USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 859 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 84 HIS :FLIP no HE2:sc= -0.286 F(o=-0.93,f=0.34) USER MOD Set 1.2: A 88 THR OG1 : rot 175:sc= 0.622 USER MOD Set 2.1: A 75 TYR OH : rot -64:sc= -2.42! USER MOD Set 2.2: A 85 TYR OH : rot 178:sc= -3.48! USER MOD Set 3.1: A 41 GLN :FLIP amide:sc= -0.419 F(o=-6.6!,f=-0.51) USER MOD Set 3.2: A 43 CYS SG : rot 156:sc= -0.096 USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= -0.412 USER MOD Set 5.1: A 5 HIS :FLIP no HE2:sc= -12.1! C(o=-27!,f=-25!) USER MOD Set 5.2: A 86 GLN :FLIP amide:sc= -12.6! C(o=-27!,f=-25!) USER MOD Single : A 1 GLU N :NH3+ -125:sc= 0.094 (180deg=-0.379) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.87 F(o=-2.2!,f=-0.87) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.47 (180deg=-1.23) USER MOD Single : A 10 THR OG1 : rot 38:sc= -4.96! USER MOD Single : A 12 ASN : amide:sc= -0.849 X(o=-0.85,f=-0.79!) USER MOD Single : A 17 ASN : amide:sc= -8.81! C(o=-8.8!,f=-25!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.116 F(o=-1.9!,f=-0.12) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0148 (180deg=-0.349) USER MOD Single : A 23 ASN : amide:sc= -0.0671 K(o=-0.067,f=-2.3!) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0756) USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.00404 USER MOD Single : A 38 SER OG : rot 61:sc= -1.35 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -130:sc= -4.29! USER MOD Single : A 47 SER OG : rot 21:sc= -3.95! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.559 USER MOD Single : A 60 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.804 F(o=-2.9,f=-0.8) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= 0.0816 K(o=0.082,f=-0.43) USER MOD Single : A 89 SER OG : rot 180:sc= -1.55! USER MOD Single : A 92 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.2!) USER MOD Single : A 93 HIS : no HD1:sc= -6.62! C(o=-6.6!,f=-12!) USER MOD Single : A 94 ASN :FLIP amide:sc= -2.21! C(o=-3.1!,f=-2.2!) USER MOD Single : A 96 SER OG : rot 180:sc=-0.00473 USER MOD Single : A 98 ASN : amide:sc= -0.662 K(o=-0.66,f=-4.7!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.0984 X(o=-0.098,f=-0.091) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 95.667 -4.493 -19.264 1.00 0.00 N ATOM 2 CA GLU A 1 94.456 -5.326 -19.020 1.00 0.00 C ATOM 3 C GLU A 1 93.370 -4.466 -18.374 1.00 0.00 C ATOM 4 O GLU A 1 93.541 -3.280 -18.171 1.00 0.00 O ATOM 5 CB GLU A 1 94.811 -6.501 -18.101 1.00 0.00 C ATOM 6 CG GLU A 1 95.761 -7.446 -18.838 1.00 0.00 C ATOM 7 CD GLU A 1 96.094 -8.640 -17.943 1.00 0.00 C ATOM 8 OE1 GLU A 1 95.646 -8.646 -16.807 1.00 0.00 O ATOM 9 OE2 GLU A 1 96.788 -9.526 -18.408 1.00 0.00 O ATOM 0 H1 GLU A 1 95.932 -4.552 -20.268 1.00 0.00 H new ATOM 0 H2 GLU A 1 95.463 -3.504 -19.017 1.00 0.00 H new ATOM 0 H3 GLU A 1 96.452 -4.842 -18.678 1.00 0.00 H new ATOM 0 HA GLU A 1 94.087 -5.719 -19.968 1.00 0.00 H new ATOM 0 HB2 GLU A 1 95.279 -6.135 -17.187 1.00 0.00 H new ATOM 0 HB3 GLU A 1 93.907 -7.033 -17.805 1.00 0.00 H new ATOM 0 HG2 GLU A 1 95.301 -7.790 -19.764 1.00 0.00 H new ATOM 0 HG3 GLU A 1 96.675 -6.918 -19.112 1.00 0.00 H new ATOM 18 N ASP A 2 92.250 -5.049 -18.057 1.00 0.00 N ATOM 19 CA ASP A 2 91.158 -4.253 -17.435 1.00 0.00 C ATOM 20 C ASP A 2 91.573 -3.829 -16.022 1.00 0.00 C ATOM 21 O ASP A 2 92.282 -4.537 -15.331 1.00 0.00 O ATOM 22 CB ASP A 2 89.881 -5.097 -17.385 1.00 0.00 C ATOM 23 CG ASP A 2 89.302 -5.246 -18.798 1.00 0.00 C ATOM 24 OD1 ASP A 2 89.515 -4.353 -19.604 1.00 0.00 O ATOM 25 OD2 ASP A 2 88.649 -6.246 -19.047 1.00 0.00 O ATOM 0 H ASP A 2 92.044 -6.038 -18.201 1.00 0.00 H new ATOM 0 HA ASP A 2 90.969 -3.358 -18.028 1.00 0.00 H new ATOM 0 HB2 ASP A 2 90.099 -6.079 -16.966 1.00 0.00 H new ATOM 0 HB3 ASP A 2 89.148 -4.626 -16.729 1.00 0.00 H new ATOM 30 N LEU A 3 91.149 -2.672 -15.589 1.00 0.00 N ATOM 31 CA LEU A 3 91.533 -2.200 -14.234 1.00 0.00 C ATOM 32 C LEU A 3 90.492 -2.712 -13.231 1.00 0.00 C ATOM 33 O LEU A 3 89.310 -2.492 -13.398 1.00 0.00 O ATOM 34 CB LEU A 3 91.539 -0.664 -14.229 1.00 0.00 C ATOM 35 CG LEU A 3 92.385 -0.132 -13.071 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.856 -0.469 -13.320 1.00 0.00 C ATOM 37 CD2 LEU A 3 92.231 1.389 -12.992 1.00 0.00 C ATOM 0 H LEU A 3 90.553 -2.035 -16.118 1.00 0.00 H new ATOM 0 HA LEU A 3 92.522 -2.569 -13.964 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.934 -0.294 -15.175 1.00 0.00 H new ATOM 0 HB3 LEU A 3 90.518 -0.291 -14.142 1.00 0.00 H new ATOM 0 HG LEU A 3 92.054 -0.589 -12.138 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.461 -0.091 -12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 3 93.975 -1.550 -13.391 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.183 -0.007 -14.251 1.00 0.00 H new ATOM 0 HD21 LEU A 3 92.832 1.773 -12.168 1.00 0.00 H new ATOM 0 HD22 LEU A 3 92.567 1.838 -13.927 1.00 0.00 H new ATOM 0 HD23 LEU A 3 91.184 1.640 -12.825 1.00 0.00 H new ATOM 49 N PRO A 4 90.917 -3.390 -12.198 1.00 0.00 N ATOM 50 CA PRO A 4 89.985 -3.930 -11.172 1.00 0.00 C ATOM 51 C PRO A 4 89.005 -2.865 -10.666 1.00 0.00 C ATOM 52 O PRO A 4 87.953 -3.173 -10.138 1.00 0.00 O ATOM 53 CB PRO A 4 90.909 -4.393 -10.040 1.00 0.00 C ATOM 54 CG PRO A 4 92.243 -4.624 -10.672 1.00 0.00 C ATOM 55 CD PRO A 4 92.319 -3.724 -11.900 1.00 0.00 C ATOM 0 HA PRO A 4 89.361 -4.729 -11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.973 -3.640 -9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.533 -5.305 -9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 4 93.046 -4.390 -9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.360 -5.671 -10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.907 -2.828 -11.700 1.00 0.00 H new ATOM 0 HD3 PRO A 4 92.792 -4.235 -12.738 1.00 0.00 H new ATOM 63 N HIS A 5 89.344 -1.614 -10.832 1.00 0.00 N ATOM 64 CA HIS A 5 88.446 -0.516 -10.371 1.00 0.00 C ATOM 65 C HIS A 5 87.220 -0.436 -11.275 1.00 0.00 C ATOM 66 O HIS A 5 86.146 -0.065 -10.847 1.00 0.00 O ATOM 67 CB HIS A 5 89.218 0.799 -10.408 1.00 0.00 C ATOM 68 CG HIS A 5 90.368 0.685 -9.453 1.00 0.00 C ATOM 69 ND1 HIS A 5 91.675 1.092 -9.524 1.00 0.00 N flip ATOM 70 CD2 HIS A 5 90.238 0.036 -8.236 1.00 0.00 C flip ATOM 71 CE1 HIS A 5 92.350 0.699 -8.370 1.00 0.00 C flip ATOM 72 NE2 HIS A 5 91.434 0.065 -7.631 1.00 0.00 N flip ATOM 0 H HIS A 5 90.211 -1.304 -11.271 1.00 0.00 H new ATOM 0 HA HIS A 5 88.111 -0.712 -9.352 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.578 1.002 -11.417 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.570 1.630 -10.128 1.00 0.00 H new ATOM 0 HD1 HIS A 5 92.090 1.604 -10.302 1.00 0.00 H new ATOM 0 HD2 HIS A 5 89.336 -0.412 -7.845 1.00 0.00 H new ATOM 0 HE1 HIS A 5 93.388 0.870 -8.126 1.00 0.00 H new ATOM 80 N HIS A 6 87.362 -0.803 -12.519 1.00 0.00 N ATOM 81 CA HIS A 6 86.196 -0.771 -13.436 1.00 0.00 C ATOM 82 C HIS A 6 85.216 -1.840 -12.962 1.00 0.00 C ATOM 83 O HIS A 6 84.031 -1.789 -13.232 1.00 0.00 O ATOM 84 CB HIS A 6 86.664 -1.066 -14.858 1.00 0.00 C ATOM 85 CG HIS A 6 87.511 0.082 -15.338 1.00 0.00 C ATOM 86 ND1 HIS A 6 88.794 0.136 -15.819 1.00 0.00 N flip ATOM 87 CD2 HIS A 6 87.051 1.390 -15.336 1.00 0.00 C flip ATOM 88 CE1 HIS A 6 89.131 1.456 -16.108 1.00 0.00 C flip ATOM 89 NE2 HIS A 6 88.044 2.170 -15.798 1.00 0.00 N flip ATOM 0 H HIS A 6 88.236 -1.123 -12.937 1.00 0.00 H new ATOM 0 HA HIS A 6 85.715 0.207 -13.433 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.236 -1.993 -14.882 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.806 -1.204 -15.517 1.00 0.00 H new ATOM 0 HD2 HIS A 6 86.073 1.722 -15.021 1.00 0.00 H new ATOM 0 HE1 HIS A 6 90.068 1.824 -16.498 1.00 0.00 H new ATOM 0 HE2 HIS A 6 87.976 3.183 -15.900 1.00 0.00 H new ATOM 97 N ASP A 7 85.717 -2.801 -12.226 1.00 0.00 N ATOM 98 CA ASP A 7 84.849 -3.875 -11.686 1.00 0.00 C ATOM 99 C ASP A 7 84.454 -3.494 -10.262 1.00 0.00 C ATOM 100 O ASP A 7 85.280 -3.417 -9.375 1.00 0.00 O ATOM 101 CB ASP A 7 85.615 -5.202 -11.679 1.00 0.00 C ATOM 102 CG ASP A 7 85.866 -5.636 -13.120 1.00 0.00 C ATOM 103 OD1 ASP A 7 85.374 -4.963 -14.009 1.00 0.00 O ATOM 104 OD2 ASP A 7 86.541 -6.634 -13.311 1.00 0.00 O ATOM 0 H ASP A 7 86.703 -2.882 -11.977 1.00 0.00 H new ATOM 0 HA ASP A 7 83.959 -3.991 -12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.561 -5.088 -11.149 1.00 0.00 H new ATOM 0 HB3 ASP A 7 85.043 -5.964 -11.150 1.00 0.00 H new ATOM 109 N GLU A 8 83.202 -3.228 -10.047 1.00 0.00 N ATOM 110 CA GLU A 8 82.740 -2.817 -8.697 1.00 0.00 C ATOM 111 C GLU A 8 82.803 -4.000 -7.714 1.00 0.00 C ATOM 112 O GLU A 8 83.024 -3.822 -6.533 1.00 0.00 O ATOM 113 CB GLU A 8 81.299 -2.328 -8.811 1.00 0.00 C ATOM 114 CG GLU A 8 80.910 -1.617 -7.520 1.00 0.00 C ATOM 115 CD GLU A 8 79.384 -1.579 -7.379 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.714 -2.071 -8.271 1.00 0.00 O ATOM 117 OE2 GLU A 8 78.913 -1.061 -6.380 1.00 0.00 O ATOM 0 H GLU A 8 82.470 -3.278 -10.756 1.00 0.00 H new ATOM 0 HA GLU A 8 83.387 -2.025 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.198 -1.650 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.630 -3.169 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.349 -2.132 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.308 -0.602 -7.520 1.00 0.00 H new ATOM 124 N LYS A 9 82.578 -5.200 -8.178 1.00 0.00 N ATOM 125 CA LYS A 9 82.592 -6.369 -7.250 1.00 0.00 C ATOM 126 C LYS A 9 84.019 -6.679 -6.780 1.00 0.00 C ATOM 127 O LYS A 9 84.220 -7.404 -5.825 1.00 0.00 O ATOM 128 CB LYS A 9 81.974 -7.582 -7.961 1.00 0.00 C ATOM 129 CG LYS A 9 83.024 -8.336 -8.781 1.00 0.00 C ATOM 130 CD LYS A 9 83.627 -7.403 -9.828 1.00 0.00 C ATOM 131 CE LYS A 9 82.562 -7.019 -10.857 1.00 0.00 C ATOM 132 NZ LYS A 9 81.688 -8.198 -11.142 1.00 0.00 N ATOM 0 H LYS A 9 82.386 -5.421 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 9 82.002 -6.132 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 9 81.533 -8.253 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.167 -7.252 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.807 -8.717 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 9 82.569 -9.199 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 9 84.020 -6.507 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 9 84.465 -7.892 -10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 9 81.961 -6.191 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 9 83.037 -6.676 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 81.152 -8.029 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 82.277 -9.047 -11.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 81.026 -8.339 -10.352 1.00 0.00 H new ATOM 146 N THR A 10 85.012 -6.122 -7.412 1.00 0.00 N ATOM 147 CA THR A 10 86.404 -6.383 -6.959 1.00 0.00 C ATOM 148 C THR A 10 86.567 -5.838 -5.533 1.00 0.00 C ATOM 149 O THR A 10 87.228 -6.429 -4.698 1.00 0.00 O ATOM 150 CB THR A 10 87.390 -5.717 -7.926 1.00 0.00 C ATOM 151 OG1 THR A 10 86.926 -4.419 -8.270 1.00 0.00 O ATOM 152 CG2 THR A 10 87.513 -6.573 -9.190 1.00 0.00 C ATOM 0 H THR A 10 84.921 -5.502 -8.217 1.00 0.00 H new ATOM 0 HA THR A 10 86.611 -7.453 -6.952 1.00 0.00 H new ATOM 0 HB THR A 10 88.365 -5.630 -7.447 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.514 -4.000 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.213 -6.103 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.877 -7.565 -8.923 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.537 -6.660 -9.667 1.00 0.00 H new ATOM 160 N TRP A 11 85.959 -4.722 -5.240 1.00 0.00 N ATOM 161 CA TRP A 11 86.068 -4.162 -3.863 1.00 0.00 C ATOM 162 C TRP A 11 84.683 -4.113 -3.203 1.00 0.00 C ATOM 163 O TRP A 11 84.563 -4.176 -1.998 1.00 0.00 O ATOM 164 CB TRP A 11 86.646 -2.750 -3.935 1.00 0.00 C ATOM 165 CG TRP A 11 86.339 -2.196 -5.282 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.891 -2.634 -6.432 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.414 -1.131 -5.645 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.358 -1.917 -7.488 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.447 -0.969 -7.050 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.555 -0.300 -4.901 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.662 -0.010 -7.692 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.764 0.663 -5.545 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.817 0.808 -6.936 1.00 0.00 C ATOM 0 H TRP A 11 85.394 -4.176 -5.890 1.00 0.00 H new ATOM 0 HA TRP A 11 86.723 -4.799 -3.269 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.214 -2.121 -3.157 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.723 -2.770 -3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.630 -3.418 -6.515 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.605 -2.067 -8.466 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.505 -0.405 -3.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.707 0.099 -8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.110 1.296 -4.964 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.205 1.552 -7.425 1.00 0.00 H new ATOM 184 N ASN A 12 83.635 -3.994 -3.978 1.00 0.00 N ATOM 185 CA ASN A 12 82.270 -3.925 -3.376 1.00 0.00 C ATOM 186 C ASN A 12 81.710 -5.332 -3.159 1.00 0.00 C ATOM 187 O ASN A 12 81.534 -6.097 -4.087 1.00 0.00 O ATOM 188 CB ASN A 12 81.340 -3.141 -4.303 1.00 0.00 C ATOM 189 CG ASN A 12 80.052 -2.792 -3.559 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.046 -2.688 -2.348 1.00 0.00 O ATOM 191 ND2 ASN A 12 78.955 -2.594 -4.234 1.00 0.00 N ATOM 0 H ASN A 12 83.665 -3.942 -4.996 1.00 0.00 H new ATOM 0 HA ASN A 12 82.337 -3.421 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.833 -2.231 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.111 -3.732 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.093 -2.352 -3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 12 78.959 -2.681 -5.250 1.00 0.00 H new ATOM 198 N VAL A 13 81.419 -5.665 -1.931 1.00 0.00 N ATOM 199 CA VAL A 13 80.850 -7.006 -1.622 1.00 0.00 C ATOM 200 C VAL A 13 79.779 -6.839 -0.540 1.00 0.00 C ATOM 201 O VAL A 13 79.577 -7.699 0.293 1.00 0.00 O ATOM 202 CB VAL A 13 81.953 -7.940 -1.121 1.00 0.00 C ATOM 203 CG1 VAL A 13 82.372 -7.529 0.290 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.430 -9.383 -1.099 1.00 0.00 C ATOM 0 H VAL A 13 81.553 -5.059 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 13 80.411 -7.440 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 13 82.813 -7.874 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.158 -8.196 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 13 82.744 -6.505 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.513 -7.593 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.215 -10.049 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 13 80.569 -9.448 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.134 -9.678 -2.106 1.00 0.00 H new ATOM 214 N GLY A 14 79.107 -5.717 -0.547 1.00 0.00 N ATOM 215 CA GLY A 14 78.048 -5.447 0.475 1.00 0.00 C ATOM 216 C GLY A 14 77.249 -6.721 0.755 1.00 0.00 C ATOM 217 O GLY A 14 76.616 -6.852 1.785 1.00 0.00 O ATOM 0 H GLY A 14 79.247 -4.967 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.505 -5.085 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.381 -4.661 0.120 1.00 0.00 H new ATOM 221 N SER A 15 77.285 -7.665 -0.141 1.00 0.00 N ATOM 222 CA SER A 15 76.539 -8.934 0.086 1.00 0.00 C ATOM 223 C SER A 15 77.095 -9.608 1.337 1.00 0.00 C ATOM 224 O SER A 15 76.485 -10.490 1.909 1.00 0.00 O ATOM 225 CB SER A 15 76.741 -9.867 -1.107 1.00 0.00 C ATOM 226 OG SER A 15 78.109 -10.252 -1.175 1.00 0.00 O ATOM 0 H SER A 15 77.798 -7.614 -1.021 1.00 0.00 H new ATOM 0 HA SER A 15 75.477 -8.721 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 15 76.108 -10.748 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 15 76.446 -9.367 -2.029 1.00 0.00 H new ATOM 0 HG SER A 15 78.242 -10.852 -1.938 1.00 0.00 H new ATOM 232 N SER A 16 78.265 -9.208 1.751 1.00 0.00 N ATOM 233 CA SER A 16 78.888 -9.833 2.948 1.00 0.00 C ATOM 234 C SER A 16 78.570 -9.028 4.205 1.00 0.00 C ATOM 235 O SER A 16 78.494 -7.815 4.185 1.00 0.00 O ATOM 236 CB SER A 16 80.398 -9.865 2.764 1.00 0.00 C ATOM 237 OG SER A 16 80.727 -10.621 1.603 1.00 0.00 O ATOM 0 H SER A 16 78.817 -8.473 1.310 1.00 0.00 H new ATOM 0 HA SER A 16 78.490 -10.842 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 16 80.784 -8.850 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 16 80.871 -10.305 3.642 1.00 0.00 H new ATOM 0 HG SER A 16 81.700 -10.637 1.488 1.00 0.00 H new ATOM 243 N ASN A 17 78.403 -9.699 5.306 1.00 0.00 N ATOM 244 CA ASN A 17 78.109 -8.989 6.580 1.00 0.00 C ATOM 245 C ASN A 17 79.410 -8.425 7.158 1.00 0.00 C ATOM 246 O ASN A 17 80.493 -8.764 6.725 1.00 0.00 O ATOM 247 CB ASN A 17 77.508 -9.981 7.565 1.00 0.00 C ATOM 248 CG ASN A 17 78.551 -11.048 7.884 1.00 0.00 C ATOM 249 OD1 ASN A 17 79.694 -10.930 7.489 1.00 0.00 O ATOM 250 ND2 ASN A 17 78.209 -12.088 8.586 1.00 0.00 N ATOM 0 H ASN A 17 78.458 -10.715 5.380 1.00 0.00 H new ATOM 0 HA ASN A 17 77.409 -8.173 6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.201 -9.469 8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 17 76.615 -10.440 7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 17 78.900 -12.805 8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.249 -12.187 8.917 1.00 0.00 H new ATOM 257 N ARG A 18 79.313 -7.562 8.134 1.00 0.00 N ATOM 258 CA ARG A 18 80.548 -6.973 8.729 1.00 0.00 C ATOM 259 C ARG A 18 81.434 -8.076 9.342 1.00 0.00 C ATOM 260 O ARG A 18 82.643 -8.038 9.221 1.00 0.00 O ATOM 261 CB ARG A 18 80.161 -5.950 9.807 1.00 0.00 C ATOM 262 CG ARG A 18 79.681 -4.650 9.141 1.00 0.00 C ATOM 263 CD ARG A 18 79.309 -3.627 10.223 1.00 0.00 C ATOM 264 NE ARG A 18 78.135 -4.116 10.998 1.00 0.00 N ATOM 265 CZ ARG A 18 77.869 -3.603 12.168 1.00 0.00 C ATOM 266 NH1 ARG A 18 78.610 -2.645 12.649 1.00 0.00 N ATOM 267 NH2 ARG A 18 76.862 -4.049 12.862 1.00 0.00 N ATOM 0 H ARG A 18 78.436 -7.240 8.544 1.00 0.00 H new ATOM 0 HA ARG A 18 81.115 -6.475 7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.374 -6.357 10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.016 -5.745 10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.464 -4.247 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.819 -4.852 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 18 80.155 -3.466 10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.078 -2.666 9.764 1.00 0.00 H new ATOM 0 HE ARG A 18 77.540 -4.851 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 18 79.402 -2.293 12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 18 78.398 -2.247 13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 18 76.280 -4.800 12.491 1.00 0.00 H new ATOM 0 HH22 ARG A 18 76.655 -3.647 13.776 1.00 0.00 H new ATOM 281 N ASN A 19 80.857 -9.059 9.995 1.00 0.00 N ATOM 282 CA ASN A 19 81.697 -10.144 10.599 1.00 0.00 C ATOM 283 C ASN A 19 82.436 -10.894 9.489 1.00 0.00 C ATOM 284 O ASN A 19 83.618 -11.177 9.586 1.00 0.00 O ATOM 285 CB ASN A 19 80.795 -11.124 11.359 1.00 0.00 C ATOM 286 CG ASN A 19 80.360 -10.497 12.685 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.153 -9.649 13.274 1.00 0.00 O flip ATOM 288 ND2 ASN A 19 79.287 -10.776 13.183 1.00 0.00 N flip ATOM 0 H ASN A 19 79.851 -9.157 10.135 1.00 0.00 H new ATOM 0 HA ASN A 19 82.420 -9.704 11.286 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.920 -11.371 10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.328 -12.057 11.544 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.667 -11.441 12.720 1.00 0.00 H new ATOM 0 HD22 ASN A 19 79.006 -10.345 14.064 1.00 0.00 H new ATOM 295 N LYS A 20 81.752 -11.208 8.427 1.00 0.00 N ATOM 296 CA LYS A 20 82.416 -11.929 7.308 1.00 0.00 C ATOM 297 C LYS A 20 83.552 -11.059 6.762 1.00 0.00 C ATOM 298 O LYS A 20 84.590 -11.549 6.365 1.00 0.00 O ATOM 299 CB LYS A 20 81.406 -12.212 6.193 1.00 0.00 C ATOM 300 CG LYS A 20 82.066 -13.062 5.104 1.00 0.00 C ATOM 301 CD LYS A 20 82.102 -14.533 5.545 1.00 0.00 C ATOM 302 CE LYS A 20 82.626 -15.407 4.396 1.00 0.00 C ATOM 303 NZ LYS A 20 81.610 -15.454 3.307 1.00 0.00 N ATOM 0 H LYS A 20 80.764 -10.997 8.285 1.00 0.00 H new ATOM 0 HA LYS A 20 82.814 -12.877 7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.538 -12.732 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.046 -11.275 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.513 -12.966 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 20 83.078 -12.705 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 20 82.742 -14.644 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 20 81.104 -14.859 5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 20 83.564 -15.003 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.835 -16.414 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.798 -16.271 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 80.661 -15.544 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.661 -14.579 2.747 1.00 0.00 H new ATOM 317 N ALA A 21 83.361 -9.764 6.748 1.00 0.00 N ATOM 318 CA ALA A 21 84.428 -8.860 6.239 1.00 0.00 C ATOM 319 C ALA A 21 85.686 -9.075 7.082 1.00 0.00 C ATOM 320 O ALA A 21 86.793 -9.029 6.586 1.00 0.00 O ATOM 321 CB ALA A 21 83.971 -7.402 6.366 1.00 0.00 C ATOM 0 H ALA A 21 82.512 -9.297 7.067 1.00 0.00 H new ATOM 0 HA ALA A 21 84.635 -9.078 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.754 -6.742 5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.062 -7.253 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.772 -7.173 7.413 1.00 0.00 H new ATOM 327 N GLU A 22 85.518 -9.317 8.355 1.00 0.00 N ATOM 328 CA GLU A 22 86.700 -9.540 9.235 1.00 0.00 C ATOM 329 C GLU A 22 87.508 -10.708 8.688 1.00 0.00 C ATOM 330 O GLU A 22 88.713 -10.642 8.580 1.00 0.00 O ATOM 331 CB GLU A 22 86.226 -9.873 10.648 1.00 0.00 C ATOM 332 CG GLU A 22 85.610 -8.625 11.281 1.00 0.00 C ATOM 333 CD GLU A 22 85.001 -8.980 12.641 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.148 -10.118 13.055 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.400 -8.106 13.246 1.00 0.00 O ATOM 0 H GLU A 22 84.613 -9.370 8.823 1.00 0.00 H new ATOM 0 HA GLU A 22 87.316 -8.641 9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.493 -10.679 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.063 -10.226 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.371 -7.854 11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.843 -8.214 10.625 1.00 0.00 H new ATOM 342 N ASN A 23 86.858 -11.776 8.325 1.00 0.00 N ATOM 343 CA ASN A 23 87.602 -12.928 7.764 1.00 0.00 C ATOM 344 C ASN A 23 88.296 -12.463 6.492 1.00 0.00 C ATOM 345 O ASN A 23 89.433 -12.800 6.224 1.00 0.00 O ATOM 346 CB ASN A 23 86.633 -14.058 7.433 1.00 0.00 C ATOM 347 CG ASN A 23 86.141 -14.680 8.736 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.724 -14.461 9.780 1.00 0.00 O ATOM 349 ND2 ASN A 23 85.085 -15.445 8.729 1.00 0.00 N ATOM 0 H ASN A 23 85.848 -11.898 8.393 1.00 0.00 H new ATOM 0 HA ASN A 23 88.332 -13.294 8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.791 -13.676 6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.127 -14.811 6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.749 -15.859 9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.595 -15.630 7.854 1.00 0.00 H new ATOM 356 N LEU A 24 87.607 -11.665 5.720 1.00 0.00 N ATOM 357 CA LEU A 24 88.187 -11.128 4.462 1.00 0.00 C ATOM 358 C LEU A 24 89.314 -10.161 4.813 1.00 0.00 C ATOM 359 O LEU A 24 90.344 -10.129 4.170 1.00 0.00 O ATOM 360 CB LEU A 24 87.098 -10.381 3.679 1.00 0.00 C ATOM 361 CG LEU A 24 86.105 -11.382 3.087 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.908 -10.629 2.495 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.804 -12.180 1.986 1.00 0.00 C ATOM 0 H LEU A 24 86.653 -11.360 5.914 1.00 0.00 H new ATOM 0 HA LEU A 24 88.575 -11.944 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.578 -9.685 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.551 -9.790 2.883 1.00 0.00 H new ATOM 0 HG LEU A 24 85.752 -12.058 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.201 -11.344 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.417 -10.052 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.254 -9.955 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.105 -12.897 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.150 -11.500 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.656 -12.712 2.408 1.00 0.00 H new ATOM 375 N LEU A 25 89.128 -9.374 5.834 1.00 0.00 N ATOM 376 CA LEU A 25 90.189 -8.409 6.233 1.00 0.00 C ATOM 377 C LEU A 25 91.217 -9.137 7.096 1.00 0.00 C ATOM 378 O LEU A 25 92.318 -8.667 7.303 1.00 0.00 O ATOM 379 CB LEU A 25 89.561 -7.288 7.059 1.00 0.00 C ATOM 380 CG LEU A 25 88.679 -6.406 6.173 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.405 -6.033 6.935 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.436 -5.126 5.808 1.00 0.00 C ATOM 0 H LEU A 25 88.287 -9.357 6.410 1.00 0.00 H new ATOM 0 HA LEU A 25 90.666 -7.995 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.967 -7.712 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.343 -6.685 7.520 1.00 0.00 H new ATOM 0 HG LEU A 25 88.421 -6.951 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.775 -5.405 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.862 -6.940 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 25 87.669 -5.489 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.807 -4.499 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.693 -4.583 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.348 -5.384 5.269 1.00 0.00 H new ATOM 394 N ARG A 26 90.854 -10.281 7.603 1.00 0.00 N ATOM 395 CA ARG A 26 91.785 -11.059 8.463 1.00 0.00 C ATOM 396 C ARG A 26 92.545 -12.066 7.615 1.00 0.00 C ATOM 397 O ARG A 26 93.661 -12.445 7.912 1.00 0.00 O ATOM 398 CB ARG A 26 90.977 -11.777 9.549 1.00 0.00 C ATOM 399 CG ARG A 26 90.483 -10.755 10.578 1.00 0.00 C ATOM 400 CD ARG A 26 91.376 -10.784 11.822 1.00 0.00 C ATOM 401 NE ARG A 26 91.086 -12.011 12.613 1.00 0.00 N ATOM 402 CZ ARG A 26 91.914 -12.400 13.541 1.00 0.00 C ATOM 403 NH1 ARG A 26 92.978 -11.693 13.805 1.00 0.00 N ATOM 404 NH2 ARG A 26 91.673 -13.492 14.213 1.00 0.00 N ATOM 0 H ARG A 26 89.942 -10.714 7.456 1.00 0.00 H new ATOM 0 HA ARG A 26 92.505 -10.389 8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.130 -12.298 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.594 -12.531 10.037 1.00 0.00 H new ATOM 0 HG2 ARG A 26 90.488 -9.756 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.453 -10.976 10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 26 92.426 -10.767 11.529 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.200 -9.897 12.430 1.00 0.00 H new ATOM 0 HE ARG A 26 90.239 -12.548 12.429 1.00 0.00 H new ATOM 0 HH11 ARG A 26 93.162 -10.835 13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 26 93.626 -11.998 14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 26 90.837 -14.041 14.012 1.00 0.00 H new ATOM 0 HH22 ARG A 26 92.321 -13.797 14.940 1.00 0.00 H new ATOM 418 N GLY A 27 91.941 -12.490 6.562 1.00 0.00 N ATOM 419 CA GLY A 27 92.596 -13.468 5.658 1.00 0.00 C ATOM 420 C GLY A 27 93.281 -12.708 4.519 1.00 0.00 C ATOM 421 O GLY A 27 93.739 -13.297 3.559 1.00 0.00 O ATOM 0 H GLY A 27 91.005 -12.201 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 27 93.327 -14.060 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 27 91.859 -14.164 5.257 1.00 0.00 H new ATOM 425 N LYS A 28 93.347 -11.401 4.617 1.00 0.00 N ATOM 426 CA LYS A 28 93.995 -10.593 3.538 1.00 0.00 C ATOM 427 C LYS A 28 95.108 -9.729 4.129 1.00 0.00 C ATOM 428 O LYS A 28 95.018 -9.253 5.243 1.00 0.00 O ATOM 429 CB LYS A 28 92.954 -9.697 2.863 1.00 0.00 C ATOM 430 CG LYS A 28 91.992 -10.569 2.061 1.00 0.00 C ATOM 431 CD LYS A 28 92.743 -11.177 0.874 1.00 0.00 C ATOM 432 CE LYS A 28 91.793 -11.322 -0.314 1.00 0.00 C ATOM 433 NZ LYS A 28 90.725 -12.304 0.025 1.00 0.00 N ATOM 0 H LYS A 28 92.979 -10.860 5.399 1.00 0.00 H new ATOM 0 HA LYS A 28 94.422 -11.270 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.407 -9.125 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.445 -8.977 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.584 -11.358 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.149 -9.974 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.587 -10.544 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.150 -12.150 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.350 -10.357 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.342 -11.655 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.169 -12.520 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 91.159 -13.178 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.101 -11.901 0.753 1.00 0.00 H new ATOM 447 N ARG A 29 96.155 -9.531 3.376 1.00 0.00 N ATOM 448 CA ARG A 29 97.302 -8.703 3.856 1.00 0.00 C ATOM 449 C ARG A 29 96.958 -7.212 3.754 1.00 0.00 C ATOM 450 O ARG A 29 96.012 -6.824 3.097 1.00 0.00 O ATOM 451 CB ARG A 29 98.535 -8.988 2.990 1.00 0.00 C ATOM 452 CG ARG A 29 99.054 -10.400 3.266 1.00 0.00 C ATOM 453 CD ARG A 29 100.287 -10.672 2.391 1.00 0.00 C ATOM 454 NE ARG A 29 100.822 -12.034 2.680 1.00 0.00 N ATOM 455 CZ ARG A 29 101.662 -12.598 1.852 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.017 -11.980 0.760 1.00 0.00 N ATOM 457 NH2 ARG A 29 102.144 -13.782 2.120 1.00 0.00 N ATOM 0 H ARG A 29 96.267 -9.912 2.436 1.00 0.00 H new ATOM 0 HA ARG A 29 97.507 -8.956 4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.280 -8.885 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.315 -8.257 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 29 99.312 -10.505 4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.276 -11.133 3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.021 -10.592 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.054 -9.922 2.584 1.00 0.00 H new ATOM 0 HE ARG A 29 100.532 -12.526 3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.639 -11.056 0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 29 102.672 -12.421 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 29 101.865 -14.265 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 29 102.799 -14.224 1.475 1.00 0.00 H new ATOM 471 N ASP A 30 97.727 -6.374 4.395 1.00 0.00 N ATOM 472 CA ASP A 30 97.454 -4.910 4.337 1.00 0.00 C ATOM 473 C ASP A 30 97.351 -4.457 2.879 1.00 0.00 C ATOM 474 O ASP A 30 97.846 -5.101 1.976 1.00 0.00 O ATOM 475 CB ASP A 30 98.599 -4.151 5.011 1.00 0.00 C ATOM 476 CG ASP A 30 99.900 -4.356 4.224 1.00 0.00 C ATOM 477 OD1 ASP A 30 100.160 -5.478 3.822 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.615 -3.383 4.042 1.00 0.00 O ATOM 0 H ASP A 30 98.535 -6.641 4.958 1.00 0.00 H new ATOM 0 HA ASP A 30 96.515 -4.703 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.360 -3.089 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.725 -4.501 6.035 1.00 0.00 H new ATOM 483 N GLY A 31 96.716 -3.343 2.647 1.00 0.00 N ATOM 484 CA GLY A 31 96.586 -2.833 1.254 1.00 0.00 C ATOM 485 C GLY A 31 95.303 -3.366 0.619 1.00 0.00 C ATOM 486 O GLY A 31 94.670 -2.694 -0.170 1.00 0.00 O ATOM 0 H GLY A 31 96.280 -2.762 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.574 -1.743 1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.449 -3.141 0.663 1.00 0.00 H new ATOM 490 N THR A 32 94.911 -4.565 0.962 1.00 0.00 N ATOM 491 CA THR A 32 93.662 -5.137 0.387 1.00 0.00 C ATOM 492 C THR A 32 92.473 -4.502 1.098 1.00 0.00 C ATOM 493 O THR A 32 92.394 -4.511 2.311 1.00 0.00 O ATOM 494 CB THR A 32 93.646 -6.653 0.607 1.00 0.00 C ATOM 495 OG1 THR A 32 94.851 -7.215 0.109 1.00 0.00 O ATOM 496 CG2 THR A 32 92.452 -7.267 -0.128 1.00 0.00 C ATOM 0 H THR A 32 95.404 -5.172 1.617 1.00 0.00 H new ATOM 0 HA THR A 32 93.610 -4.934 -0.683 1.00 0.00 H new ATOM 0 HB THR A 32 93.560 -6.864 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.520 -7.241 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.443 -8.345 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.527 -6.836 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.534 -7.057 -1.194 1.00 0.00 H new ATOM 504 N PHE A 33 91.555 -3.926 0.369 1.00 0.00 N ATOM 505 CA PHE A 33 90.399 -3.277 1.042 1.00 0.00 C ATOM 506 C PHE A 33 89.097 -3.636 0.323 1.00 0.00 C ATOM 507 O PHE A 33 89.102 -4.219 -0.743 1.00 0.00 O ATOM 508 CB PHE A 33 90.614 -1.758 1.045 1.00 0.00 C ATOM 509 CG PHE A 33 89.812 -1.095 -0.044 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.355 -0.897 -1.318 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.523 -0.655 0.237 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.592 -0.257 -2.305 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.771 -0.021 -0.749 1.00 0.00 C ATOM 514 CZ PHE A 33 88.301 0.178 -2.015 1.00 0.00 C ATOM 0 H PHE A 33 91.556 -3.878 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 33 90.325 -3.633 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.326 -1.349 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.672 -1.537 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.356 -1.235 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.105 -0.805 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 33 90.005 -0.101 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.770 0.317 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.713 0.670 -2.776 1.00 0.00 H new ATOM 524 N LEU A 34 87.977 -3.296 0.903 1.00 0.00 N ATOM 525 CA LEU A 34 86.675 -3.631 0.249 1.00 0.00 C ATOM 526 C LEU A 34 85.605 -2.589 0.590 1.00 0.00 C ATOM 527 O LEU A 34 85.755 -1.793 1.497 1.00 0.00 O ATOM 528 CB LEU A 34 86.196 -5.006 0.725 1.00 0.00 C ATOM 529 CG LEU A 34 85.797 -4.933 2.202 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.300 -5.190 2.340 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.560 -5.993 3.005 1.00 0.00 C ATOM 0 H LEU A 34 87.905 -2.805 1.794 1.00 0.00 H new ATOM 0 HA LEU A 34 86.831 -3.638 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.347 -5.333 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.986 -5.744 0.588 1.00 0.00 H new ATOM 0 HG LEU A 34 86.041 -3.942 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.017 -5.138 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.748 -4.437 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.063 -6.180 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.270 -5.933 4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.322 -6.984 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.632 -5.816 2.914 1.00 0.00 H new ATOM 543 N VAL A 35 84.517 -2.607 -0.139 1.00 0.00 N ATOM 544 CA VAL A 35 83.404 -1.645 0.115 1.00 0.00 C ATOM 545 C VAL A 35 82.132 -2.434 0.441 1.00 0.00 C ATOM 546 O VAL A 35 81.667 -3.239 -0.341 1.00 0.00 O ATOM 547 CB VAL A 35 83.183 -0.774 -1.135 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.951 0.120 -0.959 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.403 0.115 -1.336 1.00 0.00 C ATOM 0 H VAL A 35 84.352 -3.256 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 35 83.653 -0.997 0.955 1.00 0.00 H new ATOM 0 HB VAL A 35 83.031 -1.425 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.812 0.728 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.070 -0.502 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.094 0.771 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.258 0.737 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.537 0.752 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.288 -0.507 -1.471 1.00 0.00 H new ATOM 559 N ARG A 36 81.566 -2.201 1.599 1.00 0.00 N ATOM 560 CA ARG A 36 80.320 -2.927 1.998 1.00 0.00 C ATOM 561 C ARG A 36 79.329 -1.924 2.591 1.00 0.00 C ATOM 562 O ARG A 36 79.586 -0.735 2.610 1.00 0.00 O ATOM 563 CB ARG A 36 80.644 -4.023 3.031 1.00 0.00 C ATOM 564 CG ARG A 36 81.181 -3.405 4.325 1.00 0.00 C ATOM 565 CD ARG A 36 81.673 -4.526 5.241 1.00 0.00 C ATOM 566 NE ARG A 36 80.526 -5.424 5.589 1.00 0.00 N ATOM 567 CZ ARG A 36 79.447 -4.962 6.157 1.00 0.00 C ATOM 568 NH1 ARG A 36 79.407 -3.734 6.596 1.00 0.00 N ATOM 569 NH2 ARG A 36 78.418 -5.744 6.319 1.00 0.00 N ATOM 0 H ARG A 36 81.915 -1.536 2.289 1.00 0.00 H new ATOM 0 HA ARG A 36 79.882 -3.403 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.747 -4.605 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.381 -4.712 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 36 81.995 -2.714 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.400 -2.829 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 36 82.459 -5.097 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.108 -4.105 6.148 1.00 0.00 H new ATOM 0 HE ARG A 36 80.590 -6.420 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 36 80.223 -3.130 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 36 78.560 -3.378 7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 36 78.459 -6.713 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 36 77.572 -5.388 6.763 1.00 0.00 H new ATOM 583 N GLU A 37 78.197 -2.375 3.073 1.00 0.00 N ATOM 584 CA GLU A 37 77.215 -1.419 3.653 1.00 0.00 C ATOM 585 C GLU A 37 77.444 -1.344 5.156 1.00 0.00 C ATOM 586 O GLU A 37 78.229 -2.085 5.702 1.00 0.00 O ATOM 587 CB GLU A 37 75.788 -1.914 3.387 1.00 0.00 C ATOM 588 CG GLU A 37 75.549 -2.008 1.882 1.00 0.00 C ATOM 589 CD GLU A 37 74.047 -2.082 1.600 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.328 -2.604 2.436 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.643 -1.616 0.547 1.00 0.00 O ATOM 0 H GLU A 37 77.916 -3.355 3.088 1.00 0.00 H new ATOM 0 HA GLU A 37 77.344 -0.437 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.639 -2.889 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.066 -1.233 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.980 -1.141 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.048 -2.890 1.480 1.00 0.00 H new ATOM 598 N SER A 38 76.748 -0.490 5.842 1.00 0.00 N ATOM 599 CA SER A 38 76.931 -0.433 7.313 1.00 0.00 C ATOM 600 C SER A 38 76.202 -1.641 7.877 1.00 0.00 C ATOM 601 O SER A 38 76.006 -1.782 9.068 1.00 0.00 O ATOM 602 CB SER A 38 76.312 0.844 7.868 1.00 0.00 C ATOM 603 OG SER A 38 77.150 1.956 7.564 1.00 0.00 O ATOM 0 H SER A 38 76.068 0.164 5.455 1.00 0.00 H new ATOM 0 HA SER A 38 77.987 -0.438 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.321 0.995 7.440 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.183 0.758 8.947 1.00 0.00 H new ATOM 0 HG SER A 38 77.234 2.046 6.592 1.00 0.00 H new ATOM 609 N SER A 39 75.821 -2.518 6.987 1.00 0.00 N ATOM 610 CA SER A 39 75.113 -3.768 7.361 1.00 0.00 C ATOM 611 C SER A 39 73.596 -3.609 7.168 1.00 0.00 C ATOM 612 O SER A 39 73.024 -4.192 6.269 1.00 0.00 O ATOM 613 CB SER A 39 75.421 -4.146 8.812 1.00 0.00 C ATOM 614 OG SER A 39 75.144 -5.527 9.007 1.00 0.00 O ATOM 0 H SER A 39 75.979 -2.412 5.985 1.00 0.00 H new ATOM 0 HA SER A 39 75.466 -4.567 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.466 -3.937 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.820 -3.543 9.492 1.00 0.00 H new ATOM 0 HG SER A 39 75.342 -5.773 9.935 1.00 0.00 H new ATOM 620 N LYS A 40 72.924 -2.848 8.002 1.00 0.00 N ATOM 621 CA LYS A 40 71.438 -2.711 7.829 1.00 0.00 C ATOM 622 C LYS A 40 71.045 -1.302 7.342 1.00 0.00 C ATOM 623 O LYS A 40 70.237 -1.161 6.446 1.00 0.00 O ATOM 624 CB LYS A 40 70.730 -3.003 9.159 1.00 0.00 C ATOM 625 CG LYS A 40 70.852 -4.491 9.509 1.00 0.00 C ATOM 626 CD LYS A 40 69.561 -4.955 10.182 1.00 0.00 C ATOM 627 CE LYS A 40 69.656 -6.448 10.494 1.00 0.00 C ATOM 628 NZ LYS A 40 68.438 -6.876 11.229 1.00 0.00 N ATOM 0 H LYS A 40 73.328 -2.326 8.779 1.00 0.00 H new ATOM 0 HA LYS A 40 71.127 -3.431 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 40 71.168 -2.398 9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.679 -2.724 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.037 -5.075 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 40 71.701 -4.652 10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 40 69.394 -4.391 11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 40 68.709 -4.763 9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 40 69.756 -7.018 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 40 70.545 -6.650 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 68.500 -7.892 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 68.362 -6.340 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 67.598 -6.696 10.643 1.00 0.00 H new ATOM 642 N GLN A 41 71.581 -0.256 7.919 1.00 0.00 N ATOM 643 CA GLN A 41 71.182 1.116 7.461 1.00 0.00 C ATOM 644 C GLN A 41 71.729 1.380 6.051 1.00 0.00 C ATOM 645 O GLN A 41 72.630 0.711 5.585 1.00 0.00 O ATOM 646 CB GLN A 41 71.697 2.179 8.444 1.00 0.00 C ATOM 647 CG GLN A 41 73.225 2.210 8.441 1.00 0.00 C ATOM 648 CD GLN A 41 73.710 3.332 9.360 1.00 0.00 C ATOM 649 OE1 GLN A 41 73.126 4.495 9.303 1.00 0.00 O flip ATOM 650 NE2 GLN A 41 74.625 3.147 10.136 1.00 0.00 N flip ATOM 0 H GLN A 41 72.266 -0.287 8.674 1.00 0.00 H new ATOM 0 HA GLN A 41 70.094 1.174 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 41 71.306 3.158 8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 41 71.333 1.962 9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 41 73.620 1.252 8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 41 73.595 2.369 7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 41 75.081 2.236 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 41 74.938 3.903 10.745 1.00 0.00 H new ATOM 659 N GLY A 42 71.165 2.338 5.355 1.00 0.00 N ATOM 660 CA GLY A 42 71.624 2.633 3.962 1.00 0.00 C ATOM 661 C GLY A 42 72.936 3.429 3.973 1.00 0.00 C ATOM 662 O GLY A 42 73.074 4.419 3.280 1.00 0.00 O ATOM 0 H GLY A 42 70.405 2.929 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 71.765 1.700 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 42 70.856 3.198 3.434 1.00 0.00 H new ATOM 666 N CYS A 43 73.904 3.003 4.736 1.00 0.00 N ATOM 667 CA CYS A 43 75.207 3.732 4.772 1.00 0.00 C ATOM 668 C CYS A 43 76.304 2.824 4.202 1.00 0.00 C ATOM 669 O CYS A 43 76.185 1.615 4.212 1.00 0.00 O ATOM 670 CB CYS A 43 75.532 4.112 6.215 1.00 0.00 C ATOM 671 SG CYS A 43 74.290 5.287 6.804 1.00 0.00 S ATOM 0 H CYS A 43 73.851 2.181 5.337 1.00 0.00 H new ATOM 0 HA CYS A 43 75.146 4.640 4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 43 75.540 3.223 6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 43 76.527 4.554 6.274 1.00 0.00 H new ATOM 0 HG CYS A 43 74.217 5.227 8.101 1.00 0.00 H new ATOM 677 N TYR A 44 77.366 3.395 3.688 1.00 0.00 N ATOM 678 CA TYR A 44 78.459 2.557 3.102 1.00 0.00 C ATOM 679 C TYR A 44 79.750 2.717 3.902 1.00 0.00 C ATOM 680 O TYR A 44 79.985 3.731 4.529 1.00 0.00 O ATOM 681 CB TYR A 44 78.724 2.983 1.658 1.00 0.00 C ATOM 682 CG TYR A 44 77.518 2.694 0.805 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.319 1.412 0.277 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.609 3.715 0.530 1.00 0.00 C ATOM 685 CE1 TYR A 44 76.200 1.156 -0.529 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.496 3.463 -0.276 1.00 0.00 C ATOM 687 CZ TYR A 44 75.289 2.185 -0.806 1.00 0.00 C ATOM 688 OH TYR A 44 74.191 1.941 -1.608 1.00 0.00 O ATOM 0 H TYR A 44 77.523 4.402 3.649 1.00 0.00 H new ATOM 0 HA TYR A 44 78.140 1.515 3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.959 4.047 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.592 2.452 1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 44 78.025 0.623 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.765 4.702 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 44 76.040 0.168 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.795 4.256 -0.490 1.00 0.00 H new ATOM 0 HH TYR A 44 73.662 2.761 -1.697 1.00 0.00 H new ATOM 698 N ALA A 45 80.589 1.712 3.879 1.00 0.00 N ATOM 699 CA ALA A 45 81.873 1.784 4.635 1.00 0.00 C ATOM 700 C ALA A 45 82.975 1.033 3.869 1.00 0.00 C ATOM 701 O ALA A 45 82.782 -0.082 3.428 1.00 0.00 O ATOM 702 CB ALA A 45 81.672 1.139 6.007 1.00 0.00 C ATOM 0 H ALA A 45 80.438 0.843 3.367 1.00 0.00 H new ATOM 0 HA ALA A 45 82.173 2.825 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.604 1.185 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.893 1.674 6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.376 0.098 5.880 1.00 0.00 H new ATOM 708 N CYS A 46 84.144 1.616 3.723 1.00 0.00 N ATOM 709 CA CYS A 46 85.239 0.890 3.004 1.00 0.00 C ATOM 710 C CYS A 46 86.174 0.292 4.054 1.00 0.00 C ATOM 711 O CYS A 46 86.827 0.995 4.796 1.00 0.00 O ATOM 712 CB CYS A 46 86.021 1.838 2.075 1.00 0.00 C ATOM 713 SG CYS A 46 84.863 2.669 0.959 1.00 0.00 S ATOM 0 H CYS A 46 84.383 2.547 4.064 1.00 0.00 H new ATOM 0 HA CYS A 46 84.809 0.106 2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.568 2.574 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.759 1.277 1.501 1.00 0.00 H new ATOM 0 HG CYS A 46 85.288 2.563 -0.265 1.00 0.00 H new ATOM 719 N SER A 47 86.228 -1.005 4.136 1.00 0.00 N ATOM 720 CA SER A 47 87.105 -1.639 5.157 1.00 0.00 C ATOM 721 C SER A 47 88.479 -1.912 4.560 1.00 0.00 C ATOM 722 O SER A 47 88.606 -2.288 3.413 1.00 0.00 O ATOM 723 CB SER A 47 86.486 -2.948 5.637 1.00 0.00 C ATOM 724 OG SER A 47 87.301 -3.486 6.667 1.00 0.00 O ATOM 0 H SER A 47 85.706 -1.652 3.544 1.00 0.00 H new ATOM 0 HA SER A 47 87.208 -0.961 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.475 -2.775 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.407 -3.654 4.810 1.00 0.00 H new ATOM 0 HG SER A 47 87.853 -2.774 7.053 1.00 0.00 H new ATOM 730 N VAL A 48 89.511 -1.705 5.325 1.00 0.00 N ATOM 731 CA VAL A 48 90.874 -1.928 4.798 1.00 0.00 C ATOM 732 C VAL A 48 91.678 -2.788 5.779 1.00 0.00 C ATOM 733 O VAL A 48 91.406 -2.813 6.961 1.00 0.00 O ATOM 734 CB VAL A 48 91.562 -0.569 4.664 1.00 0.00 C ATOM 735 CG1 VAL A 48 92.603 -0.621 3.558 1.00 0.00 C ATOM 736 CG2 VAL A 48 90.524 0.513 4.344 1.00 0.00 C ATOM 0 H VAL A 48 89.465 -1.390 6.294 1.00 0.00 H new ATOM 0 HA VAL A 48 90.818 -2.435 3.835 1.00 0.00 H new ATOM 0 HB VAL A 48 92.053 -0.328 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.088 0.351 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 48 93.349 -1.379 3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.119 -0.872 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 48 91.022 1.478 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 48 90.023 0.270 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 48 89.789 0.561 5.147 1.00 0.00 H new ATOM 746 N VAL A 49 92.689 -3.468 5.300 1.00 0.00 N ATOM 747 CA VAL A 49 93.535 -4.295 6.212 1.00 0.00 C ATOM 748 C VAL A 49 94.820 -3.516 6.504 1.00 0.00 C ATOM 749 O VAL A 49 95.411 -2.942 5.610 1.00 0.00 O ATOM 750 CB VAL A 49 93.906 -5.620 5.541 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.830 -6.416 6.467 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.650 -6.447 5.247 1.00 0.00 C ATOM 0 H VAL A 49 92.965 -3.486 4.318 1.00 0.00 H new ATOM 0 HA VAL A 49 92.984 -4.505 7.129 1.00 0.00 H new ATOM 0 HB VAL A 49 94.413 -5.406 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.096 -7.360 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.735 -5.840 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.318 -6.615 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.935 -7.385 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.127 -6.658 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.993 -5.887 4.582 1.00 0.00 H new ATOM 762 N VAL A 50 95.267 -3.471 7.732 1.00 0.00 N ATOM 763 CA VAL A 50 96.510 -2.704 8.013 1.00 0.00 C ATOM 764 C VAL A 50 97.576 -3.596 8.645 1.00 0.00 C ATOM 765 O VAL A 50 97.292 -4.523 9.384 1.00 0.00 O ATOM 766 CB VAL A 50 96.192 -1.524 8.938 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.439 -1.135 9.737 1.00 0.00 C ATOM 768 CG2 VAL A 50 95.751 -0.325 8.095 1.00 0.00 C ATOM 0 H VAL A 50 94.833 -3.924 8.537 1.00 0.00 H new ATOM 0 HA VAL A 50 96.903 -2.328 7.069 1.00 0.00 H new ATOM 0 HB VAL A 50 95.396 -1.814 9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.204 -0.296 10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.766 -1.984 10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.236 -0.848 9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 50 95.524 0.516 8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.553 -0.046 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 50 94.862 -0.590 7.523 1.00 0.00 H new ATOM 778 N ASP A 51 98.809 -3.295 8.351 1.00 0.00 N ATOM 779 CA ASP A 51 99.957 -4.068 8.894 1.00 0.00 C ATOM 780 C ASP A 51 99.890 -4.112 10.417 1.00 0.00 C ATOM 781 O ASP A 51 100.815 -4.542 11.073 1.00 0.00 O ATOM 782 CB ASP A 51 101.253 -3.383 8.451 1.00 0.00 C ATOM 783 CG ASP A 51 101.416 -3.551 6.942 1.00 0.00 C ATOM 784 OD1 ASP A 51 100.967 -4.562 6.430 1.00 0.00 O ATOM 785 OD2 ASP A 51 101.979 -2.662 6.322 1.00 0.00 O ATOM 0 H ASP A 51 99.075 -2.523 7.739 1.00 0.00 H new ATOM 0 HA ASP A 51 99.924 -5.091 8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.227 -2.325 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.106 -3.818 8.972 1.00 0.00 H new ATOM 790 N GLY A 52 98.813 -3.671 10.987 1.00 0.00 N ATOM 791 CA GLY A 52 98.713 -3.695 12.463 1.00 0.00 C ATOM 792 C GLY A 52 97.341 -4.204 12.901 1.00 0.00 C ATOM 793 O GLY A 52 97.231 -4.924 13.875 1.00 0.00 O ATOM 0 H GLY A 52 98.000 -3.296 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.493 -4.335 12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.879 -2.694 12.860 1.00 0.00 H new ATOM 797 N GLU A 53 96.287 -3.835 12.226 1.00 0.00 N ATOM 798 CA GLU A 53 94.951 -4.312 12.676 1.00 0.00 C ATOM 799 C GLU A 53 93.912 -4.138 11.558 1.00 0.00 C ATOM 800 O GLU A 53 94.131 -3.415 10.610 1.00 0.00 O ATOM 801 CB GLU A 53 94.544 -3.499 13.909 1.00 0.00 C ATOM 802 CG GLU A 53 93.031 -3.528 14.050 1.00 0.00 C ATOM 803 CD GLU A 53 92.629 -2.978 15.418 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.514 -2.580 16.160 1.00 0.00 O ATOM 805 OE2 GLU A 53 91.445 -2.960 15.697 1.00 0.00 O ATOM 0 H GLU A 53 96.291 -3.237 11.400 1.00 0.00 H new ATOM 0 HA GLU A 53 95.000 -5.372 12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 53 95.012 -3.912 14.802 1.00 0.00 H new ATOM 0 HB3 GLU A 53 94.893 -2.471 13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 53 92.571 -2.935 13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 53 92.665 -4.548 13.936 1.00 0.00 H new ATOM 812 N VAL A 54 92.775 -4.788 11.667 1.00 0.00 N ATOM 813 CA VAL A 54 91.724 -4.638 10.613 1.00 0.00 C ATOM 814 C VAL A 54 91.185 -3.209 10.659 1.00 0.00 C ATOM 815 O VAL A 54 90.904 -2.686 11.720 1.00 0.00 O ATOM 816 CB VAL A 54 90.578 -5.618 10.890 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.449 -5.406 9.874 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.114 -7.048 10.785 1.00 0.00 C ATOM 0 H VAL A 54 92.532 -5.412 12.437 1.00 0.00 H new ATOM 0 HA VAL A 54 92.150 -4.848 9.632 1.00 0.00 H new ATOM 0 HB VAL A 54 90.181 -5.446 11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 54 88.639 -6.106 10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.075 -4.385 9.954 1.00 0.00 H new ATOM 0 HG13 VAL A 54 89.829 -5.575 8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 54 90.307 -7.754 10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.509 -7.216 9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 54 91.908 -7.193 11.517 1.00 0.00 H new ATOM 828 N LYS A 55 91.033 -2.564 9.534 1.00 0.00 N ATOM 829 CA LYS A 55 90.509 -1.172 9.558 1.00 0.00 C ATOM 830 C LYS A 55 89.127 -1.150 8.930 1.00 0.00 C ATOM 831 O LYS A 55 88.873 -1.796 7.933 1.00 0.00 O ATOM 832 CB LYS A 55 91.432 -0.243 8.770 1.00 0.00 C ATOM 833 CG LYS A 55 92.848 -0.336 9.327 1.00 0.00 C ATOM 834 CD LYS A 55 92.785 -0.243 10.844 1.00 0.00 C ATOM 835 CE LYS A 55 94.160 0.098 11.418 1.00 0.00 C ATOM 836 NZ LYS A 55 93.980 0.661 12.786 1.00 0.00 N ATOM 0 H LYS A 55 91.247 -2.937 8.609 1.00 0.00 H new ATOM 0 HA LYS A 55 90.459 -0.829 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.427 -0.518 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 55 91.072 0.784 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 55 93.311 -1.275 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 55 93.465 0.467 8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.063 0.519 11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 55 92.436 -1.189 11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.786 -0.794 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.669 0.818 10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 94.909 0.898 13.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.396 1.520 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 93.509 -0.041 13.391 1.00 0.00 H new ATOM 850 N HIS A 56 88.232 -0.410 9.507 1.00 0.00 N ATOM 851 CA HIS A 56 86.865 -0.340 8.959 1.00 0.00 C ATOM 852 C HIS A 56 86.555 1.120 8.598 1.00 0.00 C ATOM 853 O HIS A 56 86.026 1.865 9.398 1.00 0.00 O ATOM 854 CB HIS A 56 85.896 -0.844 10.027 1.00 0.00 C ATOM 855 CG HIS A 56 84.586 -1.209 9.396 1.00 0.00 C ATOM 856 ND1 HIS A 56 84.259 -2.514 9.060 1.00 0.00 N ATOM 857 CD2 HIS A 56 83.512 -0.449 9.039 1.00 0.00 C ATOM 858 CE1 HIS A 56 83.024 -2.495 8.527 1.00 0.00 C ATOM 859 NE2 HIS A 56 82.520 -1.260 8.491 1.00 0.00 N ATOM 0 H HIS A 56 88.394 0.153 10.342 1.00 0.00 H new ATOM 0 HA HIS A 56 86.768 -0.954 8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 56 86.319 -1.711 10.534 1.00 0.00 H new ATOM 0 HB3 HIS A 56 85.743 -0.075 10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 56 83.441 0.622 9.162 1.00 0.00 H new ATOM 0 HE1 HIS A 56 82.504 -3.372 8.172 1.00 0.00 H new ATOM 0 HE2 HIS A 56 81.607 -0.972 8.139 1.00 0.00 H new ATOM 867 N CYS A 57 86.892 1.538 7.402 1.00 0.00 N ATOM 868 CA CYS A 57 86.620 2.952 6.998 1.00 0.00 C ATOM 869 C CYS A 57 85.116 3.129 6.818 1.00 0.00 C ATOM 870 O CYS A 57 84.435 2.259 6.314 1.00 0.00 O ATOM 871 CB CYS A 57 87.332 3.263 5.682 1.00 0.00 C ATOM 872 SG CYS A 57 87.948 4.963 5.711 1.00 0.00 S ATOM 0 H CYS A 57 87.342 0.963 6.690 1.00 0.00 H new ATOM 0 HA CYS A 57 86.987 3.631 7.767 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.159 2.569 5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.646 3.128 4.845 1.00 0.00 H new ATOM 0 HG CYS A 57 88.555 5.224 4.591 1.00 0.00 H new ATOM 878 N VAL A 58 84.588 4.234 7.250 1.00 0.00 N ATOM 879 CA VAL A 58 83.123 4.448 7.135 1.00 0.00 C ATOM 880 C VAL A 58 82.797 5.496 6.064 1.00 0.00 C ATOM 881 O VAL A 58 83.330 6.589 6.057 1.00 0.00 O ATOM 882 CB VAL A 58 82.608 4.907 8.505 1.00 0.00 C ATOM 883 CG1 VAL A 58 81.278 5.638 8.347 1.00 0.00 C ATOM 884 CG2 VAL A 58 82.416 3.694 9.432 1.00 0.00 C ATOM 0 H VAL A 58 85.108 5.000 7.679 1.00 0.00 H new ATOM 0 HA VAL A 58 82.638 3.520 6.834 1.00 0.00 H new ATOM 0 HB VAL A 58 83.342 5.583 8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.921 5.960 9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.415 6.509 7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.546 4.968 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 58 82.050 4.031 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 58 81.693 3.009 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 58 83.369 3.181 9.562 1.00 0.00 H new ATOM 894 N ILE A 59 81.901 5.172 5.169 1.00 0.00 N ATOM 895 CA ILE A 59 81.509 6.143 4.115 1.00 0.00 C ATOM 896 C ILE A 59 80.093 6.631 4.443 1.00 0.00 C ATOM 897 O ILE A 59 79.157 5.857 4.478 1.00 0.00 O ATOM 898 CB ILE A 59 81.524 5.449 2.745 1.00 0.00 C ATOM 899 CG1 ILE A 59 82.894 4.808 2.490 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.245 6.474 1.648 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.992 5.874 2.530 1.00 0.00 C ATOM 0 H ILE A 59 81.424 4.272 5.126 1.00 0.00 H new ATOM 0 HA ILE A 59 82.203 6.983 4.082 1.00 0.00 H new ATOM 0 HB ILE A 59 80.756 4.676 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.092 4.044 3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 59 82.896 4.310 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.256 5.980 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.267 6.927 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.012 7.248 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.960 5.407 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.800 6.623 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.999 6.353 3.509 1.00 0.00 H new ATOM 913 N ASN A 60 79.926 7.901 4.709 1.00 0.00 N ATOM 914 CA ASN A 60 78.565 8.410 5.065 1.00 0.00 C ATOM 915 C ASN A 60 77.863 8.965 3.822 1.00 0.00 C ATOM 916 O ASN A 60 78.261 9.970 3.268 1.00 0.00 O ATOM 917 CB ASN A 60 78.693 9.524 6.114 1.00 0.00 C ATOM 918 CG ASN A 60 77.301 9.898 6.633 1.00 0.00 C ATOM 919 OD1 ASN A 60 76.426 9.061 6.715 1.00 0.00 O ATOM 920 ND2 ASN A 60 77.060 11.132 6.992 1.00 0.00 N ATOM 0 H ASN A 60 80.666 8.603 4.696 1.00 0.00 H new ATOM 0 HA ASN A 60 77.976 7.586 5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.323 9.191 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 60 79.176 10.397 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 60 76.137 11.391 7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.795 11.836 6.923 1.00 0.00 H new ATOM 927 N LYS A 61 76.811 8.329 3.380 1.00 0.00 N ATOM 928 CA LYS A 61 76.100 8.841 2.175 1.00 0.00 C ATOM 929 C LYS A 61 75.115 9.940 2.580 1.00 0.00 C ATOM 930 O LYS A 61 74.198 9.722 3.348 1.00 0.00 O ATOM 931 CB LYS A 61 75.347 7.699 1.488 1.00 0.00 C ATOM 932 CG LYS A 61 74.804 8.199 0.143 1.00 0.00 C ATOM 933 CD LYS A 61 73.849 7.166 -0.461 1.00 0.00 C ATOM 934 CE LYS A 61 72.405 7.665 -0.341 1.00 0.00 C ATOM 935 NZ LYS A 61 71.480 6.620 -0.863 1.00 0.00 N ATOM 0 H LYS A 61 76.417 7.486 3.797 1.00 0.00 H new ATOM 0 HA LYS A 61 76.832 9.254 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 61 76.011 6.849 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.529 7.353 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 61 74.284 9.147 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 61 75.630 8.386 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 61 74.099 6.994 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 61 73.958 6.211 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 61 72.170 7.888 0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 61 72.280 8.591 -0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 70.498 6.954 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 71.701 6.428 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 71.594 5.747 -0.309 1.00 0.00 H new ATOM 949 N THR A 62 75.304 11.124 2.058 1.00 0.00 N ATOM 950 CA THR A 62 74.393 12.261 2.390 1.00 0.00 C ATOM 951 C THR A 62 74.155 13.092 1.127 1.00 0.00 C ATOM 952 O THR A 62 74.931 13.048 0.193 1.00 0.00 O ATOM 953 CB THR A 62 75.034 13.139 3.473 1.00 0.00 C ATOM 954 OG1 THR A 62 75.208 12.374 4.657 1.00 0.00 O ATOM 955 CG2 THR A 62 74.129 14.334 3.769 1.00 0.00 C ATOM 0 H THR A 62 76.057 11.354 1.410 1.00 0.00 H new ATOM 0 HA THR A 62 73.444 11.875 2.762 1.00 0.00 H new ATOM 0 HB THR A 62 76.002 13.497 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 62 75.619 12.932 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 62 74.587 14.955 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 62 73.994 14.922 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 62 73.160 13.979 4.119 1.00 0.00 H new ATOM 963 N ALA A 63 73.094 13.849 1.083 1.00 0.00 N ATOM 964 CA ALA A 63 72.830 14.670 -0.129 1.00 0.00 C ATOM 965 C ALA A 63 74.058 15.541 -0.417 1.00 0.00 C ATOM 966 O ALA A 63 74.466 15.696 -1.551 1.00 0.00 O ATOM 967 CB ALA A 63 71.601 15.561 0.101 1.00 0.00 C ATOM 0 H ALA A 63 72.403 13.934 1.829 1.00 0.00 H new ATOM 0 HA ALA A 63 72.635 14.017 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 63 71.414 16.159 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 63 70.732 14.936 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 63 71.784 16.221 0.949 1.00 0.00 H new ATOM 973 N THR A 64 74.649 16.116 0.598 1.00 0.00 N ATOM 974 CA THR A 64 75.834 16.981 0.384 1.00 0.00 C ATOM 975 C THR A 64 77.097 16.351 0.993 1.00 0.00 C ATOM 976 O THR A 64 78.110 17.009 1.135 1.00 0.00 O ATOM 977 CB THR A 64 75.571 18.310 1.070 1.00 0.00 C ATOM 978 OG1 THR A 64 75.177 18.072 2.413 1.00 0.00 O ATOM 979 CG2 THR A 64 74.469 19.073 0.337 1.00 0.00 C ATOM 0 H THR A 64 74.355 16.019 1.570 1.00 0.00 H new ATOM 0 HA THR A 64 75.997 17.108 -0.686 1.00 0.00 H new ATOM 0 HB THR A 64 76.481 18.909 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 64 75.008 18.927 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 64 74.290 20.024 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 64 74.777 19.258 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 64 73.553 18.482 0.341 1.00 0.00 H new ATOM 987 N GLY A 65 77.057 15.099 1.362 1.00 0.00 N ATOM 988 CA GLY A 65 78.272 14.474 1.968 1.00 0.00 C ATOM 989 C GLY A 65 78.634 13.186 1.222 1.00 0.00 C ATOM 990 O GLY A 65 78.458 13.081 0.025 1.00 0.00 O ATOM 0 H GLY A 65 76.246 14.486 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.107 15.173 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.090 14.254 3.020 1.00 0.00 H new ATOM 994 N TYR A 66 79.141 12.212 1.934 1.00 0.00 N ATOM 995 CA TYR A 66 79.534 10.916 1.312 1.00 0.00 C ATOM 996 C TYR A 66 80.441 10.165 2.285 1.00 0.00 C ATOM 997 O TYR A 66 80.691 8.987 2.145 1.00 0.00 O ATOM 998 CB TYR A 66 80.298 11.149 0.008 1.00 0.00 C ATOM 999 CG TYR A 66 80.978 9.860 -0.377 1.00 0.00 C ATOM 1000 CD1 TYR A 66 80.272 8.882 -1.083 1.00 0.00 C ATOM 1001 CD2 TYR A 66 82.310 9.636 -0.009 1.00 0.00 C ATOM 1002 CE1 TYR A 66 80.896 7.675 -1.422 1.00 0.00 C ATOM 1003 CE2 TYR A 66 82.936 8.431 -0.351 1.00 0.00 C ATOM 1004 CZ TYR A 66 82.231 7.450 -1.058 1.00 0.00 C ATOM 1005 OH TYR A 66 82.849 6.259 -1.389 1.00 0.00 O ATOM 0 H TYR A 66 79.301 12.264 2.940 1.00 0.00 H new ATOM 0 HA TYR A 66 78.634 10.341 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 66 79.616 11.469 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 66 81.033 11.943 0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 66 79.245 9.057 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 66 82.854 10.392 0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 66 80.349 6.918 -1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 66 83.964 8.258 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 66 82.461 5.909 -2.218 1.00 0.00 H new ATOM 1015 N GLY A 67 80.934 10.855 3.270 1.00 0.00 N ATOM 1016 CA GLY A 67 81.839 10.218 4.268 1.00 0.00 C ATOM 1017 C GLY A 67 83.020 11.166 4.520 1.00 0.00 C ATOM 1018 O GLY A 67 83.018 11.935 5.459 1.00 0.00 O ATOM 0 H GLY A 67 80.748 11.845 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.303 10.023 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 67 82.196 9.257 3.898 1.00 0.00 H new ATOM 1022 N PHE A 68 84.019 11.126 3.675 1.00 0.00 N ATOM 1023 CA PHE A 68 85.198 12.034 3.844 1.00 0.00 C ATOM 1024 C PHE A 68 84.861 13.429 3.291 1.00 0.00 C ATOM 1025 O PHE A 68 84.056 13.574 2.392 1.00 0.00 O ATOM 1026 CB PHE A 68 86.385 11.474 3.057 1.00 0.00 C ATOM 1027 CG PHE A 68 87.086 10.386 3.834 1.00 0.00 C ATOM 1028 CD1 PHE A 68 86.576 9.082 3.848 1.00 0.00 C ATOM 1029 CD2 PHE A 68 88.267 10.681 4.528 1.00 0.00 C ATOM 1030 CE1 PHE A 68 87.246 8.076 4.557 1.00 0.00 C ATOM 1031 CE2 PHE A 68 88.938 9.676 5.234 1.00 0.00 C ATOM 1032 CZ PHE A 68 88.428 8.374 5.249 1.00 0.00 C ATOM 0 H PHE A 68 84.070 10.501 2.871 1.00 0.00 H new ATOM 0 HA PHE A 68 85.446 12.104 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 68 86.038 11.078 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 68 87.088 12.276 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 68 85.667 8.852 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 68 88.661 11.687 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 68 86.852 7.071 4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 68 89.849 9.906 5.767 1.00 0.00 H new ATOM 0 HZ PHE A 68 88.945 7.598 5.794 1.00 0.00 H new ATOM 1042 N ALA A 69 85.475 14.456 3.816 1.00 0.00 N ATOM 1043 CA ALA A 69 85.188 15.831 3.312 1.00 0.00 C ATOM 1044 C ALA A 69 86.494 16.608 3.099 1.00 0.00 C ATOM 1045 O ALA A 69 86.540 17.811 3.271 1.00 0.00 O ATOM 1046 CB ALA A 69 84.329 16.569 4.335 1.00 0.00 C ATOM 0 H ALA A 69 86.161 14.403 4.569 1.00 0.00 H new ATOM 0 HA ALA A 69 84.662 15.756 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 69 84.116 17.575 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 69 83.393 16.030 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 69 84.864 16.630 5.283 1.00 0.00 H new ATOM 1052 N GLU A 70 87.552 15.948 2.717 1.00 0.00 N ATOM 1053 CA GLU A 70 88.826 16.686 2.494 1.00 0.00 C ATOM 1054 C GLU A 70 88.608 17.715 1.383 1.00 0.00 C ATOM 1055 O GLU A 70 89.152 18.802 1.420 1.00 0.00 O ATOM 1056 CB GLU A 70 89.941 15.723 2.086 1.00 0.00 C ATOM 1057 CG GLU A 70 91.290 16.432 2.224 1.00 0.00 C ATOM 1058 CD GLU A 70 91.700 16.513 3.700 1.00 0.00 C ATOM 1059 OE1 GLU A 70 90.830 16.406 4.549 1.00 0.00 O ATOM 1060 OE2 GLU A 70 92.883 16.687 3.954 1.00 0.00 O ATOM 0 H GLU A 70 87.590 14.942 2.551 1.00 0.00 H new ATOM 0 HA GLU A 70 89.121 17.183 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 70 89.918 14.833 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 70 89.794 15.391 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 70 92.051 15.895 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 70 91.226 17.435 1.802 1.00 0.00 H new ATOM 1067 N PRO A 71 87.804 17.377 0.405 1.00 0.00 N ATOM 1068 CA PRO A 71 87.477 18.268 -0.725 1.00 0.00 C ATOM 1069 C PRO A 71 86.170 19.015 -0.466 1.00 0.00 C ATOM 1070 O PRO A 71 85.534 19.510 -1.371 1.00 0.00 O ATOM 1071 CB PRO A 71 87.333 17.291 -1.888 1.00 0.00 C ATOM 1072 CG PRO A 71 86.875 15.997 -1.274 1.00 0.00 C ATOM 1073 CD PRO A 71 87.103 16.096 0.246 1.00 0.00 C ATOM 0 HA PRO A 71 88.224 19.042 -0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 71 86.611 17.655 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 71 88.280 17.163 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 71 85.822 15.821 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 71 87.431 15.157 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 71 86.161 16.083 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 71 87.700 15.263 0.617 1.00 0.00 H new ATOM 1081 N TYR A 72 85.771 19.073 0.779 1.00 0.00 N ATOM 1082 CA TYR A 72 84.506 19.764 1.149 1.00 0.00 C ATOM 1083 C TYR A 72 83.324 18.958 0.608 1.00 0.00 C ATOM 1084 O TYR A 72 82.347 19.509 0.140 1.00 0.00 O ATOM 1085 CB TYR A 72 84.486 21.184 0.557 1.00 0.00 C ATOM 1086 CG TYR A 72 85.718 21.938 1.001 1.00 0.00 C ATOM 1087 CD1 TYR A 72 85.871 22.294 2.343 1.00 0.00 C ATOM 1088 CD2 TYR A 72 86.709 22.275 0.068 1.00 0.00 C ATOM 1089 CE1 TYR A 72 87.015 22.986 2.757 1.00 0.00 C ATOM 1090 CE2 TYR A 72 87.855 22.966 0.482 1.00 0.00 C ATOM 1091 CZ TYR A 72 88.007 23.321 1.828 1.00 0.00 C ATOM 1092 OH TYR A 72 89.134 23.997 2.244 1.00 0.00 O ATOM 0 H TYR A 72 86.278 18.664 1.564 1.00 0.00 H new ATOM 0 HA TYR A 72 84.435 19.839 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 72 84.451 21.134 -0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 72 83.589 21.711 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 72 85.107 22.035 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 72 86.589 22.002 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 72 87.133 23.262 3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 72 88.620 23.224 -0.235 1.00 0.00 H new ATOM 0 HH TYR A 72 89.724 24.152 1.477 1.00 0.00 H new ATOM 1102 N ASN A 73 83.406 17.653 0.660 1.00 0.00 N ATOM 1103 CA ASN A 73 82.289 16.817 0.140 1.00 0.00 C ATOM 1104 C ASN A 73 82.063 17.181 -1.322 1.00 0.00 C ATOM 1105 O ASN A 73 80.947 17.364 -1.766 1.00 0.00 O ATOM 1106 CB ASN A 73 81.014 17.094 0.948 1.00 0.00 C ATOM 1107 CG ASN A 73 81.223 16.652 2.398 1.00 0.00 C ATOM 1108 OD1 ASN A 73 81.896 15.560 2.642 1.00 0.00 O flip ATOM 1109 ND2 ASN A 73 80.775 17.310 3.317 1.00 0.00 N flip ATOM 0 H ASN A 73 84.197 17.134 1.040 1.00 0.00 H new ATOM 0 HA ASN A 73 82.536 15.759 0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 73 80.771 18.156 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 73 80.171 16.559 0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 73 80.249 18.163 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 73 80.925 17.009 4.280 1.00 0.00 H new ATOM 1116 N LEU A 74 83.118 17.320 -2.072 1.00 0.00 N ATOM 1117 CA LEU A 74 82.952 17.707 -3.500 1.00 0.00 C ATOM 1118 C LEU A 74 83.417 16.580 -4.422 1.00 0.00 C ATOM 1119 O LEU A 74 83.885 16.820 -5.518 1.00 0.00 O ATOM 1120 CB LEU A 74 83.760 18.976 -3.771 1.00 0.00 C ATOM 1121 CG LEU A 74 83.192 20.119 -2.925 1.00 0.00 C ATOM 1122 CD1 LEU A 74 84.025 21.384 -3.153 1.00 0.00 C ATOM 1123 CD2 LEU A 74 81.738 20.385 -3.330 1.00 0.00 C ATOM 0 H LEU A 74 84.080 17.184 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 74 81.897 17.894 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 74 84.810 18.813 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 74 83.715 19.232 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 74 83.229 19.843 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 74 83.622 22.199 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 74 85.059 21.196 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 74 83.988 21.659 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 74 81.335 21.199 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 74 81.698 20.660 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 74 81.145 19.485 -3.168 1.00 0.00 H new ATOM 1135 N TYR A 75 83.285 15.352 -4.004 1.00 0.00 N ATOM 1136 CA TYR A 75 83.720 14.228 -4.880 1.00 0.00 C ATOM 1137 C TYR A 75 82.946 14.290 -6.202 1.00 0.00 C ATOM 1138 O TYR A 75 81.817 14.739 -6.256 1.00 0.00 O ATOM 1139 CB TYR A 75 83.438 12.888 -4.193 1.00 0.00 C ATOM 1140 CG TYR A 75 84.237 12.797 -2.917 1.00 0.00 C ATOM 1141 CD1 TYR A 75 85.636 12.854 -2.967 1.00 0.00 C ATOM 1142 CD2 TYR A 75 83.584 12.659 -1.688 1.00 0.00 C ATOM 1143 CE1 TYR A 75 86.381 12.778 -1.785 1.00 0.00 C ATOM 1144 CE2 TYR A 75 84.329 12.581 -0.504 1.00 0.00 C ATOM 1145 CZ TYR A 75 85.729 12.640 -0.554 1.00 0.00 C ATOM 1146 OH TYR A 75 86.470 12.574 0.610 1.00 0.00 O ATOM 0 H TYR A 75 82.898 15.079 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 75 84.790 14.315 -5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 75 82.374 12.796 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 75 83.700 12.065 -4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 75 86.139 12.957 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 75 82.506 12.613 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.459 12.826 -1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 75 83.826 12.476 0.446 1.00 0.00 H new ATOM 0 HH TYR A 75 87.029 11.769 0.597 1.00 0.00 H new ATOM 1156 N SER A 76 83.550 13.853 -7.276 1.00 0.00 N ATOM 1157 CA SER A 76 82.852 13.894 -8.595 1.00 0.00 C ATOM 1158 C SER A 76 82.204 12.541 -8.887 1.00 0.00 C ATOM 1159 O SER A 76 81.074 12.466 -9.329 1.00 0.00 O ATOM 1160 CB SER A 76 83.860 14.216 -9.698 1.00 0.00 C ATOM 1161 OG SER A 76 83.192 14.229 -10.953 1.00 0.00 O ATOM 0 H SER A 76 84.495 13.470 -7.297 1.00 0.00 H new ATOM 0 HA SER A 76 82.081 14.664 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 76 84.326 15.184 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A 76 84.658 13.474 -9.705 1.00 0.00 H new ATOM 0 HG SER A 76 83.834 14.437 -11.663 1.00 0.00 H new ATOM 1167 N SER A 77 82.911 11.473 -8.661 1.00 0.00 N ATOM 1168 CA SER A 77 82.331 10.138 -8.945 1.00 0.00 C ATOM 1169 C SER A 77 82.722 9.150 -7.849 1.00 0.00 C ATOM 1170 O SER A 77 83.756 9.270 -7.222 1.00 0.00 O ATOM 1171 CB SER A 77 82.855 9.630 -10.283 1.00 0.00 C ATOM 1172 OG SER A 77 82.207 8.408 -10.595 1.00 0.00 O ATOM 0 H SER A 77 83.862 11.468 -8.293 1.00 0.00 H new ATOM 0 HA SER A 77 81.245 10.226 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 77 82.669 10.366 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 77 83.934 9.483 -10.234 1.00 0.00 H new ATOM 0 HG SER A 77 82.536 8.074 -11.455 1.00 0.00 H new ATOM 1178 N LEU A 78 81.891 8.175 -7.618 1.00 0.00 N ATOM 1179 CA LEU A 78 82.192 7.167 -6.570 1.00 0.00 C ATOM 1180 C LEU A 78 83.414 6.351 -6.972 1.00 0.00 C ATOM 1181 O LEU A 78 84.262 6.050 -6.156 1.00 0.00 O ATOM 1182 CB LEU A 78 80.994 6.240 -6.412 1.00 0.00 C ATOM 1183 CG LEU A 78 79.824 7.060 -5.882 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.579 6.183 -5.760 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.198 7.625 -4.513 1.00 0.00 C ATOM 0 H LEU A 78 81.011 8.033 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 78 82.396 7.674 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.737 5.785 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.230 5.427 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 78 79.607 7.875 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 78 77.749 6.780 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.319 5.782 -6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 78 78.779 5.361 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.368 8.214 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.414 6.805 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.079 8.259 -4.610 1.00 0.00 H new ATOM 1197 N LYS A 79 83.526 5.991 -8.220 1.00 0.00 N ATOM 1198 CA LYS A 79 84.709 5.196 -8.641 1.00 0.00 C ATOM 1199 C LYS A 79 85.963 6.058 -8.464 1.00 0.00 C ATOM 1200 O LYS A 79 86.993 5.586 -8.025 1.00 0.00 O ATOM 1201 CB LYS A 79 84.567 4.783 -10.108 1.00 0.00 C ATOM 1202 CG LYS A 79 83.458 3.732 -10.249 1.00 0.00 C ATOM 1203 CD LYS A 79 83.368 3.283 -11.712 1.00 0.00 C ATOM 1204 CE LYS A 79 82.510 2.018 -11.817 1.00 0.00 C ATOM 1205 NZ LYS A 79 82.445 1.579 -13.239 1.00 0.00 N ATOM 0 H LYS A 79 82.857 6.210 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 79 84.785 4.295 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.334 5.655 -10.719 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.511 4.380 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.668 2.877 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.504 4.148 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.935 4.078 -12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.366 3.089 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 82.934 1.226 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 79 81.506 2.214 -11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 81.863 0.720 -13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 82.022 2.334 -13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 83.405 1.376 -13.584 1.00 0.00 H new ATOM 1219 N GLU A 80 85.879 7.324 -8.795 1.00 0.00 N ATOM 1220 CA GLU A 80 87.065 8.219 -8.639 1.00 0.00 C ATOM 1221 C GLU A 80 87.369 8.387 -7.155 1.00 0.00 C ATOM 1222 O GLU A 80 88.510 8.516 -6.753 1.00 0.00 O ATOM 1223 CB GLU A 80 86.777 9.590 -9.249 1.00 0.00 C ATOM 1224 CG GLU A 80 86.612 9.446 -10.758 1.00 0.00 C ATOM 1225 CD GLU A 80 86.243 10.802 -11.361 1.00 0.00 C ATOM 1226 OE1 GLU A 80 85.497 11.527 -10.724 1.00 0.00 O ATOM 1227 OE2 GLU A 80 86.714 11.094 -12.448 1.00 0.00 O ATOM 0 H GLU A 80 85.042 7.774 -9.165 1.00 0.00 H new ATOM 0 HA GLU A 80 87.918 7.774 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.873 10.013 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.591 10.279 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.537 9.078 -11.202 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.837 8.713 -10.982 1.00 0.00 H new ATOM 1234 N LEU A 81 86.361 8.378 -6.332 1.00 0.00 N ATOM 1235 CA LEU A 81 86.601 8.522 -4.874 1.00 0.00 C ATOM 1236 C LEU A 81 87.480 7.361 -4.407 1.00 0.00 C ATOM 1237 O LEU A 81 88.436 7.543 -3.680 1.00 0.00 O ATOM 1238 CB LEU A 81 85.260 8.485 -4.145 1.00 0.00 C ATOM 1239 CG LEU A 81 85.483 8.528 -2.628 1.00 0.00 C ATOM 1240 CD1 LEU A 81 85.967 7.159 -2.142 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.530 9.597 -2.273 1.00 0.00 C ATOM 0 H LEU A 81 85.384 8.277 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 81 87.100 9.467 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.646 9.331 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.715 7.580 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 81 84.541 8.779 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.125 7.191 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 81 85.217 6.404 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 81 86.904 6.907 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.678 9.617 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 81 87.473 9.360 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.181 10.574 -2.609 1.00 0.00 H new ATOM 1253 N VAL A 82 87.168 6.165 -4.834 1.00 0.00 N ATOM 1254 CA VAL A 82 87.993 4.987 -4.430 1.00 0.00 C ATOM 1255 C VAL A 82 89.397 5.121 -5.040 1.00 0.00 C ATOM 1256 O VAL A 82 90.398 4.853 -4.400 1.00 0.00 O ATOM 1257 CB VAL A 82 87.342 3.698 -4.947 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.262 2.509 -4.649 1.00 0.00 C ATOM 1259 CG2 VAL A 82 85.990 3.484 -4.255 1.00 0.00 C ATOM 0 H VAL A 82 86.379 5.953 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 82 88.061 4.949 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 82 87.185 3.780 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.801 1.592 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.221 2.657 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.419 2.431 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.532 2.567 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.141 3.404 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.335 4.329 -4.468 1.00 0.00 H new ATOM 1269 N LEU A 83 89.469 5.520 -6.286 1.00 0.00 N ATOM 1270 CA LEU A 83 90.789 5.664 -6.976 1.00 0.00 C ATOM 1271 C LEU A 83 91.684 6.689 -6.256 1.00 0.00 C ATOM 1272 O LEU A 83 92.867 6.479 -6.082 1.00 0.00 O ATOM 1273 CB LEU A 83 90.554 6.139 -8.409 1.00 0.00 C ATOM 1274 CG LEU A 83 89.859 5.033 -9.213 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.486 5.559 -10.600 1.00 0.00 C ATOM 1276 CD2 LEU A 83 90.805 3.843 -9.374 1.00 0.00 C ATOM 0 H LEU A 83 88.660 5.755 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 83 91.289 4.696 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.941 7.041 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.504 6.400 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 83 88.959 4.722 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.993 4.770 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.811 6.409 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.388 5.874 -11.125 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.309 3.059 -9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.705 4.162 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.077 3.459 -8.391 1.00 0.00 H new ATOM 1288 N HIS A 84 91.144 7.811 -5.861 1.00 0.00 N ATOM 1289 CA HIS A 84 91.990 8.842 -5.184 1.00 0.00 C ATOM 1290 C HIS A 84 92.542 8.300 -3.855 1.00 0.00 C ATOM 1291 O HIS A 84 93.681 8.540 -3.506 1.00 0.00 O ATOM 1292 CB HIS A 84 91.145 10.091 -4.925 1.00 0.00 C ATOM 1293 CG HIS A 84 91.992 11.173 -4.295 1.00 0.00 C ATOM 1294 ND1 HIS A 84 92.645 12.262 -4.830 1.00 0.00 N flip ATOM 1295 CD2 HIS A 84 92.235 11.224 -2.929 1.00 0.00 C flip ATOM 1296 CE1 HIS A 84 93.278 12.973 -3.815 1.00 0.00 C flip ATOM 1297 NE2 HIS A 84 93.000 12.308 -2.691 1.00 0.00 N flip ATOM 0 H HIS A 84 90.161 8.059 -5.976 1.00 0.00 H new ATOM 0 HA HIS A 84 92.832 9.092 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.719 10.451 -5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.310 9.845 -4.269 1.00 0.00 H new ATOM 0 HD1 HIS A 84 92.662 12.509 -5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.876 10.522 -2.191 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.869 13.872 -3.915 1.00 0.00 H new ATOM 1305 N TYR A 85 91.750 7.577 -3.109 1.00 0.00 N ATOM 1306 CA TYR A 85 92.239 7.031 -1.804 1.00 0.00 C ATOM 1307 C TYR A 85 93.383 6.034 -2.028 1.00 0.00 C ATOM 1308 O TYR A 85 94.176 5.780 -1.142 1.00 0.00 O ATOM 1309 CB TYR A 85 91.086 6.350 -1.061 1.00 0.00 C ATOM 1310 CG TYR A 85 90.266 7.406 -0.360 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.789 8.512 -1.075 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.005 7.292 1.010 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.049 9.503 -0.421 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.270 8.286 1.668 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.791 9.393 0.950 1.00 0.00 C ATOM 1316 OH TYR A 85 88.069 10.381 1.594 1.00 0.00 O ATOM 0 H TYR A 85 90.786 7.340 -3.344 1.00 0.00 H new ATOM 0 HA TYR A 85 92.617 7.857 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.464 5.792 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.475 5.633 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.993 8.600 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.370 6.437 1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.677 10.353 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 85 89.072 8.201 2.726 1.00 0.00 H new ATOM 0 HH TYR A 85 87.949 10.138 2.536 1.00 0.00 H new ATOM 1326 N GLN A 86 93.483 5.455 -3.188 1.00 0.00 N ATOM 1327 CA GLN A 86 94.591 4.486 -3.421 1.00 0.00 C ATOM 1328 C GLN A 86 95.920 5.245 -3.449 1.00 0.00 C ATOM 1329 O GLN A 86 96.948 4.736 -3.051 1.00 0.00 O ATOM 1330 CB GLN A 86 94.384 3.786 -4.756 1.00 0.00 C ATOM 1331 CG GLN A 86 92.894 3.578 -4.977 1.00 0.00 C ATOM 1332 CD GLN A 86 92.684 2.502 -6.039 1.00 0.00 C ATOM 1333 OE1 GLN A 86 92.637 2.848 -7.294 1.00 0.00 O flip ATOM 1334 NE2 GLN A 86 92.576 1.336 -5.724 1.00 0.00 N flip ATOM 0 H GLN A 86 92.855 5.606 -3.978 1.00 0.00 H new ATOM 0 HA GLN A 86 94.603 3.745 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 86 94.805 4.384 -5.564 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.904 2.828 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.415 3.282 -4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.428 4.512 -5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 86 92.613 1.068 -4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.448 0.623 -6.442 1.00 0.00 H new ATOM 1343 N HIS A 87 95.904 6.459 -3.921 1.00 0.00 N ATOM 1344 CA HIS A 87 97.161 7.252 -3.979 1.00 0.00 C ATOM 1345 C HIS A 87 97.358 7.999 -2.662 1.00 0.00 C ATOM 1346 O HIS A 87 98.447 8.428 -2.337 1.00 0.00 O ATOM 1347 CB HIS A 87 97.075 8.257 -5.122 1.00 0.00 C ATOM 1348 CG HIS A 87 97.013 7.513 -6.419 1.00 0.00 C ATOM 1349 ND1 HIS A 87 95.811 7.138 -6.993 1.00 0.00 N ATOM 1350 CD2 HIS A 87 97.993 7.057 -7.263 1.00 0.00 C ATOM 1351 CE1 HIS A 87 96.094 6.485 -8.134 1.00 0.00 C ATOM 1352 NE2 HIS A 87 97.411 6.408 -8.346 1.00 0.00 N ATOM 0 H HIS A 87 95.073 6.937 -4.270 1.00 0.00 H new ATOM 0 HA HIS A 87 98.004 6.581 -4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.192 8.885 -5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.941 8.919 -5.108 1.00 0.00 H new ATOM 0 HD1 HIS A 87 94.880 7.323 -6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 87 99.055 7.183 -7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 87 95.348 6.073 -8.798 1.00 0.00 H new ATOM 1360 N THR A 88 96.308 8.162 -1.903 1.00 0.00 N ATOM 1361 CA THR A 88 96.432 8.885 -0.605 1.00 0.00 C ATOM 1362 C THR A 88 96.498 7.875 0.539 1.00 0.00 C ATOM 1363 O THR A 88 95.665 6.997 0.659 1.00 0.00 O ATOM 1364 CB THR A 88 95.222 9.810 -0.419 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.142 10.704 -1.522 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.377 10.613 0.874 1.00 0.00 C ATOM 0 H THR A 88 95.371 7.826 -2.125 1.00 0.00 H new ATOM 0 HA THR A 88 97.344 9.483 -0.605 1.00 0.00 H new ATOM 0 HB THR A 88 94.314 9.210 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.325 11.240 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.515 11.268 1.001 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.442 9.930 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.285 11.214 0.822 1.00 0.00 H new ATOM 1374 N SER A 89 97.491 7.992 1.377 1.00 0.00 N ATOM 1375 CA SER A 89 97.630 7.042 2.512 1.00 0.00 C ATOM 1376 C SER A 89 96.706 7.473 3.651 1.00 0.00 C ATOM 1377 O SER A 89 96.562 8.645 3.942 1.00 0.00 O ATOM 1378 CB SER A 89 99.078 7.050 2.989 1.00 0.00 C ATOM 1379 OG SER A 89 99.298 8.189 3.810 1.00 0.00 O ATOM 0 H SER A 89 98.215 8.709 1.322 1.00 0.00 H new ATOM 0 HA SER A 89 97.357 6.036 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.294 6.139 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.754 7.068 2.134 1.00 0.00 H new ATOM 0 HG SER A 89 100.228 8.195 4.119 1.00 0.00 H new ATOM 1385 N LEU A 90 96.075 6.531 4.289 1.00 0.00 N ATOM 1386 CA LEU A 90 95.148 6.872 5.406 1.00 0.00 C ATOM 1387 C LEU A 90 95.950 7.239 6.659 1.00 0.00 C ATOM 1388 O LEU A 90 95.438 7.841 7.580 1.00 0.00 O ATOM 1389 CB LEU A 90 94.244 5.673 5.689 1.00 0.00 C ATOM 1390 CG LEU A 90 93.230 5.519 4.550 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.746 4.495 3.546 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.895 5.030 5.108 1.00 0.00 C ATOM 0 H LEU A 90 96.160 5.535 4.086 1.00 0.00 H new ATOM 0 HA LEU A 90 94.535 7.729 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.842 4.767 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.724 5.811 6.637 1.00 0.00 H new ATOM 0 HG LEU A 90 93.093 6.485 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 90 93.025 4.385 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.700 4.832 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 90 93.882 3.535 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.178 4.922 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.036 4.066 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.517 5.752 5.832 1.00 0.00 H new ATOM 1404 N VAL A 91 97.202 6.874 6.699 1.00 0.00 N ATOM 1405 CA VAL A 91 98.047 7.193 7.886 1.00 0.00 C ATOM 1406 C VAL A 91 97.593 8.502 8.529 1.00 0.00 C ATOM 1407 O VAL A 91 97.500 8.596 9.737 1.00 0.00 O ATOM 1408 CB VAL A 91 99.502 7.329 7.441 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.700 8.675 6.741 1.00 0.00 C ATOM 1410 CG2 VAL A 91 100.417 7.257 8.662 1.00 0.00 C ATOM 0 H VAL A 91 97.680 6.365 5.955 1.00 0.00 H new ATOM 0 HA VAL A 91 97.950 6.390 8.617 1.00 0.00 H new ATOM 0 HB VAL A 91 99.746 6.520 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.738 8.771 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 91 99.048 8.731 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.455 9.483 7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.455 7.354 8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.171 8.066 9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.279 6.299 9.164 1.00 0.00 H new ATOM 1420 N GLN A 92 97.330 9.512 7.734 1.00 0.00 N ATOM 1421 CA GLN A 92 96.906 10.831 8.303 1.00 0.00 C ATOM 1422 C GLN A 92 95.537 10.728 8.985 1.00 0.00 C ATOM 1423 O GLN A 92 95.124 11.629 9.686 1.00 0.00 O ATOM 1424 CB GLN A 92 96.828 11.871 7.182 1.00 0.00 C ATOM 1425 CG GLN A 92 95.693 11.511 6.226 1.00 0.00 C ATOM 1426 CD GLN A 92 95.975 12.111 4.847 1.00 0.00 C ATOM 1427 OE1 GLN A 92 96.954 12.809 4.662 1.00 0.00 O ATOM 1428 NE2 GLN A 92 95.150 11.870 3.868 1.00 0.00 N ATOM 0 H GLN A 92 97.391 9.480 6.716 1.00 0.00 H new ATOM 0 HA GLN A 92 97.644 11.131 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.661 12.862 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 92 97.774 11.909 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 92 95.598 10.428 6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.746 11.888 6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 92 94.330 11.285 4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 92 95.324 12.267 2.945 1.00 0.00 H new ATOM 1437 N HIS A 93 94.832 9.645 8.813 1.00 0.00 N ATOM 1438 CA HIS A 93 93.510 9.529 9.490 1.00 0.00 C ATOM 1439 C HIS A 93 93.752 9.547 10.999 1.00 0.00 C ATOM 1440 O HIS A 93 93.115 10.271 11.740 1.00 0.00 O ATOM 1441 CB HIS A 93 92.841 8.214 9.081 1.00 0.00 C ATOM 1442 CG HIS A 93 92.380 8.326 7.654 1.00 0.00 C ATOM 1443 ND1 HIS A 93 92.999 9.170 6.747 1.00 0.00 N ATOM 1444 CD2 HIS A 93 91.368 7.708 6.960 1.00 0.00 C ATOM 1445 CE1 HIS A 93 92.366 9.033 5.568 1.00 0.00 C ATOM 1446 NE2 HIS A 93 91.364 8.155 5.643 1.00 0.00 N ATOM 0 H HIS A 93 95.108 8.846 8.242 1.00 0.00 H new ATOM 0 HA HIS A 93 92.857 10.354 9.205 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.541 7.386 9.187 1.00 0.00 H new ATOM 0 HB3 HIS A 93 91.995 8.002 9.735 1.00 0.00 H new ATOM 0 HD2 HIS A 93 90.680 6.985 7.374 1.00 0.00 H new ATOM 0 HE1 HIS A 93 92.636 9.569 4.670 1.00 0.00 H new ATOM 0 HE2 HIS A 93 90.731 7.872 4.895 1.00 0.00 H new ATOM 1454 N ASN A 94 94.702 8.770 11.442 1.00 0.00 N ATOM 1455 CA ASN A 94 95.045 8.732 12.890 1.00 0.00 C ATOM 1456 C ASN A 94 96.567 8.690 13.017 1.00 0.00 C ATOM 1457 O ASN A 94 97.106 8.288 14.027 1.00 0.00 O ATOM 1458 CB ASN A 94 94.439 7.484 13.537 1.00 0.00 C ATOM 1459 CG ASN A 94 92.912 7.572 13.484 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.342 8.737 13.353 1.00 0.00 O flip ATOM 1461 ND2 ASN A 94 92.231 6.570 13.562 1.00 0.00 N flip ATOM 0 H ASN A 94 95.262 8.152 10.854 1.00 0.00 H new ATOM 0 HA ASN A 94 94.646 9.613 13.393 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.781 6.589 13.017 1.00 0.00 H new ATOM 0 HB3 ASN A 94 94.773 7.399 14.571 1.00 0.00 H new ATOM 0 HD21 ASN A 94 92.676 5.658 13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 94 91.214 6.640 13.525 1.00 0.00 H new ATOM 1468 N ASP A 95 97.255 9.096 11.983 1.00 0.00 N ATOM 1469 CA ASP A 95 98.742 9.086 12.010 1.00 0.00 C ATOM 1470 C ASP A 95 99.241 7.653 12.208 1.00 0.00 C ATOM 1471 O ASP A 95 100.380 7.429 12.565 1.00 0.00 O ATOM 1472 CB ASP A 95 99.245 9.968 13.159 1.00 0.00 C ATOM 1473 CG ASP A 95 99.012 11.441 12.812 1.00 0.00 C ATOM 1474 OD1 ASP A 95 98.876 11.738 11.636 1.00 0.00 O ATOM 1475 OD2 ASP A 95 98.975 12.247 13.726 1.00 0.00 O ATOM 0 H ASP A 95 96.844 9.437 11.114 1.00 0.00 H new ATOM 0 HA ASP A 95 99.122 9.475 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 95 98.723 9.714 14.082 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.306 9.788 13.332 1.00 0.00 H new ATOM 1480 N SER A 96 98.403 6.680 11.975 1.00 0.00 N ATOM 1481 CA SER A 96 98.847 5.270 12.151 1.00 0.00 C ATOM 1482 C SER A 96 98.150 4.377 11.132 1.00 0.00 C ATOM 1483 O SER A 96 98.242 3.166 11.188 1.00 0.00 O ATOM 1484 CB SER A 96 98.511 4.798 13.566 1.00 0.00 C ATOM 1485 OG SER A 96 99.212 5.603 14.503 1.00 0.00 O ATOM 0 H SER A 96 97.436 6.800 11.672 1.00 0.00 H new ATOM 0 HA SER A 96 99.925 5.212 11.998 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.437 4.867 13.740 1.00 0.00 H new ATOM 0 HB3 SER A 96 98.788 3.751 13.689 1.00 0.00 H new ATOM 0 HG SER A 96 99.000 5.306 15.413 1.00 0.00 H new ATOM 1491 N LEU A 97 97.472 4.957 10.192 1.00 0.00 N ATOM 1492 CA LEU A 97 96.795 4.132 9.161 1.00 0.00 C ATOM 1493 C LEU A 97 97.712 4.085 7.939 1.00 0.00 C ATOM 1494 O LEU A 97 97.425 4.656 6.908 1.00 0.00 O ATOM 1495 CB LEU A 97 95.443 4.765 8.802 1.00 0.00 C ATOM 1496 CG LEU A 97 94.418 4.483 9.907 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.873 3.064 9.754 1.00 0.00 C ATOM 1498 CD2 LEU A 97 95.083 4.622 11.278 1.00 0.00 C ATOM 0 H LEU A 97 97.356 5.965 10.091 1.00 0.00 H new ATOM 0 HA LEU A 97 96.606 3.122 9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.560 5.841 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.086 4.364 7.853 1.00 0.00 H new ATOM 0 HG LEU A 97 93.601 5.199 9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.145 2.867 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.392 2.962 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.692 2.349 9.831 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.351 4.421 12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 97 95.904 3.910 11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.469 5.635 11.394 1.00 0.00 H new ATOM 1510 N ASN A 98 98.836 3.431 8.060 1.00 0.00 N ATOM 1511 CA ASN A 98 99.793 3.381 6.920 1.00 0.00 C ATOM 1512 C ASN A 98 99.329 2.362 5.881 1.00 0.00 C ATOM 1513 O ASN A 98 99.827 1.256 5.813 1.00 0.00 O ATOM 1514 CB ASN A 98 101.176 2.996 7.443 1.00 0.00 C ATOM 1515 CG ASN A 98 102.219 3.195 6.334 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.901 3.108 5.164 1.00 0.00 O ATOM 1517 ND2 ASN A 98 103.459 3.455 6.652 1.00 0.00 N ATOM 0 H ASN A 98 99.132 2.930 8.898 1.00 0.00 H new ATOM 0 HA ASN A 98 99.839 4.362 6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.431 3.606 8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.175 1.957 7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 98 104.157 3.584 5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.729 3.529 7.633 1.00 0.00 H new ATOM 1524 N VAL A 99 98.387 2.744 5.059 1.00 0.00 N ATOM 1525 CA VAL A 99 97.889 1.818 4.002 1.00 0.00 C ATOM 1526 C VAL A 99 97.116 2.609 2.952 1.00 0.00 C ATOM 1527 O VAL A 99 96.596 3.673 3.214 1.00 0.00 O ATOM 1528 CB VAL A 99 96.961 0.766 4.617 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.813 1.458 5.356 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.385 -0.122 3.507 1.00 0.00 C ATOM 0 H VAL A 99 97.940 3.661 5.075 1.00 0.00 H new ATOM 0 HA VAL A 99 98.742 1.322 3.540 1.00 0.00 H new ATOM 0 HB VAL A 99 97.529 0.155 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.155 0.706 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.218 2.089 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.247 2.073 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.725 -0.870 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.821 0.493 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.199 -0.620 2.980 1.00 0.00 H new ATOM 1540 N THR A 100 97.023 2.091 1.767 1.00 0.00 N ATOM 1541 CA THR A 100 96.260 2.806 0.711 1.00 0.00 C ATOM 1542 C THR A 100 95.293 1.828 0.062 1.00 0.00 C ATOM 1543 O THR A 100 95.521 0.634 0.042 1.00 0.00 O ATOM 1544 CB THR A 100 97.207 3.356 -0.352 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.765 2.279 -1.092 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.326 4.173 0.304 1.00 0.00 C ATOM 0 H THR A 100 97.440 1.205 1.481 1.00 0.00 H new ATOM 0 HA THR A 100 95.718 3.638 1.160 1.00 0.00 H new ATOM 0 HB THR A 100 96.648 4.008 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.372 2.632 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.994 4.559 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.892 5.005 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.889 3.537 0.987 1.00 0.00 H new ATOM 1554 N LEU A 101 94.220 2.315 -0.481 1.00 0.00 N ATOM 1555 CA LEU A 101 93.252 1.396 -1.131 1.00 0.00 C ATOM 1556 C LEU A 101 93.803 1.023 -2.513 1.00 0.00 C ATOM 1557 O LEU A 101 93.277 1.419 -3.530 1.00 0.00 O ATOM 1558 CB LEU A 101 91.913 2.114 -1.276 1.00 0.00 C ATOM 1559 CG LEU A 101 91.498 2.682 0.079 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.037 3.136 0.016 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.658 1.603 1.154 1.00 0.00 C ATOM 0 H LEU A 101 93.971 3.304 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 101 93.109 0.494 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.994 2.916 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.154 1.423 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 101 92.130 3.535 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.740 3.542 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.928 3.905 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.402 2.285 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.362 2.007 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 101 91.027 0.749 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.699 1.284 1.197 1.00 0.00 H new ATOM 1573 N ALA A 102 94.879 0.286 -2.553 1.00 0.00 N ATOM 1574 CA ALA A 102 95.487 -0.081 -3.868 1.00 0.00 C ATOM 1575 C ALA A 102 95.037 -1.465 -4.338 1.00 0.00 C ATOM 1576 O ALA A 102 95.033 -1.746 -5.521 1.00 0.00 O ATOM 1577 CB ALA A 102 97.014 -0.091 -3.735 1.00 0.00 C ATOM 0 H ALA A 102 95.365 -0.079 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 102 95.160 0.658 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.461 -0.358 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.360 0.899 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.309 -0.821 -2.981 1.00 0.00 H new ATOM 1583 N TYR A 103 94.702 -2.349 -3.442 1.00 0.00 N ATOM 1584 CA TYR A 103 94.312 -3.713 -3.889 1.00 0.00 C ATOM 1585 C TYR A 103 92.861 -4.031 -3.515 1.00 0.00 C ATOM 1586 O TYR A 103 92.457 -3.871 -2.379 1.00 0.00 O ATOM 1587 CB TYR A 103 95.226 -4.731 -3.210 1.00 0.00 C ATOM 1588 CG TYR A 103 96.642 -4.511 -3.669 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.112 -5.160 -4.815 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.486 -3.657 -2.948 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.426 -4.956 -5.241 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.802 -3.453 -3.376 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.271 -4.102 -4.521 1.00 0.00 C ATOM 1594 OH TYR A 103 100.567 -3.901 -4.941 1.00 0.00 O ATOM 0 H TYR A 103 94.681 -2.190 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 103 94.407 -3.760 -4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.163 -4.628 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.906 -5.744 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.460 -5.818 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.121 -3.157 -2.063 1.00 0.00 H new ATOM 0 HE1 TYR A 103 98.791 -5.457 -6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.455 -2.795 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 103 101.016 -3.280 -4.330 1.00 0.00 H new ATOM 1604 N PRO A 104 92.091 -4.515 -4.463 1.00 0.00 N ATOM 1605 CA PRO A 104 90.676 -4.910 -4.227 1.00 0.00 C ATOM 1606 C PRO A 104 90.599 -6.229 -3.455 1.00 0.00 C ATOM 1607 O PRO A 104 91.494 -7.046 -3.518 1.00 0.00 O ATOM 1608 CB PRO A 104 90.096 -5.087 -5.626 1.00 0.00 C ATOM 1609 CG PRO A 104 91.258 -5.361 -6.521 1.00 0.00 C ATOM 1610 CD PRO A 104 92.490 -4.735 -5.863 1.00 0.00 C ATOM 0 HA PRO A 104 90.137 -4.171 -3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.382 -5.910 -5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.562 -4.191 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.396 -6.434 -6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.091 -4.935 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.354 -5.396 -5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.766 -3.799 -6.348 1.00 0.00 H new ATOM 1618 N VAL A 105 89.542 -6.443 -2.729 1.00 0.00 N ATOM 1619 CA VAL A 105 89.424 -7.711 -1.958 1.00 0.00 C ATOM 1620 C VAL A 105 89.048 -8.856 -2.899 1.00 0.00 C ATOM 1621 O VAL A 105 89.418 -9.994 -2.687 1.00 0.00 O ATOM 1622 CB VAL A 105 88.364 -7.542 -0.874 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.037 -7.126 -1.503 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.168 -8.863 -0.135 1.00 0.00 C ATOM 0 H VAL A 105 88.757 -5.799 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 105 90.379 -7.948 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 105 88.695 -6.773 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.286 -7.007 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.165 -6.181 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.712 -7.892 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.410 -8.738 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.845 -9.629 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.109 -9.166 0.324 1.00 0.00 H new ATOM 1634 N TYR A 106 88.321 -8.561 -3.938 1.00 0.00 N ATOM 1635 CA TYR A 106 87.921 -9.623 -4.903 1.00 0.00 C ATOM 1636 C TYR A 106 88.598 -9.362 -6.242 1.00 0.00 C ATOM 1637 O TYR A 106 87.958 -9.281 -7.272 1.00 0.00 O ATOM 1638 CB TYR A 106 86.402 -9.620 -5.073 1.00 0.00 C ATOM 1639 CG TYR A 106 85.778 -10.269 -3.864 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.858 -11.658 -3.690 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.135 -9.481 -2.904 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.297 -12.253 -2.556 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.570 -10.078 -1.774 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.654 -11.462 -1.598 1.00 0.00 C ATOM 1645 OH TYR A 106 84.105 -12.048 -0.478 1.00 0.00 O ATOM 0 H TYR A 106 87.984 -7.625 -4.163 1.00 0.00 H new ATOM 0 HA TYR A 106 88.230 -10.598 -4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.036 -8.599 -5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.122 -10.159 -5.978 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.353 -12.268 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.075 -8.411 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.360 -13.323 -2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.068 -9.470 -1.036 1.00 0.00 H new ATOM 0 HH TYR A 106 84.615 -12.852 -0.246 1.00 0.00 H new ATOM 1655 N ALA A 107 89.895 -9.228 -6.224 1.00 0.00 N ATOM 1656 CA ALA A 107 90.650 -8.969 -7.479 1.00 0.00 C ATOM 1657 C ALA A 107 90.480 -10.142 -8.439 1.00 0.00 C ATOM 1658 O ALA A 107 90.552 -11.292 -8.053 1.00 0.00 O ATOM 1659 CB ALA A 107 92.135 -8.812 -7.151 1.00 0.00 C ATOM 0 H ALA A 107 90.469 -9.288 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 107 90.269 -8.059 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.692 -8.622 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.270 -7.976 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.503 -9.726 -6.686 1.00 0.00 H new ATOM 1665 N GLN A 108 90.264 -9.867 -9.689 1.00 0.00 N ATOM 1666 CA GLN A 108 90.105 -10.973 -10.662 1.00 0.00 C ATOM 1667 C GLN A 108 91.491 -11.501 -11.054 1.00 0.00 C ATOM 1668 O GLN A 108 91.611 -12.463 -11.781 1.00 0.00 O ATOM 1669 CB GLN A 108 89.368 -10.451 -11.892 1.00 0.00 C ATOM 1670 CG GLN A 108 87.981 -9.948 -11.472 1.00 0.00 C ATOM 1671 CD GLN A 108 87.091 -11.134 -11.065 1.00 0.00 C ATOM 1672 OE1 GLN A 108 86.666 -11.228 -9.929 1.00 0.00 O ATOM 1673 NE2 GLN A 108 86.785 -12.049 -11.949 1.00 0.00 N ATOM 0 H GLN A 108 90.191 -8.927 -10.078 1.00 0.00 H new ATOM 0 HA GLN A 108 89.529 -11.786 -10.220 1.00 0.00 H new ATOM 0 HB2 GLN A 108 89.936 -9.644 -12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 108 89.272 -11.242 -12.636 1.00 0.00 H new ATOM 0 HG2 GLN A 108 88.075 -9.251 -10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 108 87.519 -9.402 -12.294 1.00 0.00 H new ATOM 0 HE21 GLN A 108 87.139 -11.975 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 108 86.193 -12.836 -11.684 1.00 0.00 H new ATOM 1682 N GLN A 109 92.546 -10.880 -10.570 1.00 0.00 N ATOM 1683 CA GLN A 109 93.917 -11.364 -10.921 1.00 0.00 C ATOM 1684 C GLN A 109 94.185 -12.672 -10.182 1.00 0.00 C ATOM 1685 O GLN A 109 93.773 -12.853 -9.052 1.00 0.00 O ATOM 1686 CB GLN A 109 94.972 -10.332 -10.508 1.00 0.00 C ATOM 1687 CG GLN A 109 94.725 -9.015 -11.240 1.00 0.00 C ATOM 1688 CD GLN A 109 95.710 -7.966 -10.719 1.00 0.00 C ATOM 1689 OE1 GLN A 109 96.429 -8.217 -9.772 1.00 0.00 O ATOM 1690 NE2 GLN A 109 95.771 -6.792 -11.286 1.00 0.00 N ATOM 0 H GLN A 109 92.514 -10.068 -9.954 1.00 0.00 H new ATOM 0 HA GLN A 109 93.974 -11.517 -11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 109 94.934 -10.172 -9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 109 95.969 -10.706 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 109 94.852 -9.151 -12.314 1.00 0.00 H new ATOM 0 HG3 GLN A 109 93.700 -8.681 -11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 109 95.169 -6.578 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 109 96.421 -6.089 -10.934 1.00 0.00 H new ATOM 1699 N ARG A 110 94.868 -13.585 -10.812 1.00 0.00 N ATOM 1700 CA ARG A 110 95.161 -14.888 -10.156 1.00 0.00 C ATOM 1701 C ARG A 110 93.842 -15.576 -9.797 1.00 0.00 C ATOM 1702 O ARG A 110 93.639 -16.019 -8.684 1.00 0.00 O ATOM 1703 CB ARG A 110 95.999 -14.665 -8.891 1.00 0.00 C ATOM 1704 CG ARG A 110 97.381 -14.120 -9.279 1.00 0.00 C ATOM 1705 CD ARG A 110 98.147 -15.183 -10.074 1.00 0.00 C ATOM 1706 NE ARG A 110 99.570 -15.250 -9.612 1.00 0.00 N ATOM 1707 CZ ARG A 110 100.262 -14.162 -9.391 1.00 0.00 C ATOM 1708 NH1 ARG A 110 99.740 -12.988 -9.619 1.00 0.00 N ATOM 1709 NH2 ARG A 110 101.491 -14.253 -8.958 1.00 0.00 N ATOM 0 H ARG A 110 95.238 -13.484 -11.757 1.00 0.00 H new ATOM 0 HA ARG A 110 95.728 -15.520 -10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 110 95.494 -13.964 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 110 96.107 -15.602 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 110 97.272 -13.214 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 110 97.940 -13.847 -8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 110 97.670 -16.155 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 110 98.113 -14.947 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 110 100.007 -16.160 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 110 98.786 -12.914 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 110 100.286 -12.144 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 110 101.907 -15.170 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 110 102.034 -13.407 -8.784 1.00 0.00 H new ATOM 1723 N ARG A 111 92.941 -15.668 -10.740 1.00 0.00 N ATOM 1724 CA ARG A 111 91.636 -16.329 -10.460 1.00 0.00 C ATOM 1725 C ARG A 111 91.681 -17.775 -10.964 1.00 0.00 C ATOM 1726 O ARG A 111 91.286 -18.003 -12.095 1.00 0.00 O ATOM 1727 CB ARG A 111 90.516 -15.567 -11.172 1.00 0.00 C ATOM 1728 CG ARG A 111 89.189 -16.280 -10.935 1.00 0.00 C ATOM 1729 CD ARG A 111 88.086 -15.541 -11.685 1.00 0.00 C ATOM 1730 NE ARG A 111 86.856 -15.462 -10.837 1.00 0.00 N ATOM 1731 CZ ARG A 111 86.409 -16.510 -10.192 1.00 0.00 C ATOM 1732 NH1 ARG A 111 87.005 -17.666 -10.306 1.00 0.00 N ATOM 1733 NH2 ARG A 111 85.342 -16.400 -9.442 1.00 0.00 N ATOM 1734 OXT ARG A 111 92.114 -18.629 -10.206 1.00 0.00 O ATOM 0 H ARG A 111 93.054 -15.314 -11.690 1.00 0.00 H new ATOM 0 HA ARG A 111 91.446 -16.327 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 111 90.463 -14.544 -10.800 1.00 0.00 H new ATOM 0 HB3 ARG A 111 90.724 -15.507 -12.240 1.00 0.00 H new ATOM 0 HG2 ARG A 111 89.250 -17.313 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 111 88.964 -16.311 -9.869 1.00 0.00 H new ATOM 0 HD2 ARG A 111 88.422 -14.538 -11.947 1.00 0.00 H new ATOM 0 HD3 ARG A 111 87.862 -16.056 -12.619 1.00 0.00 H new ATOM 0 HE ARG A 111 86.357 -14.576 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 111 87.827 -17.759 -10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 111 86.648 -18.476 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 111 84.865 -15.502 -9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 111 84.988 -17.212 -8.937 1.00 0.00 H new TER 1748 ARG A 111