4.676 1.00 62.34 H new ATOM 0 HH TYR A 64 2.818 4.299 4.014 1.00 72.25 H new ATOM 1005 N ARG A 65 -1.691 3.300 9.803 1.00 73.32 N ATOM 1006 CA ARG A 65 -2.192 4.690 9.855 1.00 5.20 C ATOM 1007 C ARG A 65 -1.777 5.412 11.162 1.00 63.43 C ATOM 1008 O ARG A 65 -1.159 6.471 11.114 1.00 10.01 O ATOM 1009 CB ARG A 65 -3.740 4.703 9.672 1.00 53.31 C ATOM 1010 CG ARG A 65 -4.409 6.117 9.715 1.00 11.45 C ATOM 1011 CD ARG A 65 -5.345 6.315 10.927 1.00 62.14 C ATOM 1012 NE ARG A 65 -6.506 5.408 10.881 1.00 2.35 N ATOM 1013 CZ ARG A 65 -7.252 5.060 11.908 1.00 64.13 C ATOM 1014 NH1 ARG A 65 -6.934 5.384 13.115 1.00 61.03 N ATOM 1015 NH2 ARG A 65 -8.305 4.353 11.704 1.00 62.45 N ATOM 0 H ARG A 65 -2.432 2.604 9.722 1.00 73.32 H new ATOM 0 HA ARG A 65 -1.733 5.243 9.035 1.00 5.20 H new ATOM 0 HB2 ARG A 65 -3.980 4.235 8.717 1.00 53.31 H new ATOM 0 HB3 ARG A 65 -4.186 4.085 10.451 1.00 53.31 H new ATOM 0 HG2 ARG A 65 -3.630 6.879 9.739 1.00 11.45 H new ATOM 0 HG3 ARG A 65 -4.977 6.270 8.797 1.00 11.45 H new ATOM 0 HD2 ARG A 65 -4.787 6.144 11.848 1.00 62.14 H new ATOM 0 HD3 ARG A 65 -5.692 7.348 10.952 1.00 62.14 H new ATOM 0 HE ARG A 65 -6.753 5.015 9.973 1.00 2.35 H new ATOM 0 HH11 ARG A 65 -6.086 5.923 13.292 1.00 61.03 H new ATOM 0 HH12 ARG A 65 -7.530 5.101 13.893 1.00 61.03 H new ATOM 0 HH21 ARG A 65 -8.553 4.069 10.756 1.00 62.45 H new ATOM 0 HH22 ARG A 65 -8.893 4.076 12.490 1.00 62.45 H new ATOM 1029 N GLU A 66 -2.094 4.813 12.327 1.00 3.54 N ATOM 1030 CA GLU A 66 -1.804 5.427 13.650 1.00 32.23 C ATOM 1031 C GLU A 66 -0.283 5.521 13.941 1.00 42.55 C ATOM 1032 O GLU A 66 0.182 6.517 14.496 1.00 62.44 O ATOM 1033 CB GLU A 66 -2.540 4.649 14.772 1.00 52.24 C ATOM 1034 CG GLU A 66 -4.073 4.669 14.628 1.00 71.12 C ATOM 1035 CD GLU A 66 -4.793 3.839 15.701 1.00 50.21 C ATOM 1036 OE1 GLU A 66 -4.887 2.608 15.542 1.00 14.10 O ATOM 1037 OE2 GLU A 66 -5.264 4.411 16.705 1.00 20.01 O ATOM 0 H GLU A 66 -2.552 3.903 12.385 1.00 3.54 H new ATOM 0 HA GLU A 66 -2.177 6.451 13.624 1.00 32.23 H new ATOM 0 HB2 GLU A 66 -2.196 3.615 14.772 1.00 52.24 H new ATOM 0 HB3 GLU A 66 -2.268 5.075 15.738 1.00 52.24 H new ATOM 0 HG2 GLU A 66 -4.423 5.700 14.680 1.00 71.12 H new ATOM 0 HG3 GLU A 66 -4.344 4.290 13.643 1.00 71.12 H new ATOM 1044 N LYS A 67 0.481 4.494 13.529 1.00 20.22 N ATOM 1045 CA LYS A 67 1.955 4.436 13.733 1.00 74.21 C ATOM 1046 C LYS A 67 2.699 5.550 12.946 1.00 51.24 C ATOM 1047 O LYS A 67 3.482 6.291 13.519 1.00 12.03 O ATOM 1048 CB LYS A 67 2.463 3.034 13.308 1.00 21.04 C ATOM 1049 CG LYS A 67 3.988 2.785 13.414 1.00 3.24 C ATOM 1050 CD LYS A 67 4.361 1.326 13.026 1.00 34.23 C ATOM 1051 CE LYS A 67 5.880 1.069 13.003 1.00 51.04 C ATOM 1052 NZ LYS A 67 6.508 1.262 14.333 1.00 41.23 N ATOM 0 H LYS A 67 0.104 3.679 13.046 1.00 20.22 H new ATOM 0 HA LYS A 67 2.166 4.607 14.789 1.00 74.21 H new ATOM 0 HB2 LYS A 67 1.953 2.288 13.918 1.00 21.04 H new ATOM 0 HB3 LYS A 67 2.161 2.861 12.275 1.00 21.04 H new ATOM 0 HG2 LYS A 67 4.517 3.481 12.763 1.00 3.24 H new ATOM 0 HG3 LYS A 67 4.320 2.987 14.432 1.00 3.24 H new ATOM 0 HD2 LYS A 67 3.894 0.639 13.732 1.00 34.23 H new ATOM 0 HD3 LYS A 67 3.947 1.102 12.043 1.00 34.23 H new ATOM 0 HE2 LYS A 67 6.068 0.052 12.660 1.00 51.04 H new ATOM 0 HE3 LYS A 67 6.348 1.740 12.283 1.00 51.04 H new ATOM 0 HZ1 LYS A 67 7.529 1.077 14.265 1.00 41.23 H new ATOM 0 HZ2 LYS A 67 6.353 2.240 14.651 1.00 41.23 H new ATOM 0 HZ3 LYS A 67 6.082 0.604 15.017 1.00 41.23 H new ATOM 1066 N PHE A 68 2.423 5.686 11.640 1.00 71.53 N ATOM 1067 CA PHE A 68 3.190 6.619 10.761 1.00 22.44 C ATOM 1068 C PHE A 68 2.560 8.029 10.636 1.00 43.43 C ATOM 1069 O PHE A 68 3.191 8.930 10.081 1.00 64.15 O ATOM 1070 CB PHE A 68 3.398 5.970 9.372 1.00 54.00 C ATOM 1071 CG PHE A 68 4.283 4.728 9.424 1.00 54.55 C ATOM 1072 CD1 PHE A 68 5.672 4.846 9.482 1.00 71.34 C ATOM 1073 CD2 PHE A 68 3.732 3.449 9.445 1.00 1.02 C ATOM 1074 CE1 PHE A 68 6.476 3.726 9.549 1.00 64.25 C ATOM 1075 CE2 PHE A 68 4.537 2.333 9.513 1.00 61.13 C ATOM 1076 CZ PHE A 68 5.906 2.469 9.569 1.00 51.32 C ATOM 0 H PHE A 68 1.684 5.172 11.161 1.00 71.53 H new ATOM 0 HA PHE A 68 4.155 6.784 11.240 1.00 22.44 H new ATOM 0 HB2 PHE A 68 2.428 5.702 8.953 1.00 54.00 H new ATOM 0 HB3 PHE A 68 3.845 6.701 8.698 1.00 54.00 H new ATOM 0 HD1 PHE A 68 6.124 5.827 9.474 1.00 71.34 H new ATOM 0 HD2 PHE A 68 2.659 3.330 9.407 1.00 1.02 H new ATOM 0 HE1 PHE A 68 7.550 3.833 9.586 1.00 64.25 H new ATOM 0 HE2 PHE A 68 4.093 1.349 9.522 1.00 61.13 H new ATOM 0 HZ PHE A 68 6.534 1.592 9.629 1.00 51.32 H new ATOM 1086 N PHE A 69 1.307 8.214 11.090 1.00 72.43 N ATOM 1087 CA PHE A 69 0.691 9.564 11.173 1.00 71.33 C ATOM 1088 C PHE A 69 0.942 10.242 12.551 1.00 63.54 C ATOM 1089 O PHE A 69 1.141 11.453 12.618 1.00 42.24 O ATOM 1090 CB PHE A 69 -0.827 9.506 10.857 1.00 22.20 C ATOM 1091 CG PHE A 69 -1.535 10.871 10.879 1.00 0.41 C ATOM 1092 CD1 PHE A 69 -1.183 11.875 9.971 1.00 53.35 C ATOM 1093 CD2 PHE A 69 -2.544 11.152 11.808 1.00 74.32 C ATOM 1094 CE1 PHE A 69 -1.813 13.106 9.993 1.00 64.13 C ATOM 1095 CE2 PHE A 69 -3.172 12.385 11.826 1.00 72.43 C ATOM 1096 CZ PHE A 69 -2.807 13.361 10.918 1.00 11.21 C ATOM 0 H PHE A 69 0.700 7.457 11.404 1.00 72.43 H new ATOM 0 HA PHE A 69 1.177 10.180 10.417 1.00 71.33 H new ATOM 0 HB2 PHE A 69 -0.964 9.056 9.874 1.00 22.20 H new ATOM 0 HB3 PHE A 69 -1.311 8.848 11.579 1.00 22.20 H new ATOM 0 HD1 PHE A 69 -0.408 11.686 9.242 1.00 53.35 H new ATOM 0 HD2 PHE A 69 -2.837 10.395 12.521 1.00 74.32 H new ATOM 0 HE1 PHE A 69 -1.527 13.870 9.285 1.00 64.13 H new ATOM 0 HE2 PHE A 69 -3.948 12.585 12.550 1.00 72.43 H new ATOM 0 HZ PHE A 69 -3.299 14.323 10.932 1.00 11.21 H new ATOM 1106 N HIS A 70 0.900 9.467 13.658 1.00 73.11 N ATOM 1107 CA HIS A 70 1.016 10.034 15.036 1.00 23.41 C ATOM 1108 C HIS A 70 2.479 10.069 15.545 1.00 54.43 C ATOM 1109 O HIS A 70 2.852 10.976 16.295 1.00 32.11 O ATOM 1110 CB HIS A 70 0.113 9.260 16.029 1.00 40.52 C ATOM 1111 CG HIS A 70 -1.363 9.443 15.778 1.00 20.44 C ATOM 1112 ND1 HIS A 70 -2.187 10.157 16.621 1.00 35.10 N ATOM 1113 CD2 HIS A 70 -2.162 9.006 14.771 1.00 23.11 C ATOM 1114 CE1 HIS A 70 -3.413 10.153 16.148 1.00 74.23 C ATOM 1115 NE2 HIS A 70 -3.427 9.467 15.030 1.00 32.21 N ATOM 0 H HIS A 70 0.788 8.454 13.633 1.00 73.11 H new ATOM 0 HA HIS A 70 0.674 11.067 14.979 1.00 23.41 H new ATOM 0 HB2 HIS A 70 0.353 8.198 15.972 1.00 40.52 H new ATOM 0 HB3 HIS A 70 0.343 9.585 17.044 1.00 40.52 H new ATOM 0 HD2 HIS A 70 -1.858 8.408 13.925 1.00 23.11 H new ATOM 0 HE1 HIS A 70 -4.266 10.634 16.603 1.00 74.23 H new ATOM 0 HE2 HIS A 70 -4.248 9.303 14.447 1.00 32.21 H new ATOM 1124 N ASN A 71 3.299 9.079 15.153 1.00 1.15 N ATOM 1125 CA ASN A 71 4.736 9.011 15.556 1.00 74.43 C ATOM 1126 C ASN A 71 5.646 9.772 14.543 1.00 12.21 C ATOM 1127 O ASN A 71 6.849 9.943 14.768 1.00 30.13 O ATOM 1128 CB ASN A 71 5.156 7.521 15.671 1.00 64.12 C ATOM 1129 CG ASN A 71 6.432 7.286 16.468 1.00 1.22 C ATOM 1130 OD1 ASN A 71 7.534 7.287 15.936 1.00 73.14 O ATOM 1131 ND2 ASN A 71 6.286 7.065 17.755 1.00 63.31 N ATOM 0 H ASN A 71 3.001 8.308 14.556 1.00 1.15 H new ATOM 0 HA ASN A 71 4.859 9.499 16.523 1.00 74.43 H new ATOM 0 HB2 ASN A 71 4.344 6.962 16.136 1.00 64.12 H new ATOM 0 HB3 ASN A 71 5.289 7.115 14.668 1.00 64.12 H new ATOM 0 HD21 ASN A 71 7.104 6.888 18.338 1.00 63.31 H new ATOM 0 HD22 ASN A 71 5.355 7.070 18.171 1.00 63.31 H new ATOM 1138 N ASN A 72 5.038 10.246 13.443 1.00 51.42 N ATOM 1139 CA ASN A 72 5.744 10.910 12.325 1.00 60.52 C ATOM 1140 C ASN A 72 4.901 12.095 11.782 1.00 21.01 C ATOM 1141 O ASN A 72 3.681 12.109 11.923 1.00 63.11 O ATOM 1142 CB ASN A 72 6.005 9.854 11.215 1.00 13.13 C ATOM 1143 CG ASN A 72 6.717 10.385 9.976 1.00 33.43 C ATOM 1144 OD1 ASN A 72 7.611 11.221 10.065 1.00 34.31 O ATOM 1145 ND2 ASN A 72 6.289 9.940 8.809 1.00 63.22 N ATOM 0 H ASN A 72 4.030 10.180 13.300 1.00 51.42 H new ATOM 0 HA ASN A 72 6.695 11.317 12.669 1.00 60.52 H new ATOM 0 HB2 ASN A 72 6.599 9.044 11.638 1.00 13.13 H new ATOM 0 HB3 ASN A 72 5.050 9.425 10.911 1.00 13.13 H new ATOM 0 HD21 ASN A 72 6.704 10.292 7.946 1.00 63.22 H new ATOM 0 HD22 ASN A 72 5.544 9.245 8.771 1.00 63.22 H new ATOM 1152 N ALA A 73 5.583 13.079 11.168 1.00 60.45 N ATOM 1153 CA ALA A 73 4.945 14.262 10.537 1.00 13.20 C ATOM 1154 C ALA A 73 4.182 13.868 9.245 1.00 65.31 C ATOM 1155 O ALA A 73 4.664 13.030 8.486 1.00 11.21 O ATOM 1156 CB ALA A 73 6.013 15.323 10.231 1.00 1.25 C ATOM 0 H ALA A 73 6.600 13.081 11.092 1.00 60.45 H new ATOM 0 HA ALA A 73 4.217 14.676 11.235 1.00 13.20 H new ATOM 0 HB1 ALA A 73 5.542 16.190 9.768 1.00 1.25 H new ATOM 0 HB2 ALA A 73 6.500 15.626 11.158 1.00 1.25 H new ATOM 0 HB3 ALA A 73 6.755 14.906 9.550 1.00 1.25 H new ATOM 1162 N HIS A 74 2.992 14.473 9.016 1.00 63.11 N ATOM 1163 CA HIS A 74 2.118 14.152 7.854 1.00 30.41 C ATOM 1164 C HIS A 74 2.822 14.381 6.482 1.00 33.24 C ATOM 1165 O HIS A 74 2.593 13.623 5.539 1.00 22.14 O ATOM 1166 CB HIS A 74 0.798 14.959 7.922 1.00 54.21 C ATOM 1167 CG HIS A 74 -0.168 14.656 6.789 1.00 12.44 C ATOM 1168 ND1 HIS A 74 -0.729 15.656 6.034 1.00 60.10 N ATOM 1169 CD2 HIS A 74 -0.601 13.456 6.308 1.00 33.33 C ATOM 1170 CE1 HIS A 74 -1.470 15.055 5.127 1.00 10.23 C ATOM 1171 NE2 HIS A 74 -1.423 13.726 5.251 1.00 10.54 N ATOM 0 H HIS A 74 2.609 15.195 9.627 1.00 63.11 H new ATOM 0 HA HIS A 74 1.894 13.087 7.921 1.00 30.41 H new ATOM 0 HB2 HIS A 74 0.305 14.751 8.872 1.00 54.21 H new ATOM 0 HB3 HIS A 74 1.033 16.023 7.911 1.00 54.21 H new ATOM 0 HD2 HIS A 74 -0.343 12.479 6.690 1.00 33.33 H new ATOM 0 HE1 HIS A 74 -2.046 15.573 4.374 1.00 10.23 H new ATOM 0 HE2 HIS A 74 -1.908 13.044 4.668 1.00 10.54 H new ATOM 1179 N ASN A 75 3.663 15.430 6.382 1.00 44.30 N ATOM 1180 CA ASN A 75 4.494 15.685 5.169 1.00 21.14 C ATOM 1181 C ASN A 75 5.413 14.473 4.861 1.00 12.44 C ATOM 1182 O ASN A 75 5.498 14.013 3.718 1.00 14.41 O ATOM 1183 CB ASN A 75 5.341 16.973 5.345 1.00 51.14 C ATOM 1184 CG ASN A 75 4.508 18.253 5.446 1.00 32.14 C ATOM 1185 OD1 ASN A 75 3.373 18.250 5.911 1.00 45.11 O ATOM 1186 ND2 ASN A 75 5.078 19.365 5.027 1.00 60.12 N ATOM 0 H ASN A 75 3.791 16.120 7.123 1.00 44.30 H new ATOM 0 HA ASN A 75 3.820 15.826 4.324 1.00 21.14 H new ATOM 0 HB2 ASN A 75 5.950 16.876 6.244 1.00 51.14 H new ATOM 0 HB3 ASN A 75 6.027 17.063 4.503 1.00 51.14 H new ATOM 0 HD21 ASN A 75 4.574 20.250 5.086 1.00 60.12 H new ATOM 0 HD22 ASN A 75 6.023 19.341 4.644 1.00 60.12 H new ATOM 1193 N ARG A 76 6.059 13.949 5.922 1.00 64.51 N ATOM 1194 CA ARG A 76 6.876 12.716 5.853 1.00 15.53 C ATOM 1195 C ARG A 76 5.999 11.454 5.649 1.00 4.10 C ATOM 1196 O ARG A 76 6.474 10.485 5.080 1.00 22.41 O ATOM 1197 CB ARG A 76 7.738 12.547 7.132 1.00 10.41 C ATOM 1198 CG ARG A 76 8.966 13.470 7.239 1.00 62.32 C ATOM 1199 CD ARG A 76 10.015 13.180 6.143 1.00 42.11 C ATOM 1200 NE ARG A 76 11.239 13.983 6.311 1.00 13.40 N ATOM 1201 CZ ARG A 76 12.312 13.915 5.547 1.00 52.41 C ATOM 1202 NH1 ARG A 76 12.334 13.201 4.466 1.00 41.21 N ATOM 1203 NH2 ARG A 76 13.355 14.606 5.863 1.00 4.21 N ATOM 0 H ARG A 76 6.030 14.367 6.852 1.00 64.51 H new ATOM 0 HA ARG A 76 7.532 12.821 4.989 1.00 15.53 H new ATOM 0 HB2 ARG A 76 7.102 12.717 8.001 1.00 10.41 H new ATOM 0 HB3 ARG A 76 8.079 11.513 7.184 1.00 10.41 H new ATOM 0 HG2 ARG A 76 8.644 14.509 7.165 1.00 62.32 H new ATOM 0 HG3 ARG A 76 9.425 13.348 8.220 1.00 62.32 H new ATOM 0 HD2 ARG A 76 10.273 12.121 6.162 1.00 42.11 H new ATOM 0 HD3 ARG A 76 9.581 13.385 5.165 1.00 42.11 H new ATOM 0 HE ARG A 76 11.258 14.648 7.084 1.00 13.40 H new ATOM 0 HH11 ARG A 76 11.507 12.673 4.187 1.00 41.21 H new ATOM 0 HH12 ARG A 76 13.178 13.167 3.894 1.00 41.21 H new ATOM 0 HH21 ARG A 76 13.343 15.196 6.695 1.00 4.21 H new ATOM 0 HH22 ARG A 76 14.191 14.562 5.281 1.00 4.21 H new ATOM 1217 N PHE A 77 4.741 11.468 6.143 1.00 42.22 N ATOM 1218 CA PHE A 77 3.786 10.344 5.961 1.00 43.51 C ATOM 1219 C PHE A 77 3.396 10.188 4.471 1.00 53.54 C ATOM 1220 O PHE A 77 3.210 9.073 3.998 1.00 71.42 O ATOM 1221 CB PHE A 77 2.517 10.544 6.843 1.00 20.43 C ATOM 1222 CG PHE A 77 1.431 9.470 6.661 1.00 15.52 C ATOM 1223 CD1 PHE A 77 1.599 8.191 7.193 1.00 65.03 C ATOM 1224 CD2 PHE A 77 0.258 9.729 5.944 1.00 20.32 C ATOM 1225 CE1 PHE A 77 0.637 7.212 7.024 1.00 13.01 C ATOM 1226 CE2 PHE A 77 -0.702 8.745 5.774 1.00 30.34 C ATOM 1227 CZ PHE A 77 -0.513 7.489 6.315 1.00 22.13 C ATOM 0 H PHE A 77 4.358 12.250 6.675 1.00 42.22 H new ATOM 0 HA PHE A 77 4.281 9.427 6.281 1.00 43.51 H new ATOM 0 HB2 PHE A 77 2.819 10.562 7.890 1.00 20.43 H new ATOM 0 HB3 PHE A 77 2.085 11.519 6.618 1.00 20.43 H new ATOM 0 HD1 PHE A 77 2.497 7.961 7.747 1.00 65.03 H new ATOM 0 HD2 PHE A 77 0.099 10.708 5.518 1.00 20.32 H new ATOM 0 HE1 PHE A 77 0.786 6.230 7.448 1.00 13.01 H new ATOM 0 HE2 PHE A 77 -1.601 8.961 5.216 1.00 30.34 H new ATOM 0 HZ PHE A 77 -1.265 6.725 6.183 1.00 22.13 H new ATOM 1237 N ILE A 78 3.262 11.324 3.761 1.00 21.24 N ATOM 1238 CA ILE A 78 3.028 11.348 2.295 1.00 34.43 C ATOM 1239 C ILE A 78 4.278 10.827 1.543 1.00 21.24 C ATOM 1240 O ILE A 78 4.162 10.027 0.615 1.00 45.32 O ATOM 1241 CB ILE A 78 2.652 12.803 1.808 1.00 11.23 C ATOM 1242 CG1 ILE A 78 1.352 13.297 2.530 1.00 3.04 C ATOM 1243 CG2 ILE A 78 2.495 12.877 0.260 1.00 61.23 C ATOM 1244 CD1 ILE A 78 0.967 14.742 2.252 1.00 13.31 C ATOM 0 H ILE A 78 3.312 12.252 4.181 1.00 21.24 H new ATOM 0 HA ILE A 78 2.188 10.691 2.071 1.00 34.43 H new ATOM 0 HB ILE A 78 3.475 13.466 2.075 1.00 11.23 H new ATOM 0 HG12 ILE A 78 0.524 12.653 2.233 1.00 3.04 H new ATOM 0 HG13 ILE A 78 1.483 13.173 3.605 1.00 3.04 H new ATOM 0 HG21 ILE A 78 2.236 13.895 -0.031 1.00 61.23 H new ATOM 0 HG22 ILE A 78 3.433 12.591 -0.215 1.00 61.23 H new ATOM 0 HG23 ILE A 78 1.705 12.197 -0.059 1.00 61.23 H new ATOM 0 HD11 ILE A 78 0.055 14.987 2.797 1.00 13.31 H new ATOM 0 HD12 ILE A 78 1.772 15.402 2.576 1.00 13.31 H new ATOM 0 HD13 ILE A 78 0.798 14.874 1.183 1.00 13.31 H new ATOM 1256 N GLU A 79 5.471 11.271 1.992 1.00 5.52 N ATOM 1257 CA GLU A 79 6.774 10.803 1.447 1.00 73.22 C ATOM 1258 C GLU A 79 6.965 9.282 1.614 1.00 32.50 C ATOM 1259 O GLU A 79 7.468 8.594 0.713 1.00 23.31 O ATOM 1260 CB GLU A 79 7.938 11.563 2.120 1.00 61.32 C ATOM 1261 CG GLU A 79 8.003 13.064 1.771 1.00 0.52 C ATOM 1262 CD GLU A 79 9.101 13.812 2.536 1.00 64.55 C ATOM 1263 OE1 GLU A 79 10.280 13.429 2.406 1.00 5.41 O ATOM 1264 OE2 GLU A 79 8.790 14.766 3.282 1.00 61.12 O ATOM 0 H GLU A 79 5.564 11.960 2.738 1.00 5.52 H new ATOM 0 HA GLU A 79 6.772 11.014 0.378 1.00 73.22 H new ATOM 0 HB2 GLU A 79 7.849 11.457 3.201 1.00 61.32 H new ATOM 0 HB3 GLU A 79 8.878 11.094 1.830 1.00 61.32 H new ATOM 0 HG2 GLU A 79 8.174 13.175 0.700 1.00 0.52 H new ATOM 0 HG3 GLU A 79 7.039 13.524 1.989 1.00 0.52 H new ATOM 1271 N LEU A 80 6.542 8.781 2.778 1.00 34.22 N ATOM 1272 CA LEU A 80 6.549 7.353 3.088 1.00 21.23 C ATOM 1273 C LEU A 80 5.531 6.611 2.203 1.00 52.20 C ATOM 1274 O LEU A 80 5.897 5.698 1.489 1.00 10.23 O ATOM 1275 CB LEU A 80 6.253 7.126 4.597 1.00 55.24 C ATOM 1276 CG LEU A 80 7.413 7.485 5.579 1.00 54.20 C ATOM 1277 CD1 LEU A 80 6.968 7.330 7.048 1.00 51.34 C ATOM 1278 CD2 LEU A 80 8.680 6.647 5.278 1.00 65.42 C ATOM 0 H LEU A 80 6.183 9.361 3.536 1.00 34.22 H new ATOM 0 HA LEU A 80 7.539 6.949 2.876 1.00 21.23 H new ATOM 0 HB2 LEU A 80 5.377 7.715 4.869 1.00 55.24 H new ATOM 0 HB3 LEU A 80 5.990 6.078 4.743 1.00 55.24 H new ATOM 0 HG LEU A 80 7.669 8.533 5.424 1.00 54.20 H new ATOM 0 HD11 LEU A 80 7.796 7.587 7.708 1.00 51.34 H new ATOM 0 HD12 LEU A 80 6.127 7.995 7.246 1.00 51.34 H new ATOM 0 HD13 LEU A 80 6.666 6.299 7.230 1.00 51.34 H new ATOM 0 HD21 LEU A 80 9.471 6.919 5.977 1.00 65.42 H new ATOM 0 HD22 LEU A 80 8.449 5.587 5.385 1.00 65.42 H new ATOM 0 HD23 LEU A 80 9.013 6.845 4.259 1.00 65.42 H new ATOM 1290 N ASN A 81 4.274 7.078 2.206 1.00 30.13 N ATOM 1291 CA ASN A 81 3.148 6.437 1.476 1.00 4.03 C ATOM 1292 C ASN A 81 3.456 6.306 -0.050 1.00 2.24 C ATOM 1293 O ASN A 81 3.036 5.349 -0.703 1.00 0.41 O ATOM 1294 CB ASN A 81 1.848 7.260 1.718 1.00 44.44 C ATOM 1295 CG ASN A 81 0.562 6.524 1.343 1.00 72.24 C ATOM 1296 OD1 ASN A 81 -0.486 7.259 1.005 1.00 33.04 O flip ATOM 1297 ND2 ASN A 81 0.499 5.302 1.395 1.00 73.01 N flip ATOM 0 H ASN A 81 3.998 7.917 2.716 1.00 30.13 H new ATOM 0 HA ASN A 81 3.010 5.425 1.858 1.00 4.03 H new ATOM 0 HB2 ASN A 81 1.799 7.540 2.770 1.00 44.44 H new ATOM 0 HB3 ASN A 81 1.905 8.185 1.144 1.00 44.44 H new ATOM 0 HD21 ASN A 81 1.322 4.760 1.658 1.00 73.01 H new ATOM 0 HD22 ASN A 81 -0.376 4.827 1.175 1.00 73.01 H new ATOM 1304 N PHE A 82 4.221 7.281 -0.577 1.00 51.13 N ATOM 1305 CA PHE A 82 4.742 7.280 -1.966 1.00 32.53 C ATOM 1306 C PHE A 82 5.777 6.165 -2.220 1.00 34.11 C ATOM 1307 O PHE A 82 5.674 5.454 -3.204 1.00 63.10 O ATOM 1308 CB PHE A 82 5.364 8.663 -2.310 1.00 44.25 C ATOM 1309 CG PHE A 82 4.439 9.592 -3.074 1.00 71.42 C ATOM 1310 CD1 PHE A 82 3.334 10.166 -2.460 1.00 41.42 C ATOM 1311 CD2 PHE A 82 4.677 9.889 -4.414 1.00 23.44 C ATOM 1312 CE1 PHE A 82 2.498 11.004 -3.156 1.00 4.33 C ATOM 1313 CE2 PHE A 82 3.841 10.728 -5.105 1.00 51.20 C ATOM 1314 CZ PHE A 82 2.751 11.282 -4.475 1.00 30.51 C ATOM 0 H PHE A 82 4.501 8.105 -0.046 1.00 51.13 H new ATOM 0 HA PHE A 82 3.890 7.082 -2.617 1.00 32.53 H new ATOM 0 HB2 PHE A 82 5.667 9.152 -1.384 1.00 44.25 H new ATOM 0 HB3 PHE A 82 6.268 8.505 -2.898 1.00 44.25 H new ATOM 0 HD1 PHE A 82 3.129 9.951 -1.422 1.00 41.42 H new ATOM 0 HD2 PHE A 82 5.529 9.454 -4.914 1.00 23.44 H new ATOM 0 HE1 PHE A 82 1.642 11.444 -2.665 1.00 4.33 H new ATOM 0 HE2 PHE A 82 4.038 10.954 -6.143 1.00 51.20 H new ATOM 0 HZ PHE A 82 2.091 11.939 -5.022 1.00 30.51 H new ATOM 1324 N LYS A 83 6.806 6.048 -1.368 1.00 1.31 N ATOM 1325 CA LYS A 83 7.833 4.983 -1.525 1.00 41.52 C ATOM 1326 C LYS A 83 7.244 3.584 -1.204 1.00 24.31 C ATOM 1327 O LYS A 83 7.763 2.565 -1.661 1.00 74.03 O ATOM 1328 CB LYS A 83 9.110 5.292 -0.692 1.00 2.31 C ATOM 1329 CG LYS A 83 8.923 5.305 0.840 1.00 53.01 C ATOM 1330 CD LYS A 83 10.182 5.776 1.608 1.00 12.20 C ATOM 1331 CE LYS A 83 10.566 7.242 1.290 1.00 11.54 C ATOM 1332 NZ LYS A 83 11.762 7.687 2.048 1.00 52.10 N ATOM 0 H LYS A 83 6.957 6.665 -0.570 1.00 1.31 H new ATOM 0 HA LYS A 83 8.140 4.967 -2.571 1.00 41.52 H new ATOM 0 HB2 LYS A 83 9.871 4.552 -0.940 1.00 2.31 H new ATOM 0 HB3 LYS A 83 9.497 6.263 -1.001 1.00 2.31 H new ATOM 0 HG2 LYS A 83 8.087 5.958 1.091 1.00 53.01 H new ATOM 0 HG3 LYS A 83 8.656 4.303 1.175 1.00 53.01 H new ATOM 0 HD2 LYS A 83 10.007 5.675 2.679 1.00 12.20 H new ATOM 0 HD3 LYS A 83 11.019 5.124 1.359 1.00 12.20 H new ATOM 0 HE2 LYS A 83 10.758 7.342 0.222 1.00 11.54 H new ATOM 0 HE3 LYS A 83 9.725 7.895 1.525 1.00 11.54 H new ATOM 0 HZ1 LYS A 83 11.981 8.674 1.803 1.00 52.10 H new ATOM 0 HZ2 LYS A 83 11.572 7.618 3.068 1.00 52.10 H new ATOM 0 HZ3 LYS A 83 12.572 7.082 1.805 1.00 52.10 H new ATOM 1346 N HIS A 84 6.152 3.557 -0.407 1.00 55.02 N ATOM 1347 CA HIS A 84 5.437 2.315 -0.045 1.00 30.01 C ATOM 1348 C HIS A 84 4.561 1.784 -1.213 1.00 43.32 C ATOM 1349 O HIS A 84 4.627 0.602 -1.561 1.00 41.53 O ATOM 1350 CB HIS A 84 4.527 2.565 1.193 1.00 71.34 C ATOM 1351 CG HIS A 84 5.240 2.995 2.452 1.00 1.01 C ATOM 1352 ND1 HIS A 84 4.571 3.511 3.534 1.00 15.04 N ATOM 1353 CD2 HIS A 84 6.548 2.950 2.825 1.00 3.21 C ATOM 1354 CE1 HIS A 84 5.416 3.765 4.501 1.00 33.14 C ATOM 1355 NE2 HIS A 84 6.623 3.436 4.108 1.00 31.33 N ATOM 0 H HIS A 84 5.743 4.397 0.003 1.00 55.02 H new ATOM 0 HA HIS A 84 6.194 1.565 0.184 1.00 30.01 H new ATOM 0 HB2 HIS A 84 3.794 3.328 0.934 1.00 71.34 H new ATOM 0 HB3 HIS A 84 3.974 1.650 1.405 1.00 71.34 H new ATOM 0 HD2 HIS A 84 7.374 2.598 2.224 1.00 3.21 H new ATOM 0 HE1 HIS A 84 5.161 4.178 5.466 1.00 33.14 H new ATOM 0 HE2 HIS A 84 7.475 3.526 4.662 1.00 31.33 H new ATOM 1364 N LEU A 85 3.748 2.673 -1.822 1.00 63.32 N ATOM 1365 CA LEU A 85 2.734 2.264 -2.833 1.00 72.14 C ATOM 1366 C LEU A 85 3.119 2.660 -4.279 1.00 1.04 C ATOM 1367 O LEU A 85 2.709 2.011 -5.215 1.00 52.45 O ATOM 1368 CB LEU A 85 1.344 2.865 -2.467 1.00 62.30 C ATOM 1369 CG LEU A 85 0.800 2.550 -1.029 1.00 12.22 C ATOM 1370 CD1 LEU A 85 -0.611 3.144 -0.811 1.00 3.10 C ATOM 1371 CD2 LEU A 85 0.818 1.034 -0.738 1.00 44.41 C ATOM 0 H LEU A 85 3.769 3.676 -1.636 1.00 63.32 H new ATOM 0 HA LEU A 85 2.689 1.175 -2.809 1.00 72.14 H new ATOM 0 HB2 LEU A 85 1.400 3.948 -2.581 1.00 62.30 H new ATOM 0 HB3 LEU A 85 0.615 2.506 -3.193 1.00 62.30 H new ATOM 0 HG LEU A 85 1.471 3.031 -0.318 1.00 12.22 H new ATOM 0 HD11 LEU A 85 -0.955 2.906 0.196 1.00 3.10 H new ATOM 0 HD12 LEU A 85 -0.573 4.226 -0.935 1.00 3.10 H new ATOM 0 HD13 LEU A 85 -1.301 2.719 -1.540 1.00 3.10 H new ATOM 0 HD21 LEU A 85 0.435 0.852 0.266 1.00 44.41 H new ATOM 0 HD22 LEU A 85 0.192 0.517 -1.465 1.00 44.41 H new ATOM 0 HD23 LEU A 85 1.840 0.662 -0.809 1.00 44.41 H new ATOM 1383 N LEU A 86 3.885 3.739 -4.465 1.00 21.41 N ATOM 1384 CA LEU A 86 4.300 4.218 -5.824 1.00 73.44 C ATOM 1385 C LEU A 86 5.824 4.074 -6.073 1.00 15.32 C ATOM 1386 O LEU A 86 6.309 4.441 -7.149 1.00 43.12 O ATOM 1387 CB LEU A 86 3.849 5.696 -6.012 1.00 34.33 C ATOM 1388 CG LEU A 86 2.311 5.950 -5.915 1.00 25.13 C ATOM 1389 CD1 LEU A 86 1.976 7.454 -6.045 1.00 34.31 C ATOM 1390 CD2 LEU A 86 1.535 5.103 -6.953 1.00 13.32 C ATOM 0 H LEU A 86 4.241 4.312 -3.700 1.00 21.41 H new ATOM 0 HA LEU A 86 3.809 3.584 -6.562 1.00 73.44 H new ATOM 0 HB2 LEU A 86 4.348 6.308 -5.261 1.00 34.33 H new ATOM 0 HB3 LEU A 86 4.195 6.042 -6.986 1.00 34.33 H new ATOM 0 HG LEU A 86 1.987 5.631 -4.924 1.00 25.13 H new ATOM 0 HD11 LEU A 86 0.897 7.594 -5.973 1.00 34.31 H new ATOM 0 HD12 LEU A 86 2.468 8.007 -5.245 1.00 34.31 H new ATOM 0 HD13 LEU A 86 2.326 7.823 -7.009 1.00 34.31 H new ATOM 0 HD21 LEU A 86 0.467 5.302 -6.860 1.00 13.32 H new ATOM 0 HD22 LEU A 86 1.867 5.365 -7.958 1.00 13.32 H new ATOM 0 HD23 LEU A 86 1.724 4.045 -6.773 1.00 13.32 H new ATOM 1402 N GLY A 87 6.567 3.563 -5.061 1.00 23.23 N ATOM 1403 CA GLY A 87 8.020 3.291 -5.173 1.00 45.04 C ATOM 1404 C GLY A 87 8.893 4.508 -5.546 1.00 62.04 C ATOM 1405 O GLY A 87 9.985 4.344 -6.111 1.00 34.22 O ATOM 0 H GLY A 87 6.177 3.329 -4.148 1.00 23.23 H new ATOM 0 HA2 GLY A 87 8.372 2.890 -4.222 1.00 45.04 H new ATOM 0 HA3 GLY A 87 8.171 2.514 -5.922 1.00 45.04 H new ATOM 1409 N ARG A 88 8.406 5.729 -5.224 1.00 73.31 N ATOM 1410 CA ARG A 88 9.091 7.004 -5.562 1.00 52.01 C ATOM 1411 C ARG A 88 9.014 8.025 -4.398 1.00 23.33 C ATOM 1412 O ARG A 88 8.320 7.809 -3.405 1.00 52.22 O ATOM 1413 CB ARG A 88 8.501 7.616 -6.876 1.00 53.11 C ATOM 1414 CG ARG A 88 6.967 7.874 -6.876 1.00 42.40 C ATOM 1415 CD ARG A 88 6.485 8.598 -8.156 1.00 12.21 C ATOM 1416 NE ARG A 88 5.007 8.666 -8.262 1.00 53.21 N ATOM 1417 CZ ARG A 88 4.296 9.758 -8.463 1.00 2.21 C ATOM 1418 NH1 ARG A 88 4.836 10.942 -8.422 1.00 34.22 N ATOM 1419 NH2 ARG A 88 3.029 9.662 -8.680 1.00 60.53 N ATOM 0 H ARG A 88 7.528 5.861 -4.723 1.00 73.31 H new ATOM 0 HA ARG A 88 10.144 6.776 -5.727 1.00 52.01 H new ATOM 0 HB2 ARG A 88 9.009 8.560 -7.074 1.00 53.11 H new ATOM 0 HB3 ARG A 88 8.737 6.947 -7.704 1.00 53.11 H new ATOM 0 HG2 ARG A 88 6.442 6.923 -6.782 1.00 42.40 H new ATOM 0 HG3 ARG A 88 6.703 8.472 -6.004 1.00 42.40 H new ATOM 0 HD2 ARG A 88 6.892 9.609 -8.170 1.00 12.21 H new ATOM 0 HD3 ARG A 88 6.883 8.083 -9.030 1.00 12.21 H new ATOM 0 HE ARG A 88 4.494 7.789 -8.171 1.00 53.21 H new ATOM 0 HH11 ARG A 88 5.833 11.041 -8.231 1.00 34.22 H new ATOM 0 HH12 ARG A 88 4.262 11.770 -8.581 1.00 34.22 H new ATOM 0 HH21 ARG A 88 2.582 8.745 -8.695 1.00 60.53 H new ATOM 0 HH22 ARG A 88 2.473 10.503 -8.836 1.00 60.53 H new ATOM 1433 N ALA A 89 9.752 9.139 -4.547 1.00 71.23 N ATOM 1434 CA ALA A 89 9.846 10.218 -3.535 1.00 44.20 C ATOM 1435 C ALA A 89 9.162 11.519 -4.051 1.00 73.12 C ATOM 1436 O ALA A 89 9.544 12.033 -5.110 1.00 73.25 O ATOM 1437 CB ALA A 89 11.329 10.471 -3.192 1.00 51.34 C ATOM 0 H ALA A 89 10.308 9.322 -5.382 1.00 71.23 H new ATOM 0 HA ALA A 89 9.322 9.908 -2.631 1.00 44.20 H new ATOM 0 HB1 ALA A 89 11.400 11.264 -2.448 1.00 51.34 H new ATOM 0 HB2 ALA A 89 11.771 9.558 -2.793 1.00 51.34 H new ATOM 0 HB3 ALA A 89 11.865 10.770 -4.093 1.00 51.34 H new ATOM 1443 N PRO A 90 8.131 12.070 -3.325 1.00 3.12 N ATOM 1444 CA PRO A 90 7.440 13.310 -3.728 1.00 14.20 C ATOM 1445 C PRO A 90 8.218 14.573 -3.275 1.00 53.31 C ATOM 1446 O PRO A 90 7.895 15.220 -2.269 1.00 45.42 O ATOM 1447 CB PRO A 90 6.064 13.177 -3.036 1.00 5.32 C ATOM 1448 CG PRO A 90 6.373 12.452 -1.757 1.00 41.00 C ATOM 1449 CD PRO A 90 7.579 11.550 -2.049 1.00 22.11 C ATOM 0 HA PRO A 90 7.355 13.429 -4.808 1.00 14.20 H new ATOM 0 HB2 PRO A 90 5.617 14.152 -2.845 1.00 5.32 H new ATOM 0 HB3 PRO A 90 5.359 12.619 -3.652 1.00 5.32 H new ATOM 0 HG2 PRO A 90 6.600 13.156 -0.957 1.00 41.00 H new ATOM 0 HG3 PRO A 90 5.517 11.862 -1.429 1.00 41.00 H new ATOM 0 HD2 PRO A 90 8.316 11.601 -1.248 1.00 22.11 H new ATOM 0 HD3 PRO A 90 7.281 10.506 -2.142 1.00 22.11 H new ATOM 1457 N TYR A 91 9.292 14.874 -4.012 1.00 22.41 N ATOM 1458 CA TYR A 91 10.081 16.112 -3.819 1.00 53.04 C ATOM 1459 C TYR A 91 9.295 17.348 -4.326 1.00 50.14 C ATOM 1460 O TYR A 91 9.589 18.488 -3.948 1.00 5.31 O ATOM 1461 CB TYR A 91 11.463 15.987 -4.525 1.00 31.02 C ATOM 1462 CG TYR A 91 11.380 15.679 -6.033 1.00 71.34 C ATOM 1463 CD1 TYR A 91 11.261 16.703 -6.975 1.00 31.51 C ATOM 1464 CD2 TYR A 91 11.403 14.362 -6.508 1.00 22.33 C ATOM 1465 CE1 TYR A 91 11.163 16.430 -8.324 1.00 44.43 C ATOM 1466 CE2 TYR A 91 11.311 14.085 -7.856 1.00 4.41 C ATOM 1467 CZ TYR A 91 11.191 15.117 -8.760 1.00 13.11 C ATOM 1468 OH TYR A 91 11.087 14.835 -10.107 1.00 42.43 O ATOM 0 H TYR A 91 9.644 14.274 -4.758 1.00 22.41 H new ATOM 0 HA TYR A 91 10.259 16.251 -2.753 1.00 53.04 H new ATOM 0 HB2 TYR A 91 12.014 16.917 -4.386 1.00 31.02 H new ATOM 0 HB3 TYR A 91 12.037 15.200 -4.037 1.00 31.02 H new ATOM 0 HD1 TYR A 91 11.245 17.730 -6.641 1.00 31.51 H new ATOM 0 HD2 TYR A 91 11.495 13.547 -5.805 1.00 22.33 H new ATOM 0 HE1 TYR A 91 11.065 17.237 -9.036 1.00 44.43 H new ATOM 0 HE2 TYR A 91 11.333 13.062 -8.202 1.00 4.41 H new ATOM 0 HH TYR A 91 11.125 13.865 -10.242 1.00 42.43 H new ATOM 1478 N ASP A 92 8.299 17.091 -5.199 1.00 74.35 N ATOM 1479 CA ASP A 92 7.400 18.119 -5.737 1.00 71.12 C ATOM 1480 C ASP A 92 6.390 18.560 -4.655 1.00 12.23 C ATOM 1481 O ASP A 92 5.582 17.746 -4.196 1.00 15.02 O ATOM 1482 CB ASP A 92 6.628 17.560 -6.959 1.00 12.12 C ATOM 1483 CG ASP A 92 7.535 16.996 -8.056 1.00 73.33 C ATOM 1484 OD1 ASP A 92 7.922 15.809 -7.968 1.00 11.44 O ATOM 1485 OD2 ASP A 92 7.867 17.740 -9.005 1.00 73.35 O ATOM 0 H ASP A 92 8.099 16.154 -5.550 1.00 74.35 H new ATOM 0 HA ASP A 92 7.997 18.977 -6.045 1.00 71.12 H new ATOM 0 HB2 ASP A 92 5.950 16.776 -6.621 1.00 12.12 H new ATOM 0 HB3 ASP A 92 6.012 18.353 -7.382 1.00 12.12 H new ATOM 1490 N GLN A 93 6.443 19.837 -4.251 1.00 21.04 N ATOM 1491 CA GLN A 93 5.484 20.398 -3.260 1.00 61.40 C ATOM 1492 C GLN A 93 4.031 20.440 -3.799 1.00 71.12 C ATOM 1493 O GLN A 93 3.087 20.377 -3.015 1.00 34.34 O ATOM 1494 CB GLN A 93 5.922 21.807 -2.781 1.00 13.15 C ATOM 1495 CG GLN A 93 7.212 21.822 -1.930 1.00 3.03 C ATOM 1496 CD GLN A 93 7.446 23.161 -1.222 1.00 23.22 C ATOM 1497 OE1 GLN A 93 8.115 24.050 -1.735 1.00 32.23 O ATOM 1498 NE2 GLN A 93 6.866 23.327 -0.048 1.00 2.52 N ATOM 0 H GLN A 93 7.134 20.508 -4.588 1.00 21.04 H new ATOM 0 HA GLN A 93 5.497 19.721 -2.406 1.00 61.40 H new ATOM 0 HB2 GLN A 93 6.070 22.444 -3.653 1.00 13.15 H new ATOM 0 HB3 GLN A 93 5.112 22.247 -2.199 1.00 13.15 H new ATOM 0 HG2 GLN A 93 7.159 21.028 -1.185 1.00 3.03 H new ATOM 0 HG3 GLN A 93 8.066 21.602 -2.571 1.00 3.03 H new ATOM 0 HE21 GLN A 93 6.314 22.572 0.359 1.00 2.52 H new ATOM 0 HE22 GLN A 93 6.970 24.210 0.452 1.00 2.52 H new ATOM 1507 N ALA A 94 3.864 20.551 -5.132 1.00 14.04 N ATOM 1508 CA ALA A 94 2.538 20.435 -5.798 1.00 0.53 C ATOM 1509 C ALA A 94 1.948 19.014 -5.649 1.00 32.24 C ATOM 1510 O ALA A 94 0.742 18.847 -5.457 1.00 3.25 O ATOM 1511 CB ALA A 94 2.659 20.816 -7.283 1.00 43.43 C ATOM 0 H ALA A 94 4.634 20.722 -5.779 1.00 14.04 H new ATOM 0 HA ALA A 94 1.853 21.126 -5.307 1.00 0.53 H new ATOM 0 HB1 ALA A 94 1.684 20.728 -7.762 1.00 43.43 H new ATOM 0 HB2 ALA A 94 3.013 21.843 -7.367 1.00 43.43 H new ATOM 0 HB3 ALA A 94 3.366 20.147 -7.774 1.00 43.43 H new ATOM 1517 N GLU A 95 2.833 18.007 -5.728 1.00 20.25 N ATOM 1518 CA GLU A 95 2.476 16.578 -5.582 1.00 13.41 C ATOM 1519 C GLU A 95 2.058 16.256 -4.120 1.00 40.32 C ATOM 1520 O GLU A 95 1.036 15.605 -3.880 1.00 33.22 O ATOM 1521 CB GLU A 95 3.694 15.715 -6.010 1.00 62.32 C ATOM 1522 CG GLU A 95 3.474 14.196 -6.045 1.00 50.31 C ATOM 1523 CD GLU A 95 2.563 13.706 -7.189 1.00 13.10 C ATOM 1524 OE1 GLU A 95 1.324 13.660 -7.015 1.00 74.42 O ATOM 1525 OE2 GLU A 95 3.083 13.354 -8.271 1.00 15.31 O ATOM 0 H GLU A 95 3.827 18.159 -5.897 1.00 20.25 H new ATOM 0 HA GLU A 95 1.623 16.350 -6.221 1.00 13.41 H new ATOM 0 HB2 GLU A 95 4.010 16.038 -7.002 1.00 62.32 H new ATOM 0 HB3 GLU A 95 4.518 15.925 -5.329 1.00 62.32 H new ATOM 0 HG2 GLU A 95 4.442 13.704 -6.133 1.00 50.31 H new ATOM 0 HG3 GLU A 95 3.042 13.883 -5.095 1.00 50.31 H new ATOM 1532 N VAL A 96 2.857 16.761 -3.154 1.00 0.31 N ATOM 1533 CA VAL A 96 2.602 16.592 -1.703 1.00 3.24 C ATOM 1534 C VAL A 96 1.275 17.278 -1.291 1.00 51.52 C ATOM 1535 O VAL A 96 0.428 16.660 -0.651 1.00 64.24 O ATOM 1536 CB VAL A 96 3.797 17.168 -0.848 1.00 42.31 C ATOM 1537 CG1 VAL A 96 3.521 17.078 0.680 1.00 65.15 C ATOM 1538 CG2 VAL A 96 5.126 16.460 -1.208 1.00 71.03 C ATOM 0 H VAL A 96 3.699 17.299 -3.358 1.00 0.31 H new ATOM 0 HA VAL A 96 2.518 15.523 -1.505 1.00 3.24 H new ATOM 0 HB VAL A 96 3.889 18.225 -1.098 1.00 42.31 H new ATOM 0 HG11 VAL A 96 4.370 17.486 1.228 1.00 65.15 H new ATOM 0 HG12 VAL A 96 2.625 17.649 0.922 1.00 65.15 H new ATOM 0 HG13 VAL A 96 3.374 16.036 0.962 1.00 65.15 H new ATOM 0 HG21 VAL A 96 5.934 16.875 -0.605 1.00 71.03 H new ATOM 0 HG22 VAL A 96 5.035 15.392 -1.008 1.00 71.03 H new ATOM 0 HG23 VAL A 96 5.346 16.614 -2.265 1.00 71.03 H new ATOM 1548 N ALA A 97 1.115 18.552 -1.698 1.00 3.14 N ATOM 1549 CA ALA A 97 -0.086 19.371 -1.395 1.00 21.23 C ATOM 1550 C ALA A 97 -1.376 18.788 -2.023 1.00 54.53 C ATOM 1551 O ALA A 97 -2.458 18.908 -1.441 1.00 64.52 O ATOM 1552 CB ALA A 97 0.126 20.823 -1.858 1.00 13.00 C ATOM 0 H ALA A 97 1.815 19.049 -2.249 1.00 3.14 H new ATOM 0 HA ALA A 97 -0.221 19.352 -0.314 1.00 21.23 H new ATOM 0 HB1 ALA A 97 -0.763 21.411 -1.629 1.00 13.00 H new ATOM 0 HB2 ALA A 97 0.986 21.248 -1.340 1.00 13.00 H new ATOM 0 HB3 ALA A 97 0.305 20.840 -2.933 1.00 13.00 H new ATOM 1558 N ALA A 98 -1.249 18.172 -3.217 1.00 20.11 N ATOM 1559 CA ALA A 98 -2.385 17.520 -3.918 1.00 72.31 C ATOM 1560 C ALA A 98 -2.940 16.322 -3.113 1.00 35.24 C ATOM 1561 O ALA A 98 -4.152 16.202 -2.900 1.00 24.14 O ATOM 1562 CB ALA A 98 -1.956 17.067 -5.321 1.00 32.23 C ATOM 0 H ALA A 98 -0.365 18.110 -3.722 1.00 20.11 H new ATOM 0 HA ALA A 98 -3.184 18.256 -4.010 1.00 72.31 H new ATOM 0 HB1 ALA A 98 -2.798 16.591 -5.823 1.00 32.23 H new ATOM 0 HB2 ALA A 98 -1.631 17.932 -5.899 1.00 32.23 H new ATOM 0 HB3 ALA A 98 -1.134 16.356 -5.238 1.00 32.23 H new ATOM 1568 N HIS A 99 -2.026 15.451 -2.653 1.00 11.53 N ATOM 1569 CA HIS A 99 -2.378 14.265 -1.839 1.00 43.23 C ATOM 1570 C HIS A 99 -2.763 14.637 -0.395 1.00 3.03 C ATOM 1571 O HIS A 99 -3.556 13.940 0.227 1.00 34.34 O ATOM 1572 CB HIS A 99 -1.218 13.244 -1.869 1.00 43.02 C ATOM 1573 CG HIS A 99 -1.107 12.548 -3.196 1.00 71.21 C ATOM 1574 ND1 HIS A 99 -1.853 11.436 -3.511 1.00 55.04 N ATOM 1575 CD2 HIS A 99 -0.384 12.834 -4.301 1.00 31.11 C ATOM 1576 CE1 HIS A 99 -1.598 11.068 -4.749 1.00 32.13 C ATOM 1577 NE2 HIS A 99 -0.709 11.900 -5.249 1.00 11.33 N ATOM 0 H HIS A 99 -1.026 15.544 -2.831 1.00 11.53 H new ATOM 0 HA HIS A 99 -3.263 13.807 -2.281 1.00 43.23 H new ATOM 0 HB2 HIS A 99 -0.281 13.755 -1.650 1.00 43.02 H new ATOM 0 HB3 HIS A 99 -1.368 12.503 -1.084 1.00 43.02 H new ATOM 0 HD2 HIS A 99 0.318 13.646 -4.415 1.00 31.11 H new ATOM 0 HE1 HIS A 99 -2.041 10.229 -5.265 1.00 32.13 H new ATOM 0 HE2 HIS A 99 -0.323 11.856 -6.192 1.00 11.33 H new ATOM 1586 N ALA A 100 -2.192 15.734 0.125 1.00 54.02 N ATOM 1587 CA ALA A 100 -2.595 16.317 1.423 1.00 4.21 C ATOM 1588 C ALA A 100 -4.050 16.828 1.386 1.00 62.52 C ATOM 1589 O ALA A 100 -4.804 16.632 2.337 1.00 72.44 O ATOM 1590 CB ALA A 100 -1.641 17.453 1.814 1.00 54.01 C ATOM 0 H ALA A 100 -1.439 16.244 -0.338 1.00 54.02 H new ATOM 0 HA ALA A 100 -2.538 15.530 2.175 1.00 4.21 H new ATOM 0 HB1 ALA A 100 -1.949 17.873 2.771 1.00 54.01 H new ATOM 0 HB2 ALA A 100 -0.627 17.063 1.898 1.00 54.01 H new ATOM 0 HB3 ALA A 100 -1.669 18.230 1.051 1.00 54.01 H new ATOM 1596 N ALA A 101 -4.429 17.472 0.269 1.00 20.24 N ATOM 1597 CA ALA A 101 -5.795 18.007 0.064 1.00 20.42 C ATOM 1598 C ALA A 101 -6.831 16.865 -0.088 1.00 42.33 C ATOM 1599 O ALA A 101 -7.956 16.965 0.413 1.00 2.23 O ATOM 1600 CB ALA A 101 -5.825 18.933 -1.160 1.00 40.32 C ATOM 0 H ALA A 101 -3.802 17.638 -0.518 1.00 20.24 H new ATOM 0 HA ALA A 101 -6.068 18.585 0.947 1.00 20.42 H new ATOM 0 HB1 ALA A 101 -6.835 19.319 -1.299 1.00 40.32 H new ATOM 0 HB2 ALA A 101 -5.137 19.764 -1.005 1.00 40.32 H new ATOM 0 HB3 ALA A 101 -5.525 18.374 -2.046 1.00 40.32 H new ATOM 1606 N THR A 102 -6.424 15.783 -0.783 1.00 32.41 N ATOM 1607 CA THR A 102 -7.241 14.545 -0.913 1.00 25.13 C ATOM 1608 C THR A 102 -7.430 13.874 0.469 1.00 35.25 C ATOM 1609 O THR A 102 -8.535 13.472 0.836 1.00 74.03 O ATOM 1610 CB THR A 102 -6.586 13.522 -1.913 1.00 72.51 C ATOM 1611 OG1 THR A 102 -6.369 14.163 -3.182 1.00 51.21 O ATOM 1612 CG2 THR A 102 -7.456 12.261 -2.132 1.00 12.43 C ATOM 0 H THR A 102 -5.528 15.736 -1.269 1.00 32.41 H new ATOM 0 HA THR A 102 -8.213 14.836 -1.310 1.00 25.13 H new ATOM 0 HB THR A 102 -5.643 13.202 -1.470 1.00 72.51 H new ATOM 0 HG1 THR A 102 -5.642 14.815 -3.099 1.00 51.21 H new ATOM 0 HG21 THR A 102 -6.955 11.590 -2.831 1.00 12.43 H new ATOM 0 HG22 THR A 102 -7.602 11.750 -1.180 1.00 12.43 H new ATOM 0 HG23 THR A 102 -8.424 12.553 -2.540 1.00 12.43 H new ATOM 1620 N TYR A 103 -6.326 13.784 1.224 1.00 51.24 N ATOM 1621 CA TYR A 103 -6.284 13.269 2.610 1.00 22.40 C ATOM 1622 C TYR A 103 -7.251 14.039 3.560 1.00 13.12 C ATOM 1623 O TYR A 103 -8.009 13.433 4.311 1.00 31.21 O ATOM 1624 CB TYR A 103 -4.815 13.398 3.111 1.00 33.02 C ATOM 1625 CG TYR A 103 -4.479 12.712 4.443 1.00 34.43 C ATOM 1626 CD1 TYR A 103 -4.793 13.302 5.676 1.00 41.22 C ATOM 1627 CD2 TYR A 103 -3.829 11.475 4.468 1.00 3.53 C ATOM 1628 CE1 TYR A 103 -4.472 12.684 6.871 1.00 3.23 C ATOM 1629 CE2 TYR A 103 -3.505 10.862 5.660 1.00 61.53 C ATOM 1630 CZ TYR A 103 -3.829 11.465 6.855 1.00 2.23 C ATOM 1631 OH TYR A 103 -3.505 10.840 8.040 1.00 64.11 O ATOM 0 H TYR A 103 -5.410 14.074 0.883 1.00 51.24 H new ATOM 0 HA TYR A 103 -6.615 12.230 2.617 1.00 22.40 H new ATOM 0 HB2 TYR A 103 -4.157 12.992 2.343 1.00 33.02 H new ATOM 0 HB3 TYR A 103 -4.579 14.458 3.205 1.00 33.02 H new ATOM 0 HD1 TYR A 103 -5.295 14.258 5.693 1.00 41.22 H new ATOM 0 HD2 TYR A 103 -3.576 10.990 3.537 1.00 3.53 H new ATOM 0 HE1 TYR A 103 -4.724 13.154 7.810 1.00 3.23 H new ATOM 0 HE2 TYR A 103 -2.997 9.909 5.656 1.00 61.53 H new ATOM 0 HH TYR A 103 -2.821 11.362 8.509 1.00 64.11 H new ATOM 1641 N HIS A 104 -7.182 15.379 3.531 1.00 41.23 N ATOM 1642 CA HIS A 104 -7.948 16.244 4.463 1.00 34.22 C ATOM 1643 C HIS A 104 -9.448 16.364 4.081 1.00 21.45 C ATOM 1644 O HIS A 104 -10.314 16.335 4.957 1.00 74.04 O ATOM 1645 CB HIS A 104 -7.281 17.644 4.566 1.00 42.34 C ATOM 1646 CG HIS A 104 -5.886 17.618 5.158 1.00 73.40 C ATOM 1647 ND1 HIS A 104 -5.495 16.714 6.120 1.00 21.21 N ATOM 1648 CD2 HIS A 104 -4.787 18.377 4.906 1.00 55.13 C ATOM 1649 CE1 HIS A 104 -4.234 16.913 6.433 1.00 51.01 C ATOM 1650 NE2 HIS A 104 -3.779 17.913 5.713 1.00 74.21 N ATOM 0 H HIS A 104 -6.602 15.896 2.871 1.00 41.23 H new ATOM 0 HA HIS A 104 -7.923 15.765 5.442 1.00 34.22 H new ATOM 0 HB2 HIS A 104 -7.235 18.088 3.571 1.00 42.34 H new ATOM 0 HB3 HIS A 104 -7.911 18.292 5.175 1.00 42.34 H new ATOM 0 HD2 HIS A 104 -4.720 19.193 4.202 1.00 55.13 H new ATOM 0 HE1 HIS A 104 -3.668 16.349 7.160 1.00 51.01 H new ATOM 0 HE2 HIS A 104 -2.830 18.285 5.748 1.00 74.21 H new ATOM 1659 N SER A 105 -9.745 16.495 2.774 1.00 41.54 N ATOM 1660 CA SER A 105 -11.142 16.716 2.289 1.00 21.42 C ATOM 1661 C SER A 105 -11.929 15.392 2.111 1.00 21.42 C ATOM 1662 O SER A 105 -13.120 15.328 2.416 1.00 1.41 O ATOM 1663 CB SER A 105 -11.135 17.492 0.946 1.00 73.30 C ATOM 1664 OG SER A 105 -12.451 17.792 0.486 1.00 45.23 O ATOM 0 H SER A 105 -9.048 16.454 2.030 1.00 41.54 H new ATOM 0 HA SER A 105 -11.647 17.303 3.057 1.00 21.42 H new ATOM 0 HB2 SER A 105 -10.575 18.419 1.068 1.00 73.30 H new ATOM 0 HB3 SER A 105 -10.615 16.902 0.191 1.00 73.30 H new ATOM 0 HG SER A 105 -12.398 18.282 -0.361 1.00 45.23 H new ATOM 1670 N HIS A 106 -11.247 14.335 1.627 1.00 53.32 N ATOM 1671 CA HIS A 106 -11.897 13.030 1.296 1.00 21.32 C ATOM 1672 C HIS A 106 -11.572 11.921 2.331 1.00 33.55 C ATOM 1673 O HIS A 106 -12.220 10.873 2.336 1.00 43.31 O ATOM 1674 CB HIS A 106 -11.458 12.567 -0.120 1.00 1.32 C ATOM 1675 CG HIS A 106 -11.780 13.534 -1.230 1.00 13.14 C ATOM 1676 ND1 HIS A 106 -12.900 13.421 -2.022 1.00 63.31 N ATOM 1677 CD2 HIS A 106 -11.113 14.623 -1.693 1.00 33.10 C ATOM 1678 CE1 HIS A 106 -12.911 14.386 -2.913 1.00 3.22 C ATOM 1679 NE2 HIS A 106 -11.841 15.129 -2.738 1.00 10.43 N ATOM 0 H HIS A 106 -10.242 14.350 1.453 1.00 53.32 H new ATOM 0 HA HIS A 106 -12.974 13.193 1.323 1.00 21.32 H new ATOM 0 HB2 HIS A 106 -10.382 12.390 -0.112 1.00 1.32 H new ATOM 0 HB3 HIS A 106 -11.936 11.612 -0.339 1.00 1.32 H new ATOM 0 HD2 HIS A 106 -10.183 15.016 -1.309 1.00 33.10 H new ATOM 0 HE1 HIS A 106 -13.672 14.543 -3.664 1.00 3.22 H new ATOM 0 HE2 HIS A 106 -11.593 15.950 -3.291 1.00 10.43 H new ATOM 1688 N GLY A 107 -10.563 12.155 3.185 1.00 71.24 N ATOM 1689 CA GLY A 107 -10.121 11.155 4.176 1.00 63.52 C ATOM 1690 C GLY A 107 -8.860 10.404 3.728 1.00 33.34 C ATOM 1691 O GLY A 107 -8.594 10.297 2.520 1.00 74.52 O ATOM 0 H GLY A 107 -10.036 13.028 3.211 1.00 71.24 H new ATOM 0 HA2 GLY A 107 -9.926 11.651 5.127 1.00 63.52 H new ATOM 0 HA3 GLY A 107 -10.925 10.439 4.349 1.00 63.52 H new ATOM 1695 N TYR A 108 -8.085 9.888 4.711 1.00 74.13 N ATOM 1696 CA TYR A 108 -6.827 9.131 4.461 1.00 63.14 C ATOM 1697 C TYR A 108 -7.057 7.912 3.544 1.00 55.44 C ATOM 1698 O TYR A 108 -6.208 7.564 2.732 1.00 4.45 O ATOM 1699 CB TYR A 108 -6.177 8.676 5.805 1.00 12.15 C ATOM 1700 CG TYR A 108 -6.999 7.680 6.650 1.00 50.34 C ATOM 1701 CD1 TYR A 108 -7.953 8.125 7.568 1.00 3.22 C ATOM 1702 CD2 TYR A 108 -6.811 6.294 6.533 1.00 72.22 C ATOM 1703 CE1 TYR A 108 -8.682 7.234 8.331 1.00 61.22 C ATOM 1704 CE2 TYR A 108 -7.543 5.402 7.292 1.00 23.50 C ATOM 1705 CZ TYR A 108 -8.476 5.877 8.188 1.00 54.41 C ATOM 1706 OH TYR A 108 -9.198 4.988 8.959 1.00 32.30 O ATOM 0 H TYR A 108 -8.311 9.983 5.701 1.00 74.13 H new ATOM 0 HA TYR A 108 -6.145 9.809 3.948 1.00 63.14 H new ATOM 0 HB2 TYR A 108 -5.211 8.223 5.583 1.00 12.15 H new ATOM 0 HB3 TYR A 108 -5.983 9.562 6.410 1.00 12.15 H new ATOM 0 HD1 TYR A 108 -8.124 9.185 7.683 1.00 3.22 H new ATOM 0 HD2 TYR A 108 -6.078 5.917 5.835 1.00 72.22 H new ATOM 0 HE1 TYR A 108 -9.412 7.599 9.038 1.00 61.22 H new ATOM 0 HE2 TYR A 108 -7.385 4.339 7.184 1.00 23.50 H new ATOM 0 HH TYR A 108 -8.934 4.071 8.735 1.00 32.30 H new ATOM 1716 N ASP A 109 -8.231 7.294 3.710 1.00 5.11 N ATOM 1717 CA ASP A 109 -8.646 6.087 2.980 1.00 34.31 C ATOM 1718 C ASP A 109 -8.766 6.335 1.456 1.00 43.34 C ATOM 1719 O ASP A 109 -8.308 5.518 0.653 1.00 73.31 O ATOM 1720 CB ASP A 109 -9.971 5.543 3.585 1.00 14.52 C ATOM 1721 CG ASP A 109 -11.101 6.589 3.609 1.00 3.13 C ATOM 1722 OD1 ASP A 109 -10.991 7.579 4.367 1.00 43.42 O ATOM 1723 OD2 ASP A 109 -12.094 6.433 2.873 1.00 34.01 O ATOM 0 H ASP A 109 -8.936 7.624 4.369 1.00 5.11 H new ATOM 0 HA ASP A 109 -7.870 5.331 3.098 1.00 34.31 H new ATOM 0 HB2 ASP A 109 -10.298 4.678 3.008 1.00 14.52 H new ATOM 0 HB3 ASP A 109 -9.784 5.197 4.601 1.00 14.52 H new ATOM 1728 N ALA A 110 -9.357 7.484 1.075 1.00 25.40 N ATOM 1729 CA ALA A 110 -9.484 7.893 -0.345 1.00 71.45 C ATOM 1730 C ALA A 110 -8.105 8.224 -0.964 1.00 41.31 C ATOM 1731 O ALA A 110 -7.870 7.958 -2.154 1.00 63.43 O ATOM 1732 CB ALA A 110 -10.428 9.091 -0.464 1.00 1.13 C ATOM 0 H ALA A 110 -9.758 8.152 1.733 1.00 25.40 H new ATOM 0 HA ALA A 110 -9.902 7.055 -0.902 1.00 71.45 H new ATOM 0 HB1 ALA A 110 -10.514 9.384 -1.510 1.00 1.13 H new ATOM 0 HB2 ALA A 110 -11.411 8.819 -0.081 1.00 1.13 H new ATOM 0 HB3 ALA A 110 -10.032 9.925 0.114 1.00 1.13 H new ATOM 1738 N ASP A 111 -7.204 8.810 -0.135 1.00 63.14 N ATOM 1739 CA ASP A 111 -5.813 9.103 -0.540 1.00 12.42 C ATOM 1740 C ASP A 111 -5.050 7.794 -0.853 1.00 13.31 C ATOM 1741 O ASP A 111 -4.474 7.667 -1.919 1.00 30.22 O ATOM 1742 CB ASP A 111 -5.065 9.932 0.547 1.00 73.34 C ATOM 1743 CG ASP A 111 -3.631 10.318 0.117 1.00 2.33 C ATOM 1744 OD1 ASP A 111 -3.495 11.025 -0.907 1.00 44.14 O ATOM 1745 OD2 ASP A 111 -2.644 9.887 0.767 1.00 42.42 O ATOM 0 H ASP A 111 -7.422 9.088 0.822 1.00 63.14 H new ATOM 0 HA ASP A 111 -5.851 9.707 -1.447 1.00 12.42 H new ATOM 0 HB2 ASP A 111 -5.632 10.838 0.762 1.00 73.34 H new ATOM 0 HB3 ASP A 111 -5.021 9.356 1.471 1.00 73.34 H new ATOM 1750 N ILE A 112 -5.132 6.805 0.060 1.00 53.31 N ATOM 1751 CA ILE A 112 -4.485 5.473 -0.115 1.00 52.24 C ATOM 1752 C ILE A 112 -4.965 4.791 -1.422 1.00 72.30 C ATOM 1753 O ILE A 112 -4.152 4.334 -2.233 1.00 42.42 O ATOM 1754 CB ILE A 112 -4.802 4.525 1.108 1.00 0.35 C ATOM 1755 CG1 ILE A 112 -4.195 5.083 2.441 1.00 31.32 C ATOM 1756 CG2 ILE A 112 -4.344 3.062 0.849 1.00 35.21 C ATOM 1757 CD1 ILE A 112 -2.681 5.114 2.500 1.00 0.42 C ATOM 0 H ILE A 112 -5.644 6.898 0.937 1.00 53.31 H new ATOM 0 HA ILE A 112 -3.409 5.640 -0.170 1.00 52.24 H new ATOM 0 HB ILE A 112 -5.886 4.506 1.219 1.00 0.35 H new ATOM 0 HG12 ILE A 112 -4.569 6.095 2.596 1.00 31.32 H new ATOM 0 HG13 ILE A 112 -4.562 4.477 3.270 1.00 31.32 H new ATOM 0 HG21 ILE A 112 -4.582 2.447 1.717 1.00 35.21 H new ATOM 0 HG22 ILE A 112 -4.860 2.669 -0.027 1.00 35.21 H new ATOM 0 HG23 ILE A 112 -3.268 3.043 0.675 1.00 35.21 H new ATOM 0 HD11 ILE A 112 -2.363 5.516 3.462 1.00 0.42 H new ATOM 0 HD12 ILE A 112 -2.292 4.103 2.383 1.00 0.42 H new ATOM 0 HD13 ILE A 112 -2.298 5.745 1.698 1.00 0.42 H new ATOM 1769 N ASN A 113 -6.298 4.780 -1.618 1.00 61.15 N ATOM 1770 CA ASN A 113 -6.948 4.175 -2.801 1.00 34.42 C ATOM 1771 C ASN A 113 -6.530 4.866 -4.120 1.00 45.44 C ATOM 1772 O ASN A 113 -6.509 4.222 -5.166 1.00 40.23 O ATOM 1773 CB ASN A 113 -8.487 4.187 -2.639 1.00 33.40 C ATOM 1774 CG ASN A 113 -8.975 3.285 -1.506 1.00 61.51 C ATOM 1775 OD1 ASN A 113 -8.358 2.276 -1.186 1.00 72.13 O ATOM 1776 ND2 ASN A 113 -10.093 3.629 -0.904 1.00 73.03 N ATOM 0 H ASN A 113 -6.958 5.192 -0.959 1.00 61.15 H new ATOM 0 HA ASN A 113 -6.607 3.141 -2.863 1.00 34.42 H new ATOM 0 HB2 ASN A 113 -8.819 5.208 -2.452 1.00 33.40 H new ATOM 0 HB3 ASN A 113 -8.948 3.868 -3.574 1.00 33.40 H new ATOM 0 HD21 ASN A 113 -10.466 3.050 -0.151 1.00 73.03 H new ATOM 0 HD22 ASN A 113 -10.587 4.474 -1.190 1.00 73.03 H new ATOM 1783 N SER A 114 -6.208 6.178 -4.056 1.00 60.51 N ATOM 1784 CA SER A 114 -5.655 6.935 -5.213 1.00 11.30 C ATOM 1785 C SER A 114 -4.323 6.313 -5.711 1.00 74.40 C ATOM 1786 O SER A 114 -4.094 6.210 -6.921 1.00 33.45 O ATOM 1787 CB SER A 114 -5.438 8.425 -4.841 1.00 42.25 C ATOM 1788 OG SER A 114 -4.874 9.166 -5.917 1.00 72.45 O ATOM 0 H SER A 114 -6.321 6.741 -3.213 1.00 60.51 H new ATOM 0 HA SER A 114 -6.383 6.875 -6.022 1.00 11.30 H new ATOM 0 HB2 SER A 114 -6.391 8.870 -4.555 1.00 42.25 H new ATOM 0 HB3 SER A 114 -4.782 8.490 -3.973 1.00 42.25 H new ATOM 0 HG SER A 114 -4.754 10.100 -5.644 1.00 72.45 H new ATOM 1794 N TYR A 115 -3.467 5.872 -4.758 1.00 63.23 N ATOM 1795 CA TYR A 115 -2.168 5.224 -5.077 1.00 71.40 C ATOM 1796 C TYR A 115 -2.410 3.795 -5.620 1.00 2.23 C ATOM 1797 O TYR A 115 -1.748 3.367 -6.564 1.00 34.13 O ATOM 1798 CB TYR A 115 -1.251 5.117 -3.821 1.00 11.11 C ATOM 1799 CG TYR A 115 -0.826 6.435 -3.142 1.00 44.42 C ATOM 1800 CD1 TYR A 115 -1.742 7.442 -2.887 1.00 44.44 C ATOM 1801 CD2 TYR A 115 0.483 6.640 -2.694 1.00 21.44 C ATOM 1802 CE1 TYR A 115 -1.392 8.593 -2.231 1.00 30.25 C ATOM 1803 CE2 TYR A 115 0.840 7.806 -2.044 1.00 72.41 C ATOM 1804 CZ TYR A 115 -0.107 8.776 -1.809 1.00 11.34 C ATOM 1805 OH TYR A 115 0.226 9.934 -1.136 1.00 63.51 O ATOM 0 H TYR A 115 -3.652 5.953 -3.758 1.00 63.23 H new ATOM 0 HA TYR A 115 -1.674 5.845 -5.825 1.00 71.40 H new ATOM 0 HB2 TYR A 115 -1.765 4.506 -3.079 1.00 11.11 H new ATOM 0 HB3 TYR A 115 -0.348 4.578 -4.108 1.00 11.11 H new ATOM 0 HD1 TYR A 115 -2.763 7.316 -3.215 1.00 44.44 H new ATOM 0 HD2 TYR A 115 1.227 5.875 -2.859 1.00 21.44 H new ATOM 0 HE1 TYR A 115 -2.134 9.356 -2.048 1.00 30.25 H new ATOM 0 HE2 TYR A 115 1.860 7.955 -1.721 1.00 72.41 H new ATOM 0 HH TYR A 115 1.082 10.273 -1.472 1.00 63.51 H new ATOM 1815 N ILE A 116 -3.389 3.087 -5.010 1.00 30.10 N ATOM 1816 CA ILE A 116 -3.763 1.697 -5.384 1.00 65.35 C ATOM 1817 C ILE A 116 -4.338 1.637 -6.827 1.00 75.14 C ATOM 1818 O ILE A 116 -4.067 0.695 -7.585 1.00 55.32 O ATOM 1819 CB ILE A 116 -4.797 1.087 -4.351 1.00 12.23 C ATOM 1820 CG1 ILE A 116 -4.234 1.151 -2.890 1.00 52.32 C ATOM 1821 CG2 ILE A 116 -5.205 -0.365 -4.719 1.00 43.22 C ATOM 1822 CD1 ILE A 116 -2.951 0.363 -2.644 1.00 70.52 C ATOM 0 H ILE A 116 -3.945 3.462 -4.242 1.00 30.10 H new ATOM 0 HA ILE A 116 -2.855 1.095 -5.355 1.00 65.35 H new ATOM 0 HB ILE A 116 -5.697 1.699 -4.403 1.00 12.23 H new ATOM 0 HG12 ILE A 116 -4.053 2.195 -2.635 1.00 52.32 H new ATOM 0 HG13 ILE A 116 -5.001 0.785 -2.208 1.00 52.32 H new ATOM 0 HG21 ILE A 116 -5.915 -0.741 -3.982 1.00 43.22 H new ATOM 0 HG22 ILE A 116 -5.667 -0.374 -5.706 1.00 43.22 H new ATOM 0 HG23 ILE A 116 -4.320 -1.001 -4.727 1.00 43.22 H new ATOM 0 HD11 ILE A 116 -2.649 0.475 -1.603 1.00 70.52 H new ATOM 0 HD12 ILE A 116 -3.124 -0.691 -2.860 1.00 70.52 H new ATOM 0 HD13 ILE A 116 -2.162 0.741 -3.294 1.00 70.52 H new ATOM 1834 N ASP A 117 -5.095 2.686 -7.196 1.00 54.14 N ATOM 1835 CA ASP A 117 -5.751 2.803 -8.514 1.00 4.11 C ATOM 1836 C ASP A 117 -4.801 3.405 -9.589 1.00 20.40 C ATOM 1837 O ASP A 117 -5.170 3.487 -10.769 1.00 4.12 O ATOM 1838 CB ASP A 117 -7.037 3.667 -8.356 1.00 34.01 C ATOM 1839 CG ASP A 117 -7.926 3.702 -9.611 1.00 12.21 C ATOM 1840 OD1 ASP A 117 -8.379 2.624 -10.054 1.00 24.32 O ATOM 1841 OD2 ASP A 117 -8.178 4.798 -10.164 1.00 43.32 O ATOM 0 H ASP A 117 -5.271 3.483 -6.584 1.00 54.14 H new ATOM 0 HA ASP A 117 -6.016 1.805 -8.864 1.00 4.11 H new ATOM 0 HB2 ASP A 117 -7.621 3.281 -7.520 1.00 34.01 H new ATOM 0 HB3 ASP A 117 -6.748 4.686 -8.099 1.00 34.01 H new ATOM 1846 N SER A 118 -3.562 3.792 -9.204 1.00 50.33 N ATOM 1847 CA SER A 118 -2.607 4.418 -10.150 1.00 52.32 C ATOM 1848 C SER A 118 -2.159 3.415 -11.232 1.00 40.30 C ATOM 1849 O SER A 118 -1.812 2.271 -10.915 1.00 54.23 O ATOM 1850 CB SER A 118 -1.364 4.968 -9.408 1.00 13.05 C ATOM 1851 OG SER A 118 -1.694 6.042 -8.546 1.00 61.05 O ATOM 0 H SER A 118 -3.203 3.684 -8.256 1.00 50.33 H new ATOM 0 HA SER A 118 -3.126 5.247 -10.630 1.00 52.32 H new ATOM 0 HB2 SER A 118 -0.903 4.167 -8.830 1.00 13.05 H new ATOM 0 HB3 SER A 118 -0.625 5.301 -10.136 1.00 13.05 H new ATOM 0 HG SER A 118 -2.546 5.854 -8.100 1.00 61.05 H new ATOM 1857 N ALA A 119 -2.189 3.851 -12.502 1.00 53.13 N ATOM 1858 CA ALA A 119 -1.762 3.020 -13.652 1.00 1.24 C ATOM 1859 C ALA A 119 -0.252 2.672 -13.581 1.00 33.13 C ATOM 1860 O ALA A 119 0.151 1.588 -13.997 1.00 23.43 O ATOM 1861 CB ALA A 119 -2.109 3.719 -14.975 1.00 71.42 C ATOM 0 H ALA A 119 -2.507 4.784 -12.765 1.00 53.13 H new ATOM 0 HA ALA A 119 -2.309 2.078 -13.605 1.00 1.24 H new ATOM 0 HB1 ALA A 119 -1.789 3.096 -15.810 1.00 71.42 H new ATOM 0 HB2 ALA A 119 -3.186 3.877 -15.032 1.00 71.42 H new ATOM 0 HB3 ALA A 119 -1.598 4.681 -15.023 1.00 71.42 H new ATOM 1867 N GLU A 120 0.568 3.603 -13.038 1.00 1.44 N ATOM 1868 CA GLU A 120 2.013 3.360 -12.774 1.00 55.41 C ATOM 1869 C GLU A 120 2.212 2.203 -11.761 1.00 31.43 C ATOM 1870 O GLU A 120 3.122 1.386 -11.904 1.00 44.22 O ATOM 1871 CB GLU A 120 2.707 4.659 -12.253 1.00 11.13 C ATOM 1872 CG GLU A 120 2.103 5.235 -10.947 1.00 12.42 C ATOM 1873 CD GLU A 120 2.878 6.439 -10.381 1.00 3.42 C ATOM 1874 OE1 GLU A 120 2.596 7.583 -10.785 1.00 23.10 O ATOM 1875 OE2 GLU A 120 3.765 6.245 -9.518 1.00 61.23 O ATOM 0 H GLU A 120 0.254 4.536 -12.772 1.00 1.44 H new ATOM 0 HA GLU A 120 2.477 3.070 -13.717 1.00 55.41 H new ATOM 0 HB2 GLU A 120 3.764 4.449 -12.087 1.00 11.13 H new ATOM 0 HB3 GLU A 120 2.652 5.421 -13.030 1.00 11.13 H new ATOM 0 HG2 GLU A 120 1.072 5.535 -11.136 1.00 12.42 H new ATOM 0 HG3 GLU A 120 2.073 4.448 -10.194 1.00 12.42 H new ATOM 1882 N TYR A 121 1.331 2.142 -10.748 1.00 65.33 N ATOM 1883 CA TYR A 121 1.370 1.109 -9.702 1.00 75.55 C ATOM 1884 C TYR A 121 0.904 -0.269 -10.241 1.00 22.15 C ATOM 1885 O TYR A 121 1.575 -1.288 -10.045 1.00 3.52 O ATOM 1886 CB TYR A 121 0.503 1.558 -8.506 1.00 14.35 C ATOM 1887 CG TYR A 121 0.575 0.653 -7.274 1.00 61.24 C ATOM 1888 CD1 TYR A 121 1.728 -0.078 -6.966 1.00 55.31 C ATOM 1889 CD2 TYR A 121 -0.500 0.551 -6.400 1.00 13.13 C ATOM 1890 CE1 TYR A 121 1.791 -0.865 -5.846 1.00 41.03 C ATOM 1891 CE2 TYR A 121 -0.436 -0.235 -5.282 1.00 43.53 C ATOM 1892 CZ TYR A 121 0.706 -0.935 -5.010 1.00 33.42 C ATOM 1893 OH TYR A 121 0.754 -1.730 -3.914 1.00 72.41 O ATOM 0 H TYR A 121 0.570 2.811 -10.632 1.00 65.33 H new ATOM 0 HA TYR A 121 2.402 0.987 -9.372 1.00 75.55 H new ATOM 0 HB2 TYR A 121 0.805 2.564 -8.216 1.00 14.35 H new ATOM 0 HB3 TYR A 121 -0.535 1.619 -8.833 1.00 14.35 H new ATOM 0 HD1 TYR A 121 2.583 -0.021 -7.623 1.00 55.31 H new ATOM 0 HD2 TYR A 121 -1.405 1.103 -6.607 1.00 13.13 H new ATOM 0 HE1 TYR A 121 2.687 -1.425 -5.624 1.00 41.03 H new ATOM 0 HE2 TYR A 121 -1.284 -0.302 -4.617 1.00 43.53 H new ATOM 0 HH TYR A 121 -0.045 -2.296 -3.886 1.00 72.41 H new ATOM 1903 N THR A 122 -0.242 -0.269 -10.924 1.00 2.32 N ATOM 1904 CA THR A 122 -0.871 -1.485 -11.486 1.00 1.43 C ATOM 1905 C THR A 122 0.015 -2.132 -12.584 1.00 3.11 C ATOM 1906 O THR A 122 0.077 -3.355 -12.700 1.00 21.23 O ATOM 1907 CB THR A 122 -2.292 -1.138 -12.059 1.00 64.31 C ATOM 1908 OG1 THR A 122 -3.099 -0.547 -11.018 1.00 5.52 O ATOM 1909 CG2 THR A 122 -3.032 -2.366 -12.631 1.00 13.35 C ATOM 0 H THR A 122 -0.773 0.582 -11.110 1.00 2.32 H new ATOM 0 HA THR A 122 -0.977 -2.212 -10.681 1.00 1.43 H new ATOM 0 HB THR A 122 -2.138 -0.440 -12.882 1.00 64.31 H new ATOM 0 HG1 THR A 122 -2.796 0.370 -10.849 1.00 5.52 H new ATOM 0 HG21 THR A 122 -4.007 -2.059 -13.011 1.00 13.35 H new ATOM 0 HG22 THR A 122 -2.446 -2.798 -13.442 1.00 13.35 H new ATOM 0 HG23 THR A 122 -3.166 -3.109 -11.845 1.00 13.35 H new ATOM 1917 N GLU A 123 0.689 -1.296 -13.385 1.00 72.43 N ATOM 1918 CA GLU A 123 1.593 -1.760 -14.461 1.00 14.42 C ATOM 1919 C GLU A 123 3.047 -2.001 -13.983 1.00 20.20 C ATOM 1920 O GLU A 123 3.487 -3.154 -13.931 1.00 54.14 O ATOM 1921 CB GLU A 123 1.550 -0.767 -15.645 1.00 55.13 C ATOM 1922 CG GLU A 123 0.197 -0.744 -16.382 1.00 20.13 C ATOM 1923 CD GLU A 123 0.162 0.211 -17.580 1.00 60.21 C ATOM 1924 OE1 GLU A 123 1.088 0.160 -18.422 1.00 31.12 O ATOM 1925 OE2 GLU A 123 -0.792 1.009 -17.690 1.00 5.02 O ATOM 0 H GLU A 123 0.627 -0.281 -13.311 1.00 72.43 H new ATOM 0 HA GLU A 123 1.228 -2.733 -14.789 1.00 14.42 H new ATOM 0 HB2 GLU A 123 1.770 0.235 -15.276 1.00 55.13 H new ATOM 0 HB3 GLU A 123 2.336 -1.026 -16.354 1.00 55.13 H new ATOM 0 HG2 GLU A 123 -0.036 -1.752 -16.726 1.00 20.13 H new ATOM 0 HG3 GLU A 123 -0.585 -0.458 -15.678 1.00 20.13 H new ATOM 1932 N SER A 124 3.786 -0.925 -13.617 1.00 42.15 N ATOM 1933 CA SER A 124 5.252 -1.027 -13.319 1.00 75.24 C ATOM 1934 C SER A 124 5.548 -1.919 -12.092 1.00 74.22 C ATOM 1935 O SER A 124 6.531 -2.664 -12.084 1.00 71.11 O ATOM 1936 CB SER A 124 5.864 0.381 -13.099 1.00 71.24 C ATOM 1937 OG SER A 124 7.256 0.317 -12.805 1.00 0.01 O ATOM 0 H SER A 124 3.405 0.016 -13.519 1.00 42.15 H new ATOM 0 HA SER A 124 5.713 -1.497 -14.188 1.00 75.24 H new ATOM 0 HB2 SER A 124 5.709 0.987 -13.992 1.00 71.24 H new ATOM 0 HB3 SER A 124 5.343 0.879 -12.281 1.00 71.24 H new ATOM 0 HG SER A 124 7.605 1.223 -12.675 1.00 0.01 H new ATOM 1943 N PHE A 125 4.667 -1.864 -11.079 1.00 75.33 N ATOM 1944 CA PHE A 125 4.775 -2.712 -9.863 1.00 13.24 C ATOM 1945 C PHE A 125 3.810 -3.908 -9.912 1.00 2.53 C ATOM 1946 O PHE A 125 3.696 -4.625 -8.922 1.00 70.01 O ATOM 1947 CB PHE A 125 4.506 -1.865 -8.596 1.00 51.24 C ATOM 1948 CG PHE A 125 5.373 -0.615 -8.529 1.00 64.31 C ATOM 1949 CD1 PHE A 125 6.678 -0.670 -8.056 1.00 61.24 C ATOM 1950 CD2 PHE A 125 4.892 0.613 -8.983 1.00 64.41 C ATOM 1951 CE1 PHE A 125 7.465 0.462 -8.037 1.00 60.21 C ATOM 1952 CE2 PHE A 125 5.679 1.738 -8.955 1.00 15.12 C ATOM 1953 CZ PHE A 125 6.965 1.659 -8.484 1.00 72.12 C ATOM 0 H PHE A 125 3.862 -1.237 -11.072 1.00 75.33 H new ATOM 0 HA PHE A 125 5.790 -3.107 -9.827 1.00 13.24 H new ATOM 0 HB2 PHE A 125 3.456 -1.575 -8.574 1.00 51.24 H new ATOM 0 HB3 PHE A 125 4.687 -2.475 -7.711 1.00 51.24 H new ATOM 0 HD1 PHE A 125 7.080 -1.607 -7.700 1.00 61.24 H new ATOM 0 HD2 PHE A 125 3.883 0.680 -9.363 1.00 64.41 H new ATOM 0 HE1 PHE A 125 8.479 0.406 -7.669 1.00 60.21 H new ATOM 0 HE2 PHE A 125 5.287 2.682 -9.303 1.00 15.12 H new ATOM 0 HZ PHE A 125 7.586 2.542 -8.465 1.00 72.12 H new ATOM 1963 N GLY A 126 3.105 -4.074 -11.061 1.00 31.23 N ATOM 1964 CA GLY A 126 2.241 -5.237 -11.344 1.00 14.43 C ATOM 1965 C GLY A 126 1.063 -5.448 -10.372 1.00 20.32 C ATOM 1966 O GLY A 126 1.259 -5.560 -9.169 1.00 35.31 O ATOM 0 H GLY A 126 3.125 -3.394 -11.821 1.00 31.23 H new ATOM 0 HA2 GLY A 126 1.841 -5.132 -12.353 1.00 14.43 H new ATOM 0 HA3 GLY A 126 2.859 -6.135 -11.337 1.00 14.43 H new ATOM 1970 N ASP A 127 -0.159 -5.592 -10.904 1.00 1.15 N ATOM 1971 CA ASP A 127 -1.387 -5.802 -10.086 1.00 33.44 C ATOM 1972 C ASP A 127 -1.344 -7.140 -9.288 1.00 74.21 C ATOM 1973 O ASP A 127 -1.976 -7.267 -8.234 1.00 32.35 O ATOM 1974 CB ASP A 127 -2.634 -5.750 -11.005 1.00 13.54 C ATOM 1975 CG ASP A 127 -2.572 -6.761 -12.167 1.00 63.42 C ATOM 1976 OD1 ASP A 127 -1.774 -6.547 -13.107 1.00 23.01 O ATOM 1977 OD2 ASP A 127 -3.322 -7.759 -12.156 1.00 70.14 O ATOM 0 H ASP A 127 -0.336 -5.568 -11.908 1.00 1.15 H new ATOM 0 HA ASP A 127 -1.442 -5.001 -9.349 1.00 33.44 H new ATOM 0 HB2 ASP A 127 -3.525 -5.945 -10.409 1.00 13.54 H new ATOM 0 HB3 ASP A 127 -2.736 -4.744 -11.412 1.00 13.54 H new ATOM 1982 N ASN A 128 -0.587 -8.121 -9.819 1.00 32.55 N ATOM 1983 CA ASN A 128 -0.330 -9.422 -9.150 1.00 4.55 C ATOM 1984 C ASN A 128 1.061 -9.439 -8.449 1.00 71.00 C ATOM 1985 O ASN A 128 1.386 -10.381 -7.727 1.00 62.12 O ATOM 1986 CB ASN A 128 -0.426 -10.570 -10.189 1.00 20.41 C ATOM 1987 CG ASN A 128 -1.727 -10.572 -11.002 1.00 12.42 C ATOM 1988 OD1 ASN A 128 -1.730 -10.918 -12.179 1.00 35.01 O ATOM 1989 ND2 ASN A 128 -2.845 -10.204 -10.396 1.00 64.52 N ATOM 0 H ASN A 128 -0.132 -8.037 -10.728 1.00 32.55 H new ATOM 0 HA ASN A 128 -1.087 -9.566 -8.379 1.00 4.55 H new ATOM 0 HB2 ASN A 128 0.418 -10.497 -10.875 1.00 20.41 H new ATOM 0 HB3 ASN A 128 -0.333 -11.524 -9.670 1.00 20.41 H new ATOM 0 HD21 ASN A 128 -3.727 -10.205 -10.908 1.00 64.52 H new ATOM 0 HD22 ASN A 128 -2.824 -9.919 -9.417 1.00 64.52 H new ATOM 1996 N VAL A 129 1.855 -8.374 -8.651 1.00 64.34 N ATOM 1997 CA VAL A 129 3.248 -8.262 -8.156 1.00 32.21 C ATOM 1998 C VAL A 129 3.303 -7.374 -6.882 1.00 44.13 C ATOM 1999 O VAL A 129 2.551 -6.403 -6.743 1.00 75.41 O ATOM 2000 CB VAL A 129 4.227 -7.697 -9.260 1.00 75.15 C ATOM 2001 CG1 VAL A 129 5.706 -7.666 -8.784 1.00 32.32 C ATOM 2002 CG2 VAL A 129 4.091 -8.479 -10.584 1.00 63.23 C ATOM 0 H VAL A 129 1.548 -7.551 -9.170 1.00 64.34 H new ATOM 0 HA VAL A 129 3.584 -9.268 -7.905 1.00 32.21 H new ATOM 0 HB VAL A 129 3.928 -6.664 -9.440 1.00 75.15 H new ATOM 0 HG11 VAL A 129 6.336 -7.270 -9.580 1.00 32.32 H new ATOM 0 HG12 VAL A 129 5.791 -7.030 -7.903 1.00 32.32 H new ATOM 0 HG13 VAL A 129 6.029 -8.677 -8.535 1.00 32.32 H new ATOM 0 HG21 VAL A 129 4.778 -8.066 -11.323 1.00 63.23 H new ATOM 0 HG22 VAL A 129 4.331 -9.528 -10.413 1.00 63.23 H new ATOM 0 HG23 VAL A 129 3.069 -8.396 -10.952 1.00 63.23 H new ATOM 2012 N VAL A 130 4.198 -7.745 -5.960 1.00 43.44 N ATOM 2013 CA VAL A 130 4.456 -7.020 -4.706 1.00 41.23 C ATOM 2014 C VAL A 130 5.278 -5.737 -5.011 1.00 2.34 C ATOM 2015 O VAL A 130 6.221 -5.795 -5.817 1.00 34.34 O ATOM 2016 CB VAL A 130 5.266 -7.942 -3.702 1.00 35.20 C ATOM 2017 CG1 VAL A 130 5.701 -7.181 -2.420 1.00 13.13 C ATOM 2018 CG2 VAL A 130 4.463 -9.216 -3.348 1.00 11.35 C ATOM 0 H VAL A 130 4.778 -8.577 -6.065 1.00 43.44 H new ATOM 0 HA VAL A 130 3.505 -6.746 -4.249 1.00 41.23 H new ATOM 0 HB VAL A 130 6.179 -8.244 -4.215 1.00 35.20 H new ATOM 0 HG11 VAL A 130 6.252 -7.856 -1.765 1.00 13.13 H new ATOM 0 HG12 VAL A 130 6.339 -6.341 -2.694 1.00 13.13 H new ATOM 0 HG13 VAL A 130 4.818 -6.811 -1.899 1.00 13.13 H new ATOM 0 HG21 VAL A 130 5.041 -9.831 -2.658 1.00 11.35 H new ATOM 0 HG22 VAL A 130 3.520 -8.933 -2.879 1.00 11.35 H new ATOM 0 HG23 VAL A 130 4.261 -9.783 -4.257 1.00 11.35 H new ATOM 2028 N PRO A 131 4.910 -4.553 -4.392 1.00 74.43 N ATOM 2029 CA PRO A 131 5.645 -3.272 -4.588 1.00 42.04 C ATOM 2030 C PRO A 131 7.180 -3.379 -4.352 1.00 0.12 C ATOM 2031 O PRO A 131 7.627 -3.988 -3.371 1.00 30.32 O ATOM 2032 CB PRO A 131 5.006 -2.324 -3.535 1.00 15.44 C ATOM 2033 CG PRO A 131 3.639 -2.878 -3.290 1.00 2.24 C ATOM 2034 CD PRO A 131 3.749 -4.376 -3.465 1.00 41.41 C ATOM 0 HA PRO A 131 5.557 -2.930 -5.619 1.00 42.04 H new ATOM 0 HB2 PRO A 131 5.593 -2.302 -2.617 1.00 15.44 H new ATOM 0 HB3 PRO A 131 4.956 -1.300 -3.905 1.00 15.44 H new ATOM 0 HG2 PRO A 131 3.293 -2.628 -2.287 1.00 2.24 H new ATOM 0 HG3 PRO A 131 2.918 -2.457 -3.990 1.00 2.24 H new ATOM 0 HD2 PRO A 131 3.920 -4.877 -2.512 1.00 41.41 H new ATOM 0 HD3 PRO A 131 2.836 -4.796 -3.886 1.00 41.41 H new ATOM 2042 N TYR A 132 7.967 -2.805 -5.280 1.00 52.14 N ATOM 2043 CA TYR A 132 9.432 -2.626 -5.123 1.00 21.22 C ATOM 2044 C TYR A 132 9.779 -1.116 -5.200 1.00 74.44 C ATOM 2045 O TYR A 132 8.921 -0.295 -5.532 1.00 34.42 O ATOM 2046 CB TYR A 132 10.206 -3.451 -6.197 1.00 64.22 C ATOM 2047 CG TYR A 132 9.960 -3.034 -7.665 1.00 53.22 C ATOM 2048 CD1 TYR A 132 10.740 -2.043 -8.271 1.00 72.33 C ATOM 2049 CD2 TYR A 132 8.957 -3.630 -8.442 1.00 34.13 C ATOM 2050 CE1 TYR A 132 10.535 -1.660 -9.578 1.00 72.10 C ATOM 2051 CE2 TYR A 132 8.751 -3.246 -9.760 1.00 22.12 C ATOM 2052 CZ TYR A 132 9.544 -2.259 -10.321 1.00 2.20 C ATOM 2053 OH TYR A 132 9.348 -1.866 -11.631 1.00 70.31 O ATOM 0 H TYR A 132 7.608 -2.449 -6.166 1.00 52.14 H new ATOM 0 HA TYR A 132 9.741 -3.001 -4.147 1.00 21.22 H new ATOM 0 HB2 TYR A 132 11.273 -3.373 -5.990 1.00 64.22 H new ATOM 0 HB3 TYR A 132 9.936 -4.501 -6.086 1.00 64.22 H new ATOM 0 HD1 TYR A 132 11.523 -1.566 -7.699 1.00 72.33 H new ATOM 0 HD2 TYR A 132 8.335 -4.399 -8.009 1.00 34.13 H new ATOM 0 HE1 TYR A 132 11.151 -0.891 -10.019 1.00 72.10 H new ATOM 0 HE2 TYR A 132 7.975 -3.715 -10.346 1.00 22.12 H new ATOM 0 HH TYR A 132 8.437 -2.097 -11.909 1.00 70.31 H new ATOM 2063 N PHE A 133 11.016 -0.746 -4.850 1.00 33.52 N ATOM 2064 CA PHE A 133 11.501 0.646 -5.015 1.00 25.04 C ATOM 2065 C PHE A 133 12.090 0.839 -6.437 1.00 35.00 C ATOM 2066 O PHE A 133 12.880 0.001 -6.892 1.00 52.44 O ATOM 2067 CB PHE A 133 12.573 0.966 -3.936 1.00 24.12 C ATOM 2068 CG PHE A 133 13.059 2.422 -3.942 1.00 63.13 C ATOM 2069 CD1 PHE A 133 12.229 3.444 -3.466 1.00 74.05 C ATOM 2070 CD2 PHE A 133 14.332 2.773 -4.419 1.00 41.41 C ATOM 2071 CE1 PHE A 133 12.651 4.763 -3.468 1.00 5.00 C ATOM 2072 CE2 PHE A 133 14.746 4.095 -4.416 1.00 32.44 C ATOM 2073 CZ PHE A 133 13.908 5.087 -3.943 1.00 64.02 C ATOM 0 H PHE A 133 11.705 -1.383 -4.451 1.00 33.52 H new ATOM 0 HA PHE A 133 10.663 1.332 -4.889 1.00 25.04 H new ATOM 0 HB2 PHE A 133 12.162 0.736 -2.953 1.00 24.12 H new ATOM 0 HB3 PHE A 133 13.430 0.309 -4.085 1.00 24.12 H new ATOM 0 HD1 PHE A 133 11.246 3.200 -3.092 1.00 74.05 H new ATOM 0 HD2 PHE A 133 14.994 2.006 -4.792 1.00 41.41 H new ATOM 0 HE1 PHE A 133 11.997 5.539 -3.098 1.00 5.00 H new ATOM 0 HE2 PHE A 133 15.728 4.352 -4.785 1.00 32.44 H new ATOM 0 HZ PHE A 133 14.236 6.116 -3.945 1.00 64.02 H new ATOM 2083 N ARG A 134 11.718 1.939 -7.130 1.00 44.53 N ATOM 2084 CA ARG A 134 12.340 2.290 -8.431 1.00 62.02 C ATOM 2085 C ARG A 134 13.724 2.947 -8.196 1.00 75.31 C ATOM 2086 O ARG A 134 14.716 2.230 -8.024 1.00 54.12 O ATOM 2087 CB ARG A 134 11.406 3.190 -9.299 1.00 35.33 C ATOM 2088 CG ARG A 134 10.181 2.463 -9.889 1.00 4.13 C ATOM 2089 CD ARG A 134 9.251 3.400 -10.690 1.00 25.12 C ATOM 2090 NE ARG A 134 9.902 4.015 -11.863 1.00 43.22 N ATOM 2091 CZ ARG A 134 9.297 4.798 -12.738 1.00 42.30 C ATOM 2092 NH1 ARG A 134 8.039 5.111 -12.609 1.00 60.32 N ATOM 2093 NH2 ARG A 134 9.958 5.265 -13.742 1.00 24.15 N ATOM 0 H ARG A 134 11.000 2.592 -6.817 1.00 44.53 H new ATOM 0 HA ARG A 134 12.490 1.372 -8.998 1.00 62.02 H new ATOM 0 HB2 ARG A 134 11.058 4.024 -8.690 1.00 35.33 H new ATOM 0 HB3 ARG A 134 11.989 3.614 -10.117 1.00 35.33 H new ATOM 0 HG2 ARG A 134 10.522 1.657 -10.538 1.00 4.13 H new ATOM 0 HG3 ARG A 134 9.614 2.003 -9.080 1.00 4.13 H new ATOM 0 HD2 ARG A 134 8.379 2.836 -11.022 1.00 25.12 H new ATOM 0 HD3 ARG A 134 8.888 4.189 -10.031 1.00 25.12 H new ATOM 0 HE ARG A 134 10.893 3.821 -12.009 1.00 43.22 H new ATOM 0 HH11 ARG A 134 7.502 4.750 -11.821 1.00 60.32 H new ATOM 0 HH12 ARG A 134 7.591 5.717 -13.296 1.00 60.32 H new ATOM 0 HH21 ARG A 134 10.944 5.029 -13.858 1.00 24.15 H new ATOM 0 HH22 ARG A 134 9.495 5.870 -14.420 1.00 24.15 H new ATOM 2107 N GLY A 135 13.770 4.296 -8.117 1.00 72.22 N ATOM 2108 CA GLY A 135 15.033 5.042 -7.948 1.00 60.15 C ATOM 2109 C GLY A 135 15.923 5.055 -9.199 1.00 12.31 C ATOM 2110 O GLY A 135 16.198 6.113 -9.778 1.00 72.32 O ATOM 0 H GLY A 135 12.942 4.890 -8.168 1.00 72.22 H new ATOM 0 HA2 GLY A 135 14.801 6.070 -7.669 1.00 60.15 H new ATOM 0 HA3 GLY A 135 15.593 4.606 -7.121 1.00 60.15 H new ATOM 2114 N LEU A 136 16.370 3.860 -9.600 1.00 4.34 N ATOM 2115 CA LEU A 136 17.254 3.640 -10.749 1.00 71.34 C ATOM 2116 C LEU A 136 16.434 3.635 -12.070 1.00 32.01 C ATOM 2117 O LEU A 136 16.186 2.576 -12.659 1.00 11.42 O ATOM 2118 CB LEU A 136 18.054 2.303 -10.574 1.00 62.10 C ATOM 2119 CG LEU A 136 18.902 2.122 -9.256 1.00 54.21 C ATOM 2120 CD1 LEU A 136 19.814 3.339 -8.989 1.00 34.44 C ATOM 2121 CD2 LEU A 136 18.025 1.776 -8.027 1.00 42.34 C ATOM 0 H LEU A 136 16.120 2.995 -9.121 1.00 4.34 H new ATOM 0 HA LEU A 136 17.972 4.458 -10.802 1.00 71.34 H new ATOM 0 HB2 LEU A 136 17.344 1.478 -10.632 1.00 62.10 H new ATOM 0 HB3 LEU A 136 18.729 2.203 -11.424 1.00 62.10 H new ATOM 0 HG LEU A 136 19.551 1.262 -9.422 1.00 54.21 H new ATOM 0 HD11 LEU A 136 20.381 3.175 -8.073 1.00 34.44 H new ATOM 0 HD12 LEU A 136 20.503 3.467 -9.824 1.00 34.44 H new ATOM 0 HD13 LEU A 136 19.203 4.235 -8.882 1.00 34.44 H new ATOM 0 HD21 LEU A 136 18.659 1.663 -7.148 1.00 42.34 H new ATOM 0 HD22 LEU A 136 17.307 2.578 -7.855 1.00 42.34 H new ATOM 0 HD23 LEU A 136 17.491 0.844 -8.212 1.00 42.34 H new ATOM 2133 N GLU A 137 15.968 4.840 -12.458 1.00 32.43 N ATOM 2134 CA GLU A 137 15.280 5.124 -13.741 1.00 61.11 C ATOM 2135 C GLU A 137 13.946 4.329 -13.934 1.00 62.14 C ATOM 2136 O GLU A 137 12.877 4.821 -13.542 1.00 33.14 O ATOM 2137 CB GLU A 137 16.268 4.911 -14.923 1.00 25.11 C ATOM 2138 CG GLU A 137 15.727 5.257 -16.324 1.00 2.15 C ATOM 2139 CD GLU A 137 16.801 5.092 -17.411 1.00 70.21 C ATOM 2140 OE1 GLU A 137 17.132 3.937 -17.754 1.00 41.42 O ATOM 2141 OE2 GLU A 137 17.322 6.107 -17.925 1.00 33.24 O ATOM 0 H GLU A 137 16.061 5.669 -11.872 1.00 32.43 H new ATOM 0 HA GLU A 137 14.972 6.169 -13.718 1.00 61.11 H new ATOM 0 HB2 GLU A 137 17.158 5.513 -14.740 1.00 25.11 H new ATOM 0 HB3 GLU A 137 16.583 3.868 -14.924 1.00 25.11 H new ATOM 0 HG2 GLU A 137 14.877 4.615 -16.553 1.00 2.15 H new ATOM 0 HG3 GLU A 137 15.361 6.284 -16.328 1.00 2.15 H new ATOM 2148 N HIS A 138 14.041 3.088 -14.487 1.00 50.24 N ATOM 2149 CA HIS A 138 12.879 2.273 -14.945 1.00 41.41 C ATOM 2150 C HIS A 138 12.061 2.978 -16.071 1.00 11.41 C ATOM 2151 O HIS A 138 11.218 3.842 -15.805 1.00 24.24 O ATOM 2152 CB HIS A 138 11.962 1.825 -13.762 1.00 0.11 C ATOM 2153 CG HIS A 138 12.545 0.717 -12.928 1.00 61.22 C ATOM 2154 ND1 HIS A 138 12.104 -0.590 -13.004 1.00 45.40 N ATOM 2155 CD2 HIS A 138 13.542 0.712 -12.010 1.00 32.03 C ATOM 2156 CE1 HIS A 138 12.799 -1.339 -12.181 1.00 13.45 C ATOM 2157 NE2 HIS A 138 13.676 -0.578 -11.566 1.00 5.13 N ATOM 0 H HIS A 138 14.936 2.620 -14.629 1.00 50.24 H new ATOM 0 HA HIS A 138 13.302 1.368 -15.381 1.00 41.41 H new ATOM 0 HB2 HIS A 138 11.765 2.685 -13.121 1.00 0.11 H new ATOM 0 HB3 HIS A 138 11.002 1.499 -14.162 1.00 0.11 H new ATOM 0 HD2 HIS A 138 14.122 1.564 -11.689 1.00 32.03 H new ATOM 0 HE1 HIS A 138 12.672 -2.401 -12.034 1.00 13.45 H new ATOM 0 HE2 HIS A 138 14.349 -0.896 -10.869 1.00 5.13 H new ATOM 2166 N HIS A 139 12.352 2.597 -17.334 1.00 42.11 N ATOM 2167 CA HIS A 139 11.580 3.005 -18.535 1.00 4.12 C ATOM 2168 C HIS A 139 10.223 2.233 -18.630 1.00 62.43 C ATOM 2169 O HIS A 139 9.735 1.677 -17.635 1.00 72.03 O ATOM 2170 CB HIS A 139 12.426 2.720 -19.813 1.00 4.13 C ATOM 2171 CG HIS A 139 13.645 3.583 -20.003 1.00 12.13 C ATOM 2172 ND1 HIS A 139 13.575 4.942 -20.193 1.00 54.25 N ATOM 2173 CD2 HIS A 139 14.962 3.270 -20.087 1.00 51.11 C ATOM 2174 CE1 HIS A 139 14.782 5.425 -20.392 1.00 1.23 C ATOM 2175 NE2 HIS A 139 15.645 4.435 -20.330 1.00 60.43 N ATOM 0 H HIS A 139 13.141 1.989 -17.554 1.00 42.11 H new ATOM 0 HA HIS A 139 11.362 4.070 -18.455 1.00 4.12 H new ATOM 0 HB2 HIS A 139 12.743 1.677 -19.790 1.00 4.13 H new ATOM 0 HB3 HIS A 139 11.782 2.838 -20.685 1.00 4.13 H new ATOM 0 HD2 HIS A 139 15.393 2.286 -19.982 1.00 51.11 H new ATOM 0 HE1 HIS A 139 15.024 6.461 -20.576 1.00 1.23 H new ATOM 0 HE2 HIS A 139 16.655 4.519 -20.444 1.00 60.43 H new ATOM 2184 N HIS A 140 9.624 2.230 -19.854 1.00 52.11 N ATOM 2185 CA HIS A 140 8.427 1.415 -20.218 1.00 62.22 C ATOM 2186 C HIS A 140 7.117 1.919 -19.547 1.00 61.13 C ATOM 2187 O HIS A 140 7.152 2.774 -18.652 1.00 60.23 O ATOM 2188 CB HIS A 140 8.657 -0.101 -19.926 1.00 54.25 C ATOM 2189 CG HIS A 140 9.869 -0.689 -20.611 1.00 64.12 C ATOM 2190 ND1 HIS A 140 9.890 -1.016 -21.949 1.00 50.20 N ATOM 2191 CD2 HIS A 140 11.108 -0.993 -20.142 1.00 0.14 C ATOM 2192 CE1 HIS A 140 11.076 -1.489 -22.272 1.00 54.12 C ATOM 2193 NE2 HIS A 140 11.835 -1.485 -21.198 1.00 75.43 N ATOM 0 H HIS A 140 9.964 2.802 -20.627 1.00 52.11 H new ATOM 0 HA HIS A 140 8.294 1.541 -21.292 1.00 62.22 H new ATOM 0 HB2 HIS A 140 8.759 -0.240 -18.850 1.00 54.25 H new ATOM 0 HB3 HIS A 140 7.773 -0.657 -20.237 1.00 54.25 H new ATOM 0 HD2 HIS A 140 11.456 -0.870 -19.127 1.00 0.14 H new ATOM 0 HE1 HIS A 140 11.375 -1.824 -23.254 1.00 54.12 H new ATOM 0 HE2 HIS A 140 12.805 -1.797 -21.156 1.00 75.43 H new ATOM 2202 N HIS A 141 5.968 1.374 -20.017 1.00 13.45 N ATOM 2203 CA HIS A 141 4.597 1.700 -19.532 1.00 4.02 C ATOM 2204 C HIS A 141 4.188 3.168 -19.841 1.00 72.04 C ATOM 2205 O HIS A 141 3.386 3.415 -20.746 1.00 22.21 O ATOM 2206 CB HIS A 141 4.417 1.375 -18.018 1.00 65.24 C ATOM 2207 CG HIS A 141 4.687 -0.065 -17.672 1.00 74.13 C ATOM 2208 ND1 HIS A 141 3.850 -1.091 -18.042 1.00 30.54 N ATOM 2209 CD2 HIS A 141 5.702 -0.648 -16.986 1.00 52.02 C ATOM 2210 CE1 HIS A 141 4.333 -2.231 -17.607 1.00 20.23 C ATOM 2211 NE2 HIS A 141 5.452 -1.995 -16.963 1.00 25.43 N ATOM 0 H HIS A 141 5.965 0.678 -20.762 1.00 13.45 H new ATOM 0 HA HIS A 141 3.920 1.054 -20.091 1.00 4.02 H new ATOM 0 HB2 HIS A 141 5.085 2.011 -17.437 1.00 65.24 H new ATOM 0 HB3 HIS A 141 3.399 1.626 -17.720 1.00 65.24 H new ATOM 0 HD1 HIS A 141 2.986 -0.983 -18.573 1.00 30.54 H new ATOM 0 HD2 HIS A 141 6.548 -0.145 -16.542 1.00 52.02 H new ATOM 0 HE1 HIS A 141 3.884 -3.202 -17.754 1.00 20.23 H new ATOM 2220 N HIS A 142 4.748 4.127 -19.056 1.00 71.41 N ATOM 2221 CA HIS A 142 4.501 5.591 -19.195 1.00 62.35 C ATOM 2222 C HIS A 142 3.027 5.998 -18.917 1.00 32.43 C ATOM 2223 O HIS A 142 2.598 7.103 -19.271 1.00 40.12 O ATOM 2224 CB HIS A 142 4.962 6.106 -20.590 1.00 34.54 C ATOM 2225 CG HIS A 142 6.419 5.891 -20.880 1.00 62.41 C ATOM 2226 ND1 HIS A 142 6.911 5.739 -22.153 1.00 11.11 N ATOM 2227 CD2 HIS A 142 7.495 5.816 -20.058 1.00 25.52 C ATOM 2228 CE1 HIS A 142 8.212 5.582 -22.107 1.00 72.33 C ATOM 2229 NE2 HIS A 142 8.597 5.623 -20.850 1.00 31.32 N ATOM 0 H HIS A 142 5.393 3.903 -18.298 1.00 71.41 H new ATOM 0 HA HIS A 142 5.103 6.072 -18.424 1.00 62.35 H new ATOM 0 HB2 HIS A 142 4.373 5.608 -21.360 1.00 34.54 H new ATOM 0 HB3 HIS A 142 4.743 7.171 -20.661 1.00 34.54 H new ATOM 0 HD2 HIS A 142 7.485 5.894 -18.981 1.00 25.52 H new ATOM 0 HE1 HIS A 142 8.860 5.442 -22.960 1.00 72.33 H new ATOM 0 HE2 HIS A 142 9.557 5.527 -20.519 1.00 31.32 H new ATOM 2238 N HIS A 143 2.271 5.115 -18.246 1.00 1.53 N ATOM 2239 CA HIS A 143 0.845 5.339 -17.928 1.00 0.10 C ATOM 2240 C HIS A 143 0.669 5.634 -16.430 1.00 15.54 C ATOM 2241 O HIS A 143 1.327 5.026 -15.580 1.00 33.41 O ATOM 2242 CB HIS A 143 0.018 4.099 -18.349 1.00 23.04 C ATOM 2243 CG HIS A 143 0.137 3.745 -19.812 1.00 2.32 C ATOM 2244 ND1 HIS A 143 0.246 2.448 -20.277 1.00 20.33 N ATOM 2245 CD2 HIS A 143 0.163 4.531 -20.915 1.00 14.10 C ATOM 2246 CE1 HIS A 143 0.338 2.454 -21.591 1.00 63.24 C ATOM 2247 NE2 HIS A 143 0.289 3.703 -22.000 1.00 75.05 N ATOM 0 H HIS A 143 2.629 4.222 -17.906 1.00 1.53 H new ATOM 0 HA HIS A 143 0.485 6.205 -18.484 1.00 0.10 H new ATOM 0 HB2 HIS A 143 0.336 3.244 -17.753 1.00 23.04 H new ATOM 0 HB3 HIS A 143 -1.031 4.279 -18.114 1.00 23.04 H new ATOM 0 HD1 HIS A 143 0.254 1.613 -19.691 1.00 20.33 H new ATOM 0 HD2 HIS A 143 0.097 5.609 -20.936 1.00 14.10 H new ATOM 0 HE1 HIS A 143 0.437 1.584 -22.223 1.00 63.24 H new TER 2256 HIS A 143