USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Set 2.1: A 56 ASN : amide:sc= -1.61 X(o=-8.1,f=-7.8!) USER MOD Set 2.2: A 58 ASN : amide:sc= -6.52! C(o=-8.1!,f=-7.8!) USER MOD Set 3.1: A 46 THR OG1 : rot -115:sc= 0.888! USER MOD Set 3.2: A 54 CYS SG : rot -66:sc= 0.794 USER MOD Set 4.1: A 11 ASN : amide:sc= -3.06! C(o=-9.4!,f=-21!) USER MOD Set 4.2: A 17 CYS SG : rot -170:sc= -6.35! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0718 K(o=-0.072,f=-5.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 5:sc= 0.703 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 174:sc=-0.000792 (180deg=-0.0977) USER MOD Single : A 35 CYS SG : rot -1:sc= 0.165 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0064 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -125:sc= -0.499 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot -39:sc= 0.275 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00794 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.851 -1.885 -3.042 1.00 0.00 N ATOM 21 CA GLU A 2 11.465 -1.758 -3.576 1.00 0.00 C ATOM 22 C GLU A 2 10.665 -3.015 -3.228 1.00 0.00 C ATOM 23 O GLU A 2 11.164 -4.121 -3.301 1.00 0.00 O ATOM 24 CB GLU A 2 11.517 -1.591 -5.095 1.00 0.00 C ATOM 25 CG GLU A 2 12.233 -2.792 -5.718 1.00 0.00 C ATOM 26 CD GLU A 2 12.467 -2.532 -7.207 1.00 0.00 C ATOM 27 OE1 GLU A 2 11.585 -2.848 -7.990 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.524 -2.021 -7.540 1.00 0.00 O ATOM 0 HA GLU A 2 10.984 -0.887 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.507 -1.508 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.039 -0.670 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.184 -2.963 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.635 -3.694 -5.585 1.00 0.00 H new ATOM 35 N TRP A 3 9.424 -2.852 -2.851 1.00 0.00 N ATOM 36 CA TRP A 3 8.579 -4.033 -2.496 1.00 0.00 C ATOM 37 C TRP A 3 7.726 -4.425 -3.704 1.00 0.00 C ATOM 38 O TRP A 3 7.712 -3.744 -4.711 1.00 0.00 O ATOM 39 CB TRP A 3 7.661 -3.667 -1.327 1.00 0.00 C ATOM 40 CG TRP A 3 8.469 -3.046 -0.233 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.077 -1.840 -0.304 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.764 -3.576 1.093 1.00 0.00 C ATOM 43 NE1 TRP A 3 9.728 -1.596 0.892 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.565 -2.637 1.785 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.419 -4.768 1.753 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.007 -2.872 3.087 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.862 -5.009 3.064 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.655 -4.063 3.730 1.00 0.00 C ATOM 0 H TRP A 3 8.957 -1.949 -2.773 1.00 0.00 H new ATOM 0 HA TRP A 3 9.219 -4.868 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 3 6.888 -2.974 -1.661 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.153 -4.558 -0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.057 -1.176 -1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.263 -0.751 1.090 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.809 -5.503 1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.617 -2.139 3.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.590 -5.928 3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.993 -4.254 4.738 1.00 0.00 H new ATOM 59 N TRP A 4 7.012 -5.519 -3.608 1.00 0.00 N ATOM 60 CA TRP A 4 6.147 -5.974 -4.744 1.00 0.00 C ATOM 61 C TRP A 4 4.760 -6.331 -4.209 1.00 0.00 C ATOM 62 O TRP A 4 4.613 -7.185 -3.358 1.00 0.00 O ATOM 63 CB TRP A 4 6.774 -7.210 -5.394 1.00 0.00 C ATOM 64 CG TRP A 4 8.154 -6.879 -5.865 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.219 -6.667 -5.059 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.635 -6.721 -7.231 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.324 -6.387 -5.843 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.014 -6.409 -7.189 1.00 0.00 C ATOM 69 CE3 TRP A 4 8.014 -6.817 -8.489 1.00 0.00 C ATOM 70 CZ2 TRP A 4 10.753 -6.200 -8.354 1.00 0.00 C ATOM 71 CZ3 TRP A 4 8.754 -6.606 -9.665 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.121 -6.299 -9.597 1.00 0.00 C ATOM 0 H TRP A 4 6.990 -6.122 -2.786 1.00 0.00 H new ATOM 0 HA TRP A 4 6.061 -5.177 -5.483 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.810 -8.032 -4.679 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.162 -7.543 -6.232 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.209 -6.709 -3.980 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.253 -6.189 -5.473 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.962 -7.054 -8.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 11.805 -5.964 -8.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.268 -6.681 -10.626 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.685 -6.139 -10.504 1.00 0.00 H new ATOM 83 N VAL A 5 3.740 -5.678 -4.695 1.00 0.00 N ATOM 84 CA VAL A 5 2.365 -5.980 -4.206 1.00 0.00 C ATOM 85 C VAL A 5 1.920 -7.349 -4.726 1.00 0.00 C ATOM 86 O VAL A 5 2.148 -7.696 -5.868 1.00 0.00 O ATOM 87 CB VAL A 5 1.395 -4.902 -4.702 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.679 -3.585 -3.977 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.571 -4.700 -6.209 1.00 0.00 C ATOM 0 H VAL A 5 3.799 -4.950 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 5 2.366 -5.993 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 5 0.372 -5.219 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.989 -2.819 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.548 -3.725 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.703 -3.272 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.879 -3.933 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.594 -4.387 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.365 -5.636 -6.728 1.00 0.00 H new ATOM 99 N LYS A 6 1.278 -8.127 -3.889 1.00 0.00 N ATOM 100 CA LYS A 6 0.799 -9.481 -4.314 1.00 0.00 C ATOM 101 C LYS A 6 -0.721 -9.439 -4.472 1.00 0.00 C ATOM 102 O LYS A 6 -1.295 -10.152 -5.271 1.00 0.00 O ATOM 103 CB LYS A 6 1.168 -10.508 -3.241 1.00 0.00 C ATOM 104 CG LYS A 6 0.861 -11.917 -3.755 1.00 0.00 C ATOM 105 CD LYS A 6 1.135 -12.936 -2.647 1.00 0.00 C ATOM 106 CE LYS A 6 0.789 -14.339 -3.148 1.00 0.00 C ATOM 107 NZ LYS A 6 0.977 -15.321 -2.043 1.00 0.00 N ATOM 0 H LYS A 6 1.063 -7.881 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 6 1.264 -9.760 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.225 -10.423 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.607 -10.313 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.180 -11.981 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.475 -12.139 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.183 -12.893 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.542 -12.697 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.242 -14.367 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.424 -14.602 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.742 -16.275 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.967 -15.301 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.353 -15.073 -1.248 1.00 0.00 H new ATOM 121 N LYS A 7 -1.376 -8.601 -3.714 1.00 0.00 N ATOM 122 CA LYS A 7 -2.860 -8.494 -3.806 1.00 0.00 C ATOM 123 C LYS A 7 -3.279 -7.076 -3.412 1.00 0.00 C ATOM 124 O LYS A 7 -2.509 -6.331 -2.840 1.00 0.00 O ATOM 125 CB LYS A 7 -3.508 -9.501 -2.851 1.00 0.00 C ATOM 126 CG LYS A 7 -3.384 -10.913 -3.430 1.00 0.00 C ATOM 127 CD LYS A 7 -4.177 -11.891 -2.560 1.00 0.00 C ATOM 128 CE LYS A 7 -4.009 -13.310 -3.106 1.00 0.00 C ATOM 129 NZ LYS A 7 -4.606 -14.284 -2.149 1.00 0.00 N ATOM 0 H LYS A 7 -0.942 -7.981 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.183 -8.707 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.025 -9.454 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.558 -9.250 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.759 -10.933 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.336 -11.211 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.827 -11.843 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.231 -11.615 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.493 -13.397 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.952 -13.531 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.492 -15.249 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.125 -14.207 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.618 -14.077 -2.029 1.00 0.00 H new ATOM 143 N VAL A 8 -4.490 -6.693 -3.711 1.00 0.00 N ATOM 144 CA VAL A 8 -4.940 -5.320 -3.347 1.00 0.00 C ATOM 145 C VAL A 8 -6.467 -5.245 -3.382 1.00 0.00 C ATOM 146 O VAL A 8 -7.107 -5.795 -4.257 1.00 0.00 O ATOM 147 CB VAL A 8 -4.349 -4.312 -4.340 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.640 -4.773 -5.769 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.973 -2.927 -4.110 1.00 0.00 C ATOM 0 H VAL A 8 -5.184 -7.268 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.597 -5.083 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.271 -4.249 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.220 -4.057 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.190 -5.752 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.718 -4.839 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.549 -2.215 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.052 -2.985 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.761 -2.597 -3.093 1.00 0.00 H new ATOM 159 N GLN A 9 -7.050 -4.555 -2.433 1.00 0.00 N ATOM 160 CA GLN A 9 -8.541 -4.412 -2.381 1.00 0.00 C ATOM 161 C GLN A 9 -8.900 -2.925 -2.436 1.00 0.00 C ATOM 162 O GLN A 9 -8.398 -2.129 -1.667 1.00 0.00 O ATOM 163 CB GLN A 9 -9.061 -5.013 -1.073 1.00 0.00 C ATOM 164 CG GLN A 9 -8.409 -6.378 -0.843 1.00 0.00 C ATOM 165 CD GLN A 9 -9.134 -7.105 0.292 1.00 0.00 C ATOM 166 OE1 GLN A 9 -10.080 -6.589 0.853 1.00 0.00 O ATOM 167 NE2 GLN A 9 -8.729 -8.291 0.654 1.00 0.00 N ATOM 0 H GLN A 9 -6.551 -4.078 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.994 -4.932 -3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.837 -4.346 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.145 -5.118 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.452 -6.972 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.355 -6.252 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.935 -8.724 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.207 -8.785 1.408 1.00 0.00 H new ATOM 176 N ASP A 10 -9.760 -2.544 -3.339 1.00 0.00 N ATOM 177 CA ASP A 10 -10.144 -1.107 -3.442 1.00 0.00 C ATOM 178 C ASP A 10 -10.672 -0.617 -2.091 1.00 0.00 C ATOM 179 O ASP A 10 -10.857 -1.386 -1.169 1.00 0.00 O ATOM 180 CB ASP A 10 -11.229 -0.941 -4.508 1.00 0.00 C ATOM 181 CG ASP A 10 -12.376 -1.912 -4.225 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.317 -3.026 -4.716 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.295 -1.524 -3.521 1.00 0.00 O ATOM 0 H ASP A 10 -10.214 -3.164 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.270 -0.519 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.599 0.084 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.813 -1.131 -5.498 1.00 0.00 H new ATOM 188 N ASN A 11 -10.914 0.660 -1.969 1.00 0.00 N ATOM 189 CA ASN A 11 -11.428 1.208 -0.682 1.00 0.00 C ATOM 190 C ASN A 11 -12.944 1.016 -0.618 1.00 0.00 C ATOM 191 O ASN A 11 -13.696 1.966 -0.530 1.00 0.00 O ATOM 192 CB ASN A 11 -11.094 2.701 -0.595 1.00 0.00 C ATOM 193 CG ASN A 11 -11.354 3.360 -1.950 1.00 0.00 C ATOM 194 OD1 ASN A 11 -10.761 2.986 -2.944 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.220 4.333 -2.034 1.00 0.00 N ATOM 0 H ASN A 11 -10.777 1.349 -2.708 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.961 0.684 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.701 3.176 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.051 2.835 -0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.400 4.780 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.717 4.647 -1.200 1.00 0.00 H new ATOM 202 N ALA A 12 -13.397 -0.204 -0.662 1.00 0.00 N ATOM 203 CA ALA A 12 -14.863 -0.455 -0.605 1.00 0.00 C ATOM 204 C ALA A 12 -15.419 0.075 0.720 1.00 0.00 C ATOM 205 O ALA A 12 -16.615 0.115 0.930 1.00 0.00 O ATOM 206 CB ALA A 12 -15.124 -1.958 -0.705 1.00 0.00 C ATOM 0 H ALA A 12 -12.816 -1.039 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.354 0.055 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.197 -2.144 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.726 -2.334 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.635 -2.468 0.125 1.00 0.00 H new ATOM 212 N SER A 13 -14.560 0.482 1.616 1.00 0.00 N ATOM 213 CA SER A 13 -15.041 1.010 2.925 1.00 0.00 C ATOM 214 C SER A 13 -15.438 2.479 2.765 1.00 0.00 C ATOM 215 O SER A 13 -16.490 2.899 3.204 1.00 0.00 O ATOM 216 CB SER A 13 -13.920 0.895 3.962 1.00 0.00 C ATOM 217 OG SER A 13 -14.473 1.019 5.266 1.00 0.00 O ATOM 0 H SER A 13 -13.547 0.472 1.498 1.00 0.00 H new ATOM 0 HA SER A 13 -15.905 0.433 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.411 -0.063 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.174 1.672 3.795 1.00 0.00 H new ATOM 0 HG SER A 13 -13.759 0.944 5.933 1.00 0.00 H new ATOM 223 N ALA A 14 -14.601 3.260 2.137 1.00 0.00 N ATOM 224 CA ALA A 14 -14.913 4.705 1.939 1.00 0.00 C ATOM 225 C ALA A 14 -13.673 5.403 1.371 1.00 0.00 C ATOM 226 O ALA A 14 -13.762 6.220 0.476 1.00 0.00 O ATOM 227 CB ALA A 14 -15.299 5.340 3.286 1.00 0.00 C ATOM 0 H ALA A 14 -13.708 2.957 1.750 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.747 4.814 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.526 6.396 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.175 4.833 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.469 5.242 3.986 1.00 0.00 H new ATOM 233 N SER A 15 -12.518 5.084 1.887 1.00 0.00 N ATOM 234 CA SER A 15 -11.270 5.722 1.382 1.00 0.00 C ATOM 235 C SER A 15 -10.059 5.013 1.988 1.00 0.00 C ATOM 236 O SER A 15 -9.089 5.636 2.370 1.00 0.00 O ATOM 237 CB SER A 15 -11.252 7.197 1.786 1.00 0.00 C ATOM 238 OG SER A 15 -12.185 7.913 0.988 1.00 0.00 O ATOM 0 H SER A 15 -12.385 4.407 2.638 1.00 0.00 H new ATOM 0 HA SER A 15 -11.233 5.643 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.504 7.300 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.252 7.610 1.655 1.00 0.00 H new ATOM 0 HG SER A 15 -12.675 7.286 0.416 1.00 0.00 H new ATOM 244 N LEU A 16 -10.109 3.708 2.078 1.00 0.00 N ATOM 245 CA LEU A 16 -8.966 2.941 2.662 1.00 0.00 C ATOM 246 C LEU A 16 -8.746 1.662 1.853 1.00 0.00 C ATOM 247 O LEU A 16 -9.482 0.703 1.980 1.00 0.00 O ATOM 248 CB LEU A 16 -9.295 2.564 4.114 1.00 0.00 C ATOM 249 CG LEU A 16 -9.148 3.794 5.035 1.00 0.00 C ATOM 250 CD1 LEU A 16 -10.055 3.635 6.259 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.694 3.927 5.510 1.00 0.00 C ATOM 0 H LEU A 16 -10.897 3.138 1.770 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.066 3.555 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.312 2.176 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.630 1.769 4.450 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.432 4.685 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.948 4.505 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.092 3.549 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.771 2.737 6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.601 4.798 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.408 3.031 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.039 4.046 4.647 1.00 0.00 H new ATOM 263 N CYS A 17 -7.728 1.630 1.035 1.00 0.00 N ATOM 264 CA CYS A 17 -7.446 0.404 0.232 1.00 0.00 C ATOM 265 C CYS A 17 -6.387 -0.413 0.964 1.00 0.00 C ATOM 266 O CYS A 17 -5.541 0.134 1.637 1.00 0.00 O ATOM 267 CB CYS A 17 -6.916 0.807 -1.146 1.00 0.00 C ATOM 268 SG CYS A 17 -8.278 1.438 -2.156 1.00 0.00 S ATOM 0 H CYS A 17 -7.078 2.402 0.888 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.356 -0.182 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.143 1.569 -1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.454 -0.051 -1.635 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.877 1.583 -3.384 1.00 0.00 H new ATOM 274 N ARG A 18 -6.425 -1.714 0.848 1.00 0.00 N ATOM 275 CA ARG A 18 -5.410 -2.569 1.546 1.00 0.00 C ATOM 276 C ARG A 18 -4.503 -3.217 0.506 1.00 0.00 C ATOM 277 O ARG A 18 -4.940 -3.589 -0.565 1.00 0.00 O ATOM 278 CB ARG A 18 -6.125 -3.662 2.344 1.00 0.00 C ATOM 279 CG ARG A 18 -6.841 -3.039 3.546 1.00 0.00 C ATOM 280 CD ARG A 18 -7.305 -4.147 4.493 1.00 0.00 C ATOM 281 NE ARG A 18 -8.355 -4.965 3.825 1.00 0.00 N ATOM 282 CZ ARG A 18 -9.551 -4.474 3.648 1.00 0.00 C ATOM 283 NH1 ARG A 18 -9.827 -3.266 4.057 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.471 -5.191 3.064 1.00 0.00 N ATOM 0 H ARG A 18 -7.116 -2.226 0.299 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.817 -1.954 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.844 -4.179 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.406 -4.408 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.171 -2.356 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.695 -2.452 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.461 -4.778 4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.697 -3.713 5.413 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.139 -5.909 3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.108 -2.706 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.762 -2.882 3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.256 -6.136 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.406 -4.807 2.926 1.00 0.00 H new ATOM 298 N VAL A 19 -3.237 -3.352 0.809 1.00 0.00 N ATOM 299 CA VAL A 19 -2.287 -3.977 -0.165 1.00 0.00 C ATOM 300 C VAL A 19 -1.337 -4.919 0.566 1.00 0.00 C ATOM 301 O VAL A 19 -0.830 -4.611 1.626 1.00 0.00 O ATOM 302 CB VAL A 19 -1.456 -2.891 -0.851 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.367 -1.972 -1.661 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.716 -2.074 0.208 1.00 0.00 C ATOM 0 H VAL A 19 -2.818 -3.056 1.691 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.865 -4.530 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.736 -3.360 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.768 -1.201 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.891 -2.555 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.093 -1.503 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.123 -1.300 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.438 -1.610 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.058 -2.729 0.779 1.00 0.00 H new ATOM 314 N VAL A 20 -1.074 -6.061 -0.010 1.00 0.00 N ATOM 315 CA VAL A 20 -0.130 -7.024 0.625 1.00 0.00 C ATOM 316 C VAL A 20 1.246 -6.833 -0.012 1.00 0.00 C ATOM 317 O VAL A 20 1.438 -7.101 -1.181 1.00 0.00 O ATOM 318 CB VAL A 20 -0.609 -8.457 0.385 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.287 -9.428 1.160 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.052 -8.600 0.873 1.00 0.00 C ATOM 0 H VAL A 20 -1.474 -6.369 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.081 -6.846 1.699 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.560 -8.684 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.052 -10.450 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.317 -9.326 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.235 -9.200 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.394 -9.621 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.100 -8.374 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.691 -7.907 0.326 1.00 0.00 H new ATOM 330 N LEU A 21 2.204 -6.351 0.737 1.00 0.00 N ATOM 331 CA LEU A 21 3.564 -6.124 0.156 1.00 0.00 C ATOM 332 C LEU A 21 4.460 -7.331 0.438 1.00 0.00 C ATOM 333 O LEU A 21 4.658 -7.725 1.570 1.00 0.00 O ATOM 334 CB LEU A 21 4.182 -4.879 0.800 1.00 0.00 C ATOM 335 CG LEU A 21 3.136 -3.764 0.866 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.790 -2.486 1.393 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.568 -3.512 -0.535 1.00 0.00 C ATOM 0 H LEU A 21 2.106 -6.105 1.722 1.00 0.00 H new ATOM 0 HA LEU A 21 3.477 -5.985 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.541 -5.115 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.045 -4.548 0.222 1.00 0.00 H new ATOM 0 HG LEU A 21 2.328 -4.060 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.047 -1.690 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.192 -2.667 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.598 -2.188 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.823 -2.718 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.374 -3.215 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.103 -4.424 -0.909 1.00 0.00 H new ATOM 349 N GLN A 22 5.006 -7.919 -0.596 1.00 0.00 N ATOM 350 CA GLN A 22 5.899 -9.104 -0.420 1.00 0.00 C ATOM 351 C GLN A 22 7.358 -8.653 -0.507 1.00 0.00 C ATOM 352 O GLN A 22 7.685 -7.714 -1.207 1.00 0.00 O ATOM 353 CB GLN A 22 5.611 -10.120 -1.530 1.00 0.00 C ATOM 354 CG GLN A 22 6.628 -11.262 -1.463 1.00 0.00 C ATOM 355 CD GLN A 22 6.165 -12.412 -2.360 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.335 -13.208 -1.966 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.667 -12.533 -3.558 1.00 0.00 N ATOM 0 H GLN A 22 4.870 -7.626 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 22 5.717 -9.563 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.600 -10.514 -1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.661 -9.633 -2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.608 -10.909 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.734 -11.609 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.363 -11.865 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.363 -13.295 -4.164 1.00 0.00 H new ATOM 366 N SER A 23 8.241 -9.311 0.200 1.00 0.00 N ATOM 367 CA SER A 23 9.682 -8.911 0.157 1.00 0.00 C ATOM 368 C SER A 23 10.573 -10.143 0.337 1.00 0.00 C ATOM 369 O SER A 23 10.617 -10.740 1.393 1.00 0.00 O ATOM 370 CB SER A 23 9.965 -7.912 1.280 1.00 0.00 C ATOM 371 OG SER A 23 11.357 -7.916 1.571 1.00 0.00 O ATOM 0 H SER A 23 8.029 -10.105 0.804 1.00 0.00 H new ATOM 0 HA SER A 23 9.897 -8.452 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.647 -6.913 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.395 -8.177 2.170 1.00 0.00 H new ATOM 0 HG SER A 23 11.543 -7.276 2.289 1.00 0.00 H new ATOM 377 N GLY A 24 11.289 -10.519 -0.690 1.00 0.00 N ATOM 378 CA GLY A 24 12.185 -11.706 -0.585 1.00 0.00 C ATOM 379 C GLY A 24 11.347 -12.984 -0.549 1.00 0.00 C ATOM 380 O GLY A 24 11.555 -13.897 -1.323 1.00 0.00 O ATOM 0 H GLY A 24 11.291 -10.054 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.870 -11.733 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.795 -11.634 0.315 1.00 0.00 H new ATOM 384 N ALA A 25 10.403 -13.057 0.346 1.00 0.00 N ATOM 385 CA ALA A 25 9.551 -14.276 0.436 1.00 0.00 C ATOM 386 C ALA A 25 8.472 -14.063 1.501 1.00 0.00 C ATOM 387 O ALA A 25 7.389 -14.607 1.418 1.00 0.00 O ATOM 388 CB ALA A 25 10.418 -15.477 0.820 1.00 0.00 C ATOM 0 H ALA A 25 10.184 -12.324 1.021 1.00 0.00 H new ATOM 0 HA ALA A 25 9.079 -14.464 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.795 -16.369 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.188 -15.627 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.890 -15.292 1.785 1.00 0.00 H new ATOM 394 N LEU A 26 8.759 -13.273 2.501 1.00 0.00 N ATOM 395 CA LEU A 26 7.748 -13.027 3.566 1.00 0.00 C ATOM 396 C LEU A 26 6.639 -12.136 3.004 1.00 0.00 C ATOM 397 O LEU A 26 6.743 -11.622 1.909 1.00 0.00 O ATOM 398 CB LEU A 26 8.419 -12.333 4.759 1.00 0.00 C ATOM 399 CG LEU A 26 9.179 -13.363 5.599 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.296 -13.991 4.761 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.786 -12.669 6.822 1.00 0.00 C ATOM 0 H LEU A 26 9.648 -12.789 2.625 1.00 0.00 H new ATOM 0 HA LEU A 26 7.322 -13.974 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.104 -11.563 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.667 -11.834 5.371 1.00 0.00 H new ATOM 0 HG LEU A 26 8.492 -14.144 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.834 -14.723 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.864 -14.484 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.986 -13.213 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.328 -13.399 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.472 -11.888 6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.991 -12.225 7.421 1.00 0.00 H new ATOM 413 N GLU A 27 5.575 -11.952 3.749 1.00 0.00 N ATOM 414 CA GLU A 27 4.443 -11.096 3.269 1.00 0.00 C ATOM 415 C GLU A 27 4.097 -10.061 4.340 1.00 0.00 C ATOM 416 O GLU A 27 4.311 -10.274 5.516 1.00 0.00 O ATOM 417 CB GLU A 27 3.218 -11.973 3.001 1.00 0.00 C ATOM 418 CG GLU A 27 3.580 -13.064 1.988 1.00 0.00 C ATOM 419 CD GLU A 27 4.454 -14.125 2.661 1.00 0.00 C ATOM 420 OE1 GLU A 27 4.511 -14.133 3.880 1.00 0.00 O ATOM 421 OE2 GLU A 27 5.051 -14.912 1.946 1.00 0.00 O ATOM 0 H GLU A 27 5.441 -12.360 4.674 1.00 0.00 H new ATOM 0 HA GLU A 27 4.738 -10.588 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.872 -12.426 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.399 -11.364 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.673 -13.523 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.110 -12.626 1.142 1.00 0.00 H new ATOM 428 N MET A 28 3.564 -8.936 3.936 1.00 0.00 N ATOM 429 CA MET A 28 3.195 -7.869 4.915 1.00 0.00 C ATOM 430 C MET A 28 1.834 -7.289 4.526 1.00 0.00 C ATOM 431 O MET A 28 1.409 -7.404 3.396 1.00 0.00 O ATOM 432 CB MET A 28 4.250 -6.759 4.875 1.00 0.00 C ATOM 433 CG MET A 28 5.633 -7.348 5.172 1.00 0.00 C ATOM 434 SD MET A 28 6.273 -8.164 3.689 1.00 0.00 S ATOM 435 CE MET A 28 7.762 -8.864 4.440 1.00 0.00 C ATOM 0 H MET A 28 3.367 -8.709 2.961 1.00 0.00 H new ATOM 0 HA MET A 28 3.146 -8.288 5.920 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.251 -6.280 3.896 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.008 -5.988 5.606 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.315 -6.559 5.489 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.567 -8.062 5.993 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.265 -9.508 3.719 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.433 -8.058 4.737 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.486 -9.448 5.318 1.00 0.00 H new ATOM 445 N ILE A 29 1.153 -6.661 5.453 1.00 0.00 N ATOM 446 CA ILE A 29 -0.184 -6.056 5.151 1.00 0.00 C ATOM 447 C ILE A 29 -0.161 -4.600 5.607 1.00 0.00 C ATOM 448 O ILE A 29 0.345 -4.284 6.666 1.00 0.00 O ATOM 449 CB ILE A 29 -1.283 -6.821 5.902 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.463 -8.199 5.258 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.603 -6.046 5.823 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.386 -9.062 6.124 1.00 0.00 C ATOM 0 H ILE A 29 1.469 -6.540 6.415 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.391 -6.112 4.082 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.997 -6.934 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.884 -8.091 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.495 -8.687 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.379 -6.594 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.475 -5.063 6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.895 -5.930 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.510 -10.041 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.948 -9.183 7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.358 -8.578 6.214 1.00 0.00 H new ATOM 464 N ALA A 30 -0.685 -3.702 4.816 1.00 0.00 N ATOM 465 CA ALA A 30 -0.663 -2.265 5.215 1.00 0.00 C ATOM 466 C ALA A 30 -1.893 -1.537 4.680 1.00 0.00 C ATOM 467 O ALA A 30 -2.298 -1.721 3.549 1.00 0.00 O ATOM 468 CB ALA A 30 0.599 -1.616 4.646 1.00 0.00 C ATOM 0 H ALA A 30 -1.124 -3.899 3.917 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.668 -2.197 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.627 -0.564 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.479 -2.123 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.592 -1.698 3.559 1.00 0.00 H new ATOM 474 N GLU A 31 -2.479 -0.694 5.489 1.00 0.00 N ATOM 475 CA GLU A 31 -3.671 0.073 5.035 1.00 0.00 C ATOM 476 C GLU A 31 -3.187 1.266 4.207 1.00 0.00 C ATOM 477 O GLU A 31 -2.236 1.931 4.563 1.00 0.00 O ATOM 478 CB GLU A 31 -4.459 0.562 6.253 1.00 0.00 C ATOM 479 CG GLU A 31 -5.319 -0.578 6.804 1.00 0.00 C ATOM 480 CD GLU A 31 -5.958 -0.144 8.125 1.00 0.00 C ATOM 481 OE1 GLU A 31 -6.719 0.809 8.105 1.00 0.00 O ATOM 482 OE2 GLU A 31 -5.676 -0.771 9.132 1.00 0.00 O ATOM 0 H GLU A 31 -2.181 -0.505 6.446 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.322 -0.558 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.774 0.918 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.091 1.405 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.093 -0.845 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.707 -1.467 6.959 1.00 0.00 H new ATOM 489 N ILE A 32 -3.825 1.521 3.094 1.00 0.00 N ATOM 490 CA ILE A 32 -3.408 2.648 2.198 1.00 0.00 C ATOM 491 C ILE A 32 -4.531 3.693 2.123 1.00 0.00 C ATOM 492 O ILE A 32 -5.701 3.372 2.177 1.00 0.00 O ATOM 493 CB ILE A 32 -3.108 2.055 0.794 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.616 1.689 0.682 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.454 3.045 -0.326 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.188 0.818 1.870 1.00 0.00 C ATOM 0 H ILE A 32 -4.629 0.990 2.761 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.517 3.143 2.585 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.728 1.166 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.435 1.156 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.014 2.597 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.230 2.594 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.514 3.293 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.864 3.953 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.131 0.568 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.350 1.365 2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.778 -0.098 1.880 1.00 0.00 H new ATOM 508 N GLU A 33 -4.163 4.944 1.979 1.00 0.00 N ATOM 509 CA GLU A 33 -5.174 6.042 1.874 1.00 0.00 C ATOM 510 C GLU A 33 -4.865 6.864 0.621 1.00 0.00 C ATOM 511 O GLU A 33 -3.972 7.688 0.616 1.00 0.00 O ATOM 512 CB GLU A 33 -5.080 6.941 3.110 1.00 0.00 C ATOM 513 CG GLU A 33 -5.756 6.253 4.296 1.00 0.00 C ATOM 514 CD GLU A 33 -5.688 7.166 5.522 1.00 0.00 C ATOM 515 OE1 GLU A 33 -4.599 7.352 6.038 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.728 7.662 5.925 1.00 0.00 O ATOM 0 H GLU A 33 -3.192 5.254 1.929 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.179 5.624 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.036 7.148 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.558 7.900 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.795 6.027 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.264 5.304 4.508 1.00 0.00 H new ATOM 523 N ALA A 34 -5.585 6.638 -0.449 1.00 0.00 N ATOM 524 CA ALA A 34 -5.324 7.397 -1.713 1.00 0.00 C ATOM 525 C ALA A 34 -6.648 7.736 -2.397 1.00 0.00 C ATOM 526 O ALA A 34 -7.706 7.662 -1.805 1.00 0.00 O ATOM 527 CB ALA A 34 -4.482 6.532 -2.654 1.00 0.00 C ATOM 0 H ALA A 34 -6.344 5.959 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.792 8.319 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.289 7.080 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.535 6.286 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.021 5.613 -2.884 1.00 0.00 H new ATOM 533 N CYS A 35 -6.591 8.107 -3.650 1.00 0.00 N ATOM 534 CA CYS A 35 -7.835 8.456 -4.399 1.00 0.00 C ATOM 535 C CYS A 35 -7.715 7.935 -5.833 1.00 0.00 C ATOM 536 O CYS A 35 -8.679 7.882 -6.569 1.00 0.00 O ATOM 537 CB CYS A 35 -8.008 9.976 -4.421 1.00 0.00 C ATOM 538 SG CYS A 35 -8.305 10.573 -2.738 1.00 0.00 S ATOM 0 H CYS A 35 -5.729 8.184 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.698 8.002 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.117 10.448 -4.834 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.842 10.249 -5.068 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.322 9.565 -1.917 1.00 0.00 H new ATOM 544 N ARG A 36 -6.533 7.547 -6.232 1.00 0.00 N ATOM 545 CA ARG A 36 -6.349 7.024 -7.614 1.00 0.00 C ATOM 546 C ARG A 36 -6.929 5.612 -7.697 1.00 0.00 C ATOM 547 O ARG A 36 -7.471 5.211 -8.708 1.00 0.00 O ATOM 548 CB ARG A 36 -4.856 6.985 -7.951 1.00 0.00 C ATOM 549 CG ARG A 36 -4.130 6.074 -6.959 1.00 0.00 C ATOM 550 CD ARG A 36 -2.621 6.178 -7.181 1.00 0.00 C ATOM 551 NE ARG A 36 -2.199 7.603 -7.078 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.073 8.163 -5.905 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.316 7.474 -4.824 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.703 9.411 -5.815 1.00 0.00 N ATOM 0 H ARG A 36 -5.689 7.570 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.862 7.673 -8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.712 6.620 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.437 7.991 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.378 6.360 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.457 5.043 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.092 5.577 -6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.359 5.780 -8.161 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.009 8.141 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.604 6.498 -4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.218 7.911 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.512 9.949 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.604 9.849 -4.899 1.00 0.00 H new ATOM 568 N LEU A 37 -6.828 4.857 -6.636 1.00 0.00 N ATOM 569 CA LEU A 37 -7.379 3.475 -6.640 1.00 0.00 C ATOM 570 C LEU A 37 -6.969 2.756 -7.928 1.00 0.00 C ATOM 571 O LEU A 37 -7.532 1.743 -8.293 1.00 0.00 O ATOM 572 CB LEU A 37 -8.904 3.551 -6.540 1.00 0.00 C ATOM 573 CG LEU A 37 -9.296 4.668 -5.567 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.808 4.648 -5.343 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.580 4.456 -4.228 1.00 0.00 C ATOM 0 H LEU A 37 -6.385 5.142 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.985 2.916 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.335 3.742 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.305 2.597 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.005 5.630 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.084 5.443 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.319 4.801 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.101 3.685 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.859 5.251 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.869 3.492 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.502 4.474 -4.385 1.00 0.00 H new ATOM 587 N ARG A 38 -5.988 3.274 -8.619 1.00 0.00 N ATOM 588 CA ARG A 38 -5.529 2.626 -9.884 1.00 0.00 C ATOM 589 C ARG A 38 -4.424 1.618 -9.557 1.00 0.00 C ATOM 590 O ARG A 38 -3.720 1.142 -10.426 1.00 0.00 O ATOM 591 CB ARG A 38 -4.984 3.705 -10.832 1.00 0.00 C ATOM 592 CG ARG A 38 -4.988 3.187 -12.278 1.00 0.00 C ATOM 593 CD ARG A 38 -4.001 4.001 -13.117 1.00 0.00 C ATOM 594 NE ARG A 38 -4.233 3.725 -14.563 1.00 0.00 N ATOM 595 CZ ARG A 38 -5.266 4.242 -15.169 1.00 0.00 C ATOM 596 NH1 ARG A 38 -6.096 5.003 -14.511 1.00 0.00 N ATOM 597 NH2 ARG A 38 -5.469 3.998 -16.436 1.00 0.00 N ATOM 0 H ARG A 38 -5.483 4.122 -8.361 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.361 2.109 -10.363 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.593 4.606 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.971 3.980 -10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.714 2.132 -12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.990 3.264 -12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.126 5.065 -12.914 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.977 3.743 -12.846 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.584 3.131 -15.079 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.938 5.194 -13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.903 5.407 -14.986 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.820 3.403 -16.951 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.277 4.402 -16.910 1.00 0.00 H new ATOM 611 N LEU A 39 -4.267 1.292 -8.306 1.00 0.00 N ATOM 612 CA LEU A 39 -3.210 0.319 -7.915 1.00 0.00 C ATOM 613 C LEU A 39 -3.515 -1.036 -8.545 1.00 0.00 C ATOM 614 O LEU A 39 -4.658 -1.417 -8.704 1.00 0.00 O ATOM 615 CB LEU A 39 -3.180 0.173 -6.391 1.00 0.00 C ATOM 616 CG LEU A 39 -3.116 1.555 -5.733 1.00 0.00 C ATOM 617 CD1 LEU A 39 -3.250 1.400 -4.216 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.777 2.228 -6.063 1.00 0.00 C ATOM 0 H LEU A 39 -4.826 1.658 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.241 0.678 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.068 -0.360 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.317 -0.422 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.930 2.173 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.205 2.382 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.204 0.928 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.436 0.779 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.738 3.210 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.959 1.613 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.682 2.339 -7.143 1.00 0.00 H new ATOM 630 N ARG A 40 -2.496 -1.770 -8.902 1.00 0.00 N ATOM 631 CA ARG A 40 -2.705 -3.113 -9.526 1.00 0.00 C ATOM 632 C ARG A 40 -1.664 -4.090 -8.973 1.00 0.00 C ATOM 633 O ARG A 40 -0.742 -3.703 -8.284 1.00 0.00 O ATOM 634 CB ARG A 40 -2.542 -3.002 -11.049 1.00 0.00 C ATOM 635 CG ARG A 40 -3.787 -2.347 -11.677 1.00 0.00 C ATOM 636 CD ARG A 40 -4.861 -3.406 -11.960 1.00 0.00 C ATOM 637 NE ARG A 40 -4.304 -4.452 -12.863 1.00 0.00 N ATOM 638 CZ ARG A 40 -4.195 -4.221 -14.142 1.00 0.00 C ATOM 639 NH1 ARG A 40 -4.575 -3.072 -14.632 1.00 0.00 N ATOM 640 NH2 ARG A 40 -3.706 -5.136 -14.932 1.00 0.00 N ATOM 0 H ARG A 40 -1.520 -1.497 -8.788 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.708 -3.473 -9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.656 -2.413 -11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.389 -3.992 -11.478 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.185 -1.587 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.512 -1.841 -12.603 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.196 -3.858 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.733 -2.941 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.008 -5.350 -12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.957 -2.355 -14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.490 -2.891 -15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.408 -6.034 -14.550 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.621 -4.954 -15.932 1.00 0.00 H new ATOM 654 N GLU A 41 -1.805 -5.352 -9.271 1.00 0.00 N ATOM 655 CA GLU A 41 -0.821 -6.350 -8.763 1.00 0.00 C ATOM 656 C GLU A 41 0.486 -6.225 -9.549 1.00 0.00 C ATOM 657 O GLU A 41 0.497 -5.820 -10.694 1.00 0.00 O ATOM 658 CB GLU A 41 -1.389 -7.760 -8.939 1.00 0.00 C ATOM 659 CG GLU A 41 -2.548 -7.970 -7.964 1.00 0.00 C ATOM 660 CD GLU A 41 -3.029 -9.420 -8.046 1.00 0.00 C ATOM 661 OE1 GLU A 41 -2.305 -10.290 -7.590 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.113 -9.636 -8.563 1.00 0.00 O ATOM 0 H GLU A 41 -2.557 -5.735 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.628 -6.164 -7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.733 -7.899 -9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.611 -8.502 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.229 -7.739 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.366 -7.290 -8.203 1.00 0.00 H new ATOM 669 N GLY A 42 1.589 -6.570 -8.942 1.00 0.00 N ATOM 670 CA GLY A 42 2.895 -6.472 -9.655 1.00 0.00 C ATOM 671 C GLY A 42 3.393 -5.026 -9.619 1.00 0.00 C ATOM 672 O GLY A 42 4.313 -4.660 -10.323 1.00 0.00 O ATOM 0 H GLY A 42 1.642 -6.915 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.626 -7.131 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.783 -6.803 -10.687 1.00 0.00 H new ATOM 676 N ASP A 43 2.794 -4.201 -8.804 1.00 0.00 N ATOM 677 CA ASP A 43 3.237 -2.780 -8.727 1.00 0.00 C ATOM 678 C ASP A 43 4.522 -2.692 -7.898 1.00 0.00 C ATOM 679 O ASP A 43 4.655 -3.326 -6.869 1.00 0.00 O ATOM 680 CB ASP A 43 2.140 -1.936 -8.068 1.00 0.00 C ATOM 681 CG ASP A 43 2.384 -0.455 -8.361 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.509 -0.113 -8.686 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.441 0.312 -8.257 1.00 0.00 O ATOM 0 H ASP A 43 2.019 -4.449 -8.189 1.00 0.00 H new ATOM 0 HA ASP A 43 3.427 -2.403 -9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.162 -2.235 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.133 -2.107 -6.992 1.00 0.00 H new ATOM 688 N LYS A 44 5.473 -1.908 -8.342 1.00 0.00 N ATOM 689 CA LYS A 44 6.757 -1.770 -7.589 1.00 0.00 C ATOM 690 C LYS A 44 6.708 -0.507 -6.727 1.00 0.00 C ATOM 691 O LYS A 44 6.657 0.597 -7.232 1.00 0.00 O ATOM 692 CB LYS A 44 7.916 -1.661 -8.582 1.00 0.00 C ATOM 693 CG LYS A 44 7.776 -2.743 -9.655 1.00 0.00 C ATOM 694 CD LYS A 44 9.097 -2.887 -10.415 1.00 0.00 C ATOM 695 CE LYS A 44 9.400 -1.590 -11.172 1.00 0.00 C ATOM 696 NZ LYS A 44 10.451 -1.848 -12.197 1.00 0.00 N ATOM 0 H LYS A 44 5.414 -1.355 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 44 6.902 -2.642 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.920 -0.674 -9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.867 -1.773 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.504 -3.693 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.974 -2.483 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.906 -3.111 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.037 -3.722 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.495 -1.215 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.736 -0.820 -10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.658 -0.968 -12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.316 -2.187 -11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.114 -2.569 -12.866 1.00 0.00 H new ATOM 710 N LEU A 45 6.724 -0.662 -5.427 1.00 0.00 N ATOM 711 CA LEU A 45 6.678 0.525 -4.517 1.00 0.00 C ATOM 712 C LEU A 45 8.085 0.816 -3.987 1.00 0.00 C ATOM 713 O LEU A 45 8.635 0.059 -3.212 1.00 0.00 O ATOM 714 CB LEU A 45 5.742 0.220 -3.342 1.00 0.00 C ATOM 715 CG LEU A 45 4.480 -0.473 -3.859 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.502 -0.678 -2.700 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.822 0.396 -4.935 1.00 0.00 C ATOM 0 H LEU A 45 6.767 -1.564 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 45 6.311 1.394 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.248 -0.417 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.477 1.143 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 45 4.746 -1.439 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.602 -1.172 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.970 -1.297 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.237 0.289 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.923 -0.099 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.555 1.363 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.519 0.543 -5.760 1.00 0.00 H new ATOM 729 N THR A 46 8.677 1.908 -4.400 1.00 0.00 N ATOM 730 CA THR A 46 10.052 2.250 -3.924 1.00 0.00 C ATOM 731 C THR A 46 9.946 3.150 -2.682 1.00 0.00 C ATOM 732 O THR A 46 8.987 3.880 -2.528 1.00 0.00 O ATOM 733 CB THR A 46 10.802 3.004 -5.034 1.00 0.00 C ATOM 734 OG1 THR A 46 10.603 4.401 -4.876 1.00 0.00 O ATOM 735 CG2 THR A 46 10.278 2.567 -6.404 1.00 0.00 C ATOM 0 H THR A 46 8.266 2.580 -5.048 1.00 0.00 H new ATOM 0 HA THR A 46 10.592 1.337 -3.673 1.00 0.00 H new ATOM 0 HB THR A 46 11.866 2.776 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.099 4.748 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.813 3.105 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.434 1.495 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.213 2.789 -6.474 1.00 0.00 H new ATOM 743 N PRO A 47 10.920 3.110 -1.800 1.00 0.00 N ATOM 744 CA PRO A 47 10.914 3.950 -0.563 1.00 0.00 C ATOM 745 C PRO A 47 11.243 5.418 -0.865 1.00 0.00 C ATOM 746 O PRO A 47 12.216 5.721 -1.526 1.00 0.00 O ATOM 747 CB PRO A 47 12.007 3.312 0.302 1.00 0.00 C ATOM 748 CG PRO A 47 12.976 2.742 -0.683 1.00 0.00 C ATOM 749 CD PRO A 47 12.134 2.270 -1.873 1.00 0.00 C ATOM 0 HA PRO A 47 9.937 3.972 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.484 4.050 0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.598 2.537 0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.705 3.491 -0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.535 1.914 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.661 2.410 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.892 1.210 -1.797 1.00 0.00 H new ATOM 757 N LEU A 48 10.442 6.331 -0.382 1.00 0.00 N ATOM 758 CA LEU A 48 10.715 7.774 -0.641 1.00 0.00 C ATOM 759 C LEU A 48 11.765 8.275 0.352 1.00 0.00 C ATOM 760 O LEU A 48 12.865 8.633 -0.020 1.00 0.00 O ATOM 761 CB LEU A 48 9.420 8.576 -0.472 1.00 0.00 C ATOM 762 CG LEU A 48 9.645 10.045 -0.874 1.00 0.00 C ATOM 763 CD1 LEU A 48 9.899 10.157 -2.390 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.403 10.861 -0.497 1.00 0.00 C ATOM 0 H LEU A 48 9.612 6.140 0.180 1.00 0.00 H new ATOM 0 HA LEU A 48 11.087 7.901 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.632 8.140 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.084 8.523 0.563 1.00 0.00 H new ATOM 0 HG LEU A 48 10.518 10.430 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.056 11.202 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.784 9.578 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.037 9.770 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.553 11.903 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.534 10.465 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.237 10.796 0.578 1.00 0.00 H new ATOM 776 N ALA A 49 11.436 8.306 1.616 1.00 0.00 N ATOM 777 CA ALA A 49 12.419 8.785 2.628 1.00 0.00 C ATOM 778 C ALA A 49 11.879 8.521 4.036 1.00 0.00 C ATOM 779 O ALA A 49 12.356 7.653 4.740 1.00 0.00 O ATOM 780 CB ALA A 49 12.648 10.288 2.444 1.00 0.00 C ATOM 0 H ALA A 49 10.531 8.021 1.990 1.00 0.00 H new ATOM 0 HA ALA A 49 13.361 8.253 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.367 10.640 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.035 10.477 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.705 10.818 2.574 1.00 0.00 H new ATOM 786 N ASP A 50 10.890 9.265 4.454 1.00 0.00 N ATOM 787 CA ASP A 50 10.327 9.056 5.818 1.00 0.00 C ATOM 788 C ASP A 50 9.466 7.791 5.832 1.00 0.00 C ATOM 789 O ASP A 50 9.571 6.968 6.719 1.00 0.00 O ATOM 790 CB ASP A 50 9.465 10.262 6.203 1.00 0.00 C ATOM 791 CG ASP A 50 10.283 11.544 6.043 1.00 0.00 C ATOM 792 OD1 ASP A 50 11.285 11.674 6.727 1.00 0.00 O ATOM 793 OD2 ASP A 50 9.892 12.377 5.241 1.00 0.00 O ATOM 0 H ASP A 50 10.449 10.007 3.911 1.00 0.00 H new ATOM 0 HA ASP A 50 11.143 8.946 6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.577 10.304 5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.121 10.163 7.233 1.00 0.00 H new ATOM 798 N ALA A 51 8.615 7.628 4.856 1.00 0.00 N ATOM 799 CA ALA A 51 7.751 6.415 4.817 1.00 0.00 C ATOM 800 C ALA A 51 6.932 6.412 3.526 1.00 0.00 C ATOM 801 O ALA A 51 6.611 5.373 2.987 1.00 0.00 O ATOM 802 CB ALA A 51 6.803 6.422 6.019 1.00 0.00 C ATOM 0 H ALA A 51 8.481 8.282 4.085 1.00 0.00 H new ATOM 0 HA ALA A 51 8.378 5.524 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.171 5.534 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.384 6.423 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.177 7.314 5.984 1.00 0.00 H new ATOM 808 N ARG A 52 6.591 7.567 3.025 1.00 0.00 N ATOM 809 CA ARG A 52 5.792 7.624 1.769 1.00 0.00 C ATOM 810 C ARG A 52 6.443 6.734 0.710 1.00 0.00 C ATOM 811 O ARG A 52 7.651 6.601 0.659 1.00 0.00 O ATOM 812 CB ARG A 52 5.740 9.067 1.262 1.00 0.00 C ATOM 813 CG ARG A 52 4.867 9.906 2.197 1.00 0.00 C ATOM 814 CD ARG A 52 4.655 11.294 1.588 1.00 0.00 C ATOM 815 NE ARG A 52 5.961 12.005 1.510 1.00 0.00 N ATOM 816 CZ ARG A 52 5.991 13.298 1.332 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.876 13.968 1.224 1.00 0.00 N ATOM 818 NH2 ARG A 52 7.136 13.921 1.263 1.00 0.00 N ATOM 0 H ARG A 52 6.830 8.472 3.430 1.00 0.00 H new ATOM 0 HA ARG A 52 4.779 7.272 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.746 9.484 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.337 9.094 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.906 9.415 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.342 9.994 3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.218 11.204 0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.953 11.866 2.195 1.00 0.00 H new ATOM 0 HE ARG A 52 6.832 11.482 1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.981 13.481 1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.899 14.978 1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.007 13.398 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.159 14.931 1.124 1.00 0.00 H new ATOM 832 N TYR A 53 5.650 6.124 -0.135 1.00 0.00 N ATOM 833 CA TYR A 53 6.201 5.232 -1.205 1.00 0.00 C ATOM 834 C TYR A 53 5.703 5.713 -2.569 1.00 0.00 C ATOM 835 O TYR A 53 4.625 6.262 -2.684 1.00 0.00 O ATOM 836 CB TYR A 53 5.714 3.799 -0.972 1.00 0.00 C ATOM 837 CG TYR A 53 6.435 3.200 0.211 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.903 3.339 1.498 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.634 2.502 0.022 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.569 2.781 2.596 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.300 1.943 1.120 1.00 0.00 C ATOM 842 CZ TYR A 53 7.769 2.083 2.406 1.00 0.00 C ATOM 843 OH TYR A 53 8.425 1.533 3.488 1.00 0.00 O ATOM 0 H TYR A 53 4.633 6.206 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 53 7.290 5.260 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.639 3.795 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.892 3.195 -1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.978 3.877 1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.045 2.395 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.158 2.889 3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.224 1.404 0.973 1.00 0.00 H new ATOM 0 HH TYR A 53 9.240 1.083 3.182 1.00 0.00 H new ATOM 853 N CYS A 54 6.481 5.504 -3.604 1.00 0.00 N ATOM 854 CA CYS A 54 6.069 5.938 -4.978 1.00 0.00 C ATOM 855 C CYS A 54 5.914 4.704 -5.867 1.00 0.00 C ATOM 856 O CYS A 54 6.815 3.898 -5.989 1.00 0.00 O ATOM 857 CB CYS A 54 7.143 6.859 -5.564 1.00 0.00 C ATOM 858 SG CYS A 54 8.626 5.895 -5.948 1.00 0.00 S ATOM 0 H CYS A 54 7.392 5.047 -3.556 1.00 0.00 H new ATOM 0 HA CYS A 54 5.122 6.474 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.768 7.343 -6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.385 7.650 -4.854 1.00 0.00 H new ATOM 0 HG CYS A 54 9.149 5.445 -4.846 1.00 0.00 H new ATOM 864 N LEU A 55 4.774 4.543 -6.485 1.00 0.00 N ATOM 865 CA LEU A 55 4.561 3.352 -7.363 1.00 0.00 C ATOM 866 C LEU A 55 4.998 3.683 -8.791 1.00 0.00 C ATOM 867 O LEU A 55 4.892 4.808 -9.238 1.00 0.00 O ATOM 868 CB LEU A 55 3.073 2.971 -7.352 1.00 0.00 C ATOM 869 CG LEU A 55 2.198 4.180 -7.792 1.00 0.00 C ATOM 870 CD1 LEU A 55 1.814 4.058 -9.274 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.912 4.228 -6.955 1.00 0.00 C ATOM 0 H LEU A 55 3.982 5.182 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 55 5.152 2.515 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.902 2.128 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.782 2.648 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 55 2.778 5.091 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.202 4.913 -9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.718 4.036 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.249 3.139 -9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.305 5.077 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.349 3.306 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.168 4.335 -5.901 1.00 0.00 H new ATOM 883 N ASN A 56 5.495 2.708 -9.507 1.00 0.00 N ATOM 884 CA ASN A 56 5.946 2.949 -10.909 1.00 0.00 C ATOM 885 C ASN A 56 7.094 3.963 -10.921 1.00 0.00 C ATOM 886 O ASN A 56 7.413 4.540 -11.941 1.00 0.00 O ATOM 887 CB ASN A 56 4.776 3.480 -11.747 1.00 0.00 C ATOM 888 CG ASN A 56 5.089 3.310 -13.235 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.055 2.666 -13.595 1.00 0.00 O ATOM 890 ND2 ASN A 56 4.308 3.863 -14.122 1.00 0.00 N ATOM 0 H ASN A 56 5.608 1.749 -9.178 1.00 0.00 H new ATOM 0 HA ASN A 56 6.296 2.009 -11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.862 2.943 -11.494 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.601 4.532 -11.520 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.508 3.755 -15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.497 4.404 -13.821 1.00 0.00 H new ATOM 897 N ASN A 57 7.721 4.178 -9.796 1.00 0.00 N ATOM 898 CA ASN A 57 8.856 5.146 -9.742 1.00 0.00 C ATOM 899 C ASN A 57 8.394 6.524 -10.226 1.00 0.00 C ATOM 900 O ASN A 57 9.094 7.200 -10.954 1.00 0.00 O ATOM 901 CB ASN A 57 9.994 4.648 -10.637 1.00 0.00 C ATOM 902 CG ASN A 57 11.275 5.418 -10.312 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.366 6.063 -9.286 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.277 5.375 -11.147 1.00 0.00 N ATOM 0 H ASN A 57 7.496 3.725 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 57 9.206 5.228 -8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.150 3.580 -10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.732 4.784 -11.686 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.137 5.883 -10.939 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.200 4.834 -12.008 1.00 0.00 H new ATOM 911 N ASN A 58 7.222 6.947 -9.820 1.00 0.00 N ATOM 912 CA ASN A 58 6.698 8.286 -10.241 1.00 0.00 C ATOM 913 C ASN A 58 6.227 9.049 -8.993 1.00 0.00 C ATOM 914 O ASN A 58 5.091 8.918 -8.580 1.00 0.00 O ATOM 915 CB ASN A 58 5.509 8.081 -11.185 1.00 0.00 C ATOM 916 CG ASN A 58 5.882 7.061 -12.262 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.047 6.809 -12.497 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.936 6.463 -12.932 1.00 0.00 N ATOM 0 H ASN A 58 6.600 6.418 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 58 7.479 8.852 -10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.642 7.733 -10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.230 9.028 -11.647 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.174 5.783 -13.654 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.958 6.675 -12.734 1.00 0.00 H new ATOM 925 N PRO A 59 7.088 9.834 -8.380 1.00 0.00 N ATOM 926 CA PRO A 59 6.733 10.609 -7.151 1.00 0.00 C ATOM 927 C PRO A 59 5.371 11.304 -7.267 1.00 0.00 C ATOM 928 O PRO A 59 4.843 11.818 -6.301 1.00 0.00 O ATOM 929 CB PRO A 59 7.868 11.631 -7.038 1.00 0.00 C ATOM 930 CG PRO A 59 9.047 10.946 -7.645 1.00 0.00 C ATOM 931 CD PRO A 59 8.491 10.077 -8.779 1.00 0.00 C ATOM 0 HA PRO A 59 6.637 9.968 -6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.627 12.552 -7.568 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.057 11.901 -5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.767 11.671 -8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.568 10.337 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.551 10.587 -9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.046 9.144 -8.878 1.00 0.00 H new ATOM 939 N THR A 60 4.797 11.316 -8.437 1.00 0.00 N ATOM 940 CA THR A 60 3.469 11.967 -8.608 1.00 0.00 C ATOM 941 C THR A 60 2.382 11.037 -8.064 1.00 0.00 C ATOM 942 O THR A 60 1.454 11.464 -7.407 1.00 0.00 O ATOM 943 CB THR A 60 3.219 12.231 -10.096 1.00 0.00 C ATOM 944 OG1 THR A 60 1.819 12.282 -10.338 1.00 0.00 O ATOM 945 CG2 THR A 60 3.842 11.107 -10.925 1.00 0.00 C ATOM 0 H THR A 60 5.190 10.903 -9.283 1.00 0.00 H new ATOM 0 HA THR A 60 3.449 12.912 -8.065 1.00 0.00 H new ATOM 0 HB THR A 60 3.671 13.182 -10.379 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.657 12.452 -11.289 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.664 11.294 -11.984 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.915 11.069 -10.738 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.391 10.155 -10.644 1.00 0.00 H new ATOM 953 N GLN A 61 2.498 9.762 -8.332 1.00 0.00 N ATOM 954 CA GLN A 61 1.485 8.783 -7.833 1.00 0.00 C ATOM 955 C GLN A 61 1.969 8.190 -6.511 1.00 0.00 C ATOM 956 O GLN A 61 2.206 7.004 -6.405 1.00 0.00 O ATOM 957 CB GLN A 61 1.314 7.657 -8.855 1.00 0.00 C ATOM 958 CG GLN A 61 0.883 8.243 -10.200 1.00 0.00 C ATOM 959 CD GLN A 61 -0.559 8.744 -10.101 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.807 9.822 -9.602 1.00 0.00 O ATOM 961 NE2 GLN A 61 -1.528 7.999 -10.560 1.00 0.00 N ATOM 0 H GLN A 61 3.256 9.354 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 61 0.531 9.290 -7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.250 7.111 -8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.569 6.943 -8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.545 9.062 -10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.963 7.487 -10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.320 7.093 -10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.493 8.323 -10.499 1.00 0.00 H new ATOM 970 N THR A 62 2.128 9.003 -5.499 1.00 0.00 N ATOM 971 CA THR A 62 2.612 8.478 -4.185 1.00 0.00 C ATOM 972 C THR A 62 1.418 8.224 -3.269 1.00 0.00 C ATOM 973 O THR A 62 0.294 8.555 -3.590 1.00 0.00 O ATOM 974 CB THR A 62 3.536 9.512 -3.537 1.00 0.00 C ATOM 975 OG1 THR A 62 2.890 10.778 -3.519 1.00 0.00 O ATOM 976 CG2 THR A 62 4.835 9.612 -4.338 1.00 0.00 C ATOM 0 H THR A 62 1.944 10.006 -5.524 1.00 0.00 H new ATOM 0 HA THR A 62 3.156 7.547 -4.342 1.00 0.00 H new ATOM 0 HB THR A 62 3.764 9.206 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.480 11.440 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.492 10.349 -3.875 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.330 8.641 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.610 9.918 -5.360 1.00 0.00 H new ATOM 984 N LEU A 63 1.652 7.626 -2.132 1.00 0.00 N ATOM 985 CA LEU A 63 0.528 7.333 -1.198 1.00 0.00 C ATOM 986 C LEU A 63 1.052 7.280 0.241 1.00 0.00 C ATOM 987 O LEU A 63 2.207 6.996 0.482 1.00 0.00 O ATOM 988 CB LEU A 63 -0.117 5.993 -1.588 1.00 0.00 C ATOM 989 CG LEU A 63 0.806 4.810 -1.247 1.00 0.00 C ATOM 990 CD1 LEU A 63 0.155 3.514 -1.741 1.00 0.00 C ATOM 991 CD2 LEU A 63 2.168 4.987 -1.934 1.00 0.00 C ATOM 0 H LEU A 63 2.573 7.328 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.223 8.120 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.067 5.878 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.337 5.990 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 63 0.956 4.768 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.801 2.669 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.810 3.382 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.009 3.568 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.813 4.144 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.028 5.031 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.631 5.912 -1.591 1.00 0.00 H new ATOM 1003 N LYS A 64 0.207 7.564 1.202 1.00 0.00 N ATOM 1004 CA LYS A 64 0.644 7.543 2.633 1.00 0.00 C ATOM 1005 C LYS A 64 0.174 6.252 3.303 1.00 0.00 C ATOM 1006 O LYS A 64 -0.927 5.789 3.079 1.00 0.00 O ATOM 1007 CB LYS A 64 0.032 8.741 3.363 1.00 0.00 C ATOM 1008 CG LYS A 64 0.469 10.036 2.676 1.00 0.00 C ATOM 1009 CD LYS A 64 0.111 11.230 3.562 1.00 0.00 C ATOM 1010 CE LYS A 64 0.367 12.530 2.797 1.00 0.00 C ATOM 1011 NZ LYS A 64 -0.202 13.677 3.560 1.00 0.00 N ATOM 0 H LYS A 64 -0.772 7.811 1.056 1.00 0.00 H new ATOM 0 HA LYS A 64 1.732 7.595 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.055 8.665 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.349 8.745 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.543 10.017 2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.021 10.129 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.935 11.173 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.706 11.210 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.438 12.673 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.087 12.477 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.028 14.561 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.226 13.541 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.251 13.731 4.495 1.00 0.00 H new ATOM 1025 N ILE A 65 1.000 5.669 4.132 1.00 0.00 N ATOM 1026 CA ILE A 65 0.602 4.409 4.827 1.00 0.00 C ATOM 1027 C ILE A 65 -0.111 4.757 6.134 1.00 0.00 C ATOM 1028 O ILE A 65 0.273 5.668 6.839 1.00 0.00 O ATOM 1029 CB ILE A 65 1.846 3.573 5.146 1.00 0.00 C ATOM 1030 CG1 ILE A 65 2.900 4.446 5.834 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.429 3.002 3.854 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.099 3.582 6.235 1.00 0.00 C ATOM 0 H ILE A 65 1.934 6.011 4.358 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.062 3.838 4.178 1.00 0.00 H new ATOM 0 HB ILE A 65 1.562 2.757 5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.221 5.243 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.472 4.924 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.313 2.408 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.685 2.371 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.705 3.819 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.848 4.204 6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.771 2.801 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.532 3.125 5.345 1.00 0.00 H new ATOM 1044 N ARG A 66 -1.144 4.030 6.469 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.878 4.307 7.740 1.00 0.00 C ATOM 1046 C ARG A 66 -1.314 3.385 8.828 1.00 0.00 C ATOM 1047 O ARG A 66 -1.219 3.752 9.982 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.386 4.038 7.525 1.00 0.00 C ATOM 1049 CG ARG A 66 -4.232 5.070 8.285 1.00 0.00 C ATOM 1050 CD ARG A 66 -3.985 4.937 9.789 1.00 0.00 C ATOM 1051 NE ARG A 66 -4.113 3.508 10.191 1.00 0.00 N ATOM 1052 CZ ARG A 66 -3.916 3.159 11.434 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -3.606 4.062 12.324 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -4.031 1.909 11.786 1.00 0.00 N ATOM 0 H ARG A 66 -1.512 3.255 5.917 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.753 5.346 8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.620 4.080 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.634 3.033 7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.978 6.077 7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.289 4.919 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.991 5.308 10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.701 5.546 10.341 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.355 2.802 9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.518 5.040 12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.452 3.790 13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.275 1.204 11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.877 1.636 12.757 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.929 2.190 8.459 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.363 1.242 9.461 1.00 0.00 C ATOM 1070 C ASN A 67 0.146 -0.019 8.753 1.00 0.00 C ATOM 1071 O ASN A 67 -0.628 -0.834 8.286 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.449 0.854 10.468 1.00 0.00 C ATOM 1073 CG ASN A 67 -0.905 -0.212 11.422 1.00 0.00 C ATOM 1074 OD1 ASN A 67 0.026 0.037 12.163 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -1.450 -1.398 11.436 1.00 0.00 N ATOM 0 H ASN A 67 -0.983 1.831 7.506 1.00 0.00 H new ATOM 0 HA ASN A 67 0.465 1.723 9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.768 1.731 11.030 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.326 0.475 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.095 -2.115 12.068 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.231 -1.608 10.815 1.00 0.00 H new ATOM 1082 N ALA A 68 1.441 -0.190 8.676 1.00 0.00 N ATOM 1083 CA ALA A 68 1.997 -1.406 8.012 1.00 0.00 C ATOM 1084 C ALA A 68 1.967 -2.576 8.997 1.00 0.00 C ATOM 1085 O ALA A 68 1.969 -2.389 10.197 1.00 0.00 O ATOM 1086 CB ALA A 68 3.441 -1.149 7.582 1.00 0.00 C ATOM 0 H ALA A 68 2.136 0.459 9.044 1.00 0.00 H new ATOM 0 HA ALA A 68 1.396 -1.643 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.841 -2.040 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.469 -0.313 6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.044 -0.910 8.458 1.00 0.00 H new ATOM 1092 N THR A 69 1.941 -3.786 8.501 1.00 0.00 N ATOM 1093 CA THR A 69 1.913 -4.971 9.411 1.00 0.00 C ATOM 1094 C THR A 69 2.646 -6.139 8.748 1.00 0.00 C ATOM 1095 O THR A 69 2.680 -6.256 7.540 1.00 0.00 O ATOM 1096 CB THR A 69 0.462 -5.366 9.689 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.199 -4.293 10.346 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.430 -6.610 10.579 1.00 0.00 C ATOM 0 H THR A 69 1.938 -4.005 7.505 1.00 0.00 H new ATOM 0 HA THR A 69 2.406 -4.721 10.351 1.00 0.00 H new ATOM 0 HB THR A 69 -0.043 -5.584 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.593 -4.615 11.183 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.605 -6.890 10.776 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.938 -7.432 10.074 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.934 -6.396 11.522 1.00 0.00 H new ATOM 1106 N HIS A 70 3.239 -7.002 9.530 1.00 0.00 N ATOM 1107 CA HIS A 70 3.978 -8.159 8.947 1.00 0.00 C ATOM 1108 C HIS A 70 3.011 -9.316 8.680 1.00 0.00 C ATOM 1109 O HIS A 70 3.197 -10.414 9.167 1.00 0.00 O ATOM 1110 CB HIS A 70 5.056 -8.619 9.931 1.00 0.00 C ATOM 1111 CG HIS A 70 6.098 -7.544 10.072 1.00 0.00 C ATOM 1112 ND1 HIS A 70 7.054 -7.307 9.094 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.349 -6.635 11.070 1.00 0.00 C ATOM 1114 CE1 HIS A 70 7.829 -6.292 9.521 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.440 -5.849 10.717 1.00 0.00 N ATOM 0 H HIS A 70 3.243 -6.955 10.549 1.00 0.00 H new ATOM 0 HA HIS A 70 4.439 -7.853 8.008 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.609 -8.836 10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.516 -9.542 9.578 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.786 -6.545 11.987 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.661 -5.887 8.964 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.856 -5.092 11.259 1.00 0.00 H new ATOM 1124 N TYR A 71 1.983 -9.086 7.908 1.00 0.00 N ATOM 1125 CA TYR A 71 1.013 -10.181 7.613 1.00 0.00 C ATOM 1126 C TYR A 71 0.617 -10.874 8.921 1.00 0.00 C ATOM 1127 O TYR A 71 0.682 -12.080 9.042 1.00 0.00 O ATOM 1128 CB TYR A 71 1.667 -11.193 6.666 1.00 0.00 C ATOM 1129 CG TYR A 71 0.666 -12.260 6.283 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.328 -11.979 5.338 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.733 -13.530 6.869 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.254 -12.966 4.980 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -0.193 -14.517 6.511 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.188 -14.235 5.567 1.00 0.00 C ATOM 1135 OH TYR A 71 -2.100 -15.207 5.214 1.00 0.00 O ATOM 0 H TYR A 71 1.773 -8.189 7.469 1.00 0.00 H new ATOM 0 HA TYR A 71 0.121 -9.768 7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.031 -10.686 5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.532 -11.649 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.380 -11.000 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.500 -13.748 7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.020 -12.748 4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.140 -15.496 6.963 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.984 -14.800 5.101 1.00 0.00 H new ATOM 1145 N SER A 72 0.209 -10.117 9.903 1.00 0.00 N ATOM 1146 CA SER A 72 -0.189 -10.729 11.201 1.00 0.00 C ATOM 1147 C SER A 72 -1.613 -11.277 11.093 1.00 0.00 C ATOM 1148 O SER A 72 -2.453 -10.719 10.415 1.00 0.00 O ATOM 1149 CB SER A 72 -0.134 -9.670 12.303 1.00 0.00 C ATOM 1150 OG SER A 72 1.148 -9.055 12.299 1.00 0.00 O ATOM 0 H SER A 72 0.134 -9.101 9.862 1.00 0.00 H new ATOM 0 HA SER A 72 0.496 -11.542 11.443 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.910 -8.921 12.143 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.328 -10.128 13.273 1.00 0.00 H new ATOM 0 HG SER A 72 1.186 -8.374 13.003 1.00 0.00 H new ATOM 1156 N SER A 73 -1.891 -12.366 11.755 1.00 0.00 N ATOM 1157 CA SER A 73 -3.261 -12.949 11.690 1.00 0.00 C ATOM 1158 C SER A 73 -4.284 -11.898 12.125 1.00 0.00 C ATOM 1159 O SER A 73 -5.476 -12.087 11.991 1.00 0.00 O ATOM 1160 CB SER A 73 -3.344 -14.157 12.623 1.00 0.00 C ATOM 1161 OG SER A 73 -2.462 -15.170 12.159 1.00 0.00 O ATOM 0 H SER A 73 -1.229 -12.878 12.338 1.00 0.00 H new ATOM 0 HA SER A 73 -3.475 -13.263 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.079 -13.865 13.639 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.366 -14.536 12.657 1.00 0.00 H new ATOM 0 HG SER A 73 -2.511 -15.945 12.756 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.829 -10.792 12.646 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.777 -9.731 13.092 1.00 0.00 C ATOM 1169 C GLU A 74 -5.281 -8.945 11.878 1.00 0.00 C ATOM 1170 O GLU A 74 -6.468 -8.774 11.686 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.061 -8.780 14.053 1.00 0.00 C ATOM 1172 CG GLU A 74 -5.092 -7.920 14.784 1.00 0.00 C ATOM 1173 CD GLU A 74 -4.374 -6.952 15.726 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.675 -6.083 15.232 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.535 -7.095 16.927 1.00 0.00 O ATOM 0 H GLU A 74 -2.841 -10.577 12.782 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.624 -10.194 13.599 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.471 -9.349 14.772 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.367 -8.145 13.503 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.694 -7.365 14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.775 -8.554 15.349 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.386 -8.461 11.059 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.814 -7.681 9.862 1.00 0.00 C ATOM 1184 C ARG A 75 -5.305 -8.636 8.772 1.00 0.00 C ATOM 1185 O ARG A 75 -6.212 -8.325 8.025 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.628 -6.874 9.331 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.147 -5.888 10.405 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.236 -4.844 10.707 1.00 0.00 C ATOM 1189 NE ARG A 75 -5.123 -5.349 11.792 1.00 0.00 N ATOM 1190 CZ ARG A 75 -5.994 -4.551 12.347 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.088 -3.311 11.951 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -6.772 -4.992 13.298 1.00 0.00 N ATOM 0 H ARG A 75 -3.378 -8.572 11.167 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.622 -7.006 10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.816 -7.545 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.919 -6.332 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.892 -6.430 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.239 -5.388 10.067 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.778 -3.902 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.821 -4.643 9.809 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.050 -6.318 12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.481 -2.966 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.769 -2.687 12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.700 -5.961 13.608 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.452 -4.368 13.731 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.713 -9.794 8.670 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.148 -10.761 7.624 1.00 0.00 C ATOM 1208 C TRP A 76 -6.574 -11.232 7.920 1.00 0.00 C ATOM 1209 O TRP A 76 -7.416 -11.274 7.046 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.198 -11.962 7.617 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.698 -12.996 6.658 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.119 -14.234 7.000 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -4.838 -12.902 5.210 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.508 -14.908 5.856 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.353 -14.128 4.727 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -4.569 -11.882 4.277 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -5.595 -14.336 3.368 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -4.811 -12.089 2.909 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -5.323 -13.313 2.456 1.00 0.00 C ATOM 0 H TRP A 76 -3.948 -10.112 9.265 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.127 -10.276 6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.195 -11.643 7.332 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.125 -12.386 8.618 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.147 -14.632 8.003 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.865 -15.863 5.848 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.174 -10.935 4.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.990 -15.281 3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.601 -11.300 2.202 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -5.507 -13.465 1.403 1.00 0.00 H new