USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 737 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 70 SER OG : rot -179:sc= -0.481 USER MOD Set 1.2: A 73 ASN : amide:sc= 1.25 K(o=2.6,f=-0.97!) USER MOD Set 1.3: A 75 TYR OH : rot -153:sc= 1.84 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 160:sc= 0.0848 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot -117:sc= 0.317 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 85 SER OG : rot 180:sc= 0.00295 USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.24 (180deg=0.594) USER MOD Single : A 3 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.99) USER MOD Single : A 11 SER OG : rot 13:sc= 1.23 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 18 GLN :FLIP amide:sc=-0.000427 F(o=-1.2,f=-0.00043) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -59:sc= 0.186 USER MOD Single : A 31 TYR OH : rot -130:sc= 0.0967 USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.203) USER MOD Single : A 43 THR OG1 : rot 180:sc=0.000584 USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0618) USER MOD Single : A 48 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0747 USER MOD Single : A 58 GLN : amide:sc= -1.12! C(o=-1.1!,f=-1.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 64 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.943 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -25:sc= 0.886 USER MOD Single : A 89 GLN : amide:sc= -0.0496 K(o=-0.05,f=-1.1) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.331 F(o=-1.5,f=-0.33) USER MOD Single : A 96 THR OG1 : rot 108:sc= 0.306 USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= 0.421 (180deg=-2!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.190 -0.737 3.549 1.00 1.09 N ATOM 2 CA MET A 1 16.952 -1.214 4.203 1.00 0.39 C ATOM 3 C MET A 1 15.754 -0.412 3.723 1.00 0.30 C ATOM 4 O MET A 1 15.807 0.817 3.641 1.00 0.45 O ATOM 5 CB MET A 1 17.072 -1.116 5.728 1.00 1.38 C ATOM 6 CG MET A 1 18.085 -2.081 6.333 1.00 2.13 C ATOM 7 SD MET A 1 19.776 -1.768 5.785 1.00 3.23 S ATOM 8 CE MET A 1 20.655 -3.077 6.636 1.00 3.75 C ATOM 0 H1 MET A 1 19.014 -1.021 4.116 1.00 1.09 H new ATOM 0 H2 MET A 1 18.263 -1.154 2.599 1.00 1.09 H new ATOM 0 H3 MET A 1 18.164 0.300 3.471 1.00 1.09 H new ATOM 0 HA MET A 1 16.807 -2.260 3.932 1.00 0.39 H new ATOM 0 HB2 MET A 1 17.352 -0.097 5.996 1.00 1.38 H new ATOM 0 HB3 MET A 1 16.095 -1.305 6.172 1.00 1.38 H new ATOM 0 HG2 MET A 1 18.042 -2.009 7.420 1.00 2.13 H new ATOM 0 HG3 MET A 1 17.807 -3.102 6.070 1.00 2.13 H new ATOM 0 HE1 MET A 1 21.717 -3.017 6.397 1.00 3.75 H new ATOM 0 HE2 MET A 1 20.518 -2.968 7.712 1.00 3.75 H new ATOM 0 HE3 MET A 1 20.265 -4.044 6.317 1.00 3.75 H new ATOM 20 N VAL A 2 14.683 -1.113 3.386 1.00 0.15 N ATOM 21 CA VAL A 2 13.452 -0.471 2.960 1.00 0.10 C ATOM 22 C VAL A 2 12.467 -0.406 4.135 1.00 0.09 C ATOM 23 O VAL A 2 12.578 -1.173 5.089 1.00 0.12 O ATOM 24 CB VAL A 2 12.810 -1.213 1.755 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.593 -0.475 1.261 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.803 -1.375 0.618 1.00 0.09 C ATOM 0 H VAL A 2 14.643 -2.132 3.400 1.00 0.15 H new ATOM 0 HA VAL A 2 13.691 0.541 2.633 1.00 0.10 H new ATOM 0 HB VAL A 2 12.512 -2.203 2.101 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.159 -1.012 0.417 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.859 -0.406 2.063 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.879 0.528 0.944 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.325 -1.898 -0.211 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.137 -0.393 0.284 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.661 -1.951 0.964 1.00 0.09 H new ATOM 36 N GLN A 3 11.534 0.527 4.063 1.00 0.09 N ATOM 37 CA GLN A 3 10.532 0.751 5.086 1.00 0.10 C ATOM 38 C GLN A 3 9.172 0.652 4.436 1.00 0.11 C ATOM 39 O GLN A 3 9.077 0.650 3.210 1.00 0.17 O ATOM 40 CB GLN A 3 10.693 2.142 5.691 1.00 0.16 C ATOM 41 CG GLN A 3 12.015 2.388 6.363 1.00 0.79 C ATOM 42 CD GLN A 3 12.373 1.337 7.396 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.500 0.749 8.033 1.00 1.37 O ATOM 44 NE2 GLN A 3 13.662 1.101 7.578 1.00 2.03 N ATOM 0 H GLN A 3 11.452 1.165 3.271 1.00 0.09 H new ATOM 0 HA GLN A 3 10.643 0.010 5.878 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.558 2.883 4.903 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.897 2.301 6.418 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.798 2.423 5.605 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.993 3.366 6.844 1.00 0.79 H new ATOM 0 HE21 GLN A 3 14.356 1.609 7.030 1.00 2.03 H new ATOM 0 HE22 GLN A 3 13.962 0.411 8.266 1.00 2.03 H new ATOM 53 N CYS A 4 8.118 0.573 5.219 1.00 0.12 N ATOM 54 CA CYS A 4 6.821 0.412 4.621 1.00 0.13 C ATOM 55 C CYS A 4 5.718 1.137 5.363 1.00 0.17 C ATOM 56 O CYS A 4 5.825 1.437 6.555 1.00 0.29 O ATOM 57 CB CYS A 4 6.505 -1.072 4.440 1.00 0.17 C ATOM 58 SG CYS A 4 6.245 -2.073 5.965 1.00 0.30 S ATOM 0 H CYS A 4 8.134 0.616 6.238 1.00 0.12 H new ATOM 0 HA CYS A 4 6.862 0.886 3.640 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.608 -1.153 3.826 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.320 -1.524 3.875 1.00 0.17 H new ATOM 63 N GLU A 5 4.679 1.439 4.605 1.00 0.14 N ATOM 64 CA GLU A 5 3.464 2.065 5.080 1.00 0.16 C ATOM 65 C GLU A 5 2.346 1.694 4.121 1.00 0.15 C ATOM 66 O GLU A 5 2.586 1.030 3.112 1.00 0.17 O ATOM 67 CB GLU A 5 3.590 3.594 5.148 1.00 0.24 C ATOM 68 CG GLU A 5 4.626 4.084 6.139 1.00 0.33 C ATOM 69 CD GLU A 5 4.687 5.591 6.232 1.00 1.14 C ATOM 70 OE1 GLU A 5 5.049 6.234 5.225 1.00 1.87 O ATOM 71 OE2 GLU A 5 4.361 6.143 7.302 1.00 1.39 O ATOM 0 H GLU A 5 4.661 1.246 3.604 1.00 0.14 H new ATOM 0 HA GLU A 5 3.259 1.713 6.091 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.843 3.972 4.157 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.621 4.017 5.413 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.402 3.673 7.124 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.606 3.703 5.850 1.00 0.33 H new ATOM 78 N VAL A 6 1.136 2.106 4.432 1.00 0.17 N ATOM 79 CA VAL A 6 -0.018 1.769 3.631 1.00 0.18 C ATOM 80 C VAL A 6 -0.966 2.947 3.528 1.00 0.21 C ATOM 81 O VAL A 6 -1.377 3.516 4.539 1.00 0.33 O ATOM 82 CB VAL A 6 -0.757 0.572 4.226 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.145 -0.729 3.732 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.707 0.644 5.744 1.00 0.20 C ATOM 0 H VAL A 6 0.926 2.683 5.246 1.00 0.17 H new ATOM 0 HA VAL A 6 0.336 1.511 2.633 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.798 0.600 3.905 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.683 -1.572 4.165 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.215 -0.774 2.645 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.902 -0.775 4.031 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.235 -0.211 6.166 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.331 0.629 6.075 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.182 1.566 6.080 1.00 0.20 H new ATOM 94 N GLU A 7 -1.304 3.317 2.306 1.00 0.16 N ATOM 95 CA GLU A 7 -2.159 4.469 2.087 1.00 0.16 C ATOM 96 C GLU A 7 -3.359 4.129 1.226 1.00 0.16 C ATOM 97 O GLU A 7 -3.344 3.184 0.435 1.00 0.28 O ATOM 98 CB GLU A 7 -1.387 5.608 1.414 1.00 0.26 C ATOM 99 CG GLU A 7 0.049 5.753 1.874 1.00 0.24 C ATOM 100 CD GLU A 7 0.549 7.182 1.780 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.440 7.792 0.690 1.00 2.01 O ATOM 102 OE2 GLU A 7 1.072 7.694 2.791 1.00 1.11 O ATOM 0 H GLU A 7 -1.002 2.841 1.456 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.505 4.784 3.071 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.395 5.448 0.336 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.911 6.545 1.601 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.133 5.409 2.905 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.687 5.108 1.270 1.00 0.24 H new ATOM 109 N ALA A 8 -4.392 4.923 1.398 1.00 0.14 N ATOM 110 CA ALA A 8 -5.567 4.868 0.564 1.00 0.12 C ATOM 111 C ALA A 8 -5.853 6.276 0.052 1.00 0.15 C ATOM 112 O ALA A 8 -5.979 7.207 0.840 1.00 0.17 O ATOM 113 CB ALA A 8 -6.733 4.341 1.372 1.00 0.13 C ATOM 0 H ALA A 8 -4.438 5.632 2.130 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.411 4.200 -0.283 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.622 4.299 0.743 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.500 3.341 1.738 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.918 5.003 2.218 1.00 0.13 H new ATOM 119 N ALA A 9 -5.950 6.438 -1.251 1.00 0.16 N ATOM 120 CA ALA A 9 -6.124 7.757 -1.839 1.00 0.19 C ATOM 121 C ALA A 9 -7.526 7.917 -2.401 1.00 0.19 C ATOM 122 O ALA A 9 -7.849 7.379 -3.457 1.00 0.20 O ATOM 123 CB ALA A 9 -5.086 7.982 -2.923 1.00 0.22 C ATOM 0 H ALA A 9 -5.912 5.675 -1.926 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.987 8.506 -1.059 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.223 8.972 -3.358 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.088 7.911 -2.491 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.201 7.225 -3.699 1.00 0.22 H new ATOM 129 N VAL A 10 -8.355 8.667 -1.703 1.00 0.22 N ATOM 130 CA VAL A 10 -9.736 8.838 -2.110 1.00 0.23 C ATOM 131 C VAL A 10 -9.894 9.990 -3.088 1.00 0.27 C ATOM 132 O VAL A 10 -9.493 11.120 -2.812 1.00 0.33 O ATOM 133 CB VAL A 10 -10.661 9.066 -0.903 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.068 9.410 -1.369 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.675 7.832 -0.016 1.00 0.27 C ATOM 0 H VAL A 10 -8.097 9.167 -0.852 1.00 0.22 H new ATOM 0 HA VAL A 10 -10.026 7.912 -2.606 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.281 9.906 -0.322 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.710 9.568 -0.502 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.040 10.319 -1.971 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.463 8.590 -1.968 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.333 8.004 0.836 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -11.037 6.977 -0.587 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.665 7.629 0.341 1.00 0.27 H new ATOM 145 N SER A 11 -10.473 9.681 -4.232 1.00 0.29 N ATOM 146 CA SER A 11 -10.816 10.680 -5.221 1.00 0.36 C ATOM 147 C SER A 11 -12.312 10.596 -5.510 1.00 0.45 C ATOM 148 O SER A 11 -12.998 9.747 -4.938 1.00 0.63 O ATOM 149 CB SER A 11 -9.991 10.480 -6.493 1.00 0.45 C ATOM 150 OG SER A 11 -10.056 9.137 -6.943 1.00 1.22 O ATOM 0 H SER A 11 -10.719 8.728 -4.501 1.00 0.29 H new ATOM 0 HA SER A 11 -10.585 11.674 -4.838 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.357 11.146 -7.275 1.00 0.45 H new ATOM 0 HB3 SER A 11 -8.953 10.752 -6.302 1.00 0.45 H new ATOM 0 HG SER A 11 -10.777 8.669 -6.472 1.00 1.22 H new ATOM 156 N GLY A 12 -12.811 11.472 -6.373 1.00 0.45 N ATOM 157 CA GLY A 12 -14.231 11.508 -6.677 1.00 0.54 C ATOM 158 C GLY A 12 -14.803 10.157 -7.080 1.00 0.49 C ATOM 159 O GLY A 12 -14.578 9.683 -8.195 1.00 0.61 O ATOM 0 H GLY A 12 -12.253 12.164 -6.872 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.771 11.876 -5.805 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.403 12.221 -7.483 1.00 0.54 H new ATOM 163 N GLY A 13 -15.516 9.525 -6.151 1.00 0.45 N ATOM 164 CA GLY A 13 -16.226 8.290 -6.448 1.00 0.48 C ATOM 165 C GLY A 13 -15.338 7.056 -6.460 1.00 0.41 C ATOM 166 O GLY A 13 -15.833 5.930 -6.473 1.00 0.45 O ATOM 0 H GLY A 13 -15.616 9.849 -5.189 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -17.016 8.150 -5.710 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.711 8.386 -7.419 1.00 0.48 H new ATOM 170 N HIS A 14 -14.026 7.246 -6.437 1.00 0.34 N ATOM 171 CA HIS A 14 -13.101 6.125 -6.551 1.00 0.31 C ATOM 172 C HIS A 14 -11.944 6.291 -5.583 1.00 0.30 C ATOM 173 O HIS A 14 -11.409 7.384 -5.421 1.00 0.43 O ATOM 174 CB HIS A 14 -12.568 5.990 -7.983 1.00 0.34 C ATOM 175 CG HIS A 14 -13.599 5.549 -8.979 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.794 4.229 -9.328 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.497 6.262 -9.701 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.766 4.152 -10.219 1.00 1.85 C ATOM 179 NE2 HIS A 14 -15.209 5.369 -10.461 1.00 1.82 N ATOM 0 H HIS A 14 -13.580 8.158 -6.341 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.648 5.216 -6.301 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -12.159 6.950 -8.299 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.745 5.276 -7.987 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.628 7.334 -9.682 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.135 3.244 -10.673 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.960 5.608 -11.109 1.00 1.82 H new ATOM 188 N VAL A 15 -11.566 5.204 -4.938 1.00 0.23 N ATOM 189 CA VAL A 15 -10.473 5.230 -3.989 1.00 0.20 C ATOM 190 C VAL A 15 -9.292 4.428 -4.532 1.00 0.18 C ATOM 191 O VAL A 15 -9.408 3.240 -4.809 1.00 0.17 O ATOM 192 CB VAL A 15 -10.917 4.709 -2.590 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.546 3.322 -2.665 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.749 4.710 -1.616 1.00 0.17 C ATOM 0 H VAL A 15 -12.002 4.290 -5.056 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.158 6.265 -3.856 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.681 5.394 -2.224 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.840 3.001 -1.666 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.425 3.356 -3.308 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.823 2.616 -3.075 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.084 4.342 -0.646 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.958 4.064 -1.996 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.367 5.725 -1.507 1.00 0.17 H new ATOM 204 N THR A 16 -8.170 5.099 -4.721 1.00 0.17 N ATOM 205 CA THR A 16 -6.968 4.455 -5.214 1.00 0.16 C ATOM 206 C THR A 16 -6.084 4.079 -4.040 1.00 0.14 C ATOM 207 O THR A 16 -5.607 4.938 -3.316 1.00 0.15 O ATOM 208 CB THR A 16 -6.189 5.389 -6.157 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.980 5.691 -7.310 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.865 4.766 -6.575 1.00 0.19 C ATOM 0 H THR A 16 -8.067 6.097 -4.539 1.00 0.17 H new ATOM 0 HA THR A 16 -7.257 3.563 -5.770 1.00 0.16 H new ATOM 0 HB THR A 16 -5.972 6.313 -5.620 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.478 6.287 -7.904 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.336 5.448 -7.241 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.256 4.577 -5.691 1.00 0.19 H new ATOM 0 HG23 THR A 16 -5.053 3.826 -7.093 1.00 0.19 H new ATOM 218 N LEU A 17 -5.858 2.803 -3.857 1.00 0.12 N ATOM 219 CA LEU A 17 -5.161 2.335 -2.688 1.00 0.10 C ATOM 220 C LEU A 17 -3.794 1.793 -3.060 1.00 0.13 C ATOM 221 O LEU A 17 -3.662 1.022 -4.009 1.00 0.17 O ATOM 222 CB LEU A 17 -5.995 1.281 -1.996 1.00 0.11 C ATOM 223 CG LEU A 17 -5.884 1.284 -0.482 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.246 1.041 0.127 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.874 0.253 -0.014 1.00 0.11 C ATOM 0 H LEU A 17 -6.147 2.069 -4.504 1.00 0.12 H new ATOM 0 HA LEU A 17 -5.007 3.168 -2.003 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -7.040 1.424 -2.271 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.699 0.300 -2.367 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.527 2.259 -0.151 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.164 1.043 1.214 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.931 1.829 -0.187 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.626 0.075 -0.206 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.811 0.273 1.074 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.188 -0.738 -0.341 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.897 0.483 -0.438 1.00 0.11 H new ATOM 237 N GLN A 18 -2.782 2.233 -2.324 1.00 0.15 N ATOM 238 CA GLN A 18 -1.401 1.856 -2.595 1.00 0.19 C ATOM 239 C GLN A 18 -0.560 1.981 -1.327 1.00 0.24 C ATOM 240 O GLN A 18 -0.763 2.894 -0.530 1.00 0.51 O ATOM 241 CB GLN A 18 -0.783 2.717 -3.703 1.00 0.32 C ATOM 242 CG GLN A 18 -1.694 3.766 -4.341 1.00 0.78 C ATOM 243 CD GLN A 18 -1.828 5.067 -3.553 1.00 1.03 C ATOM 244 OE1 GLN A 18 -1.701 5.007 -2.234 1.00 1.58 O flip ATOM 245 NE2 GLN A 18 -2.038 6.127 -4.142 1.00 1.77 N flip ATOM 0 H GLN A 18 -2.894 2.858 -1.526 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.408 0.820 -2.933 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.089 3.227 -3.293 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -0.423 2.054 -4.490 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.315 3.999 -5.336 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.686 3.333 -4.471 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.130 6.136 -5.158 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -2.120 6.996 -3.614 1.00 1.77 H new ATOM 254 N GLY A 19 0.390 1.074 -1.146 1.00 0.17 N ATOM 255 CA GLY A 19 1.207 1.088 0.055 1.00 0.18 C ATOM 256 C GLY A 19 2.489 1.879 -0.126 1.00 0.18 C ATOM 257 O GLY A 19 3.218 1.663 -1.087 1.00 0.19 O ATOM 0 H GLY A 19 0.611 0.329 -1.807 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.633 1.516 0.877 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.452 0.064 0.336 1.00 0.18 H new ATOM 261 N VAL A 20 2.775 2.792 0.795 1.00 0.17 N ATOM 262 CA VAL A 20 3.954 3.641 0.679 1.00 0.18 C ATOM 263 C VAL A 20 5.167 3.011 1.333 1.00 0.21 C ATOM 264 O VAL A 20 5.226 2.808 2.532 1.00 0.45 O ATOM 265 CB VAL A 20 3.714 5.053 1.254 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.000 5.683 1.779 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.094 5.948 0.195 1.00 0.20 C ATOM 0 H VAL A 20 2.209 2.963 1.627 1.00 0.17 H new ATOM 0 HA VAL A 20 4.152 3.742 -0.388 1.00 0.18 H new ATOM 0 HB VAL A 20 3.029 4.952 2.096 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.784 6.676 2.174 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.414 5.059 2.571 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.723 5.765 0.967 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.928 6.942 0.610 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.766 6.019 -0.660 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.142 5.526 -0.126 1.00 0.20 H new ATOM 277 N ILE A 21 6.125 2.712 0.510 1.00 0.13 N ATOM 278 CA ILE A 21 7.395 2.189 0.941 1.00 0.11 C ATOM 279 C ILE A 21 8.396 3.324 1.073 1.00 0.13 C ATOM 280 O ILE A 21 8.788 3.925 0.084 1.00 0.14 O ATOM 281 CB ILE A 21 7.905 1.176 -0.096 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.393 -0.200 0.241 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.422 1.156 -0.215 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.539 -1.133 -0.913 1.00 0.10 C ATOM 0 H ILE A 21 6.049 2.825 -0.501 1.00 0.13 H new ATOM 0 HA ILE A 21 7.277 1.698 1.907 1.00 0.11 H new ATOM 0 HB ILE A 21 7.521 1.492 -1.066 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.938 -0.593 1.099 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.344 -0.139 0.531 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.719 0.421 -0.963 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.776 2.142 -0.515 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.859 0.891 0.748 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.160 -2.117 -0.636 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.972 -0.752 -1.763 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.591 -1.213 -1.185 1.00 0.10 H new ATOM 296 N THR A 22 8.785 3.665 2.273 1.00 0.13 N ATOM 297 CA THR A 22 9.899 4.570 2.408 1.00 0.14 C ATOM 298 C THR A 22 11.157 3.761 2.284 1.00 0.14 C ATOM 299 O THR A 22 11.260 2.702 2.858 1.00 0.18 O ATOM 300 CB THR A 22 9.905 5.316 3.741 1.00 0.16 C ATOM 301 OG1 THR A 22 8.573 5.729 4.075 1.00 0.20 O ATOM 302 CG2 THR A 22 10.813 6.529 3.645 1.00 0.17 C ATOM 0 H THR A 22 8.365 3.344 3.145 1.00 0.13 H new ATOM 0 HA THR A 22 9.821 5.329 1.629 1.00 0.14 H new ATOM 0 HB THR A 22 10.277 4.652 4.521 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.583 6.205 4.931 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.815 7.059 4.598 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.827 6.207 3.407 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.450 7.194 2.861 1.00 0.17 H new ATOM 310 N ALA A 23 12.099 4.213 1.518 1.00 0.12 N ATOM 311 CA ALA A 23 13.300 3.446 1.359 1.00 0.12 C ATOM 312 C ALA A 23 14.478 4.279 1.761 1.00 0.14 C ATOM 313 O ALA A 23 14.697 5.325 1.199 1.00 0.16 O ATOM 314 CB ALA A 23 13.417 2.988 -0.072 1.00 0.11 C ATOM 0 H ALA A 23 12.066 5.091 1.001 1.00 0.12 H new ATOM 0 HA ALA A 23 13.270 2.564 1.998 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.330 2.405 -0.194 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.555 2.371 -0.328 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.451 3.856 -0.730 1.00 0.11 H new ATOM 320 N VAL A 24 15.231 3.826 2.737 1.00 0.16 N ATOM 321 CA VAL A 24 16.327 4.625 3.263 1.00 0.18 C ATOM 322 C VAL A 24 17.517 4.686 2.295 1.00 0.20 C ATOM 323 O VAL A 24 18.499 5.387 2.541 1.00 0.25 O ATOM 324 CB VAL A 24 16.789 4.105 4.637 1.00 0.22 C ATOM 325 CG1 VAL A 24 17.887 4.987 5.207 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.606 4.040 5.582 1.00 0.23 C ATOM 0 H VAL A 24 15.111 2.917 3.183 1.00 0.16 H new ATOM 0 HA VAL A 24 15.942 5.638 3.382 1.00 0.18 H new ATOM 0 HB VAL A 24 17.199 3.102 4.515 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.197 4.600 6.178 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.740 4.991 4.528 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.513 6.004 5.325 1.00 0.25 H new ATOM 0 HG21 VAL A 24 15.936 3.672 6.553 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.178 5.036 5.698 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.852 3.366 5.175 1.00 0.23 H new ATOM 336 N ARG A 25 17.437 3.983 1.176 1.00 0.21 N ATOM 337 CA ARG A 25 18.542 3.982 0.238 1.00 0.24 C ATOM 338 C ARG A 25 18.089 4.164 -1.206 1.00 0.23 C ATOM 339 O ARG A 25 17.114 3.555 -1.644 1.00 0.26 O ATOM 340 CB ARG A 25 19.346 2.707 0.390 1.00 0.33 C ATOM 341 CG ARG A 25 20.103 2.665 1.694 1.00 0.40 C ATOM 342 CD ARG A 25 21.270 3.620 1.658 1.00 0.73 C ATOM 343 NE ARG A 25 22.013 3.643 2.911 1.00 0.80 N ATOM 344 CZ ARG A 25 22.797 4.653 3.282 1.00 1.41 C ATOM 345 NH1 ARG A 25 22.938 5.712 2.493 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.437 4.608 4.442 1.00 1.42 N ATOM 0 H ARG A 25 16.634 3.417 0.901 1.00 0.21 H new ATOM 0 HA ARG A 25 19.171 4.840 0.476 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.677 1.848 0.332 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.048 2.621 -0.439 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.437 2.926 2.517 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.460 1.652 1.882 1.00 0.40 H new ATOM 0 HD2 ARG A 25 21.941 3.338 0.847 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.907 4.624 1.436 1.00 0.73 H new ATOM 0 HE ARG A 25 21.928 2.843 3.537 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.445 5.753 1.601 1.00 2.18 H new ATOM 0 HH12 ARG A 25 23.539 6.485 2.779 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.329 3.798 5.053 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.037 5.383 4.724 1.00 1.42 H new ATOM 360 N ASP A 26 18.805 5.031 -1.922 1.00 0.23 N ATOM 361 CA ASP A 26 18.536 5.303 -3.328 1.00 0.25 C ATOM 362 C ASP A 26 18.917 4.102 -4.179 1.00 0.24 C ATOM 363 O ASP A 26 20.004 3.545 -4.024 1.00 0.32 O ATOM 364 CB ASP A 26 19.330 6.516 -3.811 1.00 0.31 C ATOM 365 CG ASP A 26 19.271 7.703 -2.872 1.00 0.78 C ATOM 366 OD1 ASP A 26 18.262 8.435 -2.890 1.00 1.54 O ATOM 367 OD2 ASP A 26 20.245 7.918 -2.117 1.00 0.73 O ATOM 0 H ASP A 26 19.587 5.563 -1.541 1.00 0.23 H new ATOM 0 HA ASP A 26 17.470 5.507 -3.428 1.00 0.25 H new ATOM 0 HB2 ASP A 26 20.372 6.225 -3.948 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.953 6.819 -4.788 1.00 0.31 H new ATOM 372 N GLY A 27 18.025 3.702 -5.064 1.00 0.24 N ATOM 373 CA GLY A 27 18.298 2.591 -5.947 1.00 0.26 C ATOM 374 C GLY A 27 17.026 1.892 -6.360 1.00 0.21 C ATOM 375 O GLY A 27 16.038 2.541 -6.693 1.00 0.23 O ATOM 0 H GLY A 27 17.108 4.130 -5.189 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.823 2.949 -6.833 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.960 1.882 -5.449 1.00 0.26 H new ATOM 379 N ALA A 28 17.041 0.575 -6.327 1.00 0.19 N ATOM 380 CA ALA A 28 15.869 -0.209 -6.672 1.00 0.18 C ATOM 381 C ALA A 28 15.770 -1.433 -5.775 1.00 0.24 C ATOM 382 O ALA A 28 16.774 -2.091 -5.501 1.00 0.45 O ATOM 383 CB ALA A 28 15.914 -0.624 -8.134 1.00 0.21 C ATOM 0 H ALA A 28 17.856 0.021 -6.063 1.00 0.19 H new ATOM 0 HA ALA A 28 14.984 0.408 -6.518 1.00 0.18 H new ATOM 0 HB1 ALA A 28 15.027 -1.211 -8.373 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.942 0.265 -8.764 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.806 -1.224 -8.315 1.00 0.21 H new ATOM 389 N GLY A 29 14.566 -1.733 -5.323 1.00 0.15 N ATOM 390 CA GLY A 29 14.360 -2.859 -4.451 1.00 0.19 C ATOM 391 C GLY A 29 13.165 -3.662 -4.886 1.00 0.17 C ATOM 392 O GLY A 29 12.526 -3.338 -5.886 1.00 0.21 O ATOM 0 H GLY A 29 13.721 -1.209 -5.549 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.248 -3.491 -4.451 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.217 -2.511 -3.428 1.00 0.19 H new ATOM 396 N SER A 30 12.841 -4.690 -4.137 1.00 0.15 N ATOM 397 CA SER A 30 11.726 -5.545 -4.488 1.00 0.15 C ATOM 398 C SER A 30 10.776 -5.690 -3.307 1.00 0.13 C ATOM 399 O SER A 30 11.202 -5.827 -2.156 1.00 0.14 O ATOM 400 CB SER A 30 12.225 -6.906 -4.974 1.00 0.20 C ATOM 401 OG SER A 30 13.130 -7.492 -4.053 1.00 0.23 O ATOM 0 H SER A 30 13.331 -4.956 -3.283 1.00 0.15 H new ATOM 0 HA SER A 30 11.174 -5.083 -5.306 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.376 -7.573 -5.124 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.714 -6.790 -5.941 1.00 0.20 H new ATOM 0 HG SER A 30 13.900 -6.899 -3.928 1.00 0.23 H new ATOM 407 N TYR A 31 9.488 -5.634 -3.602 1.00 0.13 N ATOM 408 CA TYR A 31 8.455 -5.621 -2.580 1.00 0.11 C ATOM 409 C TYR A 31 7.126 -6.139 -3.135 1.00 0.13 C ATOM 410 O TYR A 31 6.929 -6.213 -4.348 1.00 0.18 O ATOM 411 CB TYR A 31 8.303 -4.211 -2.010 1.00 0.10 C ATOM 412 CG TYR A 31 8.972 -3.114 -2.819 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.412 -2.678 -4.009 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.144 -2.487 -2.374 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.987 -1.664 -4.737 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.721 -1.459 -3.104 1.00 0.09 C ATOM 417 CZ TYR A 31 10.139 -1.055 -4.281 1.00 0.11 C ATOM 418 OH TYR A 31 10.703 -0.030 -5.000 1.00 0.13 O ATOM 0 H TYR A 31 9.129 -5.596 -4.556 1.00 0.13 H new ATOM 0 HA TYR A 31 8.754 -6.290 -1.773 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.241 -3.982 -1.926 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.713 -4.198 -1.000 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.507 -3.143 -4.371 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.603 -2.809 -1.451 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.538 -1.344 -5.665 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.621 -0.979 -2.750 1.00 0.09 H new ATOM 0 HH TYR A 31 11.659 -0.206 -5.126 1.00 0.13 H new ATOM 428 N LYS A 32 6.225 -6.502 -2.232 1.00 0.13 N ATOM 429 CA LYS A 32 4.959 -7.140 -2.588 1.00 0.14 C ATOM 430 C LYS A 32 3.785 -6.489 -1.871 1.00 0.14 C ATOM 431 O LYS A 32 3.644 -6.616 -0.655 1.00 0.13 O ATOM 432 CB LYS A 32 5.004 -8.625 -2.221 1.00 0.16 C ATOM 433 CG LYS A 32 5.864 -8.923 -1.009 1.00 0.17 C ATOM 434 CD LYS A 32 7.275 -9.324 -1.410 1.00 0.25 C ATOM 435 CE LYS A 32 7.295 -10.695 -2.063 1.00 0.40 C ATOM 436 NZ LYS A 32 8.665 -11.107 -2.459 1.00 1.26 N ATOM 0 H LYS A 32 6.349 -6.363 -1.229 1.00 0.13 H new ATOM 0 HA LYS A 32 4.819 -7.021 -3.662 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.989 -8.975 -2.031 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.382 -9.190 -3.073 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.904 -8.044 -0.365 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.409 -9.724 -0.427 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.683 -8.585 -2.099 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.918 -9.329 -0.530 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.881 -11.430 -1.373 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.651 -10.686 -2.943 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.696 -12.140 -2.579 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 8.920 -10.647 -3.356 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.340 -10.824 -1.720 1.00 1.26 H new ATOM 450 N LEU A 33 2.930 -5.817 -2.619 1.00 0.17 N ATOM 451 CA LEU A 33 1.766 -5.167 -2.038 1.00 0.17 C ATOM 452 C LEU A 33 0.509 -5.974 -2.340 1.00 0.19 C ATOM 453 O LEU A 33 0.243 -6.338 -3.484 1.00 0.27 O ATOM 454 CB LEU A 33 1.640 -3.721 -2.559 1.00 0.22 C ATOM 455 CG LEU A 33 0.465 -2.882 -2.015 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.825 -3.220 -2.731 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.291 -3.073 -0.513 1.00 0.49 C ATOM 0 H LEU A 33 3.018 -5.706 -3.629 1.00 0.17 H new ATOM 0 HA LEU A 33 1.889 -5.122 -0.956 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.567 -3.196 -2.329 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.556 -3.758 -3.645 1.00 0.22 H new ATOM 0 HG LEU A 33 0.705 -1.835 -2.203 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.635 -2.613 -2.327 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.715 -3.015 -3.796 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.055 -4.276 -2.587 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.545 -2.467 -0.164 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.092 -4.123 -0.300 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.202 -2.765 0.001 1.00 0.49 H new ATOM 469 N ALA A 34 -0.248 -6.262 -1.301 1.00 0.16 N ATOM 470 CA ALA A 34 -1.537 -6.916 -1.450 1.00 0.19 C ATOM 471 C ALA A 34 -2.634 -6.049 -0.848 1.00 0.18 C ATOM 472 O ALA A 34 -2.466 -5.498 0.236 1.00 0.25 O ATOM 473 CB ALA A 34 -1.526 -8.297 -0.803 1.00 0.25 C ATOM 0 H ALA A 34 0.008 -6.052 -0.336 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.737 -7.048 -2.513 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.502 -8.765 -0.928 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.764 -8.915 -1.277 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.304 -8.199 0.260 1.00 0.25 H new ATOM 479 N VAL A 35 -3.738 -5.904 -1.556 1.00 0.16 N ATOM 480 CA VAL A 35 -4.863 -5.130 -1.056 1.00 0.14 C ATOM 481 C VAL A 35 -6.032 -6.060 -0.761 1.00 0.16 C ATOM 482 O VAL A 35 -6.276 -7.023 -1.491 1.00 0.23 O ATOM 483 CB VAL A 35 -5.313 -4.030 -2.048 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.328 -3.101 -1.396 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.120 -3.237 -2.546 1.00 0.21 C ATOM 0 H VAL A 35 -3.882 -6.311 -2.480 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.535 -4.631 -0.144 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.786 -4.517 -2.901 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.631 -2.335 -2.110 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.201 -3.676 -1.087 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.879 -2.626 -0.524 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.458 -2.469 -3.242 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.618 -2.765 -1.701 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.425 -3.906 -3.054 1.00 0.21 H new ATOM 495 N ASP A 36 -6.734 -5.778 0.314 1.00 0.19 N ATOM 496 CA ASP A 36 -7.853 -6.593 0.742 1.00 0.24 C ATOM 497 C ASP A 36 -9.122 -5.756 0.719 1.00 0.25 C ATOM 498 O ASP A 36 -9.254 -4.797 1.476 1.00 0.31 O ATOM 499 CB ASP A 36 -7.591 -7.115 2.154 1.00 0.33 C ATOM 500 CG ASP A 36 -8.552 -8.205 2.572 1.00 1.05 C ATOM 501 OD1 ASP A 36 -8.305 -9.384 2.245 1.00 1.52 O ATOM 502 OD2 ASP A 36 -9.583 -7.877 3.201 1.00 1.67 O ATOM 0 H ASP A 36 -6.546 -4.977 0.917 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.973 -7.441 0.068 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.572 -7.497 2.210 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.661 -6.287 2.860 1.00 0.33 H new ATOM 507 N LYS A 37 -10.049 -6.105 -0.155 1.00 0.28 N ATOM 508 CA LYS A 37 -11.268 -5.342 -0.300 1.00 0.33 C ATOM 509 C LYS A 37 -12.483 -6.191 0.040 1.00 0.46 C ATOM 510 O LYS A 37 -12.596 -7.339 -0.395 1.00 0.63 O ATOM 511 CB LYS A 37 -11.363 -4.774 -1.715 1.00 0.42 C ATOM 512 CG LYS A 37 -12.779 -4.714 -2.247 1.00 0.95 C ATOM 513 CD LYS A 37 -12.854 -4.058 -3.620 1.00 0.77 C ATOM 514 CE LYS A 37 -12.287 -4.947 -4.716 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.454 -4.343 -6.066 1.00 1.34 N ATOM 0 H LYS A 37 -9.978 -6.913 -0.774 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.247 -4.509 0.402 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.937 -3.771 -1.725 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.757 -5.384 -2.385 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.185 -5.724 -2.307 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.404 -4.160 -1.547 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -13.892 -3.819 -3.850 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.307 -3.115 -3.600 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.228 -5.125 -4.527 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -12.783 -5.917 -4.689 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -11.707 -4.695 -6.699 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.385 -4.604 -6.450 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.387 -3.308 -5.994 1.00 1.34 H new ATOM 529 N ALA A 38 -13.376 -5.621 0.832 1.00 0.41 N ATOM 530 CA ALA A 38 -14.606 -6.286 1.214 1.00 0.52 C ATOM 531 C ALA A 38 -15.737 -5.270 1.319 1.00 0.47 C ATOM 532 O ALA A 38 -15.669 -4.325 2.104 1.00 0.43 O ATOM 533 CB ALA A 38 -14.414 -7.027 2.529 1.00 0.60 C ATOM 0 H ALA A 38 -13.267 -4.687 1.226 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.872 -7.015 0.449 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -15.344 -7.523 2.806 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.626 -7.771 2.415 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -14.134 -6.318 3.308 1.00 0.60 H new ATOM 539 N GLY A 39 -16.758 -5.453 0.505 1.00 0.57 N ATOM 540 CA GLY A 39 -17.885 -4.546 0.508 1.00 0.60 C ATOM 541 C GLY A 39 -19.181 -5.276 0.245 1.00 0.81 C ATOM 542 O GLY A 39 -19.231 -6.502 0.350 1.00 0.96 O ATOM 0 H GLY A 39 -16.829 -6.219 -0.164 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.941 -4.037 1.470 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.738 -3.778 -0.251 1.00 0.60 H new ATOM 546 N ALA A 40 -20.222 -4.539 -0.116 1.00 0.90 N ATOM 547 CA ALA A 40 -21.520 -5.136 -0.416 1.00 1.14 C ATOM 548 C ALA A 40 -21.433 -6.061 -1.626 1.00 1.33 C ATOM 549 O ALA A 40 -22.220 -6.995 -1.764 1.00 1.57 O ATOM 550 CB ALA A 40 -22.560 -4.056 -0.645 1.00 1.24 C ATOM 0 H ALA A 40 -20.195 -3.524 -0.209 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.823 -5.735 0.443 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.522 -4.518 -0.867 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.651 -3.443 0.251 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.256 -3.430 -1.484 1.00 1.24 H new ATOM 556 N ALA A 41 -20.460 -5.806 -2.493 1.00 1.28 N ATOM 557 CA ALA A 41 -20.248 -6.628 -3.677 1.00 1.49 C ATOM 558 C ALA A 41 -19.464 -7.892 -3.337 1.00 1.45 C ATOM 559 O ALA A 41 -19.242 -8.745 -4.197 1.00 1.72 O ATOM 560 CB ALA A 41 -19.523 -5.834 -4.750 1.00 1.58 C ATOM 0 H ALA A 41 -19.803 -5.032 -2.397 1.00 1.28 H new ATOM 0 HA ALA A 41 -21.225 -6.927 -4.057 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -19.372 -6.462 -5.628 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -20.120 -4.964 -5.024 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -18.556 -5.505 -4.369 1.00 1.58 H new ATOM 566 N GLY A 42 -19.036 -8.004 -2.088 1.00 1.19 N ATOM 567 CA GLY A 42 -18.303 -9.176 -1.662 1.00 1.21 C ATOM 568 C GLY A 42 -16.857 -8.874 -1.346 1.00 1.01 C ATOM 569 O GLY A 42 -16.477 -7.713 -1.172 1.00 0.86 O ATOM 0 H GLY A 42 -19.184 -7.303 -1.362 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.783 -9.599 -0.780 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -18.350 -9.933 -2.445 1.00 1.21 H new ATOM 573 N THR A 43 -16.052 -9.920 -1.275 1.00 1.03 N ATOM 574 CA THR A 43 -14.646 -9.795 -0.944 1.00 0.88 C ATOM 575 C THR A 43 -13.768 -10.017 -2.175 1.00 0.82 C ATOM 576 O THR A 43 -14.134 -10.765 -3.081 1.00 0.92 O ATOM 577 CB THR A 43 -14.265 -10.812 0.145 1.00 0.97 C ATOM 578 OG1 THR A 43 -14.737 -12.121 -0.219 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.852 -10.419 1.490 1.00 1.00 C ATOM 0 H THR A 43 -16.356 -10.879 -1.445 1.00 1.03 H new ATOM 0 HA THR A 43 -14.479 -8.783 -0.575 1.00 0.88 H new ATOM 0 HB THR A 43 -13.178 -10.823 0.231 1.00 0.97 H new ATOM 0 HG1 THR A 43 -14.489 -12.764 0.478 1.00 1.14 H new ATOM 0 HG21 THR A 43 -14.567 -11.156 2.241 1.00 1.00 H new ATOM 0 HG22 THR A 43 -14.473 -9.439 1.780 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.939 -10.380 1.415 1.00 1.00 H new ATOM 587 N SER A 44 -12.620 -9.356 -2.206 1.00 0.73 N ATOM 588 CA SER A 44 -11.671 -9.506 -3.300 1.00 0.69 C ATOM 589 C SER A 44 -10.242 -9.395 -2.780 1.00 0.59 C ATOM 590 O SER A 44 -9.949 -8.558 -1.924 1.00 0.60 O ATOM 591 CB SER A 44 -11.926 -8.441 -4.362 1.00 0.72 C ATOM 592 OG SER A 44 -13.261 -8.502 -4.834 1.00 1.15 O ATOM 0 H SER A 44 -12.321 -8.705 -1.480 1.00 0.73 H new ATOM 0 HA SER A 44 -11.804 -10.491 -3.747 1.00 0.69 H new ATOM 0 HB2 SER A 44 -11.729 -7.453 -3.946 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.236 -8.580 -5.194 1.00 0.72 H new ATOM 0 HG SER A 44 -13.357 -7.922 -5.618 1.00 1.15 H new ATOM 598 N ARG A 45 -9.358 -10.242 -3.293 1.00 0.63 N ATOM 599 CA ARG A 45 -7.971 -10.249 -2.853 1.00 0.60 C ATOM 600 C ARG A 45 -7.068 -9.750 -3.978 1.00 0.51 C ATOM 601 O ARG A 45 -6.938 -10.404 -5.014 1.00 0.65 O ATOM 602 CB ARG A 45 -7.550 -11.658 -2.438 1.00 0.78 C ATOM 603 CG ARG A 45 -8.652 -12.437 -1.752 1.00 1.48 C ATOM 604 CD ARG A 45 -8.901 -11.950 -0.337 1.00 1.56 C ATOM 605 NE ARG A 45 -10.055 -12.624 0.256 1.00 1.96 N ATOM 606 CZ ARG A 45 -10.517 -12.400 1.484 1.00 2.32 C ATOM 607 NH1 ARG A 45 -9.961 -11.478 2.261 1.00 2.28 N ATOM 608 NH2 ARG A 45 -11.555 -13.092 1.931 1.00 3.08 N ATOM 0 H ARG A 45 -9.577 -10.931 -4.012 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.875 -9.587 -1.992 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.223 -12.207 -3.321 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.692 -11.591 -1.769 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.571 -12.350 -2.332 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -8.388 -13.494 -1.730 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -8.017 -12.131 0.274 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -9.069 -10.873 -0.344 1.00 1.56 H new ATOM 0 HE ARG A 45 -10.542 -13.317 -0.313 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -9.171 -10.932 1.919 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -10.324 -11.316 3.200 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -11.996 -13.792 1.335 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -11.913 -12.924 2.871 1.00 3.08 H new ATOM 622 N ILE A 46 -6.456 -8.596 -3.783 1.00 0.38 N ATOM 623 CA ILE A 46 -5.612 -7.994 -4.808 1.00 0.33 C ATOM 624 C ILE A 46 -4.137 -8.168 -4.463 1.00 0.30 C ATOM 625 O ILE A 46 -3.735 -7.921 -3.330 1.00 0.34 O ATOM 626 CB ILE A 46 -5.912 -6.498 -4.982 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.377 -6.280 -5.356 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.006 -5.902 -6.043 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.301 -6.113 -4.166 1.00 0.40 C ATOM 0 H ILE A 46 -6.526 -8.053 -2.923 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.833 -8.507 -5.744 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.722 -5.997 -4.033 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.452 -5.395 -5.988 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.719 -7.126 -5.952 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.228 -4.841 -6.157 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.965 -6.024 -5.743 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.173 -6.412 -6.992 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.322 -5.963 -4.516 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.259 -7.007 -3.544 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.988 -5.249 -3.581 1.00 0.40 H new ATOM 641 N LYS A 47 -3.336 -8.609 -5.425 1.00 0.31 N ATOM 642 CA LYS A 47 -1.904 -8.786 -5.202 1.00 0.38 C ATOM 643 C LYS A 47 -1.084 -8.168 -6.329 1.00 0.41 C ATOM 644 O LYS A 47 -1.362 -8.395 -7.509 1.00 0.51 O ATOM 645 CB LYS A 47 -1.535 -10.265 -5.069 1.00 0.51 C ATOM 646 CG LYS A 47 -1.876 -10.901 -3.726 1.00 0.91 C ATOM 647 CD LYS A 47 -3.361 -11.191 -3.591 1.00 1.56 C ATOM 648 CE LYS A 47 -3.694 -11.778 -2.231 1.00 2.17 C ATOM 649 NZ LYS A 47 -3.094 -13.122 -2.034 1.00 2.74 N ATOM 0 H LYS A 47 -3.651 -8.850 -6.365 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.670 -8.275 -4.268 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.043 -10.822 -5.856 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.464 -10.373 -5.243 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -1.314 -11.828 -3.612 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -1.562 -10.237 -2.921 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -3.927 -10.271 -3.740 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -3.669 -11.885 -4.373 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -3.337 -11.106 -1.451 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -4.776 -11.847 -2.123 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 -3.457 -13.539 -1.153 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 -3.345 -13.735 -2.836 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -2.059 -13.035 -1.975 1.00 2.74 H new ATOM 663 N GLN A 48 -0.087 -7.376 -5.958 1.00 0.40 N ATOM 664 CA GLN A 48 0.887 -6.849 -6.906 1.00 0.47 C ATOM 665 C GLN A 48 2.291 -6.957 -6.317 1.00 0.50 C ATOM 666 O GLN A 48 2.601 -6.318 -5.310 1.00 0.78 O ATOM 667 CB GLN A 48 0.584 -5.385 -7.251 1.00 0.52 C ATOM 668 CG GLN A 48 -0.633 -5.192 -8.143 1.00 0.55 C ATOM 669 CD GLN A 48 -0.877 -3.732 -8.478 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.052 -2.927 -8.516 1.00 1.63 O ATOM 671 NE2 GLN A 48 -2.125 -3.381 -8.739 1.00 1.37 N ATOM 0 H GLN A 48 0.070 -7.081 -4.994 1.00 0.40 H new ATOM 0 HA GLN A 48 0.826 -7.438 -7.821 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.434 -4.829 -6.325 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.454 -4.952 -7.745 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.497 -5.756 -9.066 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.513 -5.600 -7.646 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.870 -4.077 -8.698 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.343 -2.415 -8.982 1.00 1.37 H new ATOM 680 N ALA A 49 3.137 -7.756 -6.943 1.00 0.32 N ATOM 681 CA ALA A 49 4.491 -7.965 -6.455 1.00 0.31 C ATOM 682 C ALA A 49 5.509 -7.740 -7.563 1.00 0.31 C ATOM 683 O ALA A 49 5.207 -7.933 -8.745 1.00 0.39 O ATOM 684 CB ALA A 49 4.635 -9.368 -5.882 1.00 0.33 C ATOM 0 H ALA A 49 2.910 -8.273 -7.793 1.00 0.32 H new ATOM 0 HA ALA A 49 4.683 -7.240 -5.664 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.653 -9.511 -5.520 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.935 -9.497 -5.056 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.420 -10.102 -6.658 1.00 0.33 H new ATOM 690 N GLY A 50 6.707 -7.323 -7.182 1.00 0.25 N ATOM 691 CA GLY A 50 7.759 -7.097 -8.149 1.00 0.26 C ATOM 692 C GLY A 50 8.857 -6.227 -7.591 1.00 0.23 C ATOM 693 O GLY A 50 9.078 -6.194 -6.379 1.00 0.25 O ATOM 0 H GLY A 50 6.970 -7.136 -6.214 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.177 -8.054 -8.461 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.340 -6.627 -9.039 1.00 0.26 H new ATOM 697 N ALA A 51 9.540 -5.515 -8.466 1.00 0.23 N ATOM 698 CA ALA A 51 10.626 -4.652 -8.055 1.00 0.21 C ATOM 699 C ALA A 51 10.511 -3.301 -8.737 1.00 0.23 C ATOM 700 O ALA A 51 10.196 -3.219 -9.924 1.00 0.38 O ATOM 701 CB ALA A 51 11.961 -5.298 -8.366 1.00 0.23 C ATOM 0 H ALA A 51 9.360 -5.519 -9.470 1.00 0.23 H new ATOM 0 HA ALA A 51 10.563 -4.500 -6.978 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.768 -4.636 -8.051 1.00 0.23 H new ATOM 0 HB2 ALA A 51 12.040 -6.245 -7.833 1.00 0.23 H new ATOM 0 HB3 ALA A 51 12.037 -5.478 -9.438 1.00 0.23 H new ATOM 707 N PHE A 52 10.762 -2.250 -7.983 1.00 0.15 N ATOM 708 CA PHE A 52 10.623 -0.894 -8.478 1.00 0.16 C ATOM 709 C PHE A 52 11.768 -0.043 -7.928 1.00 0.14 C ATOM 710 O PHE A 52 12.573 -0.526 -7.130 1.00 0.16 O ATOM 711 CB PHE A 52 9.241 -0.348 -8.076 1.00 0.17 C ATOM 712 CG PHE A 52 8.945 1.055 -8.531 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.941 1.384 -9.876 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.676 2.045 -7.602 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.671 2.677 -10.286 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.406 3.339 -8.003 1.00 0.18 C ATOM 717 CZ PHE A 52 8.403 3.655 -9.347 1.00 0.23 C ATOM 0 H PHE A 52 11.068 -2.311 -7.012 1.00 0.15 H new ATOM 0 HA PHE A 52 10.683 -0.867 -9.566 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.476 -1.012 -8.479 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.156 -0.385 -6.990 1.00 0.17 H new ATOM 0 HD1 PHE A 52 9.151 0.623 -10.613 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.677 1.803 -6.550 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.670 2.922 -11.338 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.198 4.102 -7.267 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.191 4.665 -9.664 1.00 0.23 H new ATOM 727 N THR A 53 11.855 1.202 -8.356 1.00 0.15 N ATOM 728 CA THR A 53 12.927 2.078 -7.928 1.00 0.16 C ATOM 729 C THR A 53 12.546 2.823 -6.664 1.00 0.16 C ATOM 730 O THR A 53 11.411 3.282 -6.517 1.00 0.27 O ATOM 731 CB THR A 53 13.301 3.085 -9.019 1.00 0.21 C ATOM 732 OG1 THR A 53 12.356 3.014 -10.098 1.00 0.43 O ATOM 733 CG2 THR A 53 14.707 2.818 -9.532 1.00 0.40 C ATOM 0 H THR A 53 11.193 1.630 -9.003 1.00 0.15 H new ATOM 0 HA THR A 53 13.792 1.447 -7.726 1.00 0.16 H new ATOM 0 HB THR A 53 13.275 4.087 -8.592 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.601 3.662 -10.791 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.955 3.543 -10.307 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.417 2.907 -8.710 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.758 1.812 -9.948 1.00 0.40 H new ATOM 741 N ALA A 54 13.500 2.951 -5.762 1.00 0.13 N ATOM 742 CA ALA A 54 13.258 3.595 -4.492 1.00 0.13 C ATOM 743 C ALA A 54 14.347 4.621 -4.197 1.00 0.14 C ATOM 744 O ALA A 54 15.503 4.437 -4.564 1.00 0.23 O ATOM 745 CB ALA A 54 13.163 2.552 -3.382 1.00 0.15 C ATOM 0 H ALA A 54 14.454 2.614 -5.890 1.00 0.13 H new ATOM 0 HA ALA A 54 12.307 4.125 -4.540 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.980 3.050 -2.430 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.343 1.866 -3.596 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.098 1.994 -3.326 1.00 0.15 H new ATOM 751 N ILE A 55 13.963 5.713 -3.562 1.00 0.17 N ATOM 752 CA ILE A 55 14.897 6.775 -3.214 1.00 0.18 C ATOM 753 C ILE A 55 15.064 6.850 -1.717 1.00 0.16 C ATOM 754 O ILE A 55 14.098 6.693 -0.972 1.00 0.14 O ATOM 755 CB ILE A 55 14.418 8.124 -3.757 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.530 8.117 -5.274 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.205 9.276 -3.158 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.556 9.079 -5.821 1.00 0.33 C ATOM 0 H ILE A 55 13.001 5.891 -3.273 1.00 0.17 H new ATOM 0 HA ILE A 55 15.860 6.545 -3.670 1.00 0.18 H new ATOM 0 HB ILE A 55 13.376 8.270 -3.471 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.781 7.109 -5.604 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.557 8.360 -5.701 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.838 10.218 -3.566 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.081 9.277 -2.075 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.261 9.161 -3.403 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.574 9.013 -6.909 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.297 10.095 -5.524 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.540 8.825 -5.426 1.00 0.33 H new ATOM 770 N ALA A 56 16.293 7.087 -1.290 1.00 0.17 N ATOM 771 CA ALA A 56 16.626 7.110 0.128 1.00 0.18 C ATOM 772 C ALA A 56 15.845 8.176 0.876 1.00 0.17 C ATOM 773 O ALA A 56 15.853 9.350 0.501 1.00 0.20 O ATOM 774 CB ALA A 56 18.111 7.301 0.346 1.00 0.22 C ATOM 0 H ALA A 56 17.083 7.268 -1.909 1.00 0.17 H new ATOM 0 HA ALA A 56 16.341 6.138 0.531 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.323 7.313 1.415 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.656 6.482 -0.123 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.425 8.246 -0.097 1.00 0.22 H new ATOM 780 N GLU A 57 15.152 7.728 1.920 1.00 0.16 N ATOM 781 CA GLU A 57 14.342 8.579 2.779 1.00 0.18 C ATOM 782 C GLU A 57 13.142 9.122 2.013 1.00 0.19 C ATOM 783 O GLU A 57 12.437 10.015 2.480 1.00 0.28 O ATOM 784 CB GLU A 57 15.187 9.705 3.356 1.00 0.23 C ATOM 785 CG GLU A 57 16.377 9.208 4.162 1.00 0.27 C ATOM 786 CD GLU A 57 17.348 10.322 4.482 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.183 10.655 3.615 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.271 10.883 5.595 1.00 0.75 O ATOM 0 H GLU A 57 15.139 6.746 2.195 1.00 0.16 H new ATOM 0 HA GLU A 57 13.964 7.983 3.610 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.545 10.335 2.542 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.561 10.331 3.992 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.024 8.757 5.089 1.00 0.27 H new ATOM 0 HG3 GLU A 57 16.893 8.427 3.604 1.00 0.27 H new ATOM 795 N GLN A 58 12.907 8.555 0.841 1.00 0.16 N ATOM 796 CA GLN A 58 11.794 8.923 0.021 1.00 0.18 C ATOM 797 C GLN A 58 10.738 7.862 0.072 1.00 0.17 C ATOM 798 O GLN A 58 11.019 6.671 0.213 1.00 0.19 O ATOM 799 CB GLN A 58 12.206 9.151 -1.410 1.00 0.20 C ATOM 800 CG GLN A 58 12.180 10.612 -1.794 1.00 0.28 C ATOM 801 CD GLN A 58 11.126 11.406 -1.041 1.00 0.70 C ATOM 802 OE1 GLN A 58 11.380 11.946 0.035 1.00 1.38 O ATOM 803 NE2 GLN A 58 9.933 11.483 -1.607 1.00 1.48 N ATOM 0 H GLN A 58 13.494 7.823 0.441 1.00 0.16 H new ATOM 0 HA GLN A 58 11.396 9.858 0.415 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.211 8.756 -1.563 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.541 8.593 -2.069 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.160 11.049 -1.604 1.00 0.28 H new ATOM 0 HG3 GLN A 58 11.995 10.697 -2.865 1.00 0.28 H new ATOM 0 HE21 GLN A 58 9.762 11.021 -2.500 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.185 12.004 -1.150 1.00 1.48 H new ATOM 812 N ARG A 59 9.530 8.319 -0.027 1.00 0.16 N ATOM 813 CA ARG A 59 8.384 7.448 -0.042 1.00 0.17 C ATOM 814 C ARG A 59 8.099 6.960 -1.450 1.00 0.17 C ATOM 815 O ARG A 59 7.989 7.747 -2.389 1.00 0.22 O ATOM 816 CB ARG A 59 7.168 8.159 0.523 1.00 0.24 C ATOM 817 CG ARG A 59 7.071 8.085 2.035 1.00 0.30 C ATOM 818 CD ARG A 59 8.164 8.868 2.722 1.00 0.44 C ATOM 819 NE ARG A 59 7.988 10.312 2.576 1.00 1.37 N ATOM 820 CZ ARG A 59 8.793 11.224 3.120 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.844 10.851 3.845 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.543 12.513 2.942 1.00 2.72 N ATOM 0 H ARG A 59 9.303 9.311 -0.100 1.00 0.16 H new ATOM 0 HA ARG A 59 8.606 6.584 0.585 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.196 9.206 0.220 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.268 7.724 0.088 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.100 8.466 2.353 1.00 0.30 H new ATOM 0 HG3 ARG A 59 7.123 7.042 2.349 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.181 8.612 3.781 1.00 0.44 H new ATOM 0 HD3 ARG A 59 9.130 8.578 2.309 1.00 0.44 H new ATOM 0 HE ARG A 59 7.198 10.643 2.022 1.00 1.37 H new ATOM 0 HH11 ARG A 59 10.039 9.860 3.988 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.455 11.556 4.258 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.736 12.805 2.390 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.157 13.214 3.357 1.00 2.72 H new ATOM 836 N VAL A 60 7.997 5.657 -1.578 1.00 0.13 N ATOM 837 CA VAL A 60 7.722 5.013 -2.837 1.00 0.14 C ATOM 838 C VAL A 60 6.433 4.236 -2.720 1.00 0.13 C ATOM 839 O VAL A 60 6.374 3.231 -2.022 1.00 0.12 O ATOM 840 CB VAL A 60 8.883 4.064 -3.212 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.516 3.166 -4.384 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.118 4.880 -3.535 1.00 0.15 C ATOM 0 H VAL A 60 8.105 5.008 -0.799 1.00 0.13 H new ATOM 0 HA VAL A 60 7.625 5.766 -3.620 1.00 0.14 H new ATOM 0 HB VAL A 60 9.087 3.417 -2.359 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.356 2.513 -4.619 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.649 2.561 -4.121 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.280 3.780 -5.253 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.937 4.211 -3.799 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.906 5.544 -4.373 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.400 5.473 -2.665 1.00 0.15 H new ATOM 852 N THR A 61 5.395 4.684 -3.392 1.00 0.15 N ATOM 853 CA THR A 61 4.126 4.022 -3.242 1.00 0.15 C ATOM 854 C THR A 61 4.014 2.874 -4.214 1.00 0.16 C ATOM 855 O THR A 61 4.322 3.005 -5.401 1.00 0.19 O ATOM 856 CB THR A 61 2.928 4.970 -3.387 1.00 0.17 C ATOM 857 OG1 THR A 61 3.268 6.282 -2.914 1.00 0.19 O ATOM 858 CG2 THR A 61 1.772 4.425 -2.577 1.00 0.19 C ATOM 0 H THR A 61 5.405 5.481 -4.029 1.00 0.15 H new ATOM 0 HA THR A 61 4.094 3.639 -2.222 1.00 0.15 H new ATOM 0 HB THR A 61 2.650 5.040 -4.439 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.495 6.876 -3.014 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.915 5.091 -2.673 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.505 3.434 -2.945 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.063 4.356 -1.529 1.00 0.19 H new ATOM 866 N VAL A 62 3.594 1.742 -3.687 1.00 0.15 N ATOM 867 CA VAL A 62 3.625 0.503 -4.412 1.00 0.15 C ATOM 868 C VAL A 62 2.269 -0.196 -4.395 1.00 0.15 C ATOM 869 O VAL A 62 1.594 -0.235 -3.365 1.00 0.16 O ATOM 870 CB VAL A 62 4.733 -0.404 -3.823 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.482 -1.885 -4.081 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.090 0.025 -4.367 1.00 0.16 C ATOM 0 H VAL A 62 3.222 1.663 -2.741 1.00 0.15 H new ATOM 0 HA VAL A 62 3.852 0.714 -5.457 1.00 0.15 H new ATOM 0 HB VAL A 62 4.721 -0.279 -2.740 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.291 -2.472 -3.646 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.535 -2.178 -3.627 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.440 -2.065 -5.155 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.868 -0.615 -3.951 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.091 -0.063 -5.453 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.284 1.060 -4.087 1.00 0.16 H new ATOM 882 N GLY A 63 1.876 -0.722 -5.551 1.00 0.18 N ATOM 883 CA GLY A 63 0.621 -1.435 -5.662 1.00 0.21 C ATOM 884 C GLY A 63 -0.562 -0.503 -5.767 1.00 0.20 C ATOM 885 O GLY A 63 -1.394 -0.449 -4.866 1.00 0.28 O ATOM 0 H GLY A 63 2.411 -0.665 -6.418 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.650 -2.082 -6.539 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.495 -2.081 -4.793 1.00 0.21 H new ATOM 889 N ASN A 64 -0.637 0.231 -6.867 1.00 0.33 N ATOM 890 CA ASN A 64 -1.724 1.173 -7.076 1.00 0.40 C ATOM 891 C ASN A 64 -2.932 0.444 -7.625 1.00 0.37 C ATOM 892 O ASN A 64 -2.938 0.005 -8.776 1.00 0.52 O ATOM 893 CB ASN A 64 -1.318 2.293 -8.044 1.00 0.67 C ATOM 894 CG ASN A 64 -0.235 3.205 -7.490 1.00 1.31 C ATOM 895 OD1 ASN A 64 0.654 2.769 -6.759 1.00 2.17 O ATOM 896 ND2 ASN A 64 -0.307 4.481 -7.833 1.00 1.98 N ATOM 0 H ASN A 64 0.042 0.192 -7.627 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.967 1.626 -6.115 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -0.967 1.849 -8.976 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -2.197 2.890 -8.286 1.00 0.67 H new ATOM 0 HD21 ASN A 64 0.390 5.142 -7.489 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -1.059 4.804 -8.441 1.00 1.98 H new ATOM 903 N VAL A 65 -3.943 0.305 -6.795 1.00 0.25 N ATOM 904 CA VAL A 65 -5.190 -0.319 -7.204 1.00 0.33 C ATOM 905 C VAL A 65 -6.341 0.653 -6.975 1.00 0.27 C ATOM 906 O VAL A 65 -6.347 1.385 -5.991 1.00 0.35 O ATOM 907 CB VAL A 65 -5.441 -1.643 -6.442 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.185 -2.499 -6.448 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.910 -1.396 -5.016 1.00 1.10 C ATOM 0 H VAL A 65 -3.928 0.618 -5.824 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.122 -0.562 -8.264 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.239 -2.176 -6.959 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.375 -3.427 -5.909 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -3.905 -2.727 -7.476 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.373 -1.957 -5.963 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -6.075 -2.351 -4.517 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -5.151 -0.830 -4.476 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.841 -0.830 -5.032 1.00 1.10 H new ATOM 919 N VAL A 66 -7.293 0.700 -7.886 1.00 0.25 N ATOM 920 CA VAL A 66 -8.398 1.630 -7.743 1.00 0.23 C ATOM 921 C VAL A 66 -9.700 0.900 -7.452 1.00 0.24 C ATOM 922 O VAL A 66 -10.160 0.070 -8.238 1.00 0.27 O ATOM 923 CB VAL A 66 -8.559 2.531 -8.981 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.681 3.537 -8.764 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.252 3.248 -9.285 1.00 0.29 C ATOM 0 H VAL A 66 -7.326 0.115 -8.721 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.160 2.270 -6.893 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.818 1.906 -9.835 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.782 4.166 -9.648 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.617 3.006 -8.588 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.449 4.160 -7.900 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.380 3.882 -10.163 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.968 3.863 -8.432 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.471 2.513 -9.479 1.00 0.29 H new ATOM 935 N LEU A 67 -10.270 1.213 -6.302 1.00 0.22 N ATOM 936 CA LEU A 67 -11.527 0.635 -5.860 1.00 0.23 C ATOM 937 C LEU A 67 -12.628 1.675 -6.012 1.00 0.24 C ATOM 938 O LEU A 67 -12.343 2.866 -6.162 1.00 0.26 O ATOM 939 CB LEU A 67 -11.465 0.225 -4.383 1.00 0.21 C ATOM 940 CG LEU A 67 -10.236 -0.563 -3.897 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.933 -1.742 -4.808 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.013 0.334 -3.741 1.00 0.18 C ATOM 0 H LEU A 67 -9.870 1.881 -5.643 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.725 -0.249 -6.466 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.537 1.132 -3.783 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.350 -0.373 -4.166 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.482 -0.957 -2.911 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.059 -2.275 -4.434 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.789 -2.416 -4.827 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.733 -1.380 -5.817 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.167 -0.261 -3.396 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.770 0.788 -4.702 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.226 1.117 -3.013 1.00 0.18 H new ATOM 954 N ASP A 68 -13.879 1.245 -5.981 1.00 0.26 N ATOM 955 CA ASP A 68 -14.981 2.189 -5.885 1.00 0.28 C ATOM 956 C ASP A 68 -15.035 2.723 -4.459 1.00 0.28 C ATOM 957 O ASP A 68 -15.023 1.956 -3.496 1.00 0.30 O ATOM 958 CB ASP A 68 -16.320 1.557 -6.305 1.00 0.32 C ATOM 959 CG ASP A 68 -16.755 0.394 -5.433 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.295 -0.743 -5.676 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.584 0.603 -4.524 1.00 1.25 O ATOM 0 H ASP A 68 -14.155 0.264 -6.020 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.810 3.013 -6.578 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -17.094 2.324 -6.283 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.240 1.214 -7.337 1.00 0.32 H new ATOM 966 N TYR A 69 -15.064 4.036 -4.321 1.00 0.28 N ATOM 967 CA TYR A 69 -14.879 4.667 -3.020 1.00 0.27 C ATOM 968 C TYR A 69 -16.115 4.569 -2.143 1.00 0.27 C ATOM 969 O TYR A 69 -17.197 5.026 -2.510 1.00 0.30 O ATOM 970 CB TYR A 69 -14.476 6.131 -3.183 1.00 0.29 C ATOM 971 CG TYR A 69 -14.714 6.966 -1.949 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.146 6.620 -0.730 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.514 8.097 -2.010 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.379 7.386 0.405 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.748 8.862 -0.889 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.181 8.500 0.311 1.00 0.30 C ATOM 977 OH TYR A 69 -15.422 9.253 1.425 1.00 0.33 O ATOM 0 H TYR A 69 -15.213 4.688 -5.091 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.078 4.121 -2.521 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.420 6.181 -3.447 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.033 6.562 -4.015 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.516 5.745 -0.664 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -15.960 8.382 -2.951 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.936 7.110 1.350 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.373 9.741 -0.952 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.005 10.005 1.192 1.00 0.33 H new ATOM 987 N SER A 70 -15.938 3.954 -0.984 1.00 0.25 N ATOM 988 CA SER A 70 -16.939 3.976 0.060 1.00 0.27 C ATOM 989 C SER A 70 -16.237 4.047 1.410 1.00 0.29 C ATOM 990 O SER A 70 -15.416 3.188 1.731 1.00 0.28 O ATOM 991 CB SER A 70 -17.837 2.746 -0.047 1.00 0.30 C ATOM 992 OG SER A 70 -17.258 1.781 -0.911 1.00 0.99 O ATOM 0 H SER A 70 -15.097 3.428 -0.745 1.00 0.25 H new ATOM 0 HA SER A 70 -17.578 4.852 -0.047 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.989 2.313 0.942 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.818 3.036 -0.422 1.00 0.30 H new ATOM 0 HG SER A 70 -17.853 1.005 -0.980 1.00 0.99 H new ATOM 998 N SER A 71 -16.532 5.082 2.185 1.00 0.36 N ATOM 999 CA SER A 71 -15.873 5.282 3.468 1.00 0.42 C ATOM 1000 C SER A 71 -16.288 4.206 4.464 1.00 0.43 C ATOM 1001 O SER A 71 -15.584 3.938 5.438 1.00 0.50 O ATOM 1002 CB SER A 71 -16.188 6.665 4.017 1.00 0.50 C ATOM 1003 OG SER A 71 -17.586 6.867 4.147 1.00 0.54 O ATOM 0 H SER A 71 -17.222 5.795 1.948 1.00 0.36 H new ATOM 0 HA SER A 71 -14.797 5.206 3.314 1.00 0.42 H new ATOM 0 HB2 SER A 71 -15.710 6.790 4.988 1.00 0.50 H new ATOM 0 HB3 SER A 71 -15.770 7.424 3.356 1.00 0.50 H new ATOM 0 HG SER A 71 -17.755 7.764 4.504 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.428 3.586 4.199 1.00 0.39 N ATOM 1010 CA ALA A 72 -17.943 2.527 5.050 1.00 0.43 C ATOM 1011 C ALA A 72 -17.544 1.152 4.523 1.00 0.40 C ATOM 1012 O ALA A 72 -17.987 0.129 5.041 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.451 2.632 5.153 1.00 0.47 C ATOM 0 H ALA A 72 -18.017 3.801 3.395 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.507 2.645 6.042 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.828 1.834 5.793 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -19.720 3.598 5.580 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -19.891 2.539 4.160 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.710 1.129 3.492 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.292 -0.126 2.889 1.00 0.30 C ATOM 1021 C ASN A 73 -14.980 -0.598 3.488 1.00 0.33 C ATOM 1022 O ASN A 73 -14.152 0.211 3.911 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.139 0.023 1.382 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.978 -0.994 0.632 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -18.021 -1.427 1.115 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.540 -1.378 -0.554 1.00 0.95 N ATOM 0 H ASN A 73 -16.312 1.962 3.058 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.064 -0.867 3.095 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.433 1.029 1.084 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.091 -0.097 1.109 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.073 -2.055 -1.100 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -15.669 -0.997 -0.924 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.792 -1.907 3.529 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.557 -2.474 4.032 1.00 0.35 C ATOM 1035 C ARG A 74 -12.501 -2.486 2.939 1.00 0.27 C ATOM 1036 O ARG A 74 -12.591 -3.249 1.976 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.789 -3.893 4.537 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.619 -3.974 5.807 1.00 0.73 C ATOM 1039 CD ARG A 74 -13.860 -3.414 6.996 1.00 1.02 C ATOM 1040 NE ARG A 74 -14.598 -3.579 8.245 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.021 -3.735 9.435 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -12.700 -3.803 9.533 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -14.767 -3.840 10.526 1.00 2.50 N ATOM 0 H ARG A 74 -15.480 -2.594 3.220 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.208 -1.857 4.860 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.285 -4.468 3.755 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.823 -4.365 4.717 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.549 -3.421 5.673 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.890 -5.012 6.002 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -12.894 -3.913 7.077 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.659 -2.355 6.831 1.00 1.02 H new ATOM 0 HE ARG A 74 -15.617 -3.575 8.204 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.122 -3.736 8.695 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -12.262 -3.923 10.446 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -15.784 -3.801 10.454 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -14.324 -3.959 11.437 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.511 -1.632 3.092 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.363 -1.613 2.209 1.00 0.14 C ATOM 1059 C TYR A 75 -9.106 -1.614 3.041 1.00 0.13 C ATOM 1060 O TYR A 75 -8.853 -0.682 3.798 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.374 -0.393 1.296 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.517 -0.374 0.323 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.745 -1.456 -0.503 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.369 0.719 0.232 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.793 -1.458 -1.394 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.421 0.726 -0.662 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.627 -0.369 -1.473 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.676 -0.381 -2.360 1.00 0.35 O ATOM 0 H TYR A 75 -11.479 -0.931 3.832 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.401 -2.499 1.576 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.416 0.507 1.909 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.436 -0.358 0.741 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.091 -2.314 -0.449 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.206 1.575 0.870 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.960 -2.314 -2.031 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -14.077 1.582 -0.725 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.898 0.538 -2.617 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.342 -2.669 2.918 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.114 -2.808 3.669 1.00 0.13 C ATOM 1080 C ALA A 76 -5.987 -3.194 2.749 1.00 0.12 C ATOM 1081 O ALA A 76 -6.211 -3.546 1.601 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.253 -3.826 4.778 1.00 0.16 C ATOM 0 H ALA A 76 -8.549 -3.453 2.299 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.892 -1.845 4.128 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.311 -3.904 5.321 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.041 -3.513 5.463 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.507 -4.796 4.351 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.780 -3.123 3.251 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.620 -3.381 2.442 1.00 0.13 C ATOM 1090 C ALA A 77 -2.548 -4.045 3.270 1.00 0.14 C ATOM 1091 O ALA A 77 -2.600 -4.013 4.487 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.111 -2.089 1.834 1.00 0.12 C ATOM 0 H ALA A 77 -4.577 -2.887 4.222 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.893 -4.056 1.631 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.232 -2.296 1.223 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.890 -1.648 1.212 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.844 -1.393 2.629 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.601 -4.656 2.603 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.498 -5.326 3.257 1.00 0.16 C ATOM 1100 C ARG A 78 0.697 -5.370 2.325 1.00 0.14 C ATOM 1101 O ARG A 78 0.634 -5.975 1.255 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.895 -6.728 3.656 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.563 -7.499 2.549 1.00 0.56 C ATOM 1104 CD ARG A 78 -2.389 -8.588 3.151 1.00 1.56 C ATOM 1105 NE ARG A 78 -3.428 -9.089 2.250 1.00 2.06 N ATOM 1106 CZ ARG A 78 -4.712 -9.211 2.586 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -5.124 -8.856 3.797 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -5.587 -9.705 1.718 1.00 3.35 N ATOM 0 H ARG A 78 -1.571 -4.704 1.585 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.232 -4.772 4.157 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.007 -7.270 3.982 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.569 -6.677 4.511 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.190 -6.836 1.952 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -0.815 -7.920 1.878 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -1.737 -9.413 3.438 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -2.856 -8.218 4.064 1.00 1.56 H new ATOM 0 HE ARG A 78 -3.152 -9.362 1.307 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -4.457 -8.488 4.475 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -6.108 -8.951 4.049 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -5.277 -9.993 0.790 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -6.569 -9.797 1.980 1.00 3.35 H new ATOM 1122 N LEU A 79 1.777 -4.726 2.701 1.00 0.17 N ATOM 1123 CA LEU A 79 2.937 -4.706 1.840 1.00 0.15 C ATOM 1124 C LEU A 79 4.123 -5.340 2.528 1.00 0.15 C ATOM 1125 O LEU A 79 4.594 -4.854 3.554 1.00 0.22 O ATOM 1126 CB LEU A 79 3.283 -3.285 1.405 1.00 0.16 C ATOM 1127 CG LEU A 79 3.880 -3.177 -0.005 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.078 -1.726 -0.394 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.184 -3.962 -0.117 1.00 0.16 C ATOM 0 H LEU A 79 1.878 -4.218 3.580 1.00 0.17 H new ATOM 0 HA LEU A 79 2.694 -5.285 0.949 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.381 -2.675 1.451 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.991 -2.863 2.118 1.00 0.16 H new ATOM 0 HG LEU A 79 3.171 -3.620 -0.705 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.502 -1.673 -1.397 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.118 -1.211 -0.378 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.757 -1.249 0.313 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.581 -3.865 -1.127 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.908 -3.569 0.597 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.995 -5.013 0.100 1.00 0.16 H new ATOM 1141 N ASP A 80 4.586 -6.427 1.948 1.00 0.12 N ATOM 1142 CA ASP A 80 5.798 -7.080 2.387 1.00 0.12 C ATOM 1143 C ASP A 80 6.963 -6.579 1.555 1.00 0.11 C ATOM 1144 O ASP A 80 6.915 -6.599 0.332 1.00 0.15 O ATOM 1145 CB ASP A 80 5.660 -8.596 2.260 1.00 0.15 C ATOM 1146 CG ASP A 80 6.947 -9.342 2.578 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.757 -9.572 1.656 1.00 2.22 O ATOM 1148 OD2 ASP A 80 7.142 -9.727 3.750 1.00 1.06 O ATOM 0 H ASP A 80 4.131 -6.883 1.157 1.00 0.12 H new ATOM 0 HA ASP A 80 5.978 -6.844 3.436 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.873 -8.940 2.930 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.346 -8.842 1.246 1.00 0.15 H new ATOM 1153 N VAL A 81 7.987 -6.082 2.201 1.00 0.09 N ATOM 1154 CA VAL A 81 9.170 -5.662 1.484 1.00 0.10 C ATOM 1155 C VAL A 81 10.308 -6.599 1.828 1.00 0.12 C ATOM 1156 O VAL A 81 10.853 -6.547 2.924 1.00 0.13 O ATOM 1157 CB VAL A 81 9.584 -4.217 1.814 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.627 -3.738 0.826 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.381 -3.284 1.827 1.00 0.09 C ATOM 0 H VAL A 81 8.029 -5.958 3.213 1.00 0.09 H new ATOM 0 HA VAL A 81 8.940 -5.695 0.419 1.00 0.10 H new ATOM 0 HB VAL A 81 10.016 -4.206 2.815 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.914 -2.715 1.067 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.504 -4.383 0.881 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.215 -3.771 -0.183 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.708 -2.272 2.063 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.904 -3.292 0.847 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.668 -3.620 2.580 1.00 0.09 H new ATOM 1169 N SER A 82 10.651 -7.450 0.887 1.00 0.14 N ATOM 1170 CA SER A 82 11.696 -8.428 1.079 1.00 0.17 C ATOM 1171 C SER A 82 12.734 -8.304 -0.031 1.00 0.20 C ATOM 1172 O SER A 82 12.512 -8.745 -1.159 1.00 0.25 O ATOM 1173 CB SER A 82 11.086 -9.827 1.099 1.00 0.21 C ATOM 1174 OG SER A 82 9.970 -9.908 0.225 1.00 0.82 O ATOM 0 H SER A 82 10.212 -7.483 -0.033 1.00 0.14 H new ATOM 0 HA SER A 82 12.194 -8.250 2.032 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.837 -10.559 0.804 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.777 -10.078 2.114 1.00 0.21 H new ATOM 0 HG SER A 82 9.162 -10.107 0.743 1.00 0.82 H new ATOM 1180 N PHE A 83 13.861 -7.698 0.295 1.00 0.21 N ATOM 1181 CA PHE A 83 14.901 -7.436 -0.683 1.00 0.24 C ATOM 1182 C PHE A 83 16.271 -7.441 -0.018 1.00 0.24 C ATOM 1183 O PHE A 83 16.599 -6.539 0.752 1.00 0.23 O ATOM 1184 CB PHE A 83 14.646 -6.092 -1.377 1.00 0.26 C ATOM 1185 CG PHE A 83 15.767 -5.652 -2.278 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.087 -6.377 -3.415 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.506 -4.519 -1.982 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.118 -5.979 -4.240 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.541 -4.116 -2.802 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.848 -4.847 -3.933 1.00 0.34 C ATOM 0 H PHE A 83 14.080 -7.376 1.238 1.00 0.21 H new ATOM 0 HA PHE A 83 14.882 -8.226 -1.434 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.729 -6.164 -1.962 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.481 -5.327 -0.618 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.522 -7.265 -3.658 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.270 -3.944 -1.099 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.354 -6.551 -5.125 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.110 -3.230 -2.559 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.657 -4.534 -4.576 1.00 0.34 H new ATOM 1200 N GLY A 84 17.057 -8.465 -0.307 1.00 0.30 N ATOM 1201 CA GLY A 84 18.388 -8.560 0.254 1.00 0.34 C ATOM 1202 C GLY A 84 18.370 -8.712 1.759 1.00 0.34 C ATOM 1203 O GLY A 84 18.094 -9.793 2.280 1.00 0.41 O ATOM 0 H GLY A 84 16.796 -9.235 -0.923 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.906 -9.411 -0.188 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.956 -7.668 -0.012 1.00 0.34 H new ATOM 1207 N SER A 85 18.659 -7.628 2.458 1.00 0.32 N ATOM 1208 CA SER A 85 18.725 -7.655 3.907 1.00 0.36 C ATOM 1209 C SER A 85 17.420 -7.193 4.548 1.00 0.31 C ATOM 1210 O SER A 85 17.205 -7.387 5.746 1.00 0.35 O ATOM 1211 CB SER A 85 19.877 -6.791 4.381 1.00 0.43 C ATOM 1212 OG SER A 85 19.800 -5.481 3.838 1.00 0.42 O ATOM 0 H SER A 85 18.852 -6.716 2.043 1.00 0.32 H new ATOM 0 HA SER A 85 18.888 -8.688 4.215 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.869 -6.736 5.470 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.822 -7.251 4.092 1.00 0.43 H new ATOM 0 HG SER A 85 20.555 -4.947 4.163 1.00 0.42 H new ATOM 1218 N VAL A 86 16.541 -6.594 3.756 1.00 0.24 N ATOM 1219 CA VAL A 86 15.288 -6.082 4.290 1.00 0.20 C ATOM 1220 C VAL A 86 14.154 -7.084 4.106 1.00 0.17 C ATOM 1221 O VAL A 86 14.028 -7.715 3.055 1.00 0.18 O ATOM 1222 CB VAL A 86 14.875 -4.728 3.655 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.531 -4.873 2.178 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.703 -4.127 4.411 1.00 0.19 C ATOM 0 H VAL A 86 16.670 -6.452 2.754 1.00 0.24 H new ATOM 0 HA VAL A 86 15.465 -5.920 5.353 1.00 0.20 H new ATOM 0 HB VAL A 86 15.732 -4.058 3.728 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.247 -3.901 1.773 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.399 -5.252 1.638 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.700 -5.570 2.065 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.424 -3.177 3.954 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.855 -4.811 4.372 1.00 0.19 H new ATOM 0 HG23 VAL A 86 13.987 -3.960 5.450 1.00 0.19 H new ATOM 1234 N THR A 87 13.365 -7.261 5.150 1.00 0.17 N ATOM 1235 CA THR A 87 12.101 -7.965 5.049 1.00 0.17 C ATOM 1236 C THR A 87 11.142 -7.431 6.105 1.00 0.15 C ATOM 1237 O THR A 87 11.384 -7.558 7.306 1.00 0.18 O ATOM 1238 CB THR A 87 12.268 -9.486 5.214 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.284 -9.966 4.321 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.960 -10.184 4.902 1.00 0.23 C ATOM 0 H THR A 87 13.581 -6.922 6.087 1.00 0.17 H new ATOM 0 HA THR A 87 11.699 -7.790 4.051 1.00 0.17 H new ATOM 0 HB THR A 87 12.558 -9.698 6.243 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.365 -9.355 3.559 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.085 -11.260 5.021 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.187 -9.831 5.585 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.666 -9.964 3.876 1.00 0.23 H new ATOM 1248 N ILE A 88 10.052 -6.839 5.641 1.00 0.12 N ATOM 1249 CA ILE A 88 9.115 -6.118 6.503 1.00 0.11 C ATOM 1250 C ILE A 88 7.714 -6.205 5.934 1.00 0.10 C ATOM 1251 O ILE A 88 7.536 -6.632 4.796 1.00 0.11 O ATOM 1252 CB ILE A 88 9.468 -4.633 6.632 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.196 -3.929 5.315 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.913 -4.448 7.059 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.614 -2.485 5.310 1.00 0.09 C ATOM 0 H ILE A 88 9.788 -6.842 4.656 1.00 0.12 H new ATOM 0 HA ILE A 88 9.175 -6.586 7.486 1.00 0.11 H new ATOM 0 HB ILE A 88 8.842 -4.190 7.406 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.720 -4.454 4.516 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.131 -3.992 5.092 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.134 -3.384 7.142 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.071 -4.928 8.025 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.572 -4.899 6.317 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.390 -2.045 4.338 1.00 0.09 H new ATOM 0 HD12 ILE A 88 9.071 -1.946 6.086 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.685 -2.415 5.502 1.00 0.09 H new ATOM 1267 N GLN A 89 6.724 -5.813 6.716 1.00 0.11 N ATOM 1268 CA GLN A 89 5.360 -5.750 6.221 1.00 0.14 C ATOM 1269 C GLN A 89 4.564 -4.672 6.951 1.00 0.14 C ATOM 1270 O GLN A 89 4.753 -4.444 8.145 1.00 0.20 O ATOM 1271 CB GLN A 89 4.655 -7.102 6.364 1.00 0.22 C ATOM 1272 CG GLN A 89 4.658 -7.653 7.782 1.00 0.68 C ATOM 1273 CD GLN A 89 3.700 -8.814 7.954 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.657 -8.875 7.303 1.00 1.53 O ATOM 1275 NE2 GLN A 89 4.049 -9.748 8.822 1.00 1.88 N ATOM 0 H GLN A 89 6.837 -5.535 7.691 1.00 0.11 H new ATOM 0 HA GLN A 89 5.410 -5.495 5.162 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.624 -7.000 6.027 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.137 -7.823 5.704 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.666 -7.976 8.041 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.390 -6.858 8.478 1.00 0.68 H new ATOM 0 HE21 GLN A 89 4.922 -9.660 9.342 1.00 1.88 H new ATOM 0 HE22 GLN A 89 3.445 -10.556 8.972 1.00 1.88 H new ATOM 1284 N CYS A 90 3.680 -4.011 6.218 1.00 0.20 N ATOM 1285 CA CYS A 90 2.778 -3.022 6.794 1.00 0.21 C ATOM 1286 C CYS A 90 1.369 -3.264 6.277 1.00 0.23 C ATOM 1287 O CYS A 90 1.195 -3.834 5.202 1.00 0.31 O ATOM 1288 CB CYS A 90 3.222 -1.601 6.473 1.00 0.22 C ATOM 1289 SG CYS A 90 4.861 -1.139 7.135 1.00 0.97 S ATOM 0 H CYS A 90 3.567 -4.143 5.213 1.00 0.20 H new ATOM 0 HA CYS A 90 2.797 -3.131 7.878 1.00 0.21 H new ATOM 0 HB2 CYS A 90 3.235 -1.476 5.390 1.00 0.22 H new ATOM 0 HB3 CYS A 90 2.479 -0.906 6.865 1.00 0.22 H new ATOM 1294 N ASN A 91 0.370 -2.825 7.026 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.016 -3.211 6.757 1.00 0.18 C ATOM 1296 C ASN A 91 -1.967 -2.034 6.959 1.00 0.16 C ATOM 1297 O ASN A 91 -1.903 -1.346 7.978 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.408 -4.363 7.684 1.00 0.20 C ATOM 1299 CG ASN A 91 -2.729 -5.013 7.322 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -2.659 -6.113 6.590 1.00 1.87 O flip ATOM 1301 ND2 ASN A 91 -3.797 -4.554 7.721 1.00 1.82 N flip ATOM 0 H ASN A 91 0.487 -2.202 7.825 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.092 -3.529 5.717 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -0.623 -5.119 7.662 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.464 -3.992 8.707 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -3.808 -3.703 8.283 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -4.672 -5.024 7.490 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.845 -1.814 5.984 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.751 -0.665 6.007 1.00 0.13 C ATOM 1310 C LEU A 92 -4.921 -0.895 6.954 1.00 0.14 C ATOM 1311 O LEU A 92 -5.507 -1.978 6.986 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.289 -0.322 4.606 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.566 0.529 4.589 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.301 1.946 5.082 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.156 0.577 3.203 1.00 0.12 C ATOM 0 H LEU A 92 -2.950 -2.416 5.167 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.161 0.178 6.366 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.511 0.207 4.055 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.483 -1.252 4.071 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.278 0.057 5.266 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.228 2.519 5.056 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.924 1.911 6.104 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.561 2.423 4.439 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.060 1.185 3.213 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.433 1.014 2.515 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.402 -0.434 2.877 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.242 0.130 7.728 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.457 0.143 8.528 1.00 0.19 C ATOM 1329 C ASP A 93 -7.589 0.749 7.716 1.00 0.17 C ATOM 1330 O ASP A 93 -7.562 1.927 7.395 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.252 0.936 9.823 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.483 0.155 10.868 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -6.127 -0.559 11.670 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -4.237 0.250 10.896 1.00 2.13 O ATOM 0 H ASP A 93 -4.672 0.971 7.819 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.710 -0.882 8.798 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.718 1.859 9.599 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.223 1.220 10.229 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.604 -0.049 7.363 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.713 0.413 6.519 1.00 0.19 C ATOM 1341 C PRO A 94 -10.490 1.561 7.156 1.00 0.23 C ATOM 1342 O PRO A 94 -11.276 2.243 6.496 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.607 -0.824 6.383 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.215 -1.707 7.516 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.755 -1.460 7.742 1.00 0.21 C ATOM 0 HA PRO A 94 -9.357 0.803 5.565 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.662 -0.557 6.437 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.453 -1.319 5.424 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.793 -1.475 8.410 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.402 -2.754 7.278 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.471 -1.633 8.780 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.134 -2.113 7.128 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.252 1.778 8.440 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.850 2.865 9.162 1.00 0.34 C ATOM 1355 C GLU A 95 -10.187 4.191 8.817 1.00 0.32 C ATOM 1356 O GLU A 95 -10.543 5.229 9.365 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.743 2.586 10.638 1.00 0.44 C ATOM 1358 CG GLU A 95 -11.755 1.595 11.137 1.00 0.69 C ATOM 1359 CD GLU A 95 -11.610 1.305 12.613 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -10.645 0.609 12.993 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -12.466 1.766 13.399 1.00 1.21 O ATOM 0 H GLU A 95 -9.633 1.196 9.004 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.899 2.946 8.877 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -9.743 2.213 10.857 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -10.862 3.521 11.186 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -12.757 1.977 10.943 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.654 0.665 10.577 1.00 0.69 H new ATOM 1368 N THR A 96 -9.221 4.153 7.911 1.00 0.23 N ATOM 1369 CA THR A 96 -8.531 5.353 7.498 1.00 0.24 C ATOM 1370 C THR A 96 -8.984 5.816 6.112 1.00 0.23 C ATOM 1371 O THR A 96 -8.845 6.992 5.773 1.00 0.30 O ATOM 1372 CB THR A 96 -7.018 5.130 7.484 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.650 4.320 6.367 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.563 4.464 8.774 1.00 0.31 C ATOM 0 H THR A 96 -8.901 3.301 7.451 1.00 0.23 H new ATOM 0 HA THR A 96 -8.779 6.129 8.222 1.00 0.24 H new ATOM 0 HB THR A 96 -6.529 6.101 7.399 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.193 4.872 5.699 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.484 4.314 8.745 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.818 5.100 9.622 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.061 3.500 8.881 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.522 4.874 5.325 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.045 5.147 3.970 1.00 0.23 C ATOM 1384 C VAL A 97 -10.846 6.443 3.898 1.00 0.29 C ATOM 1385 O VAL A 97 -10.799 7.139 2.892 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.945 3.992 3.473 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.600 4.333 2.134 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.144 2.704 3.361 1.00 0.51 C ATOM 0 H VAL A 97 -9.609 3.898 5.607 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.167 5.243 3.331 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.739 3.848 4.206 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.226 3.500 1.813 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.214 5.226 2.246 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.827 4.516 1.387 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.793 1.901 3.010 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.326 2.845 2.655 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.739 2.442 4.338 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.575 6.744 4.968 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.436 7.928 5.034 1.00 0.38 C ATOM 1400 C LYS A 98 -11.725 9.199 4.605 1.00 0.40 C ATOM 1401 O LYS A 98 -11.112 9.886 5.423 1.00 0.47 O ATOM 1402 CB LYS A 98 -13.035 8.112 6.416 1.00 0.55 C ATOM 1403 CG LYS A 98 -12.278 7.363 7.452 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.069 6.175 7.962 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.954 4.969 7.046 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.763 3.818 7.531 1.00 2.40 N ATOM 0 H LYS A 98 -11.588 6.177 5.815 1.00 0.29 H new ATOM 0 HA LYS A 98 -13.242 7.745 4.323 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -13.045 9.172 6.669 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -14.072 7.776 6.410 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -11.331 7.020 7.036 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -12.040 8.027 8.283 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.716 5.907 8.958 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.118 6.455 8.060 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.280 5.244 6.043 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.908 4.670 6.970 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -13.238 2.934 7.374 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.954 3.931 8.547 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.663 3.783 7.012 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.807 9.488 3.309 1.00 0.47 N ATOM 1421 CA LEU A 99 -11.316 10.737 2.756 1.00 0.58 C ATOM 1422 C LEU A 99 -9.808 10.891 2.956 1.00 0.73 C ATOM 1423 O LEU A 99 -9.312 12.000 3.155 1.00 1.33 O ATOM 1424 CB LEU A 99 -12.068 11.907 3.387 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.526 12.095 2.941 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.624 12.154 1.424 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.414 10.987 3.492 1.00 0.76 C ATOM 0 H LEU A 99 -12.216 8.860 2.617 1.00 0.47 H new ATOM 0 HA LEU A 99 -11.497 10.730 1.681 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -12.054 11.779 4.469 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.521 12.824 3.167 1.00 0.53 H new ATOM 0 HG LEU A 99 -13.879 13.044 3.345 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -14.666 12.287 1.132 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -13.033 12.992 1.054 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -13.244 11.225 0.998 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -15.440 11.145 3.161 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -14.060 10.022 3.129 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.378 11.000 4.581 1.00 0.76 H new ATOM 1439 N GLU A 100 -9.084 9.779 2.895 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.634 9.813 3.030 1.00 1.25 C ATOM 1441 C GLU A 100 -6.997 10.254 1.712 1.00 2.09 C ATOM 1442 O GLU A 100 -7.531 9.988 0.632 1.00 2.87 O ATOM 1443 CB GLU A 100 -7.093 8.443 3.448 1.00 2.15 C ATOM 1444 CG GLU A 100 -5.624 8.471 3.841 1.00 2.70 C ATOM 1445 CD GLU A 100 -5.044 7.096 4.108 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -5.512 6.413 5.044 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -4.086 6.708 3.410 1.00 4.13 O ATOM 0 H GLU A 100 -9.476 8.848 2.754 1.00 1.05 H new ATOM 0 HA GLU A 100 -7.377 10.532 3.808 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.679 8.069 4.287 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -7.229 7.740 2.626 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -5.052 8.950 3.046 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -5.506 9.086 4.733 1.00 2.70 H new ATOM 1454 N HIS A 101 -5.873 10.956 1.803 1.00 2.68 N ATOM 1455 CA HIS A 101 -5.160 11.420 0.618 1.00 3.89 C ATOM 1456 C HIS A 101 -3.691 11.042 0.718 1.00 4.59 C ATOM 1457 O HIS A 101 -2.931 11.779 1.375 1.00 5.06 O ATOM 1458 CB HIS A 101 -5.296 12.938 0.446 1.00 4.61 C ATOM 1459 CG HIS A 101 -6.707 13.411 0.285 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -7.314 13.582 -0.941 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -7.635 13.747 1.210 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -8.552 14.002 -0.761 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -8.772 14.109 0.535 1.00 6.64 N ATOM 0 H HIS A 101 -5.435 11.217 2.687 1.00 2.68 H new ATOM 0 HA HIS A 101 -5.603 10.939 -0.254 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -4.855 13.432 1.312 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -4.719 13.247 -0.425 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -7.504 13.733 2.282 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -9.264 14.221 -1.543 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -9.646 14.412 0.965 1.00 6.64 H new TER 1472 HIS A 101