USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 85 ASN : amide:sc= 0.315 K(o=-3.7,f=-3.1) USER MOD Set 1.2: A 101 GLN : amide:sc= -4.01! C(o=-3.7!,f=-3.1!) USER MOD Set 2.1: A 16 ASN : amide:sc= -0.215 K(o=2,f=1.1) USER MOD Set 2.2: A 58 THR OG1 : rot 68:sc= 1.22 USER MOD Set 2.3: A 79 TYR OH : rot -162:sc= 0.976 USER MOD Set 3.1: A 42 ASN : amide:sc= 0.658 K(o=1.8,f=-2.3) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 148:sc= 1.18 (180deg=0.215) USER MOD Set 4.1: A 18 ASN : amide:sc= -2.97! C(o=-5.9!,f=-4.2!) USER MOD Set 4.2: A 20 CYS SG : rot -125:sc= -2.73! USER MOD Set 4.3: A 27 TYR OH : rot 23:sc= 0.672 USER MOD Set 4.4: A 51 GLN : amide:sc= -0.866! K(o=-5.9!,f=-4.8) USER MOD Set 5.1: A 19 THR OG1 : rot -150:sc= 0.543 USER MOD Set 5.2: A 54 LYS NZ :NH3+ 167:sc= 0.598 (180deg=0) USER MOD Set 6.1: A 13 GLN : amide:sc= 0.137 K(o=-0.33,f=1.2) USER MOD Set 6.2: A 15 GLN : amide:sc= -0.47 K(o=-0.33,f=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 1.15 (180deg=-0.279!) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.44) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0731 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -75:sc= 0.426 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.135 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= 0.367 (180deg=0.15) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.00946 (180deg=0) USER MOD Single : A 53 CYS SG : rot 151:sc= 0.966 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0961 USER MOD Single : A 59 SER OG : rot 39:sc= -0.641 USER MOD Single : A 61 THR OG1 : rot -160:sc= 0.626 USER MOD Single : A 64 THR OG1 : rot -99:sc= 0.315 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -111:sc= 0.154 (180deg=-2.19!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.8!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 78:sc= 0.264 USER MOD Single : A 97 THR OG1 : rot 89:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.218 7.636 16.868 1.00 30.14 N ATOM 2 CA MET A 1 -28.144 6.758 16.117 1.00 14.01 C ATOM 3 C MET A 1 -27.755 5.276 16.311 1.00 22.52 C ATOM 4 O MET A 1 -26.635 4.873 15.978 1.00 43.40 O ATOM 5 CB MET A 1 -28.187 7.152 14.605 1.00 64.11 C ATOM 6 CG MET A 1 -26.835 7.164 13.866 1.00 51.21 C ATOM 7 SD MET A 1 -25.669 8.385 14.529 1.00 33.13 S ATOM 8 CE MET A 1 -24.189 8.057 13.561 1.00 52.32 C ATOM 0 H1 MET A 1 -27.752 8.179 17.576 1.00 30.14 H new ATOM 0 H2 MET A 1 -26.500 7.055 17.346 1.00 30.14 H new ATOM 0 H3 MET A 1 -26.751 8.292 16.210 1.00 30.14 H new ATOM 0 HA MET A 1 -29.150 6.894 16.513 1.00 14.01 H new ATOM 0 HB2 MET A 1 -28.853 6.460 14.090 1.00 64.11 H new ATOM 0 HB3 MET A 1 -28.632 8.144 14.522 1.00 64.11 H new ATOM 0 HG2 MET A 1 -26.386 6.172 13.927 1.00 51.21 H new ATOM 0 HG3 MET A 1 -27.007 7.372 12.810 1.00 51.21 H new ATOM 0 HE1 MET A 1 -23.395 8.738 13.868 1.00 52.32 H new ATOM 0 HE2 MET A 1 -23.868 7.028 13.725 1.00 52.32 H new ATOM 0 HE3 MET A 1 -24.406 8.205 12.503 1.00 52.32 H new ATOM 20 N HIS A 2 -28.678 4.482 16.895 1.00 54.04 N ATOM 21 CA HIS A 2 -28.472 3.026 17.089 1.00 2.22 C ATOM 22 C HIS A 2 -28.768 2.264 15.786 1.00 11.11 C ATOM 23 O HIS A 2 -28.262 1.163 15.579 1.00 12.31 O ATOM 24 CB HIS A 2 -29.330 2.474 18.264 1.00 53.33 C ATOM 25 CG HIS A 2 -30.805 2.286 17.981 1.00 42.12 C ATOM 26 ND1 HIS A 2 -31.445 1.069 18.105 1.00 62.13 N ATOM 27 CD2 HIS A 2 -31.762 3.160 17.588 1.00 74.33 C ATOM 28 CE1 HIS A 2 -32.717 1.209 17.798 1.00 2.53 C ATOM 29 NE2 HIS A 2 -32.937 2.466 17.483 1.00 40.35 N ATOM 0 H HIS A 2 -29.575 4.823 17.241 1.00 54.04 H new ATOM 0 HA HIS A 2 -27.426 2.870 17.353 1.00 2.22 H new ATOM 0 HB2 HIS A 2 -28.915 1.514 18.571 1.00 53.33 H new ATOM 0 HB3 HIS A 2 -29.227 3.151 19.112 1.00 53.33 H new ATOM 0 HD2 HIS A 2 -31.623 4.213 17.393 1.00 74.33 H new ATOM 0 HE1 HIS A 2 -33.457 0.422 17.804 1.00 2.53 H new ATOM 0 HE2 HIS A 2 -33.836 2.860 17.206 1.00 40.35 H new ATOM 38 N HIS A 3 -29.621 2.870 14.933 1.00 23.43 N ATOM 39 CA HIS A 3 -29.922 2.368 13.585 1.00 1.43 C ATOM 40 C HIS A 3 -28.702 2.661 12.686 1.00 50.04 C ATOM 41 O HIS A 3 -28.643 3.687 12.003 1.00 21.32 O ATOM 42 CB HIS A 3 -31.229 3.043 13.052 1.00 51.10 C ATOM 43 CG HIS A 3 -31.782 2.496 11.752 1.00 52.14 C ATOM 44 ND1 HIS A 3 -32.992 1.835 11.672 1.00 30.23 N ATOM 45 CD2 HIS A 3 -31.323 2.562 10.477 1.00 3.11 C ATOM 46 CE1 HIS A 3 -33.245 1.525 10.419 1.00 32.43 C ATOM 47 NE2 HIS A 3 -32.252 1.954 9.678 1.00 65.53 N ATOM 0 H HIS A 3 -30.121 3.728 15.167 1.00 23.43 H new ATOM 0 HA HIS A 3 -30.101 1.293 13.592 1.00 1.43 H new ATOM 0 HB2 HIS A 3 -31.999 2.951 13.818 1.00 51.10 H new ATOM 0 HB3 HIS A 3 -31.036 4.108 12.921 1.00 51.10 H new ATOM 0 HD2 HIS A 3 -30.396 3.011 10.153 1.00 3.11 H new ATOM 0 HE1 HIS A 3 -34.122 1.005 10.061 1.00 32.43 H new ATOM 0 HE2 HIS A 3 -32.183 1.851 8.666 1.00 65.53 H new ATOM 56 N HIS A 4 -27.697 1.784 12.782 1.00 21.12 N ATOM 57 CA HIS A 4 -26.442 1.881 12.026 1.00 41.20 C ATOM 58 C HIS A 4 -26.598 1.062 10.742 1.00 1.11 C ATOM 59 O HIS A 4 -26.632 -0.174 10.803 1.00 43.31 O ATOM 60 CB HIS A 4 -25.272 1.349 12.905 1.00 3.12 C ATOM 61 CG HIS A 4 -23.895 1.404 12.276 1.00 44.34 C ATOM 62 ND1 HIS A 4 -22.981 2.404 12.538 1.00 63.45 N ATOM 63 CD2 HIS A 4 -23.268 0.555 11.427 1.00 54.42 C ATOM 64 CE1 HIS A 4 -21.863 2.167 11.882 1.00 11.30 C ATOM 65 NE2 HIS A 4 -22.010 1.049 11.200 1.00 63.23 N ATOM 0 H HIS A 4 -27.733 0.972 13.398 1.00 21.12 H new ATOM 0 HA HIS A 4 -26.217 2.914 11.762 1.00 41.20 H new ATOM 0 HB2 HIS A 4 -25.250 1.922 13.832 1.00 3.12 H new ATOM 0 HB3 HIS A 4 -25.486 0.315 13.174 1.00 3.12 H new ATOM 0 HD2 HIS A 4 -23.684 -0.348 11.005 1.00 54.42 H new ATOM 0 HE1 HIS A 4 -20.977 2.784 11.900 1.00 11.30 H new ATOM 0 HE2 HIS A 4 -21.303 0.621 10.601 1.00 63.23 H new ATOM 74 N HIS A 5 -26.740 1.754 9.593 1.00 32.21 N ATOM 75 CA HIS A 5 -26.882 1.099 8.282 1.00 44.51 C ATOM 76 C HIS A 5 -25.622 0.272 7.962 1.00 24.13 C ATOM 77 O HIS A 5 -24.489 0.752 8.143 1.00 53.42 O ATOM 78 CB HIS A 5 -27.180 2.133 7.156 1.00 51.24 C ATOM 79 CG HIS A 5 -26.086 3.140 6.873 1.00 41.14 C ATOM 80 ND1 HIS A 5 -26.041 4.389 7.460 1.00 43.35 N ATOM 81 CD2 HIS A 5 -25.007 3.088 6.047 1.00 21.34 C ATOM 82 CE1 HIS A 5 -24.993 5.046 7.011 1.00 61.22 C ATOM 83 NE2 HIS A 5 -24.351 4.280 6.155 1.00 74.25 N ATOM 0 H HIS A 5 -26.759 2.773 9.550 1.00 32.21 H new ATOM 0 HA HIS A 5 -27.736 0.423 8.330 1.00 44.51 H new ATOM 0 HB2 HIS A 5 -27.391 1.588 6.236 1.00 51.24 H new ATOM 0 HB3 HIS A 5 -28.087 2.676 7.420 1.00 51.24 H new ATOM 0 HD2 HIS A 5 -24.721 2.256 5.420 1.00 21.34 H new ATOM 0 HE1 HIS A 5 -24.707 6.047 7.297 1.00 61.22 H new ATOM 0 HE2 HIS A 5 -23.501 4.536 5.653 1.00 74.25 H new ATOM 92 N HIS A 6 -25.822 -0.978 7.525 1.00 52.22 N ATOM 93 CA HIS A 6 -24.718 -1.898 7.233 1.00 73.14 C ATOM 94 C HIS A 6 -24.256 -1.683 5.782 1.00 4.43 C ATOM 95 O HIS A 6 -24.787 -2.306 4.851 1.00 24.33 O ATOM 96 CB HIS A 6 -25.144 -3.375 7.485 1.00 4.41 C ATOM 97 CG HIS A 6 -23.985 -4.351 7.543 1.00 22.41 C ATOM 98 ND1 HIS A 6 -23.464 -4.819 8.731 1.00 72.12 N ATOM 99 CD2 HIS A 6 -23.235 -4.926 6.564 1.00 55.25 C ATOM 100 CE1 HIS A 6 -22.454 -5.624 8.484 1.00 52.34 C ATOM 101 NE2 HIS A 6 -22.292 -5.708 7.179 1.00 65.33 N ATOM 0 H HIS A 6 -26.747 -1.377 7.365 1.00 52.22 H new ATOM 0 HA HIS A 6 -23.884 -1.690 7.903 1.00 73.14 H new ATOM 0 HB2 HIS A 6 -25.697 -3.428 8.423 1.00 4.41 H new ATOM 0 HB3 HIS A 6 -25.827 -3.685 6.694 1.00 4.41 H new ATOM 0 HD2 HIS A 6 -23.360 -4.791 5.500 1.00 55.25 H new ATOM 0 HE1 HIS A 6 -21.857 -6.132 9.227 1.00 52.34 H new ATOM 0 HE2 HIS A 6 -21.581 -6.264 6.704 1.00 65.33 H new ATOM 110 N HIS A 7 -23.300 -0.755 5.591 1.00 15.24 N ATOM 111 CA HIS A 7 -22.718 -0.486 4.267 1.00 45.22 C ATOM 112 C HIS A 7 -21.840 -1.693 3.852 1.00 12.43 C ATOM 113 O HIS A 7 -20.661 -1.786 4.215 1.00 5.44 O ATOM 114 CB HIS A 7 -21.940 0.877 4.238 1.00 54.40 C ATOM 115 CG HIS A 7 -20.689 0.952 5.089 1.00 73.51 C ATOM 116 ND1 HIS A 7 -19.414 0.954 4.550 1.00 32.24 N ATOM 117 CD2 HIS A 7 -20.517 0.980 6.434 1.00 2.13 C ATOM 118 CE1 HIS A 7 -18.527 0.989 5.522 1.00 74.11 C ATOM 119 NE2 HIS A 7 -19.171 1.006 6.672 1.00 31.13 N ATOM 0 H HIS A 7 -22.915 -0.179 6.340 1.00 15.24 H new ATOM 0 HA HIS A 7 -23.516 -0.374 3.533 1.00 45.22 H new ATOM 0 HB2 HIS A 7 -21.665 1.093 3.205 1.00 54.40 H new ATOM 0 HB3 HIS A 7 -22.620 1.666 4.558 1.00 54.40 H new ATOM 0 HD2 HIS A 7 -21.299 0.981 7.179 1.00 2.13 H new ATOM 0 HE1 HIS A 7 -17.454 1.002 5.398 1.00 74.11 H new ATOM 0 HE2 HIS A 7 -18.734 1.034 7.593 1.00 31.13 H new ATOM 128 N ARG A 8 -22.473 -2.678 3.173 1.00 51.21 N ATOM 129 CA ARG A 8 -21.784 -3.894 2.700 1.00 53.24 C ATOM 130 C ARG A 8 -20.908 -3.536 1.484 1.00 13.43 C ATOM 131 O ARG A 8 -21.299 -3.714 0.324 1.00 61.44 O ATOM 132 CB ARG A 8 -22.793 -5.030 2.356 1.00 44.22 C ATOM 133 CG ARG A 8 -22.112 -6.379 1.996 1.00 55.14 C ATOM 134 CD ARG A 8 -23.008 -7.306 1.156 1.00 43.20 C ATOM 135 NE ARG A 8 -22.277 -8.466 0.616 1.00 72.43 N ATOM 136 CZ ARG A 8 -21.377 -8.424 -0.384 1.00 10.33 C ATOM 137 NH1 ARG A 8 -21.069 -7.276 -0.990 1.00 53.33 N ATOM 138 NH2 ARG A 8 -20.825 -9.552 -0.800 1.00 23.11 N ATOM 0 H ARG A 8 -23.466 -2.650 2.941 1.00 51.21 H new ATOM 0 HA ARG A 8 -21.150 -4.274 3.501 1.00 53.24 H new ATOM 0 HB2 ARG A 8 -23.458 -5.184 3.206 1.00 44.22 H new ATOM 0 HB3 ARG A 8 -23.414 -4.711 1.519 1.00 44.22 H new ATOM 0 HG2 ARG A 8 -21.192 -6.179 1.447 1.00 55.14 H new ATOM 0 HG3 ARG A 8 -21.830 -6.893 2.915 1.00 55.14 H new ATOM 0 HD2 ARG A 8 -23.837 -7.658 1.770 1.00 43.20 H new ATOM 0 HD3 ARG A 8 -23.440 -6.738 0.332 1.00 43.20 H new ATOM 0 HE ARG A 8 -22.469 -9.376 1.035 1.00 72.43 H new ATOM 0 HH11 ARG A 8 -21.518 -6.408 -0.697 1.00 53.33 H new ATOM 0 HH12 ARG A 8 -20.384 -7.266 -1.746 1.00 53.33 H new ATOM 0 HH21 ARG A 8 -21.083 -10.437 -0.364 1.00 23.11 H new ATOM 0 HH22 ARG A 8 -20.141 -9.536 -1.557 1.00 23.11 H new ATOM 152 N SER A 9 -19.743 -2.972 1.792 1.00 65.04 N ATOM 153 CA SER A 9 -18.771 -2.479 0.817 1.00 15.33 C ATOM 154 C SER A 9 -17.433 -2.262 1.536 1.00 11.32 C ATOM 155 O SER A 9 -17.355 -2.320 2.784 1.00 61.24 O ATOM 156 CB SER A 9 -19.274 -1.160 0.154 1.00 4.11 C ATOM 157 OG SER A 9 -18.372 -0.688 -0.838 1.00 42.34 O ATOM 0 H SER A 9 -19.439 -2.841 2.757 1.00 65.04 H new ATOM 0 HA SER A 9 -18.642 -3.210 0.019 1.00 15.33 H new ATOM 0 HB2 SER A 9 -20.252 -1.330 -0.296 1.00 4.11 H new ATOM 0 HB3 SER A 9 -19.404 -0.395 0.920 1.00 4.11 H new ATOM 0 HG SER A 9 -18.722 0.139 -1.232 1.00 42.34 H new ATOM 163 N GLY A 10 -16.391 -2.021 0.746 1.00 5.33 N ATOM 164 CA GLY A 10 -15.060 -1.801 1.270 1.00 23.15 C ATOM 165 C GLY A 10 -14.042 -1.757 0.166 1.00 54.30 C ATOM 166 O GLY A 10 -13.128 -2.592 0.117 1.00 1.01 O ATOM 0 H GLY A 10 -16.452 -1.974 -0.271 1.00 5.33 H new ATOM 0 HA2 GLY A 10 -15.036 -0.865 1.828 1.00 23.15 H new ATOM 0 HA3 GLY A 10 -14.806 -2.596 1.971 1.00 23.15 H new ATOM 170 N ASP A 11 -14.222 -0.778 -0.738 1.00 15.24 N ATOM 171 CA ASP A 11 -13.290 -0.520 -1.845 1.00 54.20 C ATOM 172 C ASP A 11 -11.921 -0.102 -1.291 1.00 34.11 C ATOM 173 O ASP A 11 -11.842 0.598 -0.269 1.00 52.32 O ATOM 174 CB ASP A 11 -13.839 0.576 -2.791 1.00 51.12 C ATOM 175 CG ASP A 11 -15.202 0.206 -3.395 1.00 41.11 C ATOM 176 OD1 ASP A 11 -16.234 0.423 -2.723 1.00 74.40 O ATOM 177 OD2 ASP A 11 -15.249 -0.315 -4.536 1.00 11.25 O ATOM 0 H ASP A 11 -15.020 -0.143 -0.720 1.00 15.24 H new ATOM 0 HA ASP A 11 -13.180 -1.439 -2.420 1.00 54.20 H new ATOM 0 HB2 ASP A 11 -13.932 1.513 -2.241 1.00 51.12 H new ATOM 0 HB3 ASP A 11 -13.124 0.748 -3.595 1.00 51.12 H new ATOM 182 N ILE A 12 -10.863 -0.539 -1.973 1.00 23.13 N ATOM 183 CA ILE A 12 -9.486 -0.370 -1.508 1.00 13.23 C ATOM 184 C ILE A 12 -9.057 1.108 -1.679 1.00 41.44 C ATOM 185 O ILE A 12 -8.769 1.557 -2.790 1.00 41.41 O ATOM 186 CB ILE A 12 -8.524 -1.314 -2.321 1.00 51.00 C ATOM 187 CG1 ILE A 12 -9.056 -2.785 -2.356 1.00 32.42 C ATOM 188 CG2 ILE A 12 -7.092 -1.259 -1.760 1.00 41.40 C ATOM 189 CD1 ILE A 12 -8.346 -3.698 -3.351 1.00 54.52 C ATOM 0 H ILE A 12 -10.937 -1.023 -2.868 1.00 23.13 H new ATOM 0 HA ILE A 12 -9.427 -0.637 -0.453 1.00 13.23 H new ATOM 0 HB ILE A 12 -8.499 -0.950 -3.348 1.00 51.00 H new ATOM 0 HG12 ILE A 12 -8.962 -3.215 -1.359 1.00 32.42 H new ATOM 0 HG13 ILE A 12 -10.119 -2.767 -2.596 1.00 32.42 H new ATOM 0 HG21 ILE A 12 -6.448 -1.920 -2.340 1.00 41.40 H new ATOM 0 HG22 ILE A 12 -6.715 -0.238 -1.824 1.00 41.40 H new ATOM 0 HG23 ILE A 12 -7.097 -1.579 -0.718 1.00 41.40 H new ATOM 0 HD11 ILE A 12 -8.782 -4.696 -3.304 1.00 54.52 H new ATOM 0 HD12 ILE A 12 -8.462 -3.298 -4.358 1.00 54.52 H new ATOM 0 HD13 ILE A 12 -7.286 -3.753 -3.102 1.00 54.52 H new ATOM 201 N GLN A 13 -9.051 1.856 -0.566 1.00 53.43 N ATOM 202 CA GLN A 13 -8.609 3.260 -0.535 1.00 43.50 C ATOM 203 C GLN A 13 -7.123 3.303 -0.131 1.00 41.14 C ATOM 204 O GLN A 13 -6.762 2.942 0.999 1.00 31.12 O ATOM 205 CB GLN A 13 -9.485 4.089 0.451 1.00 51.21 C ATOM 206 CG GLN A 13 -9.143 5.600 0.497 1.00 5.13 C ATOM 207 CD GLN A 13 -9.965 6.405 1.519 1.00 13.11 C ATOM 208 OE1 GLN A 13 -11.108 6.069 1.845 1.00 22.45 O ATOM 209 NE2 GLN A 13 -9.395 7.487 2.016 1.00 5.32 N ATOM 0 H GLN A 13 -9.354 1.504 0.342 1.00 53.43 H new ATOM 0 HA GLN A 13 -8.724 3.705 -1.523 1.00 43.50 H new ATOM 0 HB2 GLN A 13 -10.532 3.974 0.172 1.00 51.21 H new ATOM 0 HB3 GLN A 13 -9.375 3.673 1.453 1.00 51.21 H new ATOM 0 HG2 GLN A 13 -8.084 5.714 0.729 1.00 5.13 H new ATOM 0 HG3 GLN A 13 -9.299 6.026 -0.494 1.00 5.13 H new ATOM 0 HE21 GLN A 13 -8.450 7.742 1.730 1.00 5.32 H new ATOM 0 HE22 GLN A 13 -9.900 8.068 2.686 1.00 5.32 H new ATOM 218 N VAL A 14 -6.279 3.697 -1.089 1.00 15.22 N ATOM 219 CA VAL A 14 -4.824 3.800 -0.919 1.00 52.22 C ATOM 220 C VAL A 14 -4.425 5.280 -0.787 1.00 52.45 C ATOM 221 O VAL A 14 -4.814 6.106 -1.612 1.00 54.01 O ATOM 222 CB VAL A 14 -4.068 3.157 -2.147 1.00 21.52 C ATOM 223 CG1 VAL A 14 -2.536 3.129 -1.924 1.00 73.25 C ATOM 224 CG2 VAL A 14 -4.616 1.746 -2.451 1.00 33.54 C ATOM 0 H VAL A 14 -6.593 3.959 -2.024 1.00 15.22 H new ATOM 0 HA VAL A 14 -4.542 3.258 -0.016 1.00 52.22 H new ATOM 0 HB VAL A 14 -4.255 3.787 -3.017 1.00 21.52 H new ATOM 0 HG11 VAL A 14 -2.050 2.680 -2.790 1.00 73.25 H new ATOM 0 HG12 VAL A 14 -2.169 4.147 -1.790 1.00 73.25 H new ATOM 0 HG13 VAL A 14 -2.308 2.541 -1.035 1.00 73.25 H new ATOM 0 HG21 VAL A 14 -4.080 1.323 -3.301 1.00 33.54 H new ATOM 0 HG22 VAL A 14 -4.477 1.106 -1.579 1.00 33.54 H new ATOM 0 HG23 VAL A 14 -5.678 1.811 -2.688 1.00 33.54 H new ATOM 234 N GLN A 15 -3.673 5.608 0.265 1.00 72.43 N ATOM 235 CA GLN A 15 -3.081 6.942 0.471 1.00 53.31 C ATOM 236 C GLN A 15 -1.584 6.772 0.743 1.00 32.21 C ATOM 237 O GLN A 15 -1.163 5.740 1.262 1.00 65.20 O ATOM 238 CB GLN A 15 -3.745 7.681 1.667 1.00 22.20 C ATOM 239 CG GLN A 15 -5.262 7.945 1.524 1.00 73.25 C ATOM 240 CD GLN A 15 -5.877 8.768 2.668 1.00 13.33 C ATOM 241 OE1 GLN A 15 -7.034 8.573 3.033 1.00 15.15 O ATOM 242 NE2 GLN A 15 -5.132 9.719 3.214 1.00 64.50 N ATOM 0 H GLN A 15 -3.452 4.949 1.012 1.00 72.43 H new ATOM 0 HA GLN A 15 -3.246 7.542 -0.424 1.00 53.31 H new ATOM 0 HB2 GLN A 15 -3.579 7.095 2.571 1.00 22.20 H new ATOM 0 HB3 GLN A 15 -3.239 8.636 1.808 1.00 22.20 H new ATOM 0 HG2 GLN A 15 -5.440 8.465 0.583 1.00 73.25 H new ATOM 0 HG3 GLN A 15 -5.780 6.988 1.463 1.00 73.25 H new ATOM 0 HE21 GLN A 15 -4.174 9.863 2.895 1.00 64.50 H new ATOM 0 HE22 GLN A 15 -5.517 10.307 3.953 1.00 64.50 H new ATOM 251 N ASN A 16 -0.794 7.781 0.373 1.00 34.54 N ATOM 252 CA ASN A 16 0.635 7.857 0.700 1.00 71.44 C ATOM 253 C ASN A 16 0.900 9.247 1.290 1.00 43.21 C ATOM 254 O ASN A 16 0.666 10.267 0.631 1.00 24.21 O ATOM 255 CB ASN A 16 1.524 7.568 -0.540 1.00 53.25 C ATOM 256 CG ASN A 16 3.028 7.698 -0.254 1.00 51.32 C ATOM 257 OD1 ASN A 16 3.653 8.729 -0.518 1.00 31.32 O ATOM 258 ND2 ASN A 16 3.613 6.662 0.318 1.00 73.41 N ATOM 0 H ASN A 16 -1.130 8.578 -0.168 1.00 34.54 H new ATOM 0 HA ASN A 16 0.897 7.090 1.429 1.00 71.44 H new ATOM 0 HB2 ASN A 16 1.316 6.561 -0.901 1.00 53.25 H new ATOM 0 HB3 ASN A 16 1.253 8.256 -1.341 1.00 53.25 H new ATOM 0 HD21 ASN A 16 4.605 6.702 0.553 1.00 73.41 H new ATOM 0 HD22 ASN A 16 3.073 5.822 0.525 1.00 73.41 H new ATOM 265 N ASN A 17 1.355 9.268 2.542 1.00 71.45 N ATOM 266 CA ASN A 17 1.555 10.487 3.319 1.00 33.32 C ATOM 267 C ASN A 17 3.053 10.816 3.335 1.00 11.54 C ATOM 268 O ASN A 17 3.865 10.061 3.896 1.00 14.12 O ATOM 269 CB ASN A 17 1.000 10.260 4.743 1.00 64.21 C ATOM 270 CG ASN A 17 1.137 11.468 5.659 1.00 13.01 C ATOM 271 OD1 ASN A 17 2.118 11.600 6.398 1.00 4.24 O ATOM 272 ND2 ASN A 17 0.161 12.367 5.615 1.00 63.43 N ATOM 0 H ASN A 17 1.599 8.420 3.053 1.00 71.45 H new ATOM 0 HA ASN A 17 1.026 11.332 2.879 1.00 33.32 H new ATOM 0 HB2 ASN A 17 -0.053 9.987 4.673 1.00 64.21 H new ATOM 0 HB3 ASN A 17 1.519 9.414 5.194 1.00 64.21 H new ATOM 0 HD21 ASN A 17 0.207 13.199 6.203 1.00 63.43 H new ATOM 0 HD22 ASN A 17 -0.635 12.226 4.993 1.00 63.43 H new ATOM 279 N ASN A 18 3.391 11.907 2.640 1.00 11.44 N ATOM 280 CA ASN A 18 4.756 12.421 2.486 1.00 55.13 C ATOM 281 C ASN A 18 4.731 13.954 2.403 1.00 42.30 C ATOM 282 O ASN A 18 3.693 14.546 2.076 1.00 30.03 O ATOM 283 CB ASN A 18 5.409 11.852 1.194 1.00 43.33 C ATOM 284 CG ASN A 18 4.679 12.252 -0.112 1.00 71.15 C ATOM 285 OD1 ASN A 18 3.447 12.289 -0.185 1.00 54.43 O ATOM 286 ND2 ASN A 18 5.435 12.603 -1.135 1.00 74.14 N ATOM 0 H ASN A 18 2.699 12.476 2.153 1.00 11.44 H new ATOM 0 HA ASN A 18 5.341 12.108 3.351 1.00 55.13 H new ATOM 0 HB2 ASN A 18 6.442 12.196 1.140 1.00 43.33 H new ATOM 0 HB3 ASN A 18 5.438 10.765 1.263 1.00 43.33 H new ATOM 0 HD21 ASN A 18 5.003 12.912 -2.006 1.00 74.14 H new ATOM 0 HD22 ASN A 18 6.451 12.566 -1.055 1.00 74.14 H new ATOM 293 N THR A 19 5.869 14.596 2.691 1.00 1.13 N ATOM 294 CA THR A 19 6.087 15.996 2.307 1.00 51.23 C ATOM 295 C THR A 19 6.847 15.990 0.977 1.00 33.10 C ATOM 296 O THR A 19 8.016 15.588 0.922 1.00 72.34 O ATOM 297 CB THR A 19 6.892 16.779 3.392 1.00 11.33 C ATOM 298 OG1 THR A 19 6.248 16.633 4.667 1.00 31.05 O ATOM 299 CG2 THR A 19 7.028 18.282 3.066 1.00 65.20 C ATOM 0 H THR A 19 6.652 14.170 3.187 1.00 1.13 H new ATOM 0 HA THR A 19 5.127 16.503 2.209 1.00 51.23 H new ATOM 0 HB THR A 19 7.896 16.355 3.413 1.00 11.33 H new ATOM 0 HG1 THR A 19 6.415 17.431 5.211 1.00 31.05 H new ATOM 0 HG21 THR A 19 7.596 18.775 3.854 1.00 65.20 H new ATOM 0 HG22 THR A 19 7.547 18.403 2.115 1.00 65.20 H new ATOM 0 HG23 THR A 19 6.037 18.731 2.998 1.00 65.20 H new ATOM 307 N CYS A 20 6.167 16.401 -0.095 1.00 62.55 N ATOM 308 CA CYS A 20 6.722 16.389 -1.451 1.00 11.22 C ATOM 309 C CYS A 20 6.985 17.825 -1.909 1.00 53.13 C ATOM 310 O CYS A 20 6.040 18.607 -2.085 1.00 64.04 O ATOM 311 CB CYS A 20 5.749 15.677 -2.405 1.00 72.51 C ATOM 312 SG CYS A 20 6.347 15.510 -4.093 1.00 31.25 S ATOM 0 H CYS A 20 5.211 16.753 -0.047 1.00 62.55 H new ATOM 0 HA CYS A 20 7.667 15.845 -1.457 1.00 11.22 H new ATOM 0 HB2 CYS A 20 5.534 14.684 -2.010 1.00 72.51 H new ATOM 0 HB3 CYS A 20 4.807 16.226 -2.419 1.00 72.51 H new ATOM 0 HG CYS A 20 5.477 16.019 -4.914 1.00 31.25 H new ATOM 318 N ASN A 21 8.277 18.166 -2.059 1.00 42.21 N ATOM 319 CA ASN A 21 8.732 19.484 -2.532 1.00 12.41 C ATOM 320 C ASN A 21 8.522 19.583 -4.059 1.00 4.45 C ATOM 321 O ASN A 21 9.438 19.327 -4.853 1.00 72.22 O ATOM 322 CB ASN A 21 10.227 19.725 -2.150 1.00 14.51 C ATOM 323 CG ASN A 21 10.526 19.528 -0.660 1.00 41.41 C ATOM 324 OD1 ASN A 21 9.673 19.752 0.203 1.00 11.33 O ATOM 325 ND2 ASN A 21 11.745 19.102 -0.345 1.00 14.31 N ATOM 0 H ASN A 21 9.044 17.526 -1.852 1.00 42.21 H new ATOM 0 HA ASN A 21 8.143 20.262 -2.046 1.00 12.41 H new ATOM 0 HB2 ASN A 21 10.854 19.047 -2.729 1.00 14.51 H new ATOM 0 HB3 ASN A 21 10.506 20.739 -2.436 1.00 14.51 H new ATOM 0 HD21 ASN A 21 11.996 18.952 0.632 1.00 14.31 H new ATOM 0 HD22 ASN A 21 12.429 18.925 -1.080 1.00 14.31 H new ATOM 332 N GLY A 22 7.282 19.912 -4.449 1.00 62.20 N ATOM 333 CA GLY A 22 6.881 19.976 -5.851 1.00 71.21 C ATOM 334 C GLY A 22 5.401 20.294 -5.999 1.00 74.41 C ATOM 335 O GLY A 22 4.823 20.959 -5.136 1.00 13.45 O ATOM 0 H GLY A 22 6.532 20.140 -3.796 1.00 62.20 H new ATOM 0 HA2 GLY A 22 7.470 20.737 -6.363 1.00 71.21 H new ATOM 0 HA3 GLY A 22 7.099 19.024 -6.336 1.00 71.21 H new ATOM 339 N LYS A 23 4.787 19.817 -7.090 1.00 43.34 N ATOM 340 CA LYS A 23 3.340 19.992 -7.344 1.00 32.21 C ATOM 341 C LYS A 23 2.584 18.675 -7.089 1.00 23.33 C ATOM 342 O LYS A 23 1.391 18.698 -6.770 1.00 34.13 O ATOM 343 CB LYS A 23 3.113 20.506 -8.792 1.00 32.13 C ATOM 344 CG LYS A 23 1.637 20.812 -9.157 1.00 2.04 C ATOM 345 CD LYS A 23 1.486 21.423 -10.574 1.00 31.33 C ATOM 346 CE LYS A 23 1.969 20.483 -11.691 1.00 72.41 C ATOM 347 NZ LYS A 23 1.986 21.162 -13.019 1.00 11.20 N ATOM 0 H LYS A 23 5.273 19.300 -7.823 1.00 43.34 H new ATOM 0 HA LYS A 23 2.945 20.737 -6.654 1.00 32.21 H new ATOM 0 HB2 LYS A 23 3.702 21.412 -8.936 1.00 32.13 H new ATOM 0 HB3 LYS A 23 3.497 19.762 -9.490 1.00 32.13 H new ATOM 0 HG2 LYS A 23 1.054 19.893 -9.098 1.00 2.04 H new ATOM 0 HG3 LYS A 23 1.221 21.501 -8.422 1.00 2.04 H new ATOM 0 HD2 LYS A 23 0.439 21.673 -10.745 1.00 31.33 H new ATOM 0 HD3 LYS A 23 2.049 22.355 -10.623 1.00 31.33 H new ATOM 0 HE2 LYS A 23 2.970 20.122 -11.455 1.00 72.41 H new ATOM 0 HE3 LYS A 23 1.318 19.610 -11.738 1.00 72.41 H new ATOM 0 HZ1 LYS A 23 2.317 20.496 -13.745 1.00 11.20 H new ATOM 0 HZ2 LYS A 23 1.026 21.484 -13.257 1.00 11.20 H new ATOM 0 HZ3 LYS A 23 2.627 21.980 -12.982 1.00 11.20 H new ATOM 361 N THR A 24 3.275 17.526 -7.229 1.00 24.53 N ATOM 362 CA THR A 24 2.686 16.211 -6.923 1.00 63.02 C ATOM 363 C THR A 24 2.517 16.061 -5.389 1.00 62.42 C ATOM 364 O THR A 24 3.490 16.050 -4.639 1.00 63.21 O ATOM 365 CB THR A 24 3.508 15.013 -7.543 1.00 4.24 C ATOM 366 OG1 THR A 24 2.932 13.754 -7.141 1.00 44.41 O ATOM 367 CG2 THR A 24 5.003 15.041 -7.172 1.00 4.25 C ATOM 0 H THR A 24 4.242 17.484 -7.552 1.00 24.53 H new ATOM 0 HA THR A 24 1.704 16.166 -7.394 1.00 63.02 H new ATOM 0 HB THR A 24 3.448 15.128 -8.625 1.00 4.24 H new ATOM 0 HG1 THR A 24 3.162 13.573 -6.206 1.00 44.41 H new ATOM 0 HG21 THR A 24 5.508 14.191 -7.631 1.00 4.25 H new ATOM 0 HG22 THR A 24 5.450 15.967 -7.534 1.00 4.25 H new ATOM 0 HG23 THR A 24 5.110 14.985 -6.089 1.00 4.25 H new ATOM 375 N PHE A 25 1.254 16.035 -4.941 1.00 51.41 N ATOM 376 CA PHE A 25 0.892 15.856 -3.512 1.00 75.30 C ATOM 377 C PHE A 25 -0.431 15.054 -3.411 1.00 21.03 C ATOM 378 O PHE A 25 -0.949 14.795 -2.317 1.00 10.45 O ATOM 379 CB PHE A 25 0.787 17.253 -2.817 1.00 13.53 C ATOM 380 CG PHE A 25 1.046 17.229 -1.309 1.00 4.34 C ATOM 381 CD1 PHE A 25 2.353 17.195 -0.812 1.00 5.41 C ATOM 382 CD2 PHE A 25 -0.008 17.247 -0.390 1.00 25.42 C ATOM 383 CE1 PHE A 25 2.595 17.171 0.546 1.00 33.44 C ATOM 384 CE2 PHE A 25 0.238 17.224 0.972 1.00 75.23 C ATOM 385 CZ PHE A 25 1.538 17.187 1.437 1.00 74.33 C ATOM 0 H PHE A 25 0.446 16.137 -5.555 1.00 51.41 H new ATOM 0 HA PHE A 25 1.665 15.288 -2.995 1.00 75.30 H new ATOM 0 HB2 PHE A 25 1.499 17.933 -3.285 1.00 13.53 H new ATOM 0 HB3 PHE A 25 -0.208 17.661 -2.996 1.00 13.53 H new ATOM 0 HD1 PHE A 25 3.185 17.187 -1.501 1.00 5.41 H new ATOM 0 HD2 PHE A 25 -1.027 17.279 -0.747 1.00 25.42 H new ATOM 0 HE1 PHE A 25 3.610 17.140 0.913 1.00 33.44 H new ATOM 0 HE2 PHE A 25 -0.586 17.235 1.670 1.00 75.23 H new ATOM 0 HZ PHE A 25 1.729 17.171 2.500 1.00 74.33 H new ATOM 395 N ASP A 26 -0.924 14.625 -4.584 1.00 61.51 N ATOM 396 CA ASP A 26 -2.176 13.874 -4.762 1.00 14.22 C ATOM 397 C ASP A 26 -1.881 12.361 -4.793 1.00 24.30 C ATOM 398 O ASP A 26 -2.315 11.634 -5.691 1.00 20.14 O ATOM 399 CB ASP A 26 -2.889 14.368 -6.069 1.00 5.04 C ATOM 400 CG ASP A 26 -1.987 14.300 -7.328 1.00 45.41 C ATOM 401 OD1 ASP A 26 -1.056 15.137 -7.436 1.00 43.31 O ATOM 402 OD2 ASP A 26 -2.196 13.423 -8.204 1.00 74.21 O ATOM 0 H ASP A 26 -0.443 14.798 -5.467 1.00 61.51 H new ATOM 0 HA ASP A 26 -2.849 14.052 -3.924 1.00 14.22 H new ATOM 0 HB2 ASP A 26 -3.781 13.764 -6.237 1.00 5.04 H new ATOM 0 HB3 ASP A 26 -3.222 15.396 -5.925 1.00 5.04 H new ATOM 407 N TYR A 27 -1.159 11.890 -3.764 1.00 2.44 N ATOM 408 CA TYR A 27 -0.783 10.469 -3.594 1.00 40.24 C ATOM 409 C TYR A 27 -1.967 9.648 -3.001 1.00 40.25 C ATOM 410 O TYR A 27 -1.802 8.910 -2.030 1.00 13.01 O ATOM 411 CB TYR A 27 0.465 10.377 -2.664 1.00 41.20 C ATOM 412 CG TYR A 27 1.790 10.914 -3.234 1.00 2.31 C ATOM 413 CD1 TYR A 27 1.992 12.276 -3.453 1.00 12.53 C ATOM 414 CD2 TYR A 27 2.850 10.051 -3.523 1.00 74.51 C ATOM 415 CE1 TYR A 27 3.194 12.756 -3.936 1.00 74.15 C ATOM 416 CE2 TYR A 27 4.049 10.530 -4.008 1.00 0.44 C ATOM 417 CZ TYR A 27 4.217 11.881 -4.213 1.00 73.11 C ATOM 418 OH TYR A 27 5.418 12.366 -4.691 1.00 21.10 O ATOM 0 H TYR A 27 -0.813 12.489 -3.015 1.00 2.44 H new ATOM 0 HA TYR A 27 -0.541 10.046 -4.569 1.00 40.24 H new ATOM 0 HB2 TYR A 27 0.245 10.919 -1.744 1.00 41.20 H new ATOM 0 HB3 TYR A 27 0.610 9.332 -2.391 1.00 41.20 H new ATOM 0 HD1 TYR A 27 1.192 12.970 -3.241 1.00 12.53 H new ATOM 0 HD2 TYR A 27 2.728 8.990 -3.364 1.00 74.51 H new ATOM 0 HE1 TYR A 27 3.329 13.816 -4.095 1.00 74.15 H new ATOM 0 HE2 TYR A 27 4.855 9.846 -4.227 1.00 0.44 H new ATOM 0 HH TYR A 27 5.516 13.307 -4.435 1.00 21.10 H new ATOM 428 N THR A 28 -3.162 9.764 -3.606 1.00 64.42 N ATOM 429 CA THR A 28 -4.384 9.098 -3.122 1.00 14.54 C ATOM 430 C THR A 28 -5.143 8.491 -4.316 1.00 60.41 C ATOM 431 O THR A 28 -5.515 9.205 -5.255 1.00 20.22 O ATOM 432 CB THR A 28 -5.292 10.110 -2.336 1.00 23.54 C ATOM 433 OG1 THR A 28 -4.538 10.674 -1.244 1.00 43.31 O ATOM 434 CG2 THR A 28 -6.575 9.456 -1.773 1.00 72.34 C ATOM 0 H THR A 28 -3.308 10.324 -4.446 1.00 64.42 H new ATOM 0 HA THR A 28 -4.109 8.298 -2.435 1.00 14.54 H new ATOM 0 HB THR A 28 -5.601 10.880 -3.043 1.00 23.54 H new ATOM 0 HG1 THR A 28 -5.100 11.308 -0.751 1.00 43.31 H new ATOM 0 HG21 THR A 28 -7.161 10.205 -1.240 1.00 72.34 H new ATOM 0 HG22 THR A 28 -7.166 9.049 -2.593 1.00 72.34 H new ATOM 0 HG23 THR A 28 -6.303 8.653 -1.088 1.00 72.34 H new ATOM 442 N TYR A 29 -5.318 7.164 -4.279 1.00 40.50 N ATOM 443 CA TYR A 29 -6.076 6.392 -5.279 1.00 23.33 C ATOM 444 C TYR A 29 -7.178 5.603 -4.538 1.00 11.30 C ATOM 445 O TYR A 29 -7.032 5.320 -3.346 1.00 53.40 O ATOM 446 CB TYR A 29 -5.130 5.403 -6.033 1.00 22.21 C ATOM 447 CG TYR A 29 -3.858 6.044 -6.631 1.00 42.22 C ATOM 448 CD1 TYR A 29 -3.905 6.806 -7.804 1.00 25.33 C ATOM 449 CD2 TYR A 29 -2.606 5.870 -6.027 1.00 2.34 C ATOM 450 CE1 TYR A 29 -2.758 7.378 -8.336 1.00 61.34 C ATOM 451 CE2 TYR A 29 -1.457 6.443 -6.556 1.00 64.11 C ATOM 452 CZ TYR A 29 -1.536 7.189 -7.712 1.00 71.23 C ATOM 453 OH TYR A 29 -0.390 7.756 -8.246 1.00 61.12 O ATOM 0 H TYR A 29 -4.929 6.582 -3.537 1.00 40.50 H new ATOM 0 HA TYR A 29 -6.518 7.065 -6.013 1.00 23.33 H new ATOM 0 HB2 TYR A 29 -4.831 4.613 -5.344 1.00 22.21 H new ATOM 0 HB3 TYR A 29 -5.692 4.928 -6.837 1.00 22.21 H new ATOM 0 HD1 TYR A 29 -4.851 6.951 -8.304 1.00 25.33 H new ATOM 0 HD2 TYR A 29 -2.533 5.276 -5.128 1.00 2.34 H new ATOM 0 HE1 TYR A 29 -2.818 7.971 -9.237 1.00 61.34 H new ATOM 0 HE2 TYR A 29 -0.506 6.305 -6.064 1.00 64.11 H new ATOM 0 HH TYR A 29 0.380 7.527 -7.685 1.00 61.12 H new ATOM 463 N THR A 30 -8.284 5.294 -5.224 1.00 3.32 N ATOM 464 CA THR A 30 -9.310 4.366 -4.718 1.00 14.42 C ATOM 465 C THR A 30 -9.614 3.344 -5.818 1.00 42.12 C ATOM 466 O THR A 30 -10.224 3.684 -6.838 1.00 51.51 O ATOM 467 CB THR A 30 -10.613 5.116 -4.269 1.00 41.32 C ATOM 468 OG1 THR A 30 -10.279 6.098 -3.268 1.00 52.50 O ATOM 469 CG2 THR A 30 -11.682 4.149 -3.692 1.00 54.25 C ATOM 0 H THR A 30 -8.496 5.678 -6.145 1.00 3.32 H new ATOM 0 HA THR A 30 -8.929 3.861 -3.830 1.00 14.42 H new ATOM 0 HB THR A 30 -11.037 5.592 -5.153 1.00 41.32 H new ATOM 0 HG1 THR A 30 -11.092 6.569 -2.987 1.00 52.50 H new ATOM 0 HG21 THR A 30 -12.564 4.717 -3.396 1.00 54.25 H new ATOM 0 HG22 THR A 30 -11.959 3.418 -4.451 1.00 54.25 H new ATOM 0 HG23 THR A 30 -11.274 3.633 -2.823 1.00 54.25 H new ATOM 477 N VAL A 31 -9.126 2.111 -5.625 1.00 12.45 N ATOM 478 CA VAL A 31 -9.298 1.009 -6.583 1.00 22.30 C ATOM 479 C VAL A 31 -10.372 0.022 -6.070 1.00 31.24 C ATOM 480 O VAL A 31 -10.536 -0.156 -4.855 1.00 32.01 O ATOM 481 CB VAL A 31 -7.922 0.294 -6.860 1.00 74.02 C ATOM 482 CG1 VAL A 31 -6.858 1.315 -7.338 1.00 25.01 C ATOM 483 CG2 VAL A 31 -7.407 -0.494 -5.641 1.00 43.11 C ATOM 0 H VAL A 31 -8.597 1.848 -4.794 1.00 12.45 H new ATOM 0 HA VAL A 31 -9.646 1.413 -7.534 1.00 22.30 H new ATOM 0 HB VAL A 31 -8.100 -0.431 -7.655 1.00 74.02 H new ATOM 0 HG11 VAL A 31 -5.916 0.799 -7.523 1.00 25.01 H new ATOM 0 HG12 VAL A 31 -7.198 1.791 -8.258 1.00 25.01 H new ATOM 0 HG13 VAL A 31 -6.711 2.074 -6.570 1.00 25.01 H new ATOM 0 HG21 VAL A 31 -6.456 -0.966 -5.888 1.00 43.11 H new ATOM 0 HG22 VAL A 31 -7.267 0.186 -4.801 1.00 43.11 H new ATOM 0 HG23 VAL A 31 -8.133 -1.260 -5.370 1.00 43.11 H new ATOM 493 N THR A 32 -11.128 -0.585 -6.998 1.00 45.21 N ATOM 494 CA THR A 32 -12.250 -1.489 -6.655 1.00 11.34 C ATOM 495 C THR A 32 -11.805 -2.967 -6.649 1.00 63.31 C ATOM 496 O THR A 32 -12.433 -3.805 -5.990 1.00 31.14 O ATOM 497 CB THR A 32 -13.470 -1.280 -7.626 1.00 44.04 C ATOM 498 OG1 THR A 32 -14.621 -1.993 -7.137 1.00 0.02 O ATOM 499 CG2 THR A 32 -13.176 -1.732 -9.069 1.00 52.40 C ATOM 0 H THR A 32 -10.985 -0.468 -8.001 1.00 45.21 H new ATOM 0 HA THR A 32 -12.573 -1.233 -5.646 1.00 11.34 H new ATOM 0 HB THR A 32 -13.664 -0.208 -7.649 1.00 44.04 H new ATOM 0 HG1 THR A 32 -14.936 -1.576 -6.308 1.00 0.02 H new ATOM 0 HG21 THR A 32 -14.056 -1.562 -9.690 1.00 52.40 H new ATOM 0 HG22 THR A 32 -12.337 -1.161 -9.465 1.00 52.40 H new ATOM 0 HG23 THR A 32 -12.927 -2.793 -9.074 1.00 52.40 H new ATOM 507 N THR A 33 -10.707 -3.278 -7.371 1.00 14.44 N ATOM 508 CA THR A 33 -10.195 -4.662 -7.487 1.00 12.43 C ATOM 509 C THR A 33 -8.671 -4.714 -7.278 1.00 55.14 C ATOM 510 O THR A 33 -7.979 -3.682 -7.343 1.00 51.24 O ATOM 511 CB THR A 33 -10.587 -5.306 -8.868 1.00 41.25 C ATOM 512 OG1 THR A 33 -10.182 -6.689 -8.916 1.00 44.42 O ATOM 513 CG2 THR A 33 -9.978 -4.553 -10.061 1.00 60.43 C ATOM 0 H THR A 33 -10.157 -2.589 -7.883 1.00 14.44 H new ATOM 0 HA THR A 33 -10.665 -5.248 -6.697 1.00 12.43 H new ATOM 0 HB THR A 33 -11.672 -5.236 -8.948 1.00 41.25 H new ATOM 0 HG1 THR A 33 -10.435 -7.074 -9.781 1.00 44.42 H new ATOM 0 HG21 THR A 33 -10.279 -5.038 -10.990 1.00 60.43 H new ATOM 0 HG22 THR A 33 -10.331 -3.522 -10.059 1.00 60.43 H new ATOM 0 HG23 THR A 33 -8.891 -4.564 -9.982 1.00 60.43 H new ATOM 521 N GLU A 34 -8.168 -5.943 -7.034 1.00 15.24 N ATOM 522 CA GLU A 34 -6.747 -6.214 -6.748 1.00 41.34 C ATOM 523 C GLU A 34 -5.851 -6.023 -7.976 1.00 62.51 C ATOM 524 O GLU A 34 -4.667 -5.722 -7.825 1.00 41.51 O ATOM 525 CB GLU A 34 -6.553 -7.651 -6.223 1.00 45.44 C ATOM 526 CG GLU A 34 -7.304 -7.976 -4.924 1.00 75.15 C ATOM 527 CD GLU A 34 -6.872 -9.327 -4.347 1.00 21.10 C ATOM 528 OE1 GLU A 34 -5.747 -9.416 -3.812 1.00 31.30 O ATOM 529 OE2 GLU A 34 -7.630 -10.316 -4.453 1.00 51.34 O ATOM 0 H GLU A 34 -8.746 -6.783 -7.031 1.00 15.24 H new ATOM 0 HA GLU A 34 -6.453 -5.490 -5.988 1.00 41.34 H new ATOM 0 HB2 GLU A 34 -6.875 -8.350 -6.995 1.00 45.44 H new ATOM 0 HB3 GLU A 34 -5.489 -7.822 -6.062 1.00 45.44 H new ATOM 0 HG2 GLU A 34 -7.120 -7.191 -4.191 1.00 75.15 H new ATOM 0 HG3 GLU A 34 -8.377 -7.988 -5.116 1.00 75.15 H new ATOM 536 N SER A 35 -6.417 -6.239 -9.177 1.00 72.30 N ATOM 537 CA SER A 35 -5.691 -6.068 -10.450 1.00 62.12 C ATOM 538 C SER A 35 -5.139 -4.635 -10.587 1.00 73.23 C ATOM 539 O SER A 35 -4.024 -4.419 -11.089 1.00 42.33 O ATOM 540 CB SER A 35 -6.614 -6.393 -11.637 1.00 3.11 C ATOM 541 OG SER A 35 -7.239 -7.655 -11.472 1.00 74.43 O ATOM 0 H SER A 35 -7.386 -6.536 -9.293 1.00 72.30 H new ATOM 0 HA SER A 35 -4.848 -6.759 -10.453 1.00 62.12 H new ATOM 0 HB2 SER A 35 -7.374 -5.618 -11.732 1.00 3.11 H new ATOM 0 HB3 SER A 35 -6.037 -6.389 -12.561 1.00 3.11 H new ATOM 0 HG SER A 35 -7.821 -7.835 -12.240 1.00 74.43 H new ATOM 547 N GLU A 36 -5.936 -3.672 -10.093 1.00 54.34 N ATOM 548 CA GLU A 36 -5.557 -2.261 -10.056 1.00 74.52 C ATOM 549 C GLU A 36 -4.535 -2.023 -8.935 1.00 24.00 C ATOM 550 O GLU A 36 -3.461 -1.503 -9.202 1.00 51.24 O ATOM 551 CB GLU A 36 -6.793 -1.370 -9.840 1.00 25.23 C ATOM 552 CG GLU A 36 -7.915 -1.548 -10.870 1.00 20.15 C ATOM 553 CD GLU A 36 -9.085 -0.596 -10.609 1.00 3.13 C ATOM 554 OE1 GLU A 36 -9.969 -0.932 -9.790 1.00 61.14 O ATOM 555 OE2 GLU A 36 -9.104 0.513 -11.191 1.00 41.04 O ATOM 0 H GLU A 36 -6.862 -3.857 -9.709 1.00 54.34 H new ATOM 0 HA GLU A 36 -5.107 -1.999 -11.014 1.00 74.52 H new ATOM 0 HB2 GLU A 36 -7.197 -1.571 -8.848 1.00 25.23 H new ATOM 0 HB3 GLU A 36 -6.475 -0.327 -9.849 1.00 25.23 H new ATOM 0 HG2 GLU A 36 -7.520 -1.373 -11.871 1.00 20.15 H new ATOM 0 HG3 GLU A 36 -8.272 -2.578 -10.844 1.00 20.15 H new ATOM 562 N LEU A 37 -4.882 -2.456 -7.693 1.00 42.34 N ATOM 563 CA LEU A 37 -4.038 -2.270 -6.483 1.00 11.22 C ATOM 564 C LEU A 37 -2.579 -2.719 -6.721 1.00 4.41 C ATOM 565 O LEU A 37 -1.631 -2.005 -6.369 1.00 51.54 O ATOM 566 CB LEU A 37 -4.626 -3.061 -5.276 1.00 14.35 C ATOM 567 CG LEU A 37 -3.800 -2.989 -3.946 1.00 0.23 C ATOM 568 CD1 LEU A 37 -3.703 -1.550 -3.417 1.00 55.34 C ATOM 569 CD2 LEU A 37 -4.372 -3.930 -2.878 1.00 71.23 C ATOM 0 H LEU A 37 -5.757 -2.945 -7.503 1.00 42.34 H new ATOM 0 HA LEU A 37 -4.037 -1.203 -6.260 1.00 11.22 H new ATOM 0 HB2 LEU A 37 -5.631 -2.690 -5.078 1.00 14.35 H new ATOM 0 HB3 LEU A 37 -4.724 -4.108 -5.565 1.00 14.35 H new ATOM 0 HG LEU A 37 -2.789 -3.324 -4.178 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -3.123 -1.540 -2.494 1.00 55.34 H new ATOM 0 HD12 LEU A 37 -3.213 -0.921 -4.160 1.00 55.34 H new ATOM 0 HD13 LEU A 37 -4.704 -1.166 -3.221 1.00 55.34 H new ATOM 0 HD21 LEU A 37 -3.775 -3.855 -1.969 1.00 71.23 H new ATOM 0 HD22 LEU A 37 -5.402 -3.649 -2.660 1.00 71.23 H new ATOM 0 HD23 LEU A 37 -4.346 -4.956 -3.245 1.00 71.23 H new ATOM 581 N GLN A 38 -2.453 -3.892 -7.355 1.00 65.30 N ATOM 582 CA GLN A 38 -1.178 -4.508 -7.731 1.00 62.42 C ATOM 583 C GLN A 38 -0.288 -3.532 -8.525 1.00 42.12 C ATOM 584 O GLN A 38 0.827 -3.203 -8.093 1.00 52.13 O ATOM 585 CB GLN A 38 -1.484 -5.803 -8.541 1.00 1.14 C ATOM 586 CG GLN A 38 -0.262 -6.523 -9.117 1.00 53.11 C ATOM 587 CD GLN A 38 -0.599 -7.886 -9.718 1.00 71.24 C ATOM 588 OE1 GLN A 38 -0.577 -8.903 -9.024 1.00 70.31 O ATOM 589 NE2 GLN A 38 -0.917 -7.921 -11.002 1.00 44.24 N ATOM 0 H GLN A 38 -3.260 -4.453 -7.627 1.00 65.30 H new ATOM 0 HA GLN A 38 -0.614 -4.764 -6.834 1.00 62.42 H new ATOM 0 HB2 GLN A 38 -2.022 -6.497 -7.895 1.00 1.14 H new ATOM 0 HB3 GLN A 38 -2.154 -5.548 -9.362 1.00 1.14 H new ATOM 0 HG2 GLN A 38 0.193 -5.897 -9.884 1.00 53.11 H new ATOM 0 HG3 GLN A 38 0.480 -6.653 -8.330 1.00 53.11 H new ATOM 0 HE21 GLN A 38 -0.926 -7.060 -11.549 1.00 44.24 H new ATOM 0 HE22 GLN A 38 -1.153 -8.809 -11.445 1.00 44.24 H new ATOM 598 N LYS A 39 -0.820 -3.015 -9.650 1.00 21.21 N ATOM 599 CA LYS A 39 -0.058 -2.117 -10.537 1.00 63.53 C ATOM 600 C LYS A 39 0.135 -0.723 -9.893 1.00 41.44 C ATOM 601 O LYS A 39 1.186 -0.114 -10.052 1.00 34.24 O ATOM 602 CB LYS A 39 -0.730 -1.993 -11.940 1.00 44.12 C ATOM 603 CG LYS A 39 -1.955 -1.058 -12.022 1.00 65.41 C ATOM 604 CD LYS A 39 -2.556 -0.968 -13.447 1.00 63.53 C ATOM 605 CE LYS A 39 -3.504 0.237 -13.602 1.00 21.14 C ATOM 606 NZ LYS A 39 -2.772 1.535 -13.493 1.00 4.14 N ATOM 0 H LYS A 39 -1.772 -3.204 -9.964 1.00 21.21 H new ATOM 0 HA LYS A 39 0.927 -2.561 -10.679 1.00 63.53 H new ATOM 0 HB2 LYS A 39 0.019 -1.642 -12.650 1.00 44.12 H new ATOM 0 HB3 LYS A 39 -1.035 -2.988 -12.264 1.00 44.12 H new ATOM 0 HG2 LYS A 39 -2.721 -1.412 -11.332 1.00 65.41 H new ATOM 0 HG3 LYS A 39 -1.666 -0.060 -11.692 1.00 65.41 H new ATOM 0 HD2 LYS A 39 -1.749 -0.890 -14.176 1.00 63.53 H new ATOM 0 HD3 LYS A 39 -3.099 -1.887 -13.670 1.00 63.53 H new ATOM 0 HE2 LYS A 39 -4.006 0.183 -14.568 1.00 21.14 H new ATOM 0 HE3 LYS A 39 -4.279 0.191 -12.837 1.00 21.14 H new ATOM 0 HZ1 LYS A 39 -3.259 2.152 -12.812 1.00 4.14 H new ATOM 0 HZ2 LYS A 39 -1.800 1.359 -13.167 1.00 4.14 H new ATOM 0 HZ3 LYS A 39 -2.746 1.998 -14.424 1.00 4.14 H new ATOM 620 N VAL A 40 -0.874 -0.279 -9.112 1.00 74.31 N ATOM 621 CA VAL A 40 -0.928 1.063 -8.489 1.00 61.45 C ATOM 622 C VAL A 40 0.190 1.244 -7.446 1.00 11.35 C ATOM 623 O VAL A 40 0.793 2.312 -7.366 1.00 75.34 O ATOM 624 CB VAL A 40 -2.367 1.326 -7.855 1.00 15.04 C ATOM 625 CG1 VAL A 40 -2.367 2.430 -6.775 1.00 24.34 C ATOM 626 CG2 VAL A 40 -3.388 1.677 -8.968 1.00 64.03 C ATOM 0 H VAL A 40 -1.688 -0.853 -8.893 1.00 74.31 H new ATOM 0 HA VAL A 40 -0.761 1.806 -9.269 1.00 61.45 H new ATOM 0 HB VAL A 40 -2.658 0.400 -7.359 1.00 15.04 H new ATOM 0 HG11 VAL A 40 -3.377 2.558 -6.385 1.00 24.34 H new ATOM 0 HG12 VAL A 40 -1.698 2.145 -5.963 1.00 24.34 H new ATOM 0 HG13 VAL A 40 -2.026 3.368 -7.213 1.00 24.34 H new ATOM 0 HG21 VAL A 40 -4.366 1.854 -8.521 1.00 64.03 H new ATOM 0 HG22 VAL A 40 -3.060 2.575 -9.492 1.00 64.03 H new ATOM 0 HG23 VAL A 40 -3.456 0.849 -9.674 1.00 64.03 H new ATOM 636 N LEU A 41 0.465 0.181 -6.673 1.00 74.13 N ATOM 637 CA LEU A 41 1.542 0.179 -5.665 1.00 3.13 C ATOM 638 C LEU A 41 2.931 0.151 -6.334 1.00 54.12 C ATOM 639 O LEU A 41 3.890 0.709 -5.801 1.00 61.15 O ATOM 640 CB LEU A 41 1.375 -1.027 -4.706 1.00 42.11 C ATOM 641 CG LEU A 41 0.093 -1.029 -3.824 1.00 34.04 C ATOM 642 CD1 LEU A 41 0.048 -2.282 -2.928 1.00 12.11 C ATOM 643 CD2 LEU A 41 -0.022 0.266 -2.990 1.00 61.01 C ATOM 0 H LEU A 41 -0.049 -0.698 -6.727 1.00 74.13 H new ATOM 0 HA LEU A 41 1.469 1.100 -5.087 1.00 3.13 H new ATOM 0 HB2 LEU A 41 1.384 -1.941 -5.300 1.00 42.11 H new ATOM 0 HB3 LEU A 41 2.244 -1.065 -4.049 1.00 42.11 H new ATOM 0 HG LEU A 41 -0.770 -1.061 -4.489 1.00 34.04 H new ATOM 0 HD11 LEU A 41 -0.857 -2.262 -2.320 1.00 12.11 H new ATOM 0 HD12 LEU A 41 0.047 -3.176 -3.552 1.00 12.11 H new ATOM 0 HD13 LEU A 41 0.922 -2.295 -2.277 1.00 12.11 H new ATOM 0 HD21 LEU A 41 -0.929 0.231 -2.386 1.00 61.01 H new ATOM 0 HD22 LEU A 41 0.846 0.356 -2.337 1.00 61.01 H new ATOM 0 HD23 LEU A 41 -0.064 1.126 -3.658 1.00 61.01 H new ATOM 655 N ASN A 42 3.005 -0.505 -7.509 1.00 32.45 N ATOM 656 CA ASN A 42 4.227 -0.569 -8.343 1.00 12.34 C ATOM 657 C ASN A 42 4.532 0.814 -8.971 1.00 30.33 C ATOM 658 O ASN A 42 5.699 1.206 -9.116 1.00 73.23 O ATOM 659 CB ASN A 42 4.048 -1.649 -9.448 1.00 71.22 C ATOM 660 CG ASN A 42 5.260 -1.794 -10.385 1.00 53.21 C ATOM 661 OD1 ASN A 42 6.188 -2.556 -10.109 1.00 53.55 O ATOM 662 ND2 ASN A 42 5.258 -1.068 -11.497 1.00 33.10 N ATOM 0 H ASN A 42 2.215 -1.009 -7.911 1.00 32.45 H new ATOM 0 HA ASN A 42 5.073 -0.844 -7.714 1.00 12.34 H new ATOM 0 HB2 ASN A 42 3.852 -2.610 -8.973 1.00 71.22 H new ATOM 0 HB3 ASN A 42 3.169 -1.402 -10.044 1.00 71.22 H new ATOM 0 HD21 ASN A 42 6.039 -1.133 -12.150 1.00 33.10 H new ATOM 0 HD22 ASN A 42 4.475 -0.446 -11.698 1.00 33.10 H new ATOM 669 N GLU A 43 3.459 1.540 -9.325 1.00 20.10 N ATOM 670 CA GLU A 43 3.543 2.898 -9.898 1.00 1.11 C ATOM 671 C GLU A 43 3.836 3.926 -8.795 1.00 21.04 C ATOM 672 O GLU A 43 4.604 4.863 -9.001 1.00 41.01 O ATOM 673 CB GLU A 43 2.219 3.250 -10.621 1.00 1.34 C ATOM 674 CG GLU A 43 1.897 2.344 -11.824 1.00 22.33 C ATOM 675 CD GLU A 43 0.549 2.683 -12.473 1.00 2.30 C ATOM 676 OE1 GLU A 43 -0.501 2.263 -11.934 1.00 62.43 O ATOM 677 OE2 GLU A 43 0.529 3.382 -13.511 1.00 71.01 O ATOM 0 H GLU A 43 2.502 1.201 -9.222 1.00 20.10 H new ATOM 0 HA GLU A 43 4.358 2.924 -10.621 1.00 1.11 H new ATOM 0 HB2 GLU A 43 1.400 3.189 -9.905 1.00 1.34 H new ATOM 0 HB3 GLU A 43 2.268 4.284 -10.962 1.00 1.34 H new ATOM 0 HG2 GLU A 43 2.688 2.439 -12.568 1.00 22.33 H new ATOM 0 HG3 GLU A 43 1.888 1.304 -11.499 1.00 22.33 H new ATOM 684 N LEU A 44 3.229 3.708 -7.612 1.00 75.11 N ATOM 685 CA LEU A 44 3.395 4.578 -6.430 1.00 62.21 C ATOM 686 C LEU A 44 4.843 4.477 -5.914 1.00 44.00 C ATOM 687 O LEU A 44 5.434 5.471 -5.480 1.00 42.11 O ATOM 688 CB LEU A 44 2.381 4.165 -5.324 1.00 52.12 C ATOM 689 CG LEU A 44 2.326 5.073 -4.055 1.00 35.55 C ATOM 690 CD1 LEU A 44 1.914 6.519 -4.407 1.00 31.51 C ATOM 691 CD2 LEU A 44 1.391 4.467 -2.987 1.00 62.34 C ATOM 0 H LEU A 44 2.605 2.918 -7.448 1.00 75.11 H new ATOM 0 HA LEU A 44 3.197 5.614 -6.706 1.00 62.21 H new ATOM 0 HB2 LEU A 44 1.385 4.137 -5.767 1.00 52.12 H new ATOM 0 HB3 LEU A 44 2.617 3.149 -5.007 1.00 52.12 H new ATOM 0 HG LEU A 44 3.331 5.118 -3.636 1.00 35.55 H new ATOM 0 HD11 LEU A 44 1.887 7.121 -3.499 1.00 31.51 H new ATOM 0 HD12 LEU A 44 2.637 6.944 -5.103 1.00 31.51 H new ATOM 0 HD13 LEU A 44 0.927 6.514 -4.869 1.00 31.51 H new ATOM 0 HD21 LEU A 44 1.369 5.117 -2.112 1.00 62.34 H new ATOM 0 HD22 LEU A 44 0.385 4.373 -3.395 1.00 62.34 H new ATOM 0 HD23 LEU A 44 1.758 3.482 -2.698 1.00 62.34 H new ATOM 703 N LYS A 45 5.391 3.252 -6.028 1.00 25.21 N ATOM 704 CA LYS A 45 6.792 2.910 -5.707 1.00 24.23 C ATOM 705 C LYS A 45 7.794 3.814 -6.458 1.00 52.14 C ATOM 706 O LYS A 45 8.847 4.155 -5.920 1.00 45.43 O ATOM 707 CB LYS A 45 7.017 1.420 -6.069 1.00 73.35 C ATOM 708 CG LYS A 45 8.419 0.846 -5.780 1.00 3.13 C ATOM 709 CD LYS A 45 8.534 -0.650 -6.187 1.00 50.01 C ATOM 710 CE LYS A 45 8.185 -0.902 -7.670 1.00 45.45 C ATOM 711 NZ LYS A 45 8.273 -2.349 -8.035 1.00 53.20 N ATOM 0 H LYS A 45 4.856 2.448 -6.356 1.00 25.21 H new ATOM 0 HA LYS A 45 6.967 3.074 -4.644 1.00 24.23 H new ATOM 0 HB2 LYS A 45 6.285 0.823 -5.526 1.00 73.35 H new ATOM 0 HB3 LYS A 45 6.808 1.292 -7.131 1.00 73.35 H new ATOM 0 HG2 LYS A 45 9.166 1.427 -6.321 1.00 3.13 H new ATOM 0 HG3 LYS A 45 8.641 0.950 -4.718 1.00 3.13 H new ATOM 0 HD2 LYS A 45 9.550 -0.996 -5.995 1.00 50.01 H new ATOM 0 HD3 LYS A 45 7.871 -1.244 -5.558 1.00 50.01 H new ATOM 0 HE2 LYS A 45 7.177 -0.540 -7.870 1.00 45.45 H new ATOM 0 HE3 LYS A 45 8.862 -0.328 -8.303 1.00 45.45 H new ATOM 0 HZ1 LYS A 45 7.571 -2.565 -8.771 1.00 53.20 H new ATOM 0 HZ2 LYS A 45 9.226 -2.559 -8.394 1.00 53.20 H new ATOM 0 HZ3 LYS A 45 8.083 -2.931 -7.194 1.00 53.20 H new ATOM 725 N ASP A 46 7.428 4.216 -7.696 1.00 34.25 N ATOM 726 CA ASP A 46 8.215 5.163 -8.512 1.00 21.22 C ATOM 727 C ASP A 46 8.316 6.534 -7.819 1.00 31.12 C ATOM 728 O ASP A 46 9.421 7.046 -7.618 1.00 32.35 O ATOM 729 CB ASP A 46 7.583 5.313 -9.931 1.00 14.13 C ATOM 730 CG ASP A 46 8.190 6.460 -10.774 1.00 63.52 C ATOM 731 OD1 ASP A 46 9.189 6.231 -11.495 1.00 3.02 O ATOM 732 OD2 ASP A 46 7.661 7.597 -10.729 1.00 44.05 O ATOM 0 H ASP A 46 6.578 3.892 -8.156 1.00 34.25 H new ATOM 0 HA ASP A 46 9.223 4.763 -8.620 1.00 21.22 H new ATOM 0 HB2 ASP A 46 7.705 4.375 -10.472 1.00 14.13 H new ATOM 0 HB3 ASP A 46 6.512 5.483 -9.824 1.00 14.13 H new ATOM 737 N TYR A 47 7.156 7.097 -7.430 1.00 21.02 N ATOM 738 CA TYR A 47 7.078 8.453 -6.846 1.00 23.42 C ATOM 739 C TYR A 47 7.808 8.530 -5.484 1.00 10.05 C ATOM 740 O TYR A 47 8.487 9.527 -5.187 1.00 61.12 O ATOM 741 CB TYR A 47 5.608 8.892 -6.664 1.00 14.23 C ATOM 742 CG TYR A 47 4.768 8.914 -7.950 1.00 42.51 C ATOM 743 CD1 TYR A 47 4.699 10.049 -8.766 1.00 51.42 C ATOM 744 CD2 TYR A 47 4.021 7.801 -8.329 1.00 42.04 C ATOM 745 CE1 TYR A 47 3.913 10.058 -9.910 1.00 75.42 C ATOM 746 CE2 TYR A 47 3.240 7.805 -9.470 1.00 53.00 C ATOM 747 CZ TYR A 47 3.186 8.933 -10.255 1.00 12.11 C ATOM 748 OH TYR A 47 2.399 8.935 -11.395 1.00 72.42 O ATOM 0 H TYR A 47 6.252 6.630 -7.510 1.00 21.02 H new ATOM 0 HA TYR A 47 7.572 9.128 -7.544 1.00 23.42 H new ATOM 0 HB2 TYR A 47 5.131 8.221 -5.949 1.00 14.23 H new ATOM 0 HB3 TYR A 47 5.595 9.889 -6.224 1.00 14.23 H new ATOM 0 HD1 TYR A 47 5.265 10.930 -8.502 1.00 51.42 H new ATOM 0 HD2 TYR A 47 4.053 6.912 -7.716 1.00 42.04 H new ATOM 0 HE1 TYR A 47 3.869 10.942 -10.529 1.00 75.42 H new ATOM 0 HE2 TYR A 47 2.675 6.926 -9.744 1.00 53.00 H new ATOM 0 HH TYR A 47 1.958 8.065 -11.489 1.00 72.42 H new ATOM 758 N ILE A 48 7.660 7.460 -4.674 1.00 72.33 N ATOM 759 CA ILE A 48 8.280 7.352 -3.337 1.00 61.32 C ATOM 760 C ILE A 48 9.819 7.225 -3.464 1.00 14.12 C ATOM 761 O ILE A 48 10.565 7.843 -2.703 1.00 3.13 O ATOM 762 CB ILE A 48 7.716 6.114 -2.531 1.00 51.20 C ATOM 763 CG1 ILE A 48 6.156 6.160 -2.421 1.00 63.43 C ATOM 764 CG2 ILE A 48 8.358 6.029 -1.121 1.00 21.42 C ATOM 765 CD1 ILE A 48 5.533 4.916 -1.793 1.00 34.42 C ATOM 0 H ILE A 48 7.105 6.644 -4.931 1.00 72.33 H new ATOM 0 HA ILE A 48 8.031 8.261 -2.789 1.00 61.32 H new ATOM 0 HB ILE A 48 7.985 5.216 -3.087 1.00 51.20 H new ATOM 0 HG12 ILE A 48 5.871 7.032 -1.832 1.00 63.43 H new ATOM 0 HG13 ILE A 48 5.737 6.298 -3.418 1.00 63.43 H new ATOM 0 HG21 ILE A 48 7.953 5.169 -0.588 1.00 21.42 H new ATOM 0 HG22 ILE A 48 9.438 5.919 -1.219 1.00 21.42 H new ATOM 0 HG23 ILE A 48 8.135 6.939 -0.564 1.00 21.42 H new ATOM 0 HD11 ILE A 48 4.450 5.031 -1.755 1.00 34.42 H new ATOM 0 HD12 ILE A 48 5.784 4.041 -2.393 1.00 34.42 H new ATOM 0 HD13 ILE A 48 5.920 4.786 -0.782 1.00 34.42 H new ATOM 777 N LYS A 49 10.275 6.422 -4.446 1.00 41.33 N ATOM 778 CA LYS A 49 11.715 6.173 -4.692 1.00 50.02 C ATOM 779 C LYS A 49 12.401 7.428 -5.251 1.00 44.43 C ATOM 780 O LYS A 49 13.557 7.720 -4.931 1.00 11.24 O ATOM 781 CB LYS A 49 11.891 4.988 -5.684 1.00 64.42 C ATOM 782 CG LYS A 49 13.342 4.485 -5.837 1.00 0.54 C ATOM 783 CD LYS A 49 13.461 3.288 -6.814 1.00 21.22 C ATOM 784 CE LYS A 49 14.895 2.741 -6.900 1.00 73.23 C ATOM 785 NZ LYS A 49 15.034 1.661 -7.921 1.00 35.24 N ATOM 0 H LYS A 49 9.659 5.927 -5.091 1.00 41.33 H new ATOM 0 HA LYS A 49 12.183 5.919 -3.741 1.00 50.02 H new ATOM 0 HB2 LYS A 49 11.266 4.159 -5.352 1.00 64.42 H new ATOM 0 HB3 LYS A 49 11.522 5.294 -6.663 1.00 64.42 H new ATOM 0 HG2 LYS A 49 13.970 5.302 -6.192 1.00 0.54 H new ATOM 0 HG3 LYS A 49 13.725 4.190 -4.860 1.00 0.54 H new ATOM 0 HD2 LYS A 49 12.790 2.492 -6.492 1.00 21.22 H new ATOM 0 HD3 LYS A 49 13.134 3.599 -7.806 1.00 21.22 H new ATOM 0 HE2 LYS A 49 15.577 3.556 -7.142 1.00 73.23 H new ATOM 0 HE3 LYS A 49 15.193 2.355 -5.925 1.00 73.23 H new ATOM 0 HZ1 LYS A 49 16.018 1.326 -7.940 1.00 35.24 H new ATOM 0 HZ2 LYS A 49 14.404 0.870 -7.678 1.00 35.24 H new ATOM 0 HZ3 LYS A 49 14.777 2.033 -8.857 1.00 35.24 H new ATOM 799 N LYS A 50 11.644 8.164 -6.075 1.00 63.43 N ATOM 800 CA LYS A 50 12.131 9.344 -6.806 1.00 70.24 C ATOM 801 C LYS A 50 12.531 10.470 -5.836 1.00 45.40 C ATOM 802 O LYS A 50 13.549 11.149 -6.032 1.00 32.23 O ATOM 803 CB LYS A 50 11.027 9.817 -7.781 1.00 42.44 C ATOM 804 CG LYS A 50 11.435 10.955 -8.743 1.00 65.42 C ATOM 805 CD LYS A 50 10.326 11.288 -9.771 1.00 51.14 C ATOM 806 CE LYS A 50 9.955 10.078 -10.651 1.00 63.52 C ATOM 807 NZ LYS A 50 8.922 10.418 -11.664 1.00 74.41 N ATOM 0 H LYS A 50 10.662 7.955 -6.256 1.00 63.43 H new ATOM 0 HA LYS A 50 13.024 9.076 -7.371 1.00 70.24 H new ATOM 0 HB2 LYS A 50 10.699 8.963 -8.374 1.00 42.44 H new ATOM 0 HB3 LYS A 50 10.168 10.148 -7.197 1.00 42.44 H new ATOM 0 HG2 LYS A 50 11.670 11.849 -8.165 1.00 65.42 H new ATOM 0 HG3 LYS A 50 12.344 10.670 -9.273 1.00 65.42 H new ATOM 0 HD2 LYS A 50 9.438 11.635 -9.243 1.00 51.14 H new ATOM 0 HD3 LYS A 50 10.659 12.108 -10.408 1.00 51.14 H new ATOM 0 HE2 LYS A 50 10.849 9.709 -11.155 1.00 63.52 H new ATOM 0 HE3 LYS A 50 9.589 9.269 -10.019 1.00 63.52 H new ATOM 0 HZ1 LYS A 50 8.207 9.663 -11.698 1.00 74.41 H new ATOM 0 HZ2 LYS A 50 8.465 11.316 -11.406 1.00 74.41 H new ATOM 0 HZ3 LYS A 50 9.370 10.513 -12.598 1.00 74.41 H new ATOM 821 N GLN A 51 11.711 10.646 -4.791 1.00 43.13 N ATOM 822 CA GLN A 51 11.968 11.622 -3.726 1.00 65.33 C ATOM 823 C GLN A 51 12.930 11.034 -2.671 1.00 73.23 C ATOM 824 O GLN A 51 13.043 9.807 -2.523 1.00 32.23 O ATOM 825 CB GLN A 51 10.632 12.067 -3.068 1.00 1.32 C ATOM 826 CG GLN A 51 9.849 10.931 -2.385 1.00 64.34 C ATOM 827 CD GLN A 51 8.453 11.338 -1.931 1.00 53.13 C ATOM 828 OE1 GLN A 51 8.261 11.788 -0.801 1.00 44.14 O ATOM 829 NE2 GLN A 51 7.477 11.209 -2.823 1.00 41.14 N ATOM 0 H GLN A 51 10.850 10.115 -4.661 1.00 43.13 H new ATOM 0 HA GLN A 51 12.443 12.499 -4.166 1.00 65.33 H new ATOM 0 HB2 GLN A 51 10.845 12.840 -2.330 1.00 1.32 H new ATOM 0 HB3 GLN A 51 9.999 12.520 -3.831 1.00 1.32 H new ATOM 0 HG2 GLN A 51 9.767 10.092 -3.076 1.00 64.34 H new ATOM 0 HG3 GLN A 51 10.414 10.579 -1.522 1.00 64.34 H new ATOM 0 HE21 GLN A 51 7.679 10.831 -3.749 1.00 41.14 H new ATOM 0 HE22 GLN A 51 6.526 11.488 -2.582 1.00 41.14 H new ATOM 838 N GLY A 52 13.626 11.930 -1.968 1.00 54.22 N ATOM 839 CA GLY A 52 14.513 11.566 -0.863 1.00 43.24 C ATOM 840 C GLY A 52 14.649 12.703 0.128 1.00 41.34 C ATOM 841 O GLY A 52 15.675 12.830 0.805 1.00 4.11 O ATOM 0 H GLY A 52 13.589 12.933 -2.151 1.00 54.22 H new ATOM 0 HA2 GLY A 52 14.123 10.683 -0.356 1.00 43.24 H new ATOM 0 HA3 GLY A 52 15.495 11.301 -1.254 1.00 43.24 H new ATOM 845 N CYS A 53 13.595 13.541 0.193 1.00 4.30 N ATOM 846 CA CYS A 53 13.483 14.641 1.165 1.00 62.22 C ATOM 847 C CYS A 53 13.222 14.053 2.556 1.00 55.34 C ATOM 848 O CYS A 53 13.836 14.462 3.545 1.00 40.22 O ATOM 849 CB CYS A 53 12.335 15.583 0.742 1.00 12.41 C ATOM 850 SG CYS A 53 10.772 14.723 0.451 1.00 52.22 S ATOM 0 H CYS A 53 12.793 13.471 -0.433 1.00 4.30 H new ATOM 0 HA CYS A 53 14.408 15.216 1.194 1.00 62.22 H new ATOM 0 HB2 CYS A 53 12.188 16.336 1.517 1.00 12.41 H new ATOM 0 HB3 CYS A 53 12.625 16.112 -0.166 1.00 12.41 H new ATOM 0 HG CYS A 53 9.781 15.524 0.710 1.00 52.22 H new ATOM 856 N LYS A 54 12.312 13.069 2.592 1.00 72.21 N ATOM 857 CA LYS A 54 11.989 12.296 3.797 1.00 1.33 C ATOM 858 C LYS A 54 11.430 10.914 3.403 1.00 54.11 C ATOM 859 O LYS A 54 11.486 10.516 2.232 1.00 31.45 O ATOM 860 CB LYS A 54 10.979 13.060 4.703 1.00 53.12 C ATOM 861 CG LYS A 54 9.581 13.308 4.074 1.00 12.35 C ATOM 862 CD LYS A 54 8.534 13.774 5.121 1.00 11.14 C ATOM 863 CE LYS A 54 8.984 15.018 5.906 1.00 13.22 C ATOM 864 NZ LYS A 54 7.928 15.521 6.830 1.00 53.42 N ATOM 0 H LYS A 54 11.773 12.785 1.774 1.00 72.21 H new ATOM 0 HA LYS A 54 12.905 12.156 4.370 1.00 1.33 H new ATOM 0 HB2 LYS A 54 10.849 12.498 5.628 1.00 53.12 H new ATOM 0 HB3 LYS A 54 11.414 14.022 4.973 1.00 53.12 H new ATOM 0 HG2 LYS A 54 9.667 14.061 3.290 1.00 12.35 H new ATOM 0 HG3 LYS A 54 9.232 12.391 3.599 1.00 12.35 H new ATOM 0 HD2 LYS A 54 7.593 13.991 4.615 1.00 11.14 H new ATOM 0 HD3 LYS A 54 8.340 12.960 5.820 1.00 11.14 H new ATOM 0 HE2 LYS A 54 9.880 14.778 6.479 1.00 13.22 H new ATOM 0 HE3 LYS A 54 9.256 15.808 5.205 1.00 13.22 H new ATOM 0 HZ1 LYS A 54 8.343 16.211 7.488 1.00 53.42 H new ATOM 0 HZ2 LYS A 54 7.174 15.978 6.279 1.00 53.42 H new ATOM 0 HZ3 LYS A 54 7.530 14.725 7.368 1.00 53.42 H new ATOM 878 N ARG A 55 10.888 10.206 4.404 1.00 44.02 N ATOM 879 CA ARG A 55 10.300 8.870 4.261 1.00 22.14 C ATOM 880 C ARG A 55 8.772 8.995 4.110 1.00 41.34 C ATOM 881 O ARG A 55 8.147 9.858 4.747 1.00 3.43 O ATOM 882 CB ARG A 55 10.658 8.072 5.535 1.00 52.12 C ATOM 883 CG ARG A 55 10.165 6.609 5.619 1.00 51.12 C ATOM 884 CD ARG A 55 10.252 6.083 7.068 1.00 64.13 C ATOM 885 NE ARG A 55 9.360 6.858 7.957 1.00 51.22 N ATOM 886 CZ ARG A 55 9.707 7.502 9.082 1.00 53.20 C ATOM 887 NH1 ARG A 55 10.969 7.518 9.517 1.00 41.44 N ATOM 888 NH2 ARG A 55 8.766 8.148 9.757 1.00 31.01 N ATOM 0 H ARG A 55 10.846 10.558 5.360 1.00 44.02 H new ATOM 0 HA ARG A 55 10.685 8.360 3.378 1.00 22.14 H new ATOM 0 HB2 ARG A 55 11.743 8.068 5.636 1.00 52.12 H new ATOM 0 HB3 ARG A 55 10.259 8.612 6.394 1.00 52.12 H new ATOM 0 HG2 ARG A 55 9.136 6.547 5.266 1.00 51.12 H new ATOM 0 HG3 ARG A 55 10.766 5.980 4.962 1.00 51.12 H new ATOM 0 HD2 ARG A 55 9.975 5.029 7.095 1.00 64.13 H new ATOM 0 HD3 ARG A 55 11.280 6.152 7.425 1.00 64.13 H new ATOM 0 HE ARG A 55 8.378 6.908 7.687 1.00 51.22 H new ATOM 0 HH11 ARG A 55 11.696 7.033 8.991 1.00 41.44 H new ATOM 0 HH12 ARG A 55 11.206 8.015 10.375 1.00 41.44 H new ATOM 0 HH21 ARG A 55 7.804 8.148 9.418 1.00 31.01 H new ATOM 0 HH22 ARG A 55 9.004 8.645 10.615 1.00 31.01 H new ATOM 902 N SER A 56 8.187 8.134 3.266 1.00 11.23 N ATOM 903 CA SER A 56 6.739 8.116 2.996 1.00 45.21 C ATOM 904 C SER A 56 6.088 6.878 3.653 1.00 71.24 C ATOM 905 O SER A 56 6.732 5.829 3.789 1.00 12.54 O ATOM 906 CB SER A 56 6.514 8.091 1.465 1.00 33.32 C ATOM 907 OG SER A 56 7.231 9.128 0.809 1.00 11.21 O ATOM 0 H SER A 56 8.706 7.426 2.747 1.00 11.23 H new ATOM 0 HA SER A 56 6.277 9.009 3.418 1.00 45.21 H new ATOM 0 HB2 SER A 56 6.826 7.125 1.067 1.00 33.32 H new ATOM 0 HB3 SER A 56 5.450 8.194 1.252 1.00 33.32 H new ATOM 0 HG SER A 56 7.066 9.080 -0.156 1.00 11.21 H new ATOM 913 N ARG A 57 4.815 7.009 4.059 1.00 52.45 N ATOM 914 CA ARG A 57 4.009 5.875 4.582 1.00 45.23 C ATOM 915 C ARG A 57 2.792 5.647 3.669 1.00 2.20 C ATOM 916 O ARG A 57 2.195 6.608 3.208 1.00 35.44 O ATOM 917 CB ARG A 57 3.554 6.146 6.045 1.00 10.50 C ATOM 918 CG ARG A 57 2.736 7.439 6.243 1.00 24.43 C ATOM 919 CD ARG A 57 2.263 7.654 7.692 1.00 52.14 C ATOM 920 NE ARG A 57 3.385 7.688 8.641 1.00 10.34 N ATOM 921 CZ ARG A 57 3.436 8.391 9.781 1.00 10.43 C ATOM 922 NH1 ARG A 57 2.418 9.162 10.168 1.00 71.44 N ATOM 923 NH2 ARG A 57 4.520 8.298 10.541 1.00 33.22 N ATOM 0 H ARG A 57 4.311 7.895 4.038 1.00 52.45 H new ATOM 0 HA ARG A 57 4.626 4.976 4.588 1.00 45.23 H new ATOM 0 HB2 ARG A 57 2.957 5.300 6.387 1.00 10.50 H new ATOM 0 HB3 ARG A 57 4.437 6.191 6.682 1.00 10.50 H new ATOM 0 HG2 ARG A 57 3.341 8.292 5.937 1.00 24.43 H new ATOM 0 HG3 ARG A 57 1.867 7.413 5.586 1.00 24.43 H new ATOM 0 HD2 ARG A 57 1.706 8.589 7.756 1.00 52.14 H new ATOM 0 HD3 ARG A 57 1.577 6.854 7.971 1.00 52.14 H new ATOM 0 HE ARG A 57 4.202 7.123 8.410 1.00 10.34 H new ATOM 0 HH11 ARG A 57 1.579 9.225 9.592 1.00 71.44 H new ATOM 0 HH12 ARG A 57 2.479 9.688 11.040 1.00 71.44 H new ATOM 0 HH21 ARG A 57 5.294 7.700 10.254 1.00 33.22 H new ATOM 0 HH22 ARG A 57 4.579 8.825 11.412 1.00 33.22 H new ATOM 937 N THR A 58 2.438 4.378 3.391 1.00 33.01 N ATOM 938 CA THR A 58 1.280 4.048 2.532 1.00 32.44 C ATOM 939 C THR A 58 0.221 3.268 3.335 1.00 63.10 C ATOM 940 O THR A 58 0.516 2.210 3.896 1.00 63.24 O ATOM 941 CB THR A 58 1.713 3.218 1.279 1.00 41.20 C ATOM 942 OG1 THR A 58 2.765 3.899 0.576 1.00 74.40 O ATOM 943 CG2 THR A 58 0.538 2.970 0.311 1.00 24.23 C ATOM 0 H THR A 58 2.936 3.563 3.748 1.00 33.01 H new ATOM 0 HA THR A 58 0.850 4.987 2.185 1.00 32.44 H new ATOM 0 HB THR A 58 2.064 2.252 1.641 1.00 41.20 H new ATOM 0 HG1 THR A 58 3.576 3.904 1.126 1.00 74.40 H new ATOM 0 HG21 THR A 58 0.887 2.390 -0.544 1.00 24.23 H new ATOM 0 HG22 THR A 58 -0.248 2.419 0.827 1.00 24.23 H new ATOM 0 HG23 THR A 58 0.144 3.925 -0.035 1.00 24.23 H new ATOM 951 N SER A 59 -1.000 3.817 3.387 1.00 63.34 N ATOM 952 CA SER A 59 -2.160 3.197 4.041 1.00 34.31 C ATOM 953 C SER A 59 -3.102 2.570 2.986 1.00 23.45 C ATOM 954 O SER A 59 -3.486 3.237 2.028 1.00 65.14 O ATOM 955 CB SER A 59 -2.891 4.273 4.873 1.00 3.52 C ATOM 956 OG SER A 59 -3.201 5.416 4.091 1.00 33.40 O ATOM 0 H SER A 59 -1.213 4.722 2.968 1.00 63.34 H new ATOM 0 HA SER A 59 -1.831 2.395 4.702 1.00 34.31 H new ATOM 0 HB2 SER A 59 -3.809 3.854 5.285 1.00 3.52 H new ATOM 0 HB3 SER A 59 -2.267 4.567 5.717 1.00 3.52 H new ATOM 0 HG SER A 59 -3.475 5.134 3.193 1.00 33.40 H new ATOM 962 N ILE A 60 -3.457 1.287 3.174 1.00 32.10 N ATOM 963 CA ILE A 60 -4.383 0.534 2.287 1.00 3.42 C ATOM 964 C ILE A 60 -5.551 -0.009 3.130 1.00 24.03 C ATOM 965 O ILE A 60 -5.312 -0.496 4.231 1.00 30.02 O ATOM 966 CB ILE A 60 -3.643 -0.678 1.593 1.00 15.31 C ATOM 967 CG1 ILE A 60 -2.462 -0.186 0.705 1.00 61.42 C ATOM 968 CG2 ILE A 60 -4.616 -1.566 0.775 1.00 51.13 C ATOM 969 CD1 ILE A 60 -1.702 -1.303 0.016 1.00 63.15 C ATOM 0 H ILE A 60 -3.108 0.730 3.954 1.00 32.10 H new ATOM 0 HA ILE A 60 -4.748 1.208 1.512 1.00 3.42 H new ATOM 0 HB ILE A 60 -3.234 -1.297 2.392 1.00 15.31 H new ATOM 0 HG12 ILE A 60 -2.849 0.497 -0.051 1.00 61.42 H new ATOM 0 HG13 ILE A 60 -1.769 0.384 1.323 1.00 61.42 H new ATOM 0 HG21 ILE A 60 -4.063 -2.386 0.317 1.00 51.13 H new ATOM 0 HG22 ILE A 60 -5.382 -1.971 1.436 1.00 51.13 H new ATOM 0 HG23 ILE A 60 -5.088 -0.967 -0.004 1.00 51.13 H new ATOM 0 HD11 ILE A 60 -0.896 -0.879 -0.583 1.00 63.15 H new ATOM 0 HD12 ILE A 60 -1.283 -1.974 0.766 1.00 63.15 H new ATOM 0 HD13 ILE A 60 -2.380 -1.860 -0.631 1.00 63.15 H new ATOM 981 N THR A 61 -6.793 0.058 2.604 1.00 2.41 N ATOM 982 CA THR A 61 -7.979 -0.491 3.286 1.00 52.32 C ATOM 983 C THR A 61 -7.831 -2.014 3.531 1.00 4.23 C ATOM 984 O THR A 61 -7.891 -2.815 2.600 1.00 42.44 O ATOM 985 CB THR A 61 -9.277 -0.200 2.477 1.00 13.25 C ATOM 986 OG1 THR A 61 -9.395 1.214 2.263 1.00 2.03 O ATOM 987 CG2 THR A 61 -10.543 -0.714 3.195 1.00 42.14 C ATOM 0 H THR A 61 -6.998 0.490 1.703 1.00 2.41 H new ATOM 0 HA THR A 61 -8.057 0.006 4.253 1.00 52.32 H new ATOM 0 HB THR A 61 -9.199 -0.729 1.527 1.00 13.25 H new ATOM 0 HG1 THR A 61 -10.325 1.436 2.050 1.00 2.03 H new ATOM 0 HG21 THR A 61 -11.421 -0.487 2.591 1.00 42.14 H new ATOM 0 HG22 THR A 61 -10.469 -1.792 3.336 1.00 42.14 H new ATOM 0 HG23 THR A 61 -10.634 -0.226 4.165 1.00 42.14 H new ATOM 995 N ALA A 62 -7.609 -2.362 4.804 1.00 51.53 N ATOM 996 CA ALA A 62 -7.421 -3.741 5.291 1.00 1.53 C ATOM 997 C ALA A 62 -8.482 -4.031 6.365 1.00 71.50 C ATOM 998 O ALA A 62 -8.176 -4.438 7.496 1.00 33.32 O ATOM 999 CB ALA A 62 -6.003 -3.870 5.845 1.00 53.34 C ATOM 0 H ALA A 62 -7.553 -1.671 5.552 1.00 51.53 H new ATOM 0 HA ALA A 62 -7.542 -4.468 4.488 1.00 1.53 H new ATOM 0 HB1 ALA A 62 -5.846 -4.885 6.210 1.00 53.34 H new ATOM 0 HB2 ALA A 62 -5.283 -3.653 5.056 1.00 53.34 H new ATOM 0 HB3 ALA A 62 -5.867 -3.164 6.665 1.00 53.34 H new ATOM 1005 N ARG A 63 -9.732 -3.762 5.962 1.00 31.31 N ATOM 1006 CA ARG A 63 -10.969 -3.865 6.789 1.00 72.01 C ATOM 1007 C ARG A 63 -11.088 -5.179 7.607 1.00 33.11 C ATOM 1008 O ARG A 63 -11.662 -5.166 8.702 1.00 32.30 O ATOM 1009 CB ARG A 63 -12.187 -3.660 5.848 1.00 11.10 C ATOM 1010 CG ARG A 63 -12.115 -4.536 4.584 1.00 43.41 C ATOM 1011 CD ARG A 63 -12.924 -4.002 3.399 1.00 64.41 C ATOM 1012 NE ARG A 63 -14.381 -4.189 3.536 1.00 41.24 N ATOM 1013 CZ ARG A 63 -15.088 -5.194 2.985 1.00 33.24 C ATOM 1014 NH1 ARG A 63 -14.495 -6.149 2.266 1.00 73.42 N ATOM 1015 NH2 ARG A 63 -16.410 -5.213 3.120 1.00 35.22 N ATOM 0 H ARG A 63 -9.930 -3.452 5.011 1.00 31.31 H new ATOM 0 HA ARG A 63 -10.931 -3.088 7.552 1.00 72.01 H new ATOM 0 HB2 ARG A 63 -13.104 -3.889 6.392 1.00 11.10 H new ATOM 0 HB3 ARG A 63 -12.243 -2.611 5.556 1.00 11.10 H new ATOM 0 HG2 ARG A 63 -11.072 -4.633 4.282 1.00 43.41 H new ATOM 0 HG3 ARG A 63 -12.470 -5.537 4.829 1.00 43.41 H new ATOM 0 HD2 ARG A 63 -12.714 -2.939 3.278 1.00 64.41 H new ATOM 0 HD3 ARG A 63 -12.588 -4.499 2.489 1.00 64.41 H new ATOM 0 HE ARG A 63 -14.893 -3.504 4.091 1.00 41.24 H new ATOM 0 HH11 ARG A 63 -13.485 -6.128 2.124 1.00 73.42 H new ATOM 0 HH12 ARG A 63 -15.052 -6.900 1.858 1.00 73.42 H new ATOM 0 HH21 ARG A 63 -16.881 -4.470 3.637 1.00 35.22 H new ATOM 0 HH22 ARG A 63 -16.954 -5.970 2.706 1.00 35.22 H new ATOM 1029 N THR A 64 -10.558 -6.304 7.081 1.00 31.43 N ATOM 1030 CA THR A 64 -10.530 -7.595 7.813 1.00 74.01 C ATOM 1031 C THR A 64 -9.086 -8.096 8.005 1.00 71.35 C ATOM 1032 O THR A 64 -8.140 -7.543 7.429 1.00 2.12 O ATOM 1033 CB THR A 64 -11.367 -8.701 7.079 1.00 5.54 C ATOM 1034 OG1 THR A 64 -10.781 -9.008 5.803 1.00 73.21 O ATOM 1035 CG2 THR A 64 -12.836 -8.285 6.882 1.00 63.52 C ATOM 0 H THR A 64 -10.142 -6.347 6.151 1.00 31.43 H new ATOM 0 HA THR A 64 -10.979 -7.408 8.788 1.00 74.01 H new ATOM 0 HB THR A 64 -11.352 -9.586 7.716 1.00 5.54 H new ATOM 0 HG1 THR A 64 -11.268 -8.534 5.097 1.00 73.21 H new ATOM 0 HG21 THR A 64 -13.374 -9.082 6.370 1.00 63.52 H new ATOM 0 HG22 THR A 64 -13.296 -8.102 7.853 1.00 63.52 H new ATOM 0 HG23 THR A 64 -12.879 -7.375 6.283 1.00 63.52 H new ATOM 1043 N LYS A 65 -8.956 -9.166 8.816 1.00 21.11 N ATOM 1044 CA LYS A 65 -7.681 -9.852 9.094 1.00 53.32 C ATOM 1045 C LYS A 65 -7.045 -10.442 7.809 1.00 14.04 C ATOM 1046 O LYS A 65 -5.826 -10.396 7.641 1.00 50.43 O ATOM 1047 CB LYS A 65 -7.923 -10.974 10.147 1.00 53.00 C ATOM 1048 CG LYS A 65 -8.950 -12.049 9.709 1.00 11.43 C ATOM 1049 CD LYS A 65 -9.138 -13.181 10.744 1.00 25.24 C ATOM 1050 CE LYS A 65 -9.703 -12.694 12.087 1.00 65.35 C ATOM 1051 NZ LYS A 65 -9.854 -13.819 13.058 1.00 14.35 N ATOM 0 H LYS A 65 -9.749 -9.583 9.304 1.00 21.11 H new ATOM 0 HA LYS A 65 -6.977 -9.119 9.488 1.00 53.32 H new ATOM 0 HB2 LYS A 65 -6.973 -11.463 10.365 1.00 53.00 H new ATOM 0 HB3 LYS A 65 -8.266 -10.517 11.075 1.00 53.00 H new ATOM 0 HG2 LYS A 65 -9.912 -11.569 9.529 1.00 11.43 H new ATOM 0 HG3 LYS A 65 -8.628 -12.483 8.762 1.00 11.43 H new ATOM 0 HD2 LYS A 65 -9.807 -13.935 10.329 1.00 25.24 H new ATOM 0 HD3 LYS A 65 -8.178 -13.667 10.917 1.00 25.24 H new ATOM 0 HE2 LYS A 65 -9.042 -11.936 12.507 1.00 65.35 H new ATOM 0 HE3 LYS A 65 -10.671 -12.219 11.925 1.00 65.35 H new ATOM 0 HZ1 LYS A 65 -10.238 -13.455 13.954 1.00 14.35 H new ATOM 0 HZ2 LYS A 65 -10.504 -14.531 12.667 1.00 14.35 H new ATOM 0 HZ3 LYS A 65 -8.926 -14.255 13.231 1.00 14.35 H new ATOM 1065 N LYS A 66 -7.896 -10.974 6.905 1.00 64.20 N ATOM 1066 CA LYS A 66 -7.448 -11.639 5.665 1.00 21.50 C ATOM 1067 C LYS A 66 -6.998 -10.592 4.640 1.00 74.33 C ATOM 1068 O LYS A 66 -5.968 -10.759 3.972 1.00 12.32 O ATOM 1069 CB LYS A 66 -8.593 -12.527 5.095 1.00 34.53 C ATOM 1070 CG LYS A 66 -8.205 -13.396 3.870 1.00 40.41 C ATOM 1071 CD LYS A 66 -7.076 -14.407 4.194 1.00 60.24 C ATOM 1072 CE LYS A 66 -6.640 -15.235 2.974 1.00 50.01 C ATOM 1073 NZ LYS A 66 -5.500 -16.140 3.300 1.00 52.42 N ATOM 0 H LYS A 66 -8.910 -10.954 7.015 1.00 64.20 H new ATOM 0 HA LYS A 66 -6.597 -12.282 5.888 1.00 21.50 H new ATOM 0 HB2 LYS A 66 -8.951 -13.184 5.888 1.00 34.53 H new ATOM 0 HB3 LYS A 66 -9.426 -11.882 4.814 1.00 34.53 H new ATOM 0 HG2 LYS A 66 -9.084 -13.937 3.520 1.00 40.41 H new ATOM 0 HG3 LYS A 66 -7.884 -12.747 3.055 1.00 40.41 H new ATOM 0 HD2 LYS A 66 -6.214 -13.867 4.586 1.00 60.24 H new ATOM 0 HD3 LYS A 66 -7.415 -15.081 4.981 1.00 60.24 H new ATOM 0 HE2 LYS A 66 -7.483 -15.826 2.615 1.00 50.01 H new ATOM 0 HE3 LYS A 66 -6.353 -14.565 2.164 1.00 50.01 H new ATOM 0 HZ1 LYS A 66 -5.234 -16.682 2.453 1.00 52.42 H new ATOM 0 HZ2 LYS A 66 -4.688 -15.574 3.618 1.00 52.42 H new ATOM 0 HZ3 LYS A 66 -5.783 -16.796 4.056 1.00 52.42 H new ATOM 1087 N GLU A 67 -7.777 -9.497 4.556 1.00 74.55 N ATOM 1088 CA GLU A 67 -7.466 -8.346 3.695 1.00 1.30 C ATOM 1089 C GLU A 67 -6.223 -7.589 4.204 1.00 52.34 C ATOM 1090 O GLU A 67 -5.480 -7.002 3.407 1.00 11.15 O ATOM 1091 CB GLU A 67 -8.729 -7.455 3.537 1.00 11.02 C ATOM 1092 CG GLU A 67 -9.848 -8.168 2.727 1.00 34.20 C ATOM 1093 CD GLU A 67 -11.151 -7.364 2.595 1.00 5.04 C ATOM 1094 OE1 GLU A 67 -11.247 -6.495 1.695 1.00 60.12 O ATOM 1095 OE2 GLU A 67 -12.091 -7.602 3.389 1.00 54.31 O ATOM 0 H GLU A 67 -8.642 -9.388 5.086 1.00 74.55 H new ATOM 0 HA GLU A 67 -7.198 -8.692 2.697 1.00 1.30 H new ATOM 0 HB2 GLU A 67 -9.110 -7.188 4.523 1.00 11.02 H new ATOM 0 HB3 GLU A 67 -8.456 -6.525 3.038 1.00 11.02 H new ATOM 0 HG2 GLU A 67 -9.471 -8.391 1.729 1.00 34.20 H new ATOM 0 HG3 GLU A 67 -10.072 -9.123 3.203 1.00 34.20 H new ATOM 1102 N ALA A 68 -5.962 -7.696 5.523 1.00 71.15 N ATOM 1103 CA ALA A 68 -4.745 -7.160 6.156 1.00 21.01 C ATOM 1104 C ALA A 68 -3.488 -7.887 5.673 1.00 44.01 C ATOM 1105 O ALA A 68 -2.449 -7.264 5.494 1.00 51.33 O ATOM 1106 CB ALA A 68 -4.863 -7.228 7.685 1.00 22.51 C ATOM 0 H ALA A 68 -6.592 -8.158 6.178 1.00 71.15 H new ATOM 0 HA ALA A 68 -4.648 -6.116 5.860 1.00 21.01 H new ATOM 0 HB1 ALA A 68 -3.956 -6.828 8.138 1.00 22.51 H new ATOM 0 HB2 ALA A 68 -5.721 -6.639 8.010 1.00 22.51 H new ATOM 0 HB3 ALA A 68 -4.996 -8.265 7.994 1.00 22.51 H new ATOM 1112 N GLU A 69 -3.604 -9.199 5.452 1.00 41.02 N ATOM 1113 CA GLU A 69 -2.479 -10.033 5.011 1.00 40.32 C ATOM 1114 C GLU A 69 -2.166 -9.824 3.516 1.00 34.13 C ATOM 1115 O GLU A 69 -1.034 -9.485 3.150 1.00 21.33 O ATOM 1116 CB GLU A 69 -2.782 -11.526 5.295 1.00 1.13 C ATOM 1117 CG GLU A 69 -2.952 -11.876 6.786 1.00 71.12 C ATOM 1118 CD GLU A 69 -1.759 -11.427 7.653 1.00 22.54 C ATOM 1119 OE1 GLU A 69 -0.664 -12.016 7.527 1.00 61.41 O ATOM 1120 OE2 GLU A 69 -1.907 -10.463 8.440 1.00 22.34 O ATOM 0 H GLU A 69 -4.477 -9.713 5.573 1.00 41.02 H new ATOM 0 HA GLU A 69 -1.597 -9.731 5.576 1.00 40.32 H new ATOM 0 HB2 GLU A 69 -3.692 -11.805 4.764 1.00 1.13 H new ATOM 0 HB3 GLU A 69 -1.974 -12.131 4.883 1.00 1.13 H new ATOM 0 HG2 GLU A 69 -3.862 -11.408 7.161 1.00 71.12 H new ATOM 0 HG3 GLU A 69 -3.082 -12.953 6.888 1.00 71.12 H new ATOM 1127 N LYS A 70 -3.193 -10.000 2.676 1.00 4.44 N ATOM 1128 CA LYS A 70 -3.049 -10.013 1.209 1.00 44.24 C ATOM 1129 C LYS A 70 -2.647 -8.631 0.633 1.00 74.33 C ATOM 1130 O LYS A 70 -1.732 -8.553 -0.205 1.00 14.44 O ATOM 1131 CB LYS A 70 -4.368 -10.538 0.567 1.00 44.23 C ATOM 1132 CG LYS A 70 -5.625 -9.712 0.917 1.00 10.23 C ATOM 1133 CD LYS A 70 -6.976 -10.367 0.514 1.00 35.32 C ATOM 1134 CE LYS A 70 -7.244 -10.379 -0.999 1.00 24.34 C ATOM 1135 NZ LYS A 70 -6.367 -11.314 -1.757 1.00 52.13 N ATOM 0 H LYS A 70 -4.153 -10.138 2.993 1.00 4.44 H new ATOM 0 HA LYS A 70 -2.230 -10.686 0.956 1.00 44.24 H new ATOM 0 HB2 LYS A 70 -4.249 -10.553 -0.516 1.00 44.23 H new ATOM 0 HB3 LYS A 70 -4.526 -11.569 0.884 1.00 44.23 H new ATOM 0 HG2 LYS A 70 -5.633 -9.529 1.992 1.00 10.23 H new ATOM 0 HG3 LYS A 70 -5.550 -8.740 0.429 1.00 10.23 H new ATOM 0 HD2 LYS A 70 -6.994 -11.393 0.883 1.00 35.32 H new ATOM 0 HD3 LYS A 70 -7.787 -9.835 1.011 1.00 35.32 H new ATOM 0 HE2 LYS A 70 -8.285 -10.651 -1.172 1.00 24.34 H new ATOM 0 HE3 LYS A 70 -7.109 -9.371 -1.391 1.00 24.34 H new ATOM 0 HZ1 LYS A 70 -5.706 -10.769 -2.347 1.00 52.13 H new ATOM 0 HZ2 LYS A 70 -5.830 -11.904 -1.090 1.00 52.13 H new ATOM 0 HZ3 LYS A 70 -6.952 -11.923 -2.364 1.00 52.13 H new ATOM 1149 N PHE A 71 -3.302 -7.542 1.111 1.00 64.10 N ATOM 1150 CA PHE A 71 -3.077 -6.174 0.576 1.00 60.00 C ATOM 1151 C PHE A 71 -1.742 -5.589 1.061 1.00 63.05 C ATOM 1152 O PHE A 71 -1.063 -4.853 0.317 1.00 3.24 O ATOM 1153 CB PHE A 71 -4.254 -5.236 0.954 1.00 42.33 C ATOM 1154 CG PHE A 71 -5.620 -5.629 0.357 1.00 3.20 C ATOM 1155 CD1 PHE A 71 -5.716 -6.336 -0.847 1.00 34.13 C ATOM 1156 CD2 PHE A 71 -6.808 -5.275 0.998 1.00 73.44 C ATOM 1157 CE1 PHE A 71 -6.947 -6.676 -1.379 1.00 45.40 C ATOM 1158 CE2 PHE A 71 -8.040 -5.617 0.459 1.00 22.45 C ATOM 1159 CZ PHE A 71 -8.107 -6.316 -0.728 1.00 75.13 C ATOM 0 H PHE A 71 -3.989 -7.584 1.864 1.00 64.10 H new ATOM 0 HA PHE A 71 -3.029 -6.250 -0.510 1.00 60.00 H new ATOM 0 HB2 PHE A 71 -4.343 -5.210 2.040 1.00 42.33 H new ATOM 0 HB3 PHE A 71 -4.011 -4.224 0.630 1.00 42.33 H new ATOM 0 HD1 PHE A 71 -4.815 -6.621 -1.369 1.00 34.13 H new ATOM 0 HD2 PHE A 71 -6.768 -4.727 1.928 1.00 73.44 H new ATOM 0 HE1 PHE A 71 -6.999 -7.225 -2.307 1.00 45.40 H new ATOM 0 HE2 PHE A 71 -8.949 -5.335 0.970 1.00 22.45 H new ATOM 0 HZ PHE A 71 -9.067 -6.581 -1.147 1.00 75.13 H new ATOM 1169 N ALA A 72 -1.369 -5.933 2.311 1.00 4.31 N ATOM 1170 CA ALA A 72 -0.096 -5.503 2.898 1.00 31.54 C ATOM 1171 C ALA A 72 1.087 -6.191 2.209 1.00 25.41 C ATOM 1172 O ALA A 72 2.075 -5.538 1.936 1.00 44.11 O ATOM 1173 CB ALA A 72 -0.060 -5.761 4.408 1.00 14.51 C ATOM 0 H ALA A 72 -1.938 -6.510 2.930 1.00 4.31 H new ATOM 0 HA ALA A 72 -0.010 -4.428 2.738 1.00 31.54 H new ATOM 0 HB1 ALA A 72 0.897 -5.431 4.811 1.00 14.51 H new ATOM 0 HB2 ALA A 72 -0.867 -5.209 4.891 1.00 14.51 H new ATOM 0 HB3 ALA A 72 -0.185 -6.827 4.598 1.00 14.51 H new ATOM 1179 N ALA A 73 0.950 -7.501 1.891 1.00 43.32 N ATOM 1180 CA ALA A 73 2.047 -8.320 1.302 1.00 73.33 C ATOM 1181 C ALA A 73 2.630 -7.701 0.005 1.00 44.10 C ATOM 1182 O ALA A 73 3.858 -7.673 -0.189 1.00 31.41 O ATOM 1183 CB ALA A 73 1.550 -9.749 1.041 1.00 51.20 C ATOM 0 H ALA A 73 0.084 -8.020 2.033 1.00 43.32 H new ATOM 0 HA ALA A 73 2.860 -8.341 2.028 1.00 73.33 H new ATOM 0 HB1 ALA A 73 2.357 -10.342 0.610 1.00 51.20 H new ATOM 0 HB2 ALA A 73 1.230 -10.200 1.980 1.00 51.20 H new ATOM 0 HB3 ALA A 73 0.710 -9.721 0.347 1.00 51.20 H new ATOM 1189 N ILE A 74 1.729 -7.166 -0.845 1.00 64.25 N ATOM 1190 CA ILE A 74 2.096 -6.466 -2.098 1.00 62.14 C ATOM 1191 C ILE A 74 2.893 -5.178 -1.761 1.00 2.24 C ATOM 1192 O ILE A 74 3.884 -4.845 -2.420 1.00 12.11 O ATOM 1193 CB ILE A 74 0.805 -6.096 -2.943 1.00 24.21 C ATOM 1194 CG1 ILE A 74 -0.118 -7.347 -3.143 1.00 2.03 C ATOM 1195 CG2 ILE A 74 1.188 -5.469 -4.313 1.00 2.50 C ATOM 1196 CD1 ILE A 74 -1.463 -7.056 -3.806 1.00 64.12 C ATOM 0 H ILE A 74 0.723 -7.206 -0.683 1.00 64.25 H new ATOM 0 HA ILE A 74 2.715 -7.134 -2.697 1.00 62.14 H new ATOM 0 HB ILE A 74 0.246 -5.351 -2.378 1.00 24.21 H new ATOM 0 HG12 ILE A 74 0.416 -8.081 -3.746 1.00 2.03 H new ATOM 0 HG13 ILE A 74 -0.300 -7.805 -2.171 1.00 2.03 H new ATOM 0 HG21 ILE A 74 0.282 -5.227 -4.868 1.00 2.50 H new ATOM 0 HG22 ILE A 74 1.767 -4.560 -4.148 1.00 2.50 H new ATOM 0 HG23 ILE A 74 1.784 -6.180 -4.885 1.00 2.50 H new ATOM 0 HD11 ILE A 74 -2.030 -7.982 -3.901 1.00 64.12 H new ATOM 0 HD12 ILE A 74 -2.024 -6.348 -3.196 1.00 64.12 H new ATOM 0 HD13 ILE A 74 -1.296 -6.630 -4.795 1.00 64.12 H new ATOM 1208 N LEU A 75 2.455 -4.501 -0.682 1.00 52.35 N ATOM 1209 CA LEU A 75 3.054 -3.244 -0.188 1.00 24.40 C ATOM 1210 C LEU A 75 4.383 -3.504 0.586 1.00 55.12 C ATOM 1211 O LEU A 75 5.239 -2.612 0.686 1.00 64.02 O ATOM 1212 CB LEU A 75 2.010 -2.504 0.697 1.00 75.32 C ATOM 1213 CG LEU A 75 2.351 -1.040 1.101 1.00 71.42 C ATOM 1214 CD1 LEU A 75 2.595 -0.158 -0.144 1.00 32.44 C ATOM 1215 CD2 LEU A 75 1.243 -0.448 2.008 1.00 34.04 C ATOM 0 H LEU A 75 1.664 -4.816 -0.120 1.00 52.35 H new ATOM 0 HA LEU A 75 3.315 -2.614 -1.038 1.00 24.40 H new ATOM 0 HB2 LEU A 75 1.057 -2.498 0.167 1.00 75.32 H new ATOM 0 HB3 LEU A 75 1.864 -3.084 1.608 1.00 75.32 H new ATOM 0 HG LEU A 75 3.278 -1.055 1.674 1.00 71.42 H new ATOM 0 HD11 LEU A 75 2.831 0.859 0.171 1.00 32.44 H new ATOM 0 HD12 LEU A 75 3.428 -0.562 -0.719 1.00 32.44 H new ATOM 0 HD13 LEU A 75 1.698 -0.147 -0.764 1.00 32.44 H new ATOM 0 HD21 LEU A 75 1.502 0.576 2.278 1.00 34.04 H new ATOM 0 HD22 LEU A 75 0.294 -0.453 1.473 1.00 34.04 H new ATOM 0 HD23 LEU A 75 1.153 -1.050 2.912 1.00 34.04 H new ATOM 1227 N ILE A 76 4.560 -4.746 1.098 1.00 31.34 N ATOM 1228 CA ILE A 76 5.822 -5.203 1.730 1.00 13.42 C ATOM 1229 C ILE A 76 6.891 -5.340 0.632 1.00 53.15 C ATOM 1230 O ILE A 76 8.042 -4.939 0.832 1.00 22.30 O ATOM 1231 CB ILE A 76 5.618 -6.576 2.536 1.00 32.44 C ATOM 1232 CG1 ILE A 76 5.238 -6.335 4.040 1.00 43.34 C ATOM 1233 CG2 ILE A 76 6.848 -7.531 2.462 1.00 74.12 C ATOM 1234 CD1 ILE A 76 4.036 -5.443 4.288 1.00 51.43 C ATOM 0 H ILE A 76 3.831 -5.460 1.084 1.00 31.34 H new ATOM 0 HA ILE A 76 6.149 -4.468 2.466 1.00 13.42 H new ATOM 0 HB ILE A 76 4.785 -7.066 2.031 1.00 32.44 H new ATOM 0 HG12 ILE A 76 5.050 -7.302 4.506 1.00 43.34 H new ATOM 0 HG13 ILE A 76 6.099 -5.899 4.546 1.00 43.34 H new ATOM 0 HG21 ILE A 76 6.639 -8.438 3.029 1.00 74.12 H new ATOM 0 HG22 ILE A 76 7.045 -7.790 1.422 1.00 74.12 H new ATOM 0 HG23 ILE A 76 7.721 -7.033 2.883 1.00 74.12 H new ATOM 0 HD11 ILE A 76 3.868 -5.348 5.361 1.00 51.43 H new ATOM 0 HD12 ILE A 76 4.220 -4.457 3.861 1.00 51.43 H new ATOM 0 HD13 ILE A 76 3.155 -5.882 3.820 1.00 51.43 H new ATOM 1246 N LYS A 77 6.471 -5.886 -0.539 1.00 61.23 N ATOM 1247 CA LYS A 77 7.330 -5.981 -1.738 1.00 3.33 C ATOM 1248 C LYS A 77 7.805 -4.578 -2.187 1.00 40.45 C ATOM 1249 O LYS A 77 8.989 -4.391 -2.484 1.00 60.12 O ATOM 1250 CB LYS A 77 6.583 -6.681 -2.906 1.00 20.45 C ATOM 1251 CG LYS A 77 6.112 -8.122 -2.602 1.00 42.12 C ATOM 1252 CD LYS A 77 5.389 -8.779 -3.807 1.00 12.44 C ATOM 1253 CE LYS A 77 6.295 -8.893 -5.050 1.00 23.12 C ATOM 1254 NZ LYS A 77 5.623 -9.585 -6.189 1.00 22.24 N ATOM 0 H LYS A 77 5.535 -6.268 -0.673 1.00 61.23 H new ATOM 0 HA LYS A 77 8.201 -6.580 -1.472 1.00 3.33 H new ATOM 0 HB2 LYS A 77 5.715 -6.079 -3.176 1.00 20.45 H new ATOM 0 HB3 LYS A 77 7.239 -6.704 -3.776 1.00 20.45 H new ATOM 0 HG2 LYS A 77 6.972 -8.730 -2.323 1.00 42.12 H new ATOM 0 HG3 LYS A 77 5.440 -8.107 -1.744 1.00 42.12 H new ATOM 0 HD2 LYS A 77 5.043 -9.772 -3.521 1.00 12.44 H new ATOM 0 HD3 LYS A 77 4.505 -8.194 -4.059 1.00 12.44 H new ATOM 0 HE2 LYS A 77 6.600 -7.895 -5.365 1.00 23.12 H new ATOM 0 HE3 LYS A 77 7.203 -9.435 -4.785 1.00 23.12 H new ATOM 0 HZ1 LYS A 77 6.275 -9.635 -6.998 1.00 22.24 H new ATOM 0 HZ2 LYS A 77 5.354 -10.547 -5.901 1.00 22.24 H new ATOM 0 HZ3 LYS A 77 4.771 -9.055 -6.463 1.00 22.24 H new ATOM 1268 N VAL A 78 6.863 -3.602 -2.178 1.00 51.02 N ATOM 1269 CA VAL A 78 7.127 -2.189 -2.532 1.00 32.12 C ATOM 1270 C VAL A 78 8.253 -1.598 -1.659 1.00 51.11 C ATOM 1271 O VAL A 78 9.285 -1.171 -2.178 1.00 73.21 O ATOM 1272 CB VAL A 78 5.807 -1.320 -2.390 1.00 10.14 C ATOM 1273 CG1 VAL A 78 6.066 0.190 -2.593 1.00 21.05 C ATOM 1274 CG2 VAL A 78 4.724 -1.814 -3.367 1.00 1.24 C ATOM 0 H VAL A 78 5.891 -3.778 -1.922 1.00 51.02 H new ATOM 0 HA VAL A 78 7.453 -2.161 -3.572 1.00 32.12 H new ATOM 0 HB VAL A 78 5.453 -1.450 -1.367 1.00 10.14 H new ATOM 0 HG11 VAL A 78 5.130 0.737 -2.485 1.00 21.05 H new ATOM 0 HG12 VAL A 78 6.779 0.540 -1.847 1.00 21.05 H new ATOM 0 HG13 VAL A 78 6.472 0.359 -3.590 1.00 21.05 H new ATOM 0 HG21 VAL A 78 3.827 -1.205 -3.254 1.00 1.24 H new ATOM 0 HG22 VAL A 78 5.092 -1.732 -4.390 1.00 1.24 H new ATOM 0 HG23 VAL A 78 4.486 -2.855 -3.150 1.00 1.24 H new ATOM 1284 N TYR A 79 8.058 -1.650 -0.330 1.00 62.50 N ATOM 1285 CA TYR A 79 9.000 -1.073 0.659 1.00 50.54 C ATOM 1286 C TYR A 79 10.326 -1.856 0.732 1.00 73.30 C ATOM 1287 O TYR A 79 11.366 -1.294 1.108 1.00 33.54 O ATOM 1288 CB TYR A 79 8.305 -0.948 2.048 1.00 73.13 C ATOM 1289 CG TYR A 79 7.415 0.304 2.161 1.00 55.01 C ATOM 1290 CD1 TYR A 79 6.235 0.429 1.419 1.00 23.54 C ATOM 1291 CD2 TYR A 79 7.783 1.381 2.978 1.00 13.55 C ATOM 1292 CE1 TYR A 79 5.459 1.571 1.498 1.00 61.31 C ATOM 1293 CE2 TYR A 79 7.009 2.521 3.048 1.00 32.25 C ATOM 1294 CZ TYR A 79 5.852 2.608 2.308 1.00 24.35 C ATOM 1295 OH TYR A 79 5.093 3.750 2.369 1.00 32.33 O ATOM 0 H TYR A 79 7.243 -2.093 0.095 1.00 62.50 H new ATOM 0 HA TYR A 79 9.271 -0.071 0.326 1.00 50.54 H new ATOM 0 HB2 TYR A 79 7.699 -1.836 2.227 1.00 73.13 H new ATOM 0 HB3 TYR A 79 9.066 -0.919 2.828 1.00 73.13 H new ATOM 0 HD1 TYR A 79 5.925 -0.380 0.774 1.00 23.54 H new ATOM 0 HD2 TYR A 79 8.688 1.318 3.563 1.00 13.55 H new ATOM 0 HE1 TYR A 79 4.547 1.647 0.925 1.00 61.31 H new ATOM 0 HE2 TYR A 79 7.310 3.342 3.681 1.00 32.25 H new ATOM 0 HH TYR A 79 5.628 4.479 2.747 1.00 32.33 H new ATOM 1305 N ALA A 80 10.285 -3.136 0.332 1.00 54.41 N ATOM 1306 CA ALA A 80 11.489 -3.965 0.197 1.00 41.44 C ATOM 1307 C ALA A 80 12.373 -3.456 -0.959 1.00 63.14 C ATOM 1308 O ALA A 80 13.602 -3.432 -0.852 1.00 64.31 O ATOM 1309 CB ALA A 80 11.104 -5.434 -0.015 1.00 41.43 C ATOM 0 H ALA A 80 9.420 -3.622 0.094 1.00 54.41 H new ATOM 0 HA ALA A 80 12.066 -3.892 1.119 1.00 41.44 H new ATOM 0 HB1 ALA A 80 12.007 -6.036 -0.113 1.00 41.43 H new ATOM 0 HB2 ALA A 80 10.525 -5.785 0.839 1.00 41.43 H new ATOM 0 HB3 ALA A 80 10.506 -5.526 -0.922 1.00 41.43 H new ATOM 1315 N GLU A 81 11.722 -3.032 -2.055 1.00 63.03 N ATOM 1316 CA GLU A 81 12.408 -2.461 -3.238 1.00 11.13 C ATOM 1317 C GLU A 81 12.862 -1.011 -2.977 1.00 52.02 C ATOM 1318 O GLU A 81 13.846 -0.551 -3.558 1.00 12.42 O ATOM 1319 CB GLU A 81 11.473 -2.543 -4.471 1.00 4.41 C ATOM 1320 CG GLU A 81 11.080 -3.986 -4.849 1.00 23.30 C ATOM 1321 CD GLU A 81 10.118 -4.064 -6.039 1.00 4.05 C ATOM 1322 OE1 GLU A 81 10.588 -3.984 -7.198 1.00 11.01 O ATOM 1323 OE2 GLU A 81 8.886 -4.187 -5.827 1.00 34.10 O ATOM 0 H GLU A 81 10.707 -3.073 -2.151 1.00 63.03 H new ATOM 0 HA GLU A 81 13.306 -3.045 -3.438 1.00 11.13 H new ATOM 0 HB2 GLU A 81 10.568 -1.969 -4.270 1.00 4.41 H new ATOM 0 HB3 GLU A 81 11.966 -2.074 -5.323 1.00 4.41 H new ATOM 0 HG2 GLU A 81 11.982 -4.551 -5.083 1.00 23.30 H new ATOM 0 HG3 GLU A 81 10.618 -4.467 -3.986 1.00 23.30 H new ATOM 1330 N LEU A 82 12.137 -0.310 -2.086 1.00 44.15 N ATOM 1331 CA LEU A 82 12.459 1.081 -1.695 1.00 75.24 C ATOM 1332 C LEU A 82 13.651 1.136 -0.720 1.00 62.44 C ATOM 1333 O LEU A 82 14.380 2.136 -0.676 1.00 65.30 O ATOM 1334 CB LEU A 82 11.209 1.751 -1.059 1.00 25.50 C ATOM 1335 CG LEU A 82 9.992 1.923 -2.020 1.00 35.23 C ATOM 1336 CD1 LEU A 82 8.737 2.421 -1.276 1.00 33.42 C ATOM 1337 CD2 LEU A 82 10.348 2.851 -3.193 1.00 24.44 C ATOM 0 H LEU A 82 11.314 -0.687 -1.617 1.00 44.15 H new ATOM 0 HA LEU A 82 12.746 1.627 -2.594 1.00 75.24 H new ATOM 0 HB2 LEU A 82 10.894 1.157 -0.201 1.00 25.50 H new ATOM 0 HB3 LEU A 82 11.495 2.732 -0.680 1.00 25.50 H new ATOM 0 HG LEU A 82 9.754 0.939 -2.424 1.00 35.23 H new ATOM 0 HD11 LEU A 82 7.914 2.527 -1.982 1.00 33.42 H new ATOM 0 HD12 LEU A 82 8.463 1.702 -0.504 1.00 33.42 H new ATOM 0 HD13 LEU A 82 8.946 3.386 -0.815 1.00 33.42 H new ATOM 0 HD21 LEU A 82 9.484 2.956 -3.849 1.00 24.44 H new ATOM 0 HD22 LEU A 82 10.632 3.831 -2.809 1.00 24.44 H new ATOM 0 HD23 LEU A 82 11.180 2.426 -3.754 1.00 24.44 H new ATOM 1349 N GLY A 83 13.839 0.052 0.045 1.00 12.24 N ATOM 1350 CA GLY A 83 14.955 -0.060 0.981 1.00 20.12 C ATOM 1351 C GLY A 83 14.690 -1.143 2.007 1.00 23.52 C ATOM 1352 O GLY A 83 14.183 -0.854 3.100 1.00 35.55 O ATOM 0 H GLY A 83 13.225 -0.763 0.030 1.00 12.24 H new ATOM 0 HA2 GLY A 83 15.871 -0.286 0.436 1.00 20.12 H new ATOM 0 HA3 GLY A 83 15.110 0.894 1.485 1.00 20.12 H new ATOM 1356 N TYR A 84 14.996 -2.404 1.643 1.00 73.53 N ATOM 1357 CA TYR A 84 14.793 -3.552 2.530 1.00 14.44 C ATOM 1358 C TYR A 84 15.794 -3.514 3.703 1.00 75.50 C ATOM 1359 O TYR A 84 16.971 -3.856 3.550 1.00 3.42 O ATOM 1360 CB TYR A 84 14.923 -4.892 1.760 1.00 34.44 C ATOM 1361 CG TYR A 84 14.527 -6.120 2.599 1.00 3.13 C ATOM 1362 CD1 TYR A 84 13.183 -6.394 2.865 1.00 2.12 C ATOM 1363 CD2 TYR A 84 15.485 -6.978 3.151 1.00 44.33 C ATOM 1364 CE1 TYR A 84 12.808 -7.474 3.639 1.00 32.12 C ATOM 1365 CE2 TYR A 84 15.111 -8.057 3.932 1.00 23.15 C ATOM 1366 CZ TYR A 84 13.774 -8.301 4.172 1.00 71.11 C ATOM 1367 OH TYR A 84 13.400 -9.370 4.966 1.00 42.41 O ATOM 0 H TYR A 84 15.387 -2.648 0.733 1.00 73.53 H new ATOM 0 HA TYR A 84 13.780 -3.487 2.927 1.00 14.44 H new ATOM 0 HB2 TYR A 84 14.296 -4.853 0.869 1.00 34.44 H new ATOM 0 HB3 TYR A 84 15.952 -5.009 1.421 1.00 34.44 H new ATOM 0 HD1 TYR A 84 12.421 -5.747 2.456 1.00 2.12 H new ATOM 0 HD2 TYR A 84 16.533 -6.795 2.964 1.00 44.33 H new ATOM 0 HE1 TYR A 84 11.763 -7.670 3.826 1.00 32.12 H new ATOM 0 HE2 TYR A 84 15.864 -8.707 4.353 1.00 23.15 H new ATOM 0 HH TYR A 84 14.200 -9.854 5.261 1.00 42.41 H new ATOM 1377 N ASN A 85 15.315 -3.016 4.842 1.00 50.44 N ATOM 1378 CA ASN A 85 16.013 -3.095 6.132 1.00 73.12 C ATOM 1379 C ASN A 85 15.089 -3.859 7.093 1.00 14.21 C ATOM 1380 O ASN A 85 15.362 -4.998 7.481 1.00 44.43 O ATOM 1381 CB ASN A 85 16.345 -1.667 6.660 1.00 61.12 C ATOM 1382 CG ASN A 85 17.128 -1.680 7.978 1.00 3.02 C ATOM 1383 OD1 ASN A 85 18.357 -1.699 7.979 1.00 0.32 O ATOM 1384 ND2 ASN A 85 16.431 -1.687 9.104 1.00 54.35 N ATOM 0 H ASN A 85 14.416 -2.537 4.899 1.00 50.44 H new ATOM 0 HA ASN A 85 16.965 -3.617 6.037 1.00 73.12 H new ATOM 0 HB2 ASN A 85 16.923 -1.133 5.906 1.00 61.12 H new ATOM 0 HB3 ASN A 85 15.417 -1.113 6.801 1.00 61.12 H new ATOM 0 HD21 ASN A 85 16.914 -1.709 10.002 1.00 54.35 H new ATOM 0 HD22 ASN A 85 15.412 -1.671 9.073 1.00 54.35 H new ATOM 1391 N ASP A 86 13.959 -3.219 7.419 1.00 45.24 N ATOM 1392 CA ASP A 86 12.862 -3.815 8.191 1.00 54.32 C ATOM 1393 C ASP A 86 11.563 -3.102 7.799 1.00 43.22 C ATOM 1394 O ASP A 86 11.589 -1.921 7.423 1.00 53.02 O ATOM 1395 CB ASP A 86 13.132 -3.719 9.721 1.00 33.04 C ATOM 1396 CG ASP A 86 11.972 -4.262 10.580 1.00 65.11 C ATOM 1397 OD1 ASP A 86 11.895 -5.493 10.784 1.00 43.34 O ATOM 1398 OD2 ASP A 86 11.122 -3.461 11.034 1.00 12.31 O ATOM 0 H ASP A 86 13.778 -2.252 7.148 1.00 45.24 H new ATOM 0 HA ASP A 86 12.778 -4.877 7.962 1.00 54.32 H new ATOM 0 HB2 ASP A 86 14.041 -4.273 9.958 1.00 33.04 H new ATOM 0 HB3 ASP A 86 13.315 -2.678 9.986 1.00 33.04 H new ATOM 1403 N ILE A 87 10.430 -3.815 7.878 1.00 53.24 N ATOM 1404 CA ILE A 87 9.128 -3.302 7.425 1.00 12.34 C ATOM 1405 C ILE A 87 8.168 -3.195 8.628 1.00 70.25 C ATOM 1406 O ILE A 87 7.746 -4.217 9.178 1.00 51.15 O ATOM 1407 CB ILE A 87 8.508 -4.236 6.308 1.00 64.22 C ATOM 1408 CG1 ILE A 87 9.526 -4.521 5.144 1.00 0.25 C ATOM 1409 CG2 ILE A 87 7.197 -3.643 5.748 1.00 55.14 C ATOM 1410 CD1 ILE A 87 10.005 -3.295 4.370 1.00 10.34 C ATOM 0 H ILE A 87 10.390 -4.761 8.257 1.00 53.24 H new ATOM 0 HA ILE A 87 9.275 -2.313 6.991 1.00 12.34 H new ATOM 0 HB ILE A 87 8.280 -5.189 6.785 1.00 64.22 H new ATOM 0 HG12 ILE A 87 10.396 -5.027 5.562 1.00 0.25 H new ATOM 0 HG13 ILE A 87 9.062 -5.213 4.441 1.00 0.25 H new ATOM 0 HG21 ILE A 87 6.795 -4.307 4.983 1.00 55.14 H new ATOM 0 HG22 ILE A 87 6.472 -3.538 6.555 1.00 55.14 H new ATOM 0 HG23 ILE A 87 7.398 -2.665 5.311 1.00 55.14 H new ATOM 0 HD11 ILE A 87 10.702 -3.606 3.592 1.00 10.34 H new ATOM 0 HD12 ILE A 87 9.150 -2.796 3.913 1.00 10.34 H new ATOM 0 HD13 ILE A 87 10.505 -2.607 5.052 1.00 10.34 H new ATOM 1422 N ASN A 88 7.834 -1.957 9.033 1.00 23.34 N ATOM 1423 CA ASN A 88 6.887 -1.698 10.134 1.00 51.11 C ATOM 1424 C ASN A 88 5.461 -1.632 9.556 1.00 13.11 C ATOM 1425 O ASN A 88 5.117 -0.682 8.849 1.00 41.51 O ATOM 1426 CB ASN A 88 7.230 -0.365 10.867 1.00 42.24 C ATOM 1427 CG ASN A 88 8.632 -0.316 11.496 1.00 43.04 C ATOM 1428 OD1 ASN A 88 9.247 0.743 11.564 1.00 51.42 O ATOM 1429 ND2 ASN A 88 9.142 -1.437 11.986 1.00 72.21 N ATOM 0 H ASN A 88 8.211 -1.110 8.608 1.00 23.34 H new ATOM 0 HA ASN A 88 6.959 -2.505 10.863 1.00 51.11 H new ATOM 0 HB2 ASN A 88 7.137 0.457 10.158 1.00 42.24 H new ATOM 0 HB3 ASN A 88 6.490 -0.197 11.650 1.00 42.24 H new ATOM 0 HD21 ASN A 88 10.061 -1.428 12.429 1.00 72.21 H new ATOM 0 HD22 ASN A 88 8.616 -2.308 11.920 1.00 72.21 H new ATOM 1436 N VAL A 89 4.656 -2.669 9.829 1.00 72.41 N ATOM 1437 CA VAL A 89 3.258 -2.751 9.374 1.00 72.14 C ATOM 1438 C VAL A 89 2.340 -2.373 10.542 1.00 34.23 C ATOM 1439 O VAL A 89 2.224 -3.131 11.512 1.00 65.41 O ATOM 1440 CB VAL A 89 2.890 -4.197 8.848 1.00 53.00 C ATOM 1441 CG1 VAL A 89 1.471 -4.230 8.217 1.00 64.33 C ATOM 1442 CG2 VAL A 89 3.965 -4.706 7.861 1.00 31.13 C ATOM 0 H VAL A 89 4.956 -3.478 10.373 1.00 72.41 H new ATOM 0 HA VAL A 89 3.125 -2.061 8.541 1.00 72.14 H new ATOM 0 HB VAL A 89 2.872 -4.873 9.703 1.00 53.00 H new ATOM 0 HG11 VAL A 89 1.252 -5.239 7.867 1.00 64.33 H new ATOM 0 HG12 VAL A 89 0.734 -3.937 8.964 1.00 64.33 H new ATOM 0 HG13 VAL A 89 1.430 -3.537 7.377 1.00 64.33 H new ATOM 0 HG21 VAL A 89 3.694 -5.702 7.510 1.00 31.13 H new ATOM 0 HG22 VAL A 89 4.029 -4.027 7.011 1.00 31.13 H new ATOM 0 HG23 VAL A 89 4.931 -4.749 8.365 1.00 31.13 H new ATOM 1452 N THR A 90 1.733 -1.185 10.468 1.00 45.42 N ATOM 1453 CA THR A 90 0.774 -0.714 11.466 1.00 14.14 C ATOM 1454 C THR A 90 -0.642 -1.049 10.985 1.00 54.32 C ATOM 1455 O THR A 90 -1.153 -0.425 10.049 1.00 50.44 O ATOM 1456 CB THR A 90 0.930 0.834 11.686 1.00 54.11 C ATOM 1457 OG1 THR A 90 2.286 1.128 12.064 1.00 75.44 O ATOM 1458 CG2 THR A 90 -0.022 1.377 12.764 1.00 50.13 C ATOM 0 H THR A 90 1.895 -0.522 9.710 1.00 45.42 H new ATOM 0 HA THR A 90 0.962 -1.209 12.419 1.00 14.14 H new ATOM 0 HB THR A 90 0.674 1.322 10.746 1.00 54.11 H new ATOM 0 HG1 THR A 90 2.386 2.093 12.200 1.00 75.44 H new ATOM 0 HG21 THR A 90 0.128 2.451 12.875 1.00 50.13 H new ATOM 0 HG22 THR A 90 -1.053 1.183 12.469 1.00 50.13 H new ATOM 0 HG23 THR A 90 0.183 0.882 13.713 1.00 50.13 H new ATOM 1466 N TRP A 91 -1.265 -2.057 11.609 1.00 52.23 N ATOM 1467 CA TRP A 91 -2.640 -2.443 11.293 1.00 72.13 C ATOM 1468 C TRP A 91 -3.575 -1.656 12.224 1.00 0.43 C ATOM 1469 O TRP A 91 -3.610 -1.891 13.433 1.00 53.14 O ATOM 1470 CB TRP A 91 -2.838 -3.979 11.427 1.00 33.40 C ATOM 1471 CG TRP A 91 -4.191 -4.487 10.951 1.00 54.43 C ATOM 1472 CD1 TRP A 91 -4.871 -4.086 9.831 1.00 73.40 C ATOM 1473 CD2 TRP A 91 -5.005 -5.511 11.555 1.00 54.33 C ATOM 1474 NE1 TRP A 91 -6.054 -4.766 9.722 1.00 40.50 N ATOM 1475 CE2 TRP A 91 -6.158 -5.652 10.758 1.00 14.21 C ATOM 1476 CE3 TRP A 91 -4.874 -6.318 12.692 1.00 5.32 C ATOM 1477 CZ2 TRP A 91 -7.170 -6.560 11.058 1.00 54.01 C ATOM 1478 CZ3 TRP A 91 -5.882 -7.221 12.991 1.00 31.43 C ATOM 1479 CH2 TRP A 91 -7.015 -7.336 12.176 1.00 30.43 C ATOM 0 H TRP A 91 -0.832 -2.621 12.340 1.00 52.23 H new ATOM 0 HA TRP A 91 -2.873 -2.201 10.256 1.00 72.13 H new ATOM 0 HB2 TRP A 91 -2.055 -4.484 10.861 1.00 33.40 H new ATOM 0 HB3 TRP A 91 -2.706 -4.259 12.472 1.00 33.40 H new ATOM 0 HD1 TRP A 91 -4.523 -3.339 9.133 1.00 73.40 H new ATOM 0 HE1 TRP A 91 -6.747 -4.633 8.986 1.00 40.50 H new ATOM 0 HE3 TRP A 91 -4.003 -6.238 13.325 1.00 5.32 H new ATOM 0 HZ2 TRP A 91 -8.045 -6.649 10.432 1.00 54.01 H new ATOM 0 HZ3 TRP A 91 -5.792 -7.846 13.867 1.00 31.43 H new ATOM 0 HH2 TRP A 91 -7.782 -8.051 12.434 1.00 30.43 H new ATOM 1490 N ASP A 92 -4.261 -0.669 11.637 1.00 53.23 N ATOM 1491 CA ASP A 92 -5.280 0.158 12.313 1.00 53.44 C ATOM 1492 C ASP A 92 -6.551 -0.658 12.631 1.00 50.00 C ATOM 1493 O ASP A 92 -7.365 -0.242 13.463 1.00 75.41 O ATOM 1494 CB ASP A 92 -5.652 1.357 11.401 1.00 73.21 C ATOM 1495 CG ASP A 92 -4.424 2.186 10.981 1.00 15.44 C ATOM 1496 OD1 ASP A 92 -4.040 3.118 11.718 1.00 42.41 O ATOM 1497 OD2 ASP A 92 -3.832 1.898 9.916 1.00 12.11 O ATOM 0 H ASP A 92 -4.124 -0.414 10.659 1.00 53.23 H new ATOM 0 HA ASP A 92 -4.862 0.513 13.255 1.00 53.44 H new ATOM 0 HB2 ASP A 92 -6.158 0.987 10.509 1.00 73.21 H new ATOM 0 HB3 ASP A 92 -6.359 2.001 11.924 1.00 73.21 H new ATOM 1502 N GLY A 93 -6.706 -1.812 11.950 1.00 45.45 N ATOM 1503 CA GLY A 93 -7.890 -2.673 12.073 1.00 74.13 C ATOM 1504 C GLY A 93 -8.690 -2.681 10.777 1.00 45.31 C ATOM 1505 O GLY A 93 -9.089 -3.734 10.275 1.00 21.43 O ATOM 0 H GLY A 93 -6.008 -2.170 11.298 1.00 45.45 H new ATOM 0 HA2 GLY A 93 -7.582 -3.689 12.322 1.00 74.13 H new ATOM 0 HA3 GLY A 93 -8.518 -2.321 12.891 1.00 74.13 H new ATOM 1509 N ASP A 94 -8.924 -1.474 10.255 1.00 20.44 N ATOM 1510 CA ASP A 94 -9.625 -1.234 8.973 1.00 4.51 C ATOM 1511 C ASP A 94 -8.618 -0.855 7.872 1.00 52.14 C ATOM 1512 O ASP A 94 -8.997 -0.725 6.704 1.00 61.53 O ATOM 1513 CB ASP A 94 -10.685 -0.103 9.150 1.00 75.21 C ATOM 1514 CG ASP A 94 -10.053 1.257 9.518 1.00 12.32 C ATOM 1515 OD1 ASP A 94 -9.612 1.416 10.677 1.00 33.24 O ATOM 1516 OD2 ASP A 94 -9.977 2.163 8.655 1.00 0.25 O ATOM 0 H ASP A 94 -8.629 -0.613 10.715 1.00 20.44 H new ATOM 0 HA ASP A 94 -10.133 -2.151 8.674 1.00 4.51 H new ATOM 0 HB2 ASP A 94 -11.253 0.004 8.226 1.00 75.21 H new ATOM 0 HB3 ASP A 94 -11.392 -0.392 9.928 1.00 75.21 H new ATOM 1521 N THR A 95 -7.336 -0.653 8.260 1.00 32.11 N ATOM 1522 CA THR A 95 -6.267 -0.206 7.346 1.00 70.20 C ATOM 1523 C THR A 95 -4.896 -0.817 7.746 1.00 73.23 C ATOM 1524 O THR A 95 -4.654 -1.048 8.923 1.00 52.14 O ATOM 1525 CB THR A 95 -6.192 1.360 7.361 1.00 40.42 C ATOM 1526 OG1 THR A 95 -7.468 1.916 6.988 1.00 10.51 O ATOM 1527 CG2 THR A 95 -5.124 1.910 6.413 1.00 72.11 C ATOM 0 H THR A 95 -7.017 -0.797 9.218 1.00 32.11 H new ATOM 0 HA THR A 95 -6.501 -0.550 6.339 1.00 70.20 H new ATOM 0 HB THR A 95 -5.923 1.650 8.377 1.00 40.42 H new ATOM 0 HG1 THR A 95 -8.082 1.867 7.751 1.00 10.51 H new ATOM 0 HG21 THR A 95 -5.117 2.999 6.465 1.00 72.11 H new ATOM 0 HG22 THR A 95 -4.146 1.527 6.705 1.00 72.11 H new ATOM 0 HG23 THR A 95 -5.347 1.597 5.393 1.00 72.11 H new ATOM 1535 N VAL A 96 -4.028 -1.115 6.745 1.00 12.34 N ATOM 1536 CA VAL A 96 -2.583 -1.387 6.966 1.00 52.53 C ATOM 1537 C VAL A 96 -1.745 -0.193 6.442 1.00 51.44 C ATOM 1538 O VAL A 96 -1.654 0.048 5.233 1.00 14.22 O ATOM 1539 CB VAL A 96 -2.079 -2.736 6.292 1.00 14.21 C ATOM 1540 CG1 VAL A 96 -2.515 -3.968 7.111 1.00 42.21 C ATOM 1541 CG2 VAL A 96 -2.540 -2.862 4.811 1.00 25.21 C ATOM 0 H VAL A 96 -4.308 -1.173 5.766 1.00 12.34 H new ATOM 0 HA VAL A 96 -2.448 -1.511 8.041 1.00 52.53 H new ATOM 0 HB VAL A 96 -0.990 -2.698 6.288 1.00 14.21 H new ATOM 0 HG11 VAL A 96 -2.155 -4.874 6.624 1.00 42.21 H new ATOM 0 HG12 VAL A 96 -2.096 -3.904 8.115 1.00 42.21 H new ATOM 0 HG13 VAL A 96 -3.603 -3.997 7.173 1.00 42.21 H new ATOM 0 HG21 VAL A 96 -2.172 -3.799 4.394 1.00 25.21 H new ATOM 0 HG22 VAL A 96 -3.629 -2.848 4.766 1.00 25.21 H new ATOM 0 HG23 VAL A 96 -2.143 -2.027 4.234 1.00 25.21 H new ATOM 1551 N THR A 97 -1.175 0.572 7.376 1.00 4.14 N ATOM 1552 CA THR A 97 -0.203 1.625 7.077 1.00 43.30 C ATOM 1553 C THR A 97 1.213 1.033 7.214 1.00 11.13 C ATOM 1554 O THR A 97 1.704 0.815 8.324 1.00 71.03 O ATOM 1555 CB THR A 97 -0.391 2.836 8.058 1.00 52.12 C ATOM 1556 OG1 THR A 97 -1.758 3.293 8.003 1.00 72.22 O ATOM 1557 CG2 THR A 97 0.555 4.009 7.733 1.00 5.42 C ATOM 0 H THR A 97 -1.378 0.476 8.371 1.00 4.14 H new ATOM 0 HA THR A 97 -0.353 1.992 6.062 1.00 43.30 H new ATOM 0 HB THR A 97 -0.145 2.485 9.060 1.00 52.12 H new ATOM 0 HG1 THR A 97 -2.293 2.804 8.663 1.00 72.22 H new ATOM 0 HG21 THR A 97 0.385 4.821 8.440 1.00 5.42 H new ATOM 0 HG22 THR A 97 1.589 3.674 7.808 1.00 5.42 H new ATOM 0 HG23 THR A 97 0.361 4.363 6.721 1.00 5.42 H new ATOM 1565 N VAL A 98 1.839 0.743 6.071 1.00 13.23 N ATOM 1566 CA VAL A 98 3.212 0.226 6.009 1.00 44.05 C ATOM 1567 C VAL A 98 4.184 1.401 5.836 1.00 14.32 C ATOM 1568 O VAL A 98 3.980 2.273 4.984 1.00 12.00 O ATOM 1569 CB VAL A 98 3.370 -0.825 4.848 1.00 64.13 C ATOM 1570 CG1 VAL A 98 4.836 -1.255 4.632 1.00 43.44 C ATOM 1571 CG2 VAL A 98 2.460 -2.055 5.100 1.00 21.32 C ATOM 0 H VAL A 98 1.406 0.860 5.155 1.00 13.23 H new ATOM 0 HA VAL A 98 3.444 -0.292 6.940 1.00 44.05 H new ATOM 0 HB VAL A 98 3.052 -0.336 3.928 1.00 64.13 H new ATOM 0 HG11 VAL A 98 4.887 -1.980 3.820 1.00 43.44 H new ATOM 0 HG12 VAL A 98 5.437 -0.382 4.377 1.00 43.44 H new ATOM 0 HG13 VAL A 98 5.221 -1.706 5.546 1.00 43.44 H new ATOM 0 HG21 VAL A 98 2.583 -2.771 4.287 1.00 21.32 H new ATOM 0 HG22 VAL A 98 2.737 -2.526 6.043 1.00 21.32 H new ATOM 0 HG23 VAL A 98 1.419 -1.734 5.147 1.00 21.32 H new ATOM 1581 N GLU A 99 5.225 1.403 6.671 1.00 62.44 N ATOM 1582 CA GLU A 99 6.246 2.453 6.719 1.00 73.44 C ATOM 1583 C GLU A 99 7.573 1.829 7.190 1.00 74.14 C ATOM 1584 O GLU A 99 7.575 0.752 7.793 1.00 34.42 O ATOM 1585 CB GLU A 99 5.781 3.591 7.684 1.00 52.24 C ATOM 1586 CG GLU A 99 6.726 4.809 7.748 1.00 35.02 C ATOM 1587 CD GLU A 99 6.253 5.930 8.691 1.00 62.24 C ATOM 1588 OE1 GLU A 99 5.808 5.633 9.815 1.00 0.23 O ATOM 1589 OE2 GLU A 99 6.323 7.123 8.306 1.00 75.32 O ATOM 0 H GLU A 99 5.386 0.658 7.348 1.00 62.44 H new ATOM 0 HA GLU A 99 6.393 2.890 5.731 1.00 73.44 H new ATOM 0 HB2 GLU A 99 4.793 3.931 7.373 1.00 52.24 H new ATOM 0 HB3 GLU A 99 5.675 3.177 8.687 1.00 52.24 H new ATOM 0 HG2 GLU A 99 7.712 4.472 8.069 1.00 35.02 H new ATOM 0 HG3 GLU A 99 6.840 5.219 6.744 1.00 35.02 H new ATOM 1596 N GLY A 100 8.699 2.489 6.876 1.00 13.14 N ATOM 1597 CA GLY A 100 9.994 2.118 7.443 1.00 22.02 C ATOM 1598 C GLY A 100 10.203 2.735 8.828 1.00 73.34 C ATOM 1599 O GLY A 100 9.435 3.608 9.256 1.00 52.32 O ATOM 0 H GLY A 100 8.733 3.280 6.233 1.00 13.14 H new ATOM 0 HA2 GLY A 100 10.063 1.032 7.514 1.00 22.02 H new ATOM 0 HA3 GLY A 100 10.791 2.445 6.775 1.00 22.02 H new ATOM 1603 N GLN A 101 11.246 2.285 9.518 1.00 33.43 N ATOM 1604 CA GLN A 101 11.617 2.782 10.862 1.00 53.33 C ATOM 1605 C GLN A 101 12.410 4.076 10.743 1.00 3.50 C ATOM 1606 O GLN A 101 13.144 4.285 9.761 1.00 61.04 O ATOM 1607 CB GLN A 101 12.411 1.715 11.708 1.00 52.25 C ATOM 1608 CG GLN A 101 13.586 0.992 11.008 1.00 32.41 C ATOM 1609 CD GLN A 101 13.150 -0.033 9.950 1.00 73.21 C ATOM 1610 OE1 GLN A 101 13.855 -0.273 8.974 1.00 22.43 O ATOM 1611 NE2 GLN A 101 11.970 -0.635 10.121 1.00 12.54 N ATOM 0 H GLN A 101 11.871 1.559 9.167 1.00 33.43 H new ATOM 0 HA GLN A 101 10.690 2.977 11.401 1.00 53.33 H new ATOM 0 HB2 GLN A 101 12.801 2.211 12.597 1.00 52.25 H new ATOM 0 HB3 GLN A 101 11.703 0.959 12.048 1.00 52.25 H new ATOM 0 HG2 GLN A 101 14.227 1.736 10.535 1.00 32.41 H new ATOM 0 HG3 GLN A 101 14.188 0.486 11.762 1.00 32.41 H new ATOM 0 HE21 GLN A 101 11.401 -0.420 10.940 1.00 12.54 H new ATOM 0 HE22 GLN A 101 11.637 -1.310 9.433 1.00 12.54 H new ATOM 1620 N LEU A 102 12.226 4.965 11.736 1.00 20.52 N ATOM 1621 CA LEU A 102 13.030 6.187 11.857 1.00 50.35 C ATOM 1622 C LEU A 102 14.417 5.835 12.417 1.00 55.23 C ATOM 1623 O LEU A 102 14.592 4.766 13.027 1.00 30.04 O ATOM 1624 CB LEU A 102 12.323 7.280 12.732 1.00 71.23 C ATOM 1625 CG LEU A 102 12.288 7.083 14.296 1.00 74.32 C ATOM 1626 CD1 LEU A 102 11.896 8.398 15.017 1.00 34.53 C ATOM 1627 CD2 LEU A 102 11.341 5.943 14.723 1.00 31.31 C ATOM 0 H LEU A 102 11.523 4.856 12.467 1.00 20.52 H new ATOM 0 HA LEU A 102 13.144 6.619 10.863 1.00 50.35 H new ATOM 0 HB2 LEU A 102 12.810 8.234 12.529 1.00 71.23 H new ATOM 0 HB3 LEU A 102 11.293 7.367 12.385 1.00 71.23 H new ATOM 0 HG LEU A 102 13.298 6.803 14.595 1.00 74.32 H new ATOM 0 HD11 LEU A 102 11.880 8.232 16.094 1.00 34.53 H new ATOM 0 HD12 LEU A 102 12.624 9.174 14.780 1.00 34.53 H new ATOM 0 HD13 LEU A 102 10.908 8.715 14.684 1.00 34.53 H new ATOM 0 HD21 LEU A 102 11.353 5.848 15.809 1.00 31.31 H new ATOM 0 HD22 LEU A 102 10.328 6.167 14.389 1.00 31.31 H new ATOM 0 HD23 LEU A 102 11.672 5.007 14.273 1.00 31.31 H new ATOM 1639 N GLU A 103 15.390 6.738 12.192 1.00 62.32 N ATOM 1640 CA GLU A 103 16.789 6.558 12.636 1.00 63.42 C ATOM 1641 C GLU A 103 16.875 6.486 14.179 1.00 53.31 C ATOM 1642 O GLU A 103 17.803 5.878 14.733 1.00 34.12 O ATOM 1643 CB GLU A 103 17.683 7.693 12.052 1.00 31.01 C ATOM 1644 CG GLU A 103 19.188 7.576 12.384 1.00 3.23 C ATOM 1645 CD GLU A 103 20.073 8.535 11.572 1.00 53.31 C ATOM 1646 OE1 GLU A 103 20.164 9.724 11.935 1.00 62.53 O ATOM 1647 OE2 GLU A 103 20.669 8.104 10.558 1.00 11.13 O ATOM 0 H GLU A 103 15.230 7.615 11.697 1.00 62.32 H new ATOM 0 HA GLU A 103 17.164 5.608 12.255 1.00 63.42 H new ATOM 0 HB2 GLU A 103 17.565 7.706 10.968 1.00 31.01 H new ATOM 0 HB3 GLU A 103 17.318 8.650 12.424 1.00 31.01 H new ATOM 0 HG2 GLU A 103 19.334 7.772 13.446 1.00 3.23 H new ATOM 0 HG3 GLU A 103 19.513 6.552 12.201 1.00 3.23 H new ATOM 1654 N GLY A 104 15.874 7.094 14.853 1.00 31.32 N ATOM 1655 CA GLY A 104 15.693 6.974 16.299 1.00 44.10 C ATOM 1656 C GLY A 104 16.577 7.929 17.084 1.00 5.31 C ATOM 1657 O GLY A 104 17.719 8.190 16.684 1.00 54.45 O ATOM 0 H GLY A 104 15.173 7.680 14.400 1.00 31.32 H new ATOM 0 HA2 GLY A 104 14.649 7.165 16.547 1.00 44.10 H new ATOM 0 HA3 GLY A 104 15.911 5.950 16.604 1.00 44.10 H new ATOM 1661 N VAL A 105 16.052 8.459 18.206 1.00 15.20 N ATOM 1662 CA VAL A 105 16.809 9.363 19.087 1.00 63.41 C ATOM 1663 C VAL A 105 17.835 8.534 19.882 1.00 41.31 C ATOM 1664 O VAL A 105 17.540 8.024 20.969 1.00 51.32 O ATOM 1665 CB VAL A 105 15.868 10.189 20.053 1.00 43.43 C ATOM 1666 CG1 VAL A 105 16.682 11.205 20.893 1.00 62.43 C ATOM 1667 CG2 VAL A 105 14.733 10.888 19.259 1.00 3.25 C ATOM 0 H VAL A 105 15.100 8.274 18.523 1.00 15.20 H new ATOM 0 HA VAL A 105 17.326 10.098 18.470 1.00 63.41 H new ATOM 0 HB VAL A 105 15.402 9.490 20.748 1.00 43.43 H new ATOM 0 HG11 VAL A 105 16.009 11.758 21.548 1.00 62.43 H new ATOM 0 HG12 VAL A 105 17.418 10.672 21.496 1.00 62.43 H new ATOM 0 HG13 VAL A 105 17.193 11.900 20.227 1.00 62.43 H new ATOM 0 HG21 VAL A 105 14.100 11.449 19.947 1.00 3.25 H new ATOM 0 HG22 VAL A 105 15.167 11.569 18.527 1.00 3.25 H new ATOM 0 HG23 VAL A 105 14.133 10.137 18.745 1.00 3.25 H new ATOM 1677 N ASP A 106 19.015 8.346 19.273 1.00 53.43 N ATOM 1678 CA ASP A 106 20.118 7.562 19.844 1.00 61.20 C ATOM 1679 C ASP A 106 20.797 8.366 20.974 1.00 72.41 C ATOM 1680 O ASP A 106 20.695 7.966 22.151 1.00 12.31 O ATOM 1681 CB ASP A 106 21.124 7.189 18.722 1.00 1.44 C ATOM 1682 CG ASP A 106 22.351 6.401 19.217 1.00 22.25 C ATOM 1683 OD1 ASP A 106 22.245 5.168 19.393 1.00 23.51 O ATOM 1684 OD2 ASP A 106 23.431 7.006 19.414 1.00 44.20 O ATOM 1685 OXT ASP A 106 21.379 9.434 20.679 1.00 38.33 O ATOM 0 H ASP A 106 19.232 8.740 18.358 1.00 53.43 H new ATOM 0 HA ASP A 106 19.735 6.637 20.275 1.00 61.20 H new ATOM 0 HB2 ASP A 106 20.607 6.598 17.966 1.00 1.44 H new ATOM 0 HB3 ASP A 106 21.464 8.103 18.235 1.00 1.44 H new TER 1690 ASP A 106