USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 840 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 51 SER OG : rot 180:sc= 0.211 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.0227 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.644 K(o=0.96,f=-0.85) USER MOD Set 2.2: A 98 LYS NZ :NH3+ 150:sc= 0.313 (180deg=0) USER MOD Set 3.1: A 1 GLN : amide:sc= 0.978 K(o=-0.52,f=-3) USER MOD Set 3.2: A 115 ASN : amide:sc= -1.5! C(o=-0.52!,f=-2.1!) USER MOD Single : A 1 GLN N :NH3+ -128:sc= 0.282 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 8 SER OG : rot 24:sc= 0.0294 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0531 X(o=0.053,f=-0.036) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 23 ASN : amide:sc= -1.46 K(o=-1.5,f=-6.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.28! C(o=-3.3!,f=-6!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -150:sc= 0.495 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -170:sc= -0.0504 (180deg=-0.295) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0423 K(o=0.042,f=-4.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.37) USER MOD Single : A 66 ASN : amide:sc= 1.64 K(o=1.6,f=-0.031) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00268 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00622 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00194 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -109:sc= 0.892 (180deg=0.0192) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -143:sc= 0.287 USER MOD Single : A 121 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 57:sc= 0.0332 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00971 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -29.258 13.102 20.599 1.00 42.22 N ATOM 2 CA GLN A 1 -29.097 13.845 19.336 1.00 65.44 C ATOM 3 C GLN A 1 -27.644 14.307 19.231 1.00 32.44 C ATOM 4 O GLN A 1 -26.850 13.882 20.071 1.00 64.14 O ATOM 5 CB GLN A 1 -30.147 14.952 19.155 1.00 33.14 C ATOM 6 CG GLN A 1 -30.016 16.186 20.062 1.00 45.44 C ATOM 7 CD GLN A 1 -30.768 17.370 19.453 1.00 11.40 C ATOM 8 OE1 GLN A 1 -30.462 17.784 18.338 1.00 62.34 O ATOM 9 NE2 GLN A 1 -31.747 17.929 20.133 1.00 3.13 N ATOM 0 H1 GLN A 1 -29.696 12.179 20.405 1.00 42.22 H new ATOM 0 H2 GLN A 1 -28.326 12.958 21.038 1.00 42.22 H new ATOM 0 H3 GLN A 1 -29.865 13.644 21.246 1.00 42.22 H new ATOM 0 HA GLN A 1 -29.297 13.189 18.489 1.00 65.44 H new ATOM 0 HB2 GLN A 1 -30.112 15.287 18.118 1.00 33.14 H new ATOM 0 HB3 GLN A 1 -31.133 14.515 19.316 1.00 33.14 H new ATOM 0 HG2 GLN A 1 -30.414 15.963 21.052 1.00 45.44 H new ATOM 0 HG3 GLN A 1 -28.964 16.441 20.192 1.00 45.44 H new ATOM 0 HE21 GLN A 1 -31.992 17.576 21.058 1.00 3.13 H new ATOM 0 HE22 GLN A 1 -32.261 18.715 19.735 1.00 3.13 H new ATOM 16 N ALA A 2 -27.269 15.099 18.221 1.00 62.44 N ATOM 17 CA ALA A 2 -25.895 15.113 17.712 1.00 4.20 C ATOM 18 C ALA A 2 -25.500 13.688 17.293 1.00 64.22 C ATOM 19 O ALA A 2 -26.385 12.841 17.128 1.00 42.42 O ATOM 20 CB ALA A 2 -24.941 15.793 18.713 1.00 3.20 C ATOM 0 H ALA A 2 -27.900 15.740 17.739 1.00 62.44 H new ATOM 0 HA ALA A 2 -25.819 15.727 16.815 1.00 4.20 H new ATOM 0 HB1 ALA A 2 -23.928 15.790 18.310 1.00 3.20 H new ATOM 0 HB2 ALA A 2 -25.262 16.821 18.880 1.00 3.20 H new ATOM 0 HB3 ALA A 2 -24.957 15.250 19.658 1.00 3.20 H new ATOM 26 N GLN A 3 -24.201 13.438 17.085 1.00 22.54 N ATOM 27 CA GLN A 3 -23.619 12.265 16.434 1.00 52.24 C ATOM 28 C GLN A 3 -23.843 12.390 14.924 1.00 23.10 C ATOM 29 O GLN A 3 -24.970 12.635 14.474 1.00 51.12 O ATOM 30 CB GLN A 3 -24.129 10.946 17.065 1.00 64.43 C ATOM 31 CG GLN A 3 -23.386 9.692 16.599 1.00 5.42 C ATOM 32 CD GLN A 3 -24.074 8.993 15.430 1.00 1.21 C ATOM 33 OE1 GLN A 3 -23.744 9.231 14.274 1.00 64.32 O ATOM 34 NE2 GLN A 3 -24.993 8.076 15.683 1.00 21.24 N ATOM 0 H GLN A 3 -23.483 14.096 17.389 1.00 22.54 H new ATOM 0 HA GLN A 3 -22.542 12.226 16.598 1.00 52.24 H new ATOM 0 HB2 GLN A 3 -24.046 11.021 18.149 1.00 64.43 H new ATOM 0 HB3 GLN A 3 -25.188 10.833 16.834 1.00 64.43 H new ATOM 0 HG2 GLN A 3 -22.372 9.964 16.307 1.00 5.42 H new ATOM 0 HG3 GLN A 3 -23.301 8.995 17.433 1.00 5.42 H new ATOM 0 HE21 GLN A 3 -25.266 7.880 16.646 1.00 21.24 H new ATOM 0 HE22 GLN A 3 -25.429 7.565 14.915 1.00 21.24 H new ATOM 41 N GLY A 4 -22.770 12.296 14.137 1.00 61.22 N ATOM 42 CA GLY A 4 -22.819 12.546 12.705 1.00 32.50 C ATOM 43 C GLY A 4 -21.578 12.041 11.979 1.00 12.00 C ATOM 44 O GLY A 4 -20.637 11.524 12.594 1.00 63.53 O ATOM 0 H GLY A 4 -21.843 12.044 14.480 1.00 61.22 H new ATOM 0 HA2 GLY A 4 -23.702 12.064 12.286 1.00 32.50 H new ATOM 0 HA3 GLY A 4 -22.927 13.616 12.530 1.00 32.50 H new ATOM 48 N VAL A 5 -21.598 12.188 10.656 1.00 74.24 N ATOM 49 CA VAL A 5 -20.577 11.739 9.736 1.00 41.43 C ATOM 50 C VAL A 5 -19.493 12.807 9.645 1.00 34.44 C ATOM 51 O VAL A 5 -19.720 14.000 9.877 1.00 1.23 O ATOM 52 CB VAL A 5 -21.239 11.445 8.371 1.00 65.41 C ATOM 53 CG1 VAL A 5 -20.273 11.160 7.208 1.00 13.33 C ATOM 54 CG2 VAL A 5 -22.170 10.232 8.510 1.00 51.03 C ATOM 0 H VAL A 5 -22.373 12.650 10.180 1.00 74.24 H new ATOM 0 HA VAL A 5 -20.103 10.820 10.080 1.00 41.43 H new ATOM 0 HB VAL A 5 -21.766 12.364 8.116 1.00 65.41 H new ATOM 0 HG11 VAL A 5 -20.844 10.967 6.300 1.00 13.33 H new ATOM 0 HG12 VAL A 5 -19.625 12.023 7.053 1.00 13.33 H new ATOM 0 HG13 VAL A 5 -19.664 10.288 7.446 1.00 13.33 H new ATOM 0 HG21 VAL A 5 -22.639 10.021 7.549 1.00 51.03 H new ATOM 0 HG22 VAL A 5 -21.592 9.365 8.830 1.00 51.03 H new ATOM 0 HG23 VAL A 5 -22.940 10.448 9.250 1.00 51.03 H new ATOM 64 N LEU A 6 -18.303 12.340 9.307 1.00 64.53 N ATOM 65 CA LEU A 6 -17.075 13.075 9.054 1.00 52.02 C ATOM 66 C LEU A 6 -16.375 12.364 7.888 1.00 62.15 C ATOM 67 O LEU A 6 -16.492 11.143 7.740 1.00 21.23 O ATOM 68 CB LEU A 6 -16.171 13.087 10.309 1.00 72.45 C ATOM 69 CG LEU A 6 -16.886 13.319 11.663 1.00 71.44 C ATOM 70 CD1 LEU A 6 -17.144 12.009 12.418 1.00 41.01 C ATOM 71 CD2 LEU A 6 -16.103 14.269 12.561 1.00 44.04 C ATOM 0 H LEU A 6 -18.159 11.337 9.192 1.00 64.53 H new ATOM 0 HA LEU A 6 -17.287 14.116 8.810 1.00 52.02 H new ATOM 0 HB2 LEU A 6 -15.642 12.135 10.359 1.00 72.45 H new ATOM 0 HB3 LEU A 6 -15.418 13.864 10.181 1.00 72.45 H new ATOM 0 HG LEU A 6 -17.846 13.772 11.416 1.00 71.44 H new ATOM 0 HD11 LEU A 6 -17.647 12.225 13.360 1.00 41.01 H new ATOM 0 HD12 LEU A 6 -17.774 11.358 11.812 1.00 41.01 H new ATOM 0 HD13 LEU A 6 -16.195 11.512 12.619 1.00 41.01 H new ATOM 0 HD21 LEU A 6 -16.638 14.405 13.501 1.00 44.04 H new ATOM 0 HD22 LEU A 6 -15.117 13.850 12.762 1.00 44.04 H new ATOM 0 HD23 LEU A 6 -15.993 15.232 12.063 1.00 44.04 H new ATOM 82 N ALA A 7 -15.635 13.093 7.053 1.00 14.11 N ATOM 83 CA ALA A 7 -14.822 12.514 5.988 1.00 53.14 C ATOM 84 C ALA A 7 -13.752 13.517 5.567 1.00 65.13 C ATOM 85 O ALA A 7 -13.765 14.667 6.016 1.00 33.14 O ATOM 86 CB ALA A 7 -15.700 12.151 4.779 1.00 13.01 C ATOM 0 H ALA A 7 -15.584 14.111 7.099 1.00 14.11 H new ATOM 0 HA ALA A 7 -14.348 11.605 6.358 1.00 53.14 H new ATOM 0 HB1 ALA A 7 -15.078 11.721 3.994 1.00 13.01 H new ATOM 0 HB2 ALA A 7 -16.455 11.426 5.082 1.00 13.01 H new ATOM 0 HB3 ALA A 7 -16.190 13.049 4.402 1.00 13.01 H new ATOM 92 N SER A 8 -12.851 13.095 4.680 1.00 1.42 N ATOM 93 CA SER A 8 -11.877 13.951 4.032 1.00 70.34 C ATOM 94 C SER A 8 -11.363 13.251 2.767 1.00 22.11 C ATOM 95 O SER A 8 -10.943 12.092 2.845 1.00 63.55 O ATOM 96 CB SER A 8 -10.773 14.313 5.042 1.00 71.45 C ATOM 97 OG SER A 8 -9.914 13.246 5.413 1.00 33.23 O ATOM 0 H SER A 8 -12.783 12.120 4.389 1.00 1.42 H new ATOM 0 HA SER A 8 -12.319 14.894 3.708 1.00 70.34 H new ATOM 0 HB2 SER A 8 -10.167 15.115 4.620 1.00 71.45 H new ATOM 0 HB3 SER A 8 -11.243 14.708 5.942 1.00 71.45 H new ATOM 0 HG SER A 8 -9.908 12.569 4.704 1.00 33.23 H new ATOM 102 N GLN A 9 -11.393 13.944 1.625 1.00 3.12 N ATOM 103 CA GLN A 9 -10.791 13.521 0.355 1.00 71.24 C ATOM 104 C GLN A 9 -9.272 13.325 0.553 1.00 64.52 C ATOM 105 O GLN A 9 -8.702 13.918 1.475 1.00 62.25 O ATOM 106 CB GLN A 9 -11.119 14.636 -0.662 1.00 43.02 C ATOM 107 CG GLN A 9 -10.637 14.490 -2.116 1.00 23.20 C ATOM 108 CD GLN A 9 -11.547 13.668 -3.036 1.00 53.43 C ATOM 109 OE1 GLN A 9 -12.058 12.603 -2.687 1.00 34.42 O ATOM 110 NE2 GLN A 9 -11.721 14.121 -4.267 1.00 33.32 N ATOM 0 H GLN A 9 -11.855 14.851 1.556 1.00 3.12 H new ATOM 0 HA GLN A 9 -11.180 12.569 -0.006 1.00 71.24 H new ATOM 0 HB2 GLN A 9 -12.203 14.751 -0.685 1.00 43.02 H new ATOM 0 HB3 GLN A 9 -10.708 15.567 -0.272 1.00 43.02 H new ATOM 0 HG2 GLN A 9 -10.522 15.486 -2.544 1.00 23.20 H new ATOM 0 HG3 GLN A 9 -9.648 14.031 -2.108 1.00 23.20 H new ATOM 0 HE21 GLN A 9 -11.296 15.004 -4.551 1.00 33.32 H new ATOM 0 HE22 GLN A 9 -12.281 13.588 -4.932 1.00 33.32 H new ATOM 117 N ALA A 10 -8.602 12.563 -0.322 1.00 2.14 N ATOM 118 CA ALA A 10 -7.164 12.297 -0.254 1.00 5.23 C ATOM 119 C ALA A 10 -6.452 12.724 -1.539 1.00 50.15 C ATOM 120 O ALA A 10 -7.077 13.147 -2.521 1.00 14.03 O ATOM 121 CB ALA A 10 -6.927 10.810 0.039 1.00 25.42 C ATOM 0 H ALA A 10 -9.057 12.106 -1.112 1.00 2.14 H new ATOM 0 HA ALA A 10 -6.741 12.890 0.557 1.00 5.23 H new ATOM 0 HB1 ALA A 10 -5.856 10.615 0.089 1.00 25.42 H new ATOM 0 HB2 ALA A 10 -7.388 10.549 0.992 1.00 25.42 H new ATOM 0 HB3 ALA A 10 -7.369 10.208 -0.755 1.00 25.42 H new ATOM 127 N LEU A 11 -5.124 12.628 -1.512 1.00 65.45 N ATOM 128 CA LEU A 11 -4.206 12.992 -2.580 1.00 4.11 C ATOM 129 C LEU A 11 -3.062 11.980 -2.646 1.00 3.34 C ATOM 130 O LEU A 11 -2.854 11.196 -1.715 1.00 13.03 O ATOM 131 CB LEU A 11 -3.708 14.433 -2.362 1.00 72.55 C ATOM 132 CG LEU A 11 -2.927 14.635 -1.043 1.00 70.51 C ATOM 133 CD1 LEU A 11 -1.413 14.556 -1.254 1.00 53.25 C ATOM 134 CD2 LEU A 11 -3.307 15.973 -0.406 1.00 71.21 C ATOM 0 H LEU A 11 -4.634 12.272 -0.691 1.00 65.45 H new ATOM 0 HA LEU A 11 -4.716 12.965 -3.543 1.00 4.11 H new ATOM 0 HB2 LEU A 11 -3.068 14.716 -3.198 1.00 72.55 H new ATOM 0 HB3 LEU A 11 -4.564 15.108 -2.373 1.00 72.55 H new ATOM 0 HG LEU A 11 -3.203 13.824 -0.370 1.00 70.51 H new ATOM 0 HD11 LEU A 11 -0.905 14.704 -0.301 1.00 53.25 H new ATOM 0 HD12 LEU A 11 -1.152 13.577 -1.657 1.00 53.25 H new ATOM 0 HD13 LEU A 11 -1.102 15.331 -1.955 1.00 53.25 H new ATOM 0 HD21 LEU A 11 -2.751 16.105 0.522 1.00 71.21 H new ATOM 0 HD22 LEU A 11 -3.065 16.784 -1.092 1.00 71.21 H new ATOM 0 HD23 LEU A 11 -4.376 15.984 -0.193 1.00 71.21 H new ATOM 145 N SER A 12 -2.296 12.033 -3.732 1.00 1.04 N ATOM 146 CA SER A 12 -1.117 11.215 -3.979 1.00 72.55 C ATOM 147 C SER A 12 0.076 12.172 -4.083 1.00 32.20 C ATOM 148 O SER A 12 -0.043 13.208 -4.742 1.00 72.22 O ATOM 149 CB SER A 12 -1.319 10.435 -5.292 1.00 34.12 C ATOM 150 OG SER A 12 -2.628 9.884 -5.420 1.00 32.44 O ATOM 0 H SER A 12 -2.491 12.678 -4.498 1.00 1.04 H new ATOM 0 HA SER A 12 -0.944 10.493 -3.181 1.00 72.55 H new ATOM 0 HB2 SER A 12 -1.127 11.099 -6.135 1.00 34.12 H new ATOM 0 HB3 SER A 12 -0.586 9.630 -5.346 1.00 34.12 H new ATOM 0 HG SER A 12 -2.699 9.403 -6.271 1.00 32.44 H new ATOM 155 N GLN A 13 1.220 11.853 -3.474 1.00 73.13 N ATOM 156 CA GLN A 13 2.452 12.631 -3.612 1.00 23.10 C ATOM 157 C GLN A 13 3.575 11.729 -4.135 1.00 11.44 C ATOM 158 O GLN A 13 3.419 10.506 -4.226 1.00 24.44 O ATOM 159 CB GLN A 13 2.830 13.309 -2.281 1.00 14.02 C ATOM 160 CG GLN A 13 1.997 14.558 -1.924 1.00 23.54 C ATOM 161 CD GLN A 13 2.884 15.790 -1.751 1.00 72.23 C ATOM 162 OE1 GLN A 13 3.340 16.096 -0.653 1.00 22.34 O ATOM 163 NE2 GLN A 13 3.198 16.472 -2.847 1.00 51.05 N ATOM 0 H GLN A 13 1.318 11.040 -2.866 1.00 73.13 H new ATOM 0 HA GLN A 13 2.292 13.430 -4.336 1.00 23.10 H new ATOM 0 HB2 GLN A 13 2.726 12.580 -1.477 1.00 14.02 H new ATOM 0 HB3 GLN A 13 3.882 13.592 -2.321 1.00 14.02 H new ATOM 0 HG2 GLN A 13 1.263 14.744 -2.708 1.00 23.54 H new ATOM 0 HG3 GLN A 13 1.442 14.376 -1.004 1.00 23.54 H new ATOM 0 HE21 GLN A 13 2.806 16.198 -3.748 1.00 51.05 H new ATOM 0 HE22 GLN A 13 3.831 17.270 -2.788 1.00 51.05 H new ATOM 170 N GLY A 14 4.696 12.343 -4.516 1.00 14.10 N ATOM 171 CA GLY A 14 5.911 11.677 -4.938 1.00 4.22 C ATOM 172 C GLY A 14 6.816 11.493 -3.730 1.00 31.24 C ATOM 173 O GLY A 14 6.856 10.400 -3.164 1.00 74.51 O ATOM 0 H GLY A 14 4.777 13.360 -4.537 1.00 14.10 H new ATOM 0 HA2 GLY A 14 5.676 10.710 -5.384 1.00 4.22 H new ATOM 0 HA3 GLY A 14 6.418 12.266 -5.703 1.00 4.22 H new ATOM 177 N SER A 15 7.559 12.544 -3.391 1.00 65.14 N ATOM 178 CA SER A 15 8.392 12.754 -2.226 1.00 12.42 C ATOM 179 C SER A 15 9.054 14.130 -2.392 1.00 34.21 C ATOM 180 O SER A 15 9.391 14.516 -3.523 1.00 50.34 O ATOM 181 CB SER A 15 9.427 11.639 -2.048 1.00 50.45 C ATOM 182 OG SER A 15 9.917 11.051 -3.250 1.00 5.20 O ATOM 0 H SER A 15 7.590 13.359 -4.003 1.00 65.14 H new ATOM 0 HA SER A 15 7.787 12.728 -1.319 1.00 12.42 H new ATOM 0 HB2 SER A 15 10.273 12.040 -1.491 1.00 50.45 H new ATOM 0 HB3 SER A 15 8.985 10.853 -1.435 1.00 50.45 H new ATOM 0 HG SER A 15 10.570 10.354 -3.031 1.00 5.20 H new ATOM 187 N GLU A 16 9.212 14.862 -1.289 1.00 73.52 N ATOM 188 CA GLU A 16 9.814 16.183 -1.187 1.00 21.52 C ATOM 189 C GLU A 16 10.360 16.438 0.234 1.00 65.12 C ATOM 190 O GLU A 16 9.907 15.805 1.192 1.00 70.55 O ATOM 191 CB GLU A 16 8.771 17.259 -1.548 1.00 21.12 C ATOM 192 CG GLU A 16 7.323 17.019 -1.070 1.00 45.44 C ATOM 193 CD GLU A 16 6.469 16.495 -2.228 1.00 71.31 C ATOM 194 OE1 GLU A 16 6.088 17.333 -3.083 1.00 70.45 O ATOM 195 OE2 GLU A 16 6.265 15.268 -2.378 1.00 74.35 O ATOM 0 H GLU A 16 8.899 14.519 -0.381 1.00 73.52 H new ATOM 0 HA GLU A 16 10.649 16.233 -1.886 1.00 21.52 H new ATOM 0 HB2 GLU A 16 9.110 18.210 -1.138 1.00 21.12 H new ATOM 0 HB3 GLU A 16 8.756 17.366 -2.633 1.00 21.12 H new ATOM 0 HG2 GLU A 16 7.316 16.302 -0.249 1.00 45.44 H new ATOM 0 HG3 GLU A 16 6.900 17.947 -0.686 1.00 45.44 H new ATOM 200 N PRO A 17 11.284 17.412 0.397 1.00 64.42 N ATOM 201 CA PRO A 17 11.821 17.847 1.690 1.00 71.33 C ATOM 202 C PRO A 17 10.853 18.703 2.523 1.00 13.04 C ATOM 203 O PRO A 17 11.217 19.115 3.630 1.00 13.41 O ATOM 204 CB PRO A 17 13.095 18.632 1.359 1.00 33.10 C ATOM 205 CG PRO A 17 12.811 19.204 -0.023 1.00 52.04 C ATOM 206 CD PRO A 17 11.986 18.101 -0.682 1.00 31.30 C ATOM 0 HA PRO A 17 12.007 16.975 2.318 1.00 71.33 H new ATOM 0 HB2 PRO A 17 13.282 19.420 2.089 1.00 33.10 H new ATOM 0 HB3 PRO A 17 13.974 17.987 1.354 1.00 33.10 H new ATOM 0 HG2 PRO A 17 12.260 20.143 0.033 1.00 52.04 H new ATOM 0 HG3 PRO A 17 13.730 19.406 -0.574 1.00 52.04 H new ATOM 0 HD2 PRO A 17 11.280 18.520 -1.400 1.00 31.30 H new ATOM 0 HD3 PRO A 17 12.627 17.411 -1.231 1.00 31.30 H new ATOM 211 N SER A 18 9.674 19.053 2.007 1.00 40.12 N ATOM 212 CA SER A 18 8.593 19.576 2.833 1.00 11.44 C ATOM 213 C SER A 18 7.927 18.412 3.570 1.00 22.50 C ATOM 214 O SER A 18 7.882 17.300 3.045 1.00 32.51 O ATOM 215 CB SER A 18 7.595 20.324 1.946 1.00 63.55 C ATOM 216 OG SER A 18 8.268 21.352 1.236 1.00 14.10 O ATOM 0 H SER A 18 9.446 18.982 1.015 1.00 40.12 H new ATOM 0 HA SER A 18 8.978 20.278 3.573 1.00 11.44 H new ATOM 0 HB2 SER A 18 7.125 19.633 1.247 1.00 63.55 H new ATOM 0 HB3 SER A 18 6.799 20.750 2.556 1.00 63.55 H new ATOM 0 HG SER A 18 7.629 21.829 0.667 1.00 14.10 H new ATOM 221 N SER A 19 7.368 18.674 4.749 1.00 74.12 N ATOM 222 CA SER A 19 6.535 17.739 5.487 1.00 13.23 C ATOM 223 C SER A 19 5.147 17.660 4.845 1.00 54.01 C ATOM 224 O SER A 19 4.159 18.108 5.434 1.00 21.33 O ATOM 225 CB SER A 19 6.522 18.146 6.970 1.00 34.10 C ATOM 226 OG SER A 19 6.544 19.558 7.155 1.00 60.31 O ATOM 0 H SER A 19 7.488 19.567 5.227 1.00 74.12 H new ATOM 0 HA SER A 19 6.939 16.727 5.443 1.00 13.23 H new ATOM 0 HB2 SER A 19 5.632 17.736 7.447 1.00 34.10 H new ATOM 0 HB3 SER A 19 7.384 17.705 7.471 1.00 34.10 H new ATOM 0 HG SER A 19 6.533 19.763 8.113 1.00 60.31 H new ATOM 231 N GLU A 20 5.105 17.106 3.631 1.00 53.42 N ATOM 232 CA GLU A 20 3.968 16.603 2.860 1.00 50.43 C ATOM 233 C GLU A 20 2.713 17.508 2.842 1.00 34.50 C ATOM 234 O GLU A 20 2.793 18.711 3.108 1.00 63.24 O ATOM 235 CB GLU A 20 3.774 15.105 3.181 1.00 52.01 C ATOM 236 CG GLU A 20 3.019 14.677 4.456 1.00 63.53 C ATOM 237 CD GLU A 20 3.586 15.106 5.812 1.00 50.14 C ATOM 238 OE1 GLU A 20 4.788 14.901 6.101 1.00 22.14 O ATOM 239 OE2 GLU A 20 2.792 15.606 6.642 1.00 52.02 O ATOM 0 H GLU A 20 5.970 16.986 3.104 1.00 53.42 H new ATOM 0 HA GLU A 20 4.202 16.664 1.797 1.00 50.43 H new ATOM 0 HB2 GLU A 20 3.256 14.657 2.333 1.00 52.01 H new ATOM 0 HB3 GLU A 20 4.765 14.653 3.225 1.00 52.01 H new ATOM 0 HG2 GLU A 20 2.001 15.060 4.385 1.00 63.53 H new ATOM 0 HG3 GLU A 20 2.951 13.589 4.453 1.00 63.53 H new ATOM 244 N ASN A 21 1.561 16.972 2.427 1.00 54.24 N ATOM 245 CA ASN A 21 0.249 17.630 2.539 1.00 25.12 C ATOM 246 C ASN A 21 -0.552 16.932 3.641 1.00 30.41 C ATOM 247 O ASN A 21 -0.232 15.801 3.998 1.00 51.21 O ATOM 248 CB ASN A 21 -0.537 17.528 1.223 1.00 12.34 C ATOM 249 CG ASN A 21 0.119 18.188 0.020 1.00 64.41 C ATOM 250 OD1 ASN A 21 0.311 17.552 -1.007 1.00 30.32 O ATOM 251 ND2 ASN A 21 0.403 19.479 0.072 1.00 52.24 N ATOM 0 H ASN A 21 1.510 16.050 1.994 1.00 54.24 H new ATOM 0 HA ASN A 21 0.405 18.684 2.770 1.00 25.12 H new ATOM 0 HB2 ASN A 21 -0.697 16.474 0.996 1.00 12.34 H new ATOM 0 HB3 ASN A 21 -1.520 17.975 1.371 1.00 12.34 H new ATOM 0 HD21 ASN A 21 0.785 19.951 -0.748 1.00 52.24 H new ATOM 0 HD22 ASN A 21 0.240 20.003 0.932 1.00 52.24 H new ATOM 257 N ALA A 22 -1.623 17.544 4.153 1.00 65.53 N ATOM 258 CA ALA A 22 -2.375 16.992 5.274 1.00 51.24 C ATOM 259 C ALA A 22 -3.243 15.834 4.808 1.00 31.22 C ATOM 260 O ALA A 22 -4.379 16.023 4.356 1.00 5.13 O ATOM 261 CB ALA A 22 -3.260 18.037 5.931 1.00 62.52 C ATOM 0 H ALA A 22 -1.988 18.430 3.803 1.00 65.53 H new ATOM 0 HA ALA A 22 -1.647 16.644 6.007 1.00 51.24 H new ATOM 0 HB1 ALA A 22 -3.803 17.584 6.761 1.00 62.52 H new ATOM 0 HB2 ALA A 22 -2.643 18.854 6.304 1.00 62.52 H new ATOM 0 HB3 ALA A 22 -3.971 18.423 5.200 1.00 62.52 H new ATOM 267 N ASN A 23 -2.720 14.625 4.919 1.00 2.04 N ATOM 268 CA ASN A 23 -3.401 13.423 4.501 1.00 13.13 C ATOM 269 C ASN A 23 -2.976 12.287 5.432 1.00 44.45 C ATOM 270 O ASN A 23 -2.610 12.541 6.585 1.00 31.22 O ATOM 271 CB ASN A 23 -3.150 13.199 2.998 1.00 53.13 C ATOM 272 CG ASN A 23 -4.127 12.247 2.311 1.00 32.52 C ATOM 273 OD1 ASN A 23 -3.942 11.915 1.151 1.00 41.22 O ATOM 274 ND2 ASN A 23 -5.194 11.814 2.960 1.00 71.15 N ATOM 0 H ASN A 23 -1.793 14.454 5.310 1.00 2.04 H new ATOM 0 HA ASN A 23 -4.485 13.489 4.593 1.00 13.13 H new ATOM 0 HB2 ASN A 23 -3.190 14.163 2.491 1.00 53.13 H new ATOM 0 HB3 ASN A 23 -2.139 12.813 2.868 1.00 53.13 H new ATOM 0 HD21 ASN A 23 -5.863 11.203 2.492 1.00 71.15 H new ATOM 0 HD22 ASN A 23 -5.349 12.091 3.929 1.00 71.15 H new ATOM 280 N ASP A 24 -3.150 11.046 5.006 1.00 72.22 N ATOM 281 CA ASP A 24 -3.172 9.845 5.814 1.00 4.34 C ATOM 282 C ASP A 24 -2.849 8.762 4.818 1.00 32.41 C ATOM 283 O ASP A 24 -3.684 8.400 3.992 1.00 2.13 O ATOM 284 CB ASP A 24 -4.508 9.598 6.543 1.00 12.34 C ATOM 285 CG ASP A 24 -5.769 10.072 5.803 1.00 50.04 C ATOM 286 OD1 ASP A 24 -5.930 11.314 5.695 1.00 73.33 O ATOM 287 OD2 ASP A 24 -6.621 9.240 5.408 1.00 12.42 O ATOM 0 H ASP A 24 -3.289 10.841 4.016 1.00 72.22 H new ATOM 0 HA ASP A 24 -2.465 9.900 6.642 1.00 4.34 H new ATOM 0 HB2 ASP A 24 -4.603 8.530 6.737 1.00 12.34 H new ATOM 0 HB3 ASP A 24 -4.469 10.095 7.512 1.00 12.34 H new ATOM 291 N THR A 25 -1.594 8.340 4.852 1.00 41.23 N ATOM 292 CA THR A 25 -1.010 7.386 3.923 1.00 30.52 C ATOM 293 C THR A 25 0.043 6.627 4.725 1.00 62.43 C ATOM 294 O THR A 25 0.631 7.189 5.654 1.00 10.43 O ATOM 295 CB THR A 25 -0.363 8.107 2.714 1.00 72.31 C ATOM 296 OG1 THR A 25 -1.089 9.252 2.302 1.00 63.34 O ATOM 297 CG2 THR A 25 -0.223 7.194 1.494 1.00 32.10 C ATOM 0 H THR A 25 -0.930 8.665 5.554 1.00 41.23 H new ATOM 0 HA THR A 25 -1.766 6.718 3.512 1.00 30.52 H new ATOM 0 HB THR A 25 0.621 8.405 3.075 1.00 72.31 H new ATOM 0 HG1 THR A 25 -0.637 9.669 1.539 1.00 63.34 H new ATOM 0 HG21 THR A 25 0.236 7.748 0.675 1.00 32.10 H new ATOM 0 HG22 THR A 25 0.403 6.339 1.749 1.00 32.10 H new ATOM 0 HG23 THR A 25 -1.208 6.843 1.187 1.00 32.10 H new ATOM 305 N ILE A 26 0.291 5.366 4.390 1.00 74.05 N ATOM 306 CA ILE A 26 1.364 4.569 4.962 1.00 5.13 C ATOM 307 C ILE A 26 2.511 4.546 3.944 1.00 54.45 C ATOM 308 O ILE A 26 2.286 4.710 2.741 1.00 12.21 O ATOM 309 CB ILE A 26 0.782 3.192 5.334 1.00 24.30 C ATOM 310 CG1 ILE A 26 -0.099 3.297 6.595 1.00 64.44 C ATOM 311 CG2 ILE A 26 1.848 2.103 5.541 1.00 1.54 C ATOM 312 CD1 ILE A 26 -1.181 2.219 6.620 1.00 73.01 C ATOM 0 H ILE A 26 -0.262 4.860 3.698 1.00 74.05 H new ATOM 0 HA ILE A 26 1.780 4.976 5.884 1.00 5.13 H new ATOM 0 HB ILE A 26 0.180 2.886 4.478 1.00 24.30 H new ATOM 0 HG12 ILE A 26 0.526 3.206 7.484 1.00 64.44 H new ATOM 0 HG13 ILE A 26 -0.565 4.282 6.632 1.00 64.44 H new ATOM 0 HG21 ILE A 26 1.362 1.163 5.800 1.00 1.54 H new ATOM 0 HG22 ILE A 26 2.420 1.975 4.622 1.00 1.54 H new ATOM 0 HG23 ILE A 26 2.519 2.399 6.348 1.00 1.54 H new ATOM 0 HD11 ILE A 26 -1.781 2.326 7.524 1.00 73.01 H new ATOM 0 HD12 ILE A 26 -1.822 2.326 5.745 1.00 73.01 H new ATOM 0 HD13 ILE A 26 -0.714 1.234 6.609 1.00 73.01 H new ATOM 323 N ILE A 27 3.737 4.340 4.421 1.00 62.11 N ATOM 324 CA ILE A 27 4.941 4.233 3.607 1.00 1.24 C ATOM 325 C ILE A 27 5.661 2.954 4.057 1.00 70.01 C ATOM 326 O ILE A 27 5.333 2.383 5.099 1.00 11.41 O ATOM 327 CB ILE A 27 5.760 5.537 3.764 1.00 62.35 C ATOM 328 CG1 ILE A 27 6.805 5.803 2.660 1.00 41.23 C ATOM 329 CG2 ILE A 27 6.477 5.601 5.111 1.00 21.03 C ATOM 330 CD1 ILE A 27 6.200 6.528 1.461 1.00 62.13 C ATOM 0 H ILE A 27 3.923 4.240 5.419 1.00 62.11 H new ATOM 0 HA ILE A 27 4.748 4.140 2.538 1.00 1.24 H new ATOM 0 HB ILE A 27 4.998 6.312 3.684 1.00 62.35 H new ATOM 0 HG12 ILE A 27 7.621 6.398 3.069 1.00 41.23 H new ATOM 0 HG13 ILE A 27 7.235 4.856 2.332 1.00 41.23 H new ATOM 0 HG21 ILE A 27 7.040 6.532 5.180 1.00 21.03 H new ATOM 0 HG22 ILE A 27 5.743 5.560 5.916 1.00 21.03 H new ATOM 0 HG23 ILE A 27 7.160 4.756 5.200 1.00 21.03 H new ATOM 0 HD11 ILE A 27 6.971 6.694 0.709 1.00 62.13 H new ATOM 0 HD12 ILE A 27 5.402 5.921 1.034 1.00 62.13 H new ATOM 0 HD13 ILE A 27 5.794 7.487 1.783 1.00 62.13 H new ATOM 341 N LEU A 28 6.628 2.475 3.283 1.00 53.34 N ATOM 342 CA LEU A 28 7.450 1.324 3.637 1.00 3.51 C ATOM 343 C LEU A 28 8.904 1.740 3.483 1.00 44.25 C ATOM 344 O LEU A 28 9.207 2.653 2.716 1.00 73.03 O ATOM 345 CB LEU A 28 7.154 0.111 2.737 1.00 1.32 C ATOM 346 CG LEU A 28 5.755 -0.531 2.807 1.00 53.22 C ATOM 347 CD1 LEU A 28 5.384 -0.985 4.217 1.00 5.41 C ATOM 348 CD2 LEU A 28 4.620 0.343 2.266 1.00 50.42 C ATOM 0 H LEU A 28 6.867 2.881 2.378 1.00 53.34 H new ATOM 0 HA LEU A 28 7.229 1.021 4.660 1.00 3.51 H new ATOM 0 HB2 LEU A 28 7.329 0.413 1.705 1.00 1.32 H new ATOM 0 HB3 LEU A 28 7.886 -0.662 2.971 1.00 1.32 H new ATOM 0 HG LEU A 28 5.850 -1.395 2.150 1.00 53.22 H new ATOM 0 HD11 LEU A 28 4.389 -1.429 4.206 1.00 5.41 H new ATOM 0 HD12 LEU A 28 6.107 -1.723 4.564 1.00 5.41 H new ATOM 0 HD13 LEU A 28 5.391 -0.127 4.889 1.00 5.41 H new ATOM 0 HD21 LEU A 28 3.674 -0.192 2.356 1.00 50.42 H new ATOM 0 HD22 LEU A 28 4.569 1.269 2.838 1.00 50.42 H new ATOM 0 HD23 LEU A 28 4.807 0.574 1.217 1.00 50.42 H new ATOM 359 N ARG A 29 9.809 1.049 4.168 1.00 13.21 N ATOM 360 CA ARG A 29 11.251 1.258 4.115 1.00 45.41 C ATOM 361 C ARG A 29 11.922 -0.114 4.220 1.00 33.31 C ATOM 362 O ARG A 29 11.262 -1.085 4.614 1.00 65.14 O ATOM 363 CB ARG A 29 11.684 2.173 5.286 1.00 21.21 C ATOM 364 CG ARG A 29 11.366 3.670 5.117 1.00 42.34 C ATOM 365 CD ARG A 29 11.722 4.422 6.413 1.00 42.21 C ATOM 366 NE ARG A 29 11.967 5.853 6.183 1.00 45.24 N ATOM 367 CZ ARG A 29 12.240 6.772 7.117 1.00 2.13 C ATOM 368 NH1 ARG A 29 12.102 6.508 8.410 1.00 53.41 N ATOM 369 NH2 ARG A 29 12.690 7.966 6.752 1.00 33.24 N ATOM 0 H ARG A 29 9.546 0.295 4.803 1.00 13.21 H new ATOM 0 HA ARG A 29 11.544 1.743 3.184 1.00 45.41 H new ATOM 0 HB2 ARG A 29 11.202 1.819 6.197 1.00 21.21 H new ATOM 0 HB3 ARG A 29 12.759 2.063 5.431 1.00 21.21 H new ATOM 0 HG2 ARG A 29 11.931 4.080 4.280 1.00 42.34 H new ATOM 0 HG3 ARG A 29 10.309 3.804 4.885 1.00 42.34 H new ATOM 0 HD2 ARG A 29 10.910 4.306 7.131 1.00 42.21 H new ATOM 0 HD3 ARG A 29 12.609 3.972 6.859 1.00 42.21 H new ATOM 0 HE ARG A 29 11.925 6.177 5.217 1.00 45.24 H new ATOM 0 HH11 ARG A 29 11.781 5.588 8.711 1.00 53.41 H new ATOM 0 HH12 ARG A 29 12.316 7.225 9.103 1.00 53.41 H new ATOM 0 HH21 ARG A 29 12.826 8.180 5.764 1.00 33.24 H new ATOM 0 HH22 ARG A 29 12.900 8.670 7.460 1.00 33.24 H new ATOM 380 N ASN A 30 13.232 -0.167 3.967 1.00 1.51 N ATOM 381 CA ASN A 30 14.113 -1.329 4.142 1.00 73.02 C ATOM 382 C ASN A 30 13.775 -2.462 3.175 1.00 32.32 C ATOM 383 O ASN A 30 13.958 -3.634 3.492 1.00 61.12 O ATOM 384 CB ASN A 30 14.178 -1.797 5.612 1.00 54.44 C ATOM 385 CG ASN A 30 15.308 -2.809 5.843 1.00 50.21 C ATOM 386 OD1 ASN A 30 16.421 -2.670 5.342 1.00 42.44 O ATOM 387 ND2 ASN A 30 15.071 -3.859 6.602 1.00 23.43 N ATOM 0 H ASN A 30 13.737 0.646 3.614 1.00 1.51 H new ATOM 0 HA ASN A 30 15.120 -1.001 3.884 1.00 73.02 H new ATOM 0 HB2 ASN A 30 14.326 -0.934 6.261 1.00 54.44 H new ATOM 0 HB3 ASN A 30 13.225 -2.247 5.892 1.00 54.44 H new ATOM 0 HD21 ASN A 30 15.807 -4.545 6.768 1.00 23.43 H new ATOM 0 HD22 ASN A 30 14.151 -3.986 7.024 1.00 23.43 H new ATOM 393 N LEU A 31 13.270 -2.137 1.985 1.00 63.43 N ATOM 394 CA LEU A 31 12.985 -3.133 0.952 1.00 43.14 C ATOM 395 C LEU A 31 14.240 -3.351 0.109 1.00 22.33 C ATOM 396 O LEU A 31 15.131 -2.501 0.107 1.00 64.12 O ATOM 397 CB LEU A 31 11.801 -2.656 0.088 1.00 31.01 C ATOM 398 CG LEU A 31 10.514 -2.465 0.913 1.00 2.23 C ATOM 399 CD1 LEU A 31 9.453 -1.690 0.144 1.00 14.32 C ATOM 400 CD2 LEU A 31 9.933 -3.810 1.323 1.00 43.23 C ATOM 0 H LEU A 31 13.048 -1.180 1.711 1.00 63.43 H new ATOM 0 HA LEU A 31 12.707 -4.083 1.408 1.00 43.14 H new ATOM 0 HB2 LEU A 31 12.063 -1.715 -0.395 1.00 31.01 H new ATOM 0 HB3 LEU A 31 11.617 -3.381 -0.705 1.00 31.01 H new ATOM 0 HG LEU A 31 10.793 -1.893 1.798 1.00 2.23 H new ATOM 0 HD11 LEU A 31 8.563 -1.579 0.764 1.00 14.32 H new ATOM 0 HD12 LEU A 31 9.839 -0.705 -0.116 1.00 14.32 H new ATOM 0 HD13 LEU A 31 9.196 -2.231 -0.767 1.00 14.32 H new ATOM 0 HD21 LEU A 31 9.025 -3.652 1.905 1.00 43.23 H new ATOM 0 HD22 LEU A 31 9.697 -4.391 0.432 1.00 43.23 H new ATOM 0 HD23 LEU A 31 10.661 -4.352 1.927 1.00 43.23 H new ATOM 411 N ASN A 32 14.317 -4.465 -0.625 1.00 21.21 N ATOM 412 CA ASN A 32 15.363 -4.672 -1.633 1.00 11.10 C ATOM 413 C ASN A 32 14.907 -4.167 -3.004 1.00 64.42 C ATOM 414 O ASN A 32 13.694 -4.088 -3.241 1.00 23.44 O ATOM 415 CB ASN A 32 15.754 -6.164 -1.705 1.00 64.12 C ATOM 416 CG ASN A 32 17.257 -6.380 -1.544 1.00 65.23 C ATOM 417 OD1 ASN A 32 17.941 -5.675 -0.808 1.00 1.10 O ATOM 418 ND2 ASN A 32 17.821 -7.315 -2.276 1.00 51.11 N ATOM 0 H ASN A 32 13.663 -5.243 -0.539 1.00 21.21 H new ATOM 0 HA ASN A 32 16.241 -4.098 -1.337 1.00 11.10 H new ATOM 0 HB2 ASN A 32 15.225 -6.713 -0.926 1.00 64.12 H new ATOM 0 HB3 ASN A 32 15.431 -6.576 -2.661 1.00 64.12 H new ATOM 0 HD21 ASN A 32 18.830 -7.457 -2.233 1.00 51.11 H new ATOM 0 HD22 ASN A 32 17.249 -7.899 -2.886 1.00 51.11 H new ATOM 424 N PRO A 33 15.825 -3.937 -3.966 1.00 4.13 N ATOM 425 CA PRO A 33 15.459 -3.643 -5.349 1.00 71.11 C ATOM 426 C PRO A 33 14.613 -4.760 -5.972 1.00 72.12 C ATOM 427 O PRO A 33 13.793 -4.472 -6.839 1.00 45.41 O ATOM 428 CB PRO A 33 16.777 -3.440 -6.102 1.00 24.20 C ATOM 429 CG PRO A 33 17.816 -4.137 -5.247 1.00 21.32 C ATOM 430 CD PRO A 33 17.279 -3.943 -3.845 1.00 12.12 C ATOM 0 HA PRO A 33 14.834 -2.752 -5.404 1.00 71.11 H new ATOM 0 HB2 PRO A 33 16.733 -3.871 -7.102 1.00 24.20 H new ATOM 0 HB3 PRO A 33 17.007 -2.381 -6.221 1.00 24.20 H new ATOM 0 HG2 PRO A 33 17.909 -5.193 -5.503 1.00 21.32 H new ATOM 0 HG3 PRO A 33 18.804 -3.692 -5.367 1.00 21.32 H new ATOM 0 HD2 PRO A 33 17.612 -4.745 -3.186 1.00 12.12 H new ATOM 0 HD3 PRO A 33 17.638 -3.008 -3.416 1.00 12.12 H new ATOM 435 N HIS A 34 14.786 -5.996 -5.491 1.00 31.33 N ATOM 436 CA HIS A 34 14.159 -7.222 -5.968 1.00 32.24 C ATOM 437 C HIS A 34 12.917 -7.657 -5.173 1.00 70.13 C ATOM 438 O HIS A 34 12.354 -8.702 -5.505 1.00 4.35 O ATOM 439 CB HIS A 34 15.225 -8.336 -5.934 1.00 65.11 C ATOM 440 CG HIS A 34 15.942 -8.485 -7.243 1.00 43.50 C ATOM 441 ND1 HIS A 34 15.399 -9.046 -8.374 1.00 65.24 N ATOM 442 CD2 HIS A 34 17.215 -8.075 -7.532 1.00 43.50 C ATOM 443 CE1 HIS A 34 16.324 -8.964 -9.343 1.00 64.24 C ATOM 444 NE2 HIS A 34 17.446 -8.392 -8.876 1.00 65.44 N ATOM 0 H HIS A 34 15.411 -6.172 -4.705 1.00 31.33 H new ATOM 0 HA HIS A 34 13.794 -7.031 -6.977 1.00 32.24 H new ATOM 0 HB2 HIS A 34 15.949 -8.117 -5.149 1.00 65.11 H new ATOM 0 HB3 HIS A 34 14.749 -9.282 -5.674 1.00 65.11 H new ATOM 0 HD2 HIS A 34 17.908 -7.599 -6.854 1.00 43.50 H new ATOM 0 HE1 HIS A 34 16.186 -9.310 -10.357 1.00 64.24 H new ATOM 0 HE2 HIS A 34 18.304 -8.221 -9.401 1.00 65.44 H new ATOM 451 N SER A 35 12.495 -6.936 -4.121 1.00 61.42 N ATOM 452 CA SER A 35 11.306 -7.312 -3.372 1.00 22.13 C ATOM 453 C SER A 35 10.056 -7.161 -4.242 1.00 13.41 C ATOM 454 O SER A 35 10.082 -6.486 -5.276 1.00 13.35 O ATOM 455 CB SER A 35 11.167 -6.485 -2.094 1.00 24.25 C ATOM 456 OG SER A 35 12.353 -6.533 -1.316 1.00 11.52 O ATOM 0 H SER A 35 12.963 -6.096 -3.779 1.00 61.42 H new ATOM 0 HA SER A 35 11.411 -8.358 -3.084 1.00 22.13 H new ATOM 0 HB2 SER A 35 10.940 -5.450 -2.351 1.00 24.25 H new ATOM 0 HB3 SER A 35 10.329 -6.859 -1.506 1.00 24.25 H new ATOM 0 HG SER A 35 12.126 -6.438 -0.367 1.00 11.52 H new ATOM 461 N THR A 36 8.949 -7.709 -3.758 1.00 13.34 N ATOM 462 CA THR A 36 7.637 -7.617 -4.384 1.00 3.32 C ATOM 463 C THR A 36 6.582 -7.015 -3.456 1.00 4.52 C ATOM 464 O THR A 36 6.837 -6.641 -2.304 1.00 70.04 O ATOM 465 CB THR A 36 7.202 -8.981 -4.950 1.00 21.04 C ATOM 466 OG1 THR A 36 7.223 -10.029 -3.998 1.00 43.21 O ATOM 467 CG2 THR A 36 8.061 -9.364 -6.146 1.00 65.10 C ATOM 0 H THR A 36 8.940 -8.247 -2.891 1.00 13.34 H new ATOM 0 HA THR A 36 7.727 -6.923 -5.220 1.00 3.32 H new ATOM 0 HB THR A 36 6.164 -8.853 -5.256 1.00 21.04 H new ATOM 0 HG1 THR A 36 6.935 -10.863 -4.424 1.00 43.21 H new ATOM 0 HG21 THR A 36 7.738 -10.331 -6.531 1.00 65.10 H new ATOM 0 HG22 THR A 36 7.957 -8.609 -6.926 1.00 65.10 H new ATOM 0 HG23 THR A 36 9.105 -9.426 -5.839 1.00 65.10 H new ATOM 475 N MET A 37 5.372 -6.888 -3.994 1.00 12.32 N ATOM 476 CA MET A 37 4.203 -6.420 -3.280 1.00 73.23 C ATOM 477 C MET A 37 3.582 -7.530 -2.411 1.00 44.42 C ATOM 478 O MET A 37 2.805 -7.238 -1.504 1.00 14.34 O ATOM 479 CB MET A 37 3.238 -5.857 -4.337 1.00 43.54 C ATOM 480 CG MET A 37 2.210 -6.861 -4.877 1.00 52.43 C ATOM 481 SD MET A 37 1.359 -6.345 -6.391 1.00 32.35 S ATOM 482 CE MET A 37 0.832 -4.682 -5.922 1.00 30.42 C ATOM 0 H MET A 37 5.179 -7.117 -4.969 1.00 12.32 H new ATOM 0 HA MET A 37 4.461 -5.636 -2.567 1.00 73.23 H new ATOM 0 HB2 MET A 37 2.704 -5.010 -3.906 1.00 43.54 H new ATOM 0 HB3 MET A 37 3.823 -5.473 -5.173 1.00 43.54 H new ATOM 0 HG2 MET A 37 2.715 -7.808 -5.067 1.00 52.43 H new ATOM 0 HG3 MET A 37 1.464 -7.046 -4.104 1.00 52.43 H new ATOM 0 HE1 MET A 37 0.144 -4.293 -6.673 1.00 30.42 H new ATOM 0 HE2 MET A 37 0.331 -4.718 -4.955 1.00 30.42 H new ATOM 0 HE3 MET A 37 1.703 -4.030 -5.855 1.00 30.42 H new ATOM 490 N ASP A 38 3.883 -8.806 -2.679 1.00 65.31 N ATOM 491 CA ASP A 38 3.094 -9.904 -2.112 1.00 30.31 C ATOM 492 C ASP A 38 3.450 -10.217 -0.660 1.00 30.21 C ATOM 493 O ASP A 38 2.633 -10.783 0.060 1.00 62.22 O ATOM 494 CB ASP A 38 3.139 -11.161 -2.993 1.00 34.42 C ATOM 495 CG ASP A 38 1.728 -11.432 -3.521 1.00 52.24 C ATOM 496 OD1 ASP A 38 1.302 -10.718 -4.452 1.00 42.34 O ATOM 497 OD2 ASP A 38 1.000 -12.274 -2.946 1.00 12.42 O ATOM 0 H ASP A 38 4.656 -9.100 -3.276 1.00 65.31 H new ATOM 0 HA ASP A 38 2.063 -9.550 -2.099 1.00 30.31 H new ATOM 0 HB2 ASP A 38 3.833 -11.019 -3.821 1.00 34.42 H new ATOM 0 HB3 ASP A 38 3.499 -12.014 -2.418 1.00 34.42 H new ATOM 501 N SER A 39 4.605 -9.771 -0.166 1.00 24.15 N ATOM 502 CA SER A 39 4.881 -9.698 1.270 1.00 41.51 C ATOM 503 C SER A 39 3.833 -8.873 2.027 1.00 34.31 C ATOM 504 O SER A 39 3.621 -9.099 3.214 1.00 50.42 O ATOM 505 CB SER A 39 6.291 -9.133 1.499 1.00 23.23 C ATOM 506 OG SER A 39 6.622 -8.128 0.552 1.00 74.01 O ATOM 0 H SER A 39 5.377 -9.450 -0.750 1.00 24.15 H new ATOM 0 HA SER A 39 4.827 -10.710 1.670 1.00 41.51 H new ATOM 0 HB2 SER A 39 6.356 -8.719 2.505 1.00 23.23 H new ATOM 0 HB3 SER A 39 7.020 -9.941 1.439 1.00 23.23 H new ATOM 0 HG SER A 39 7.525 -7.793 0.732 1.00 74.01 H new ATOM 511 N ILE A 40 3.165 -7.925 1.372 1.00 24.13 N ATOM 512 CA ILE A 40 2.125 -7.117 1.987 1.00 32.02 C ATOM 513 C ILE A 40 0.805 -7.869 1.788 1.00 5.34 C ATOM 514 O ILE A 40 0.108 -8.193 2.754 1.00 51.14 O ATOM 515 CB ILE A 40 2.162 -5.686 1.402 1.00 42.22 C ATOM 516 CG1 ILE A 40 3.554 -5.028 1.591 1.00 51.31 C ATOM 517 CG2 ILE A 40 1.112 -4.798 2.077 1.00 41.34 C ATOM 518 CD1 ILE A 40 4.511 -5.197 0.404 1.00 61.41 C ATOM 0 H ILE A 40 3.335 -7.698 0.392 1.00 24.13 H new ATOM 0 HA ILE A 40 2.266 -6.977 3.059 1.00 32.02 H new ATOM 0 HB ILE A 40 1.949 -5.775 0.337 1.00 42.22 H new ATOM 0 HG12 ILE A 40 3.415 -3.963 1.779 1.00 51.31 H new ATOM 0 HG13 ILE A 40 4.022 -5.450 2.480 1.00 51.31 H new ATOM 0 HG21 ILE A 40 1.155 -3.796 1.651 1.00 41.34 H new ATOM 0 HG22 ILE A 40 0.120 -5.219 1.914 1.00 41.34 H new ATOM 0 HG23 ILE A 40 1.313 -4.746 3.147 1.00 41.34 H new ATOM 0 HD11 ILE A 40 5.458 -4.705 0.627 1.00 61.41 H new ATOM 0 HD12 ILE A 40 4.687 -6.258 0.226 1.00 61.41 H new ATOM 0 HD13 ILE A 40 4.070 -4.748 -0.486 1.00 61.41 H new ATOM 529 N LEU A 41 0.481 -8.220 0.541 1.00 5.21 N ATOM 530 CA LEU A 41 -0.759 -8.920 0.197 1.00 71.23 C ATOM 531 C LEU A 41 -0.840 -10.349 0.759 1.00 70.34 C ATOM 532 O LEU A 41 -1.857 -11.017 0.577 1.00 10.54 O ATOM 533 CB LEU A 41 -0.986 -8.911 -1.323 1.00 10.25 C ATOM 534 CG LEU A 41 -1.060 -7.501 -1.941 1.00 71.11 C ATOM 535 CD1 LEU A 41 -1.244 -7.633 -3.449 1.00 5.33 C ATOM 536 CD2 LEU A 41 -2.213 -6.650 -1.388 1.00 21.05 C ATOM 0 H LEU A 41 1.076 -8.025 -0.264 1.00 5.21 H new ATOM 0 HA LEU A 41 -1.563 -8.365 0.681 1.00 71.23 H new ATOM 0 HB2 LEU A 41 -0.179 -9.464 -1.803 1.00 10.25 H new ATOM 0 HB3 LEU A 41 -1.912 -9.442 -1.544 1.00 10.25 H new ATOM 0 HG LEU A 41 -0.129 -6.995 -1.683 1.00 71.11 H new ATOM 0 HD11 LEU A 41 -1.298 -6.641 -3.897 1.00 5.33 H new ATOM 0 HD12 LEU A 41 -0.400 -8.177 -3.872 1.00 5.33 H new ATOM 0 HD13 LEU A 41 -2.166 -8.175 -3.657 1.00 5.33 H new ATOM 0 HD21 LEU A 41 -2.205 -5.671 -1.867 1.00 21.05 H new ATOM 0 HD22 LEU A 41 -3.162 -7.146 -1.592 1.00 21.05 H new ATOM 0 HD23 LEU A 41 -2.092 -6.528 -0.312 1.00 21.05 H new ATOM 547 N GLY A 42 0.194 -10.825 1.449 1.00 25.44 N ATOM 548 CA GLY A 42 0.254 -12.107 2.129 1.00 71.11 C ATOM 549 C GLY A 42 0.893 -12.010 3.511 1.00 23.31 C ATOM 550 O GLY A 42 1.484 -12.994 3.953 1.00 51.24 O ATOM 0 H GLY A 42 1.058 -10.293 1.551 1.00 25.44 H new ATOM 0 HA2 GLY A 42 -0.754 -12.510 2.227 1.00 71.11 H new ATOM 0 HA3 GLY A 42 0.821 -12.811 1.520 1.00 71.11 H new ATOM 554 N ALA A 43 0.780 -10.867 4.199 1.00 25.02 N ATOM 555 CA ALA A 43 0.949 -10.825 5.654 1.00 30.05 C ATOM 556 C ALA A 43 -0.224 -10.163 6.372 1.00 3.25 C ATOM 557 O ALA A 43 -0.360 -10.379 7.580 1.00 51.54 O ATOM 558 CB ALA A 43 2.253 -10.123 6.041 1.00 32.02 C ATOM 0 H ALA A 43 0.573 -9.964 3.773 1.00 25.02 H new ATOM 0 HA ALA A 43 0.987 -11.865 5.979 1.00 30.05 H new ATOM 0 HB1 ALA A 43 2.350 -10.108 7.127 1.00 32.02 H new ATOM 0 HB2 ALA A 43 3.097 -10.660 5.609 1.00 32.02 H new ATOM 0 HB3 ALA A 43 2.242 -9.101 5.663 1.00 32.02 H new ATOM 564 N LEU A 44 -1.029 -9.338 5.685 1.00 22.02 N ATOM 565 CA LEU A 44 -2.075 -8.547 6.337 1.00 64.40 C ATOM 566 C LEU A 44 -3.466 -8.932 5.843 1.00 71.30 C ATOM 567 O LEU A 44 -4.437 -8.313 6.271 1.00 44.20 O ATOM 568 CB LEU A 44 -1.878 -7.029 6.146 1.00 70.21 C ATOM 569 CG LEU A 44 -0.524 -6.376 6.482 1.00 54.32 C ATOM 570 CD1 LEU A 44 0.120 -6.919 7.754 1.00 25.44 C ATOM 571 CD2 LEU A 44 0.488 -6.465 5.340 1.00 74.22 C ATOM 0 H LEU A 44 -0.972 -9.204 4.675 1.00 22.02 H new ATOM 0 HA LEU A 44 -1.992 -8.775 7.400 1.00 64.40 H new ATOM 0 HB2 LEU A 44 -2.096 -6.804 5.102 1.00 70.21 H new ATOM 0 HB3 LEU A 44 -2.637 -6.526 6.746 1.00 70.21 H new ATOM 0 HG LEU A 44 -0.780 -5.329 6.646 1.00 54.32 H new ATOM 0 HD11 LEU A 44 1.070 -6.412 7.926 1.00 25.44 H new ATOM 0 HD12 LEU A 44 -0.543 -6.744 8.601 1.00 25.44 H new ATOM 0 HD13 LEU A 44 0.295 -7.989 7.645 1.00 25.44 H new ATOM 0 HD21 LEU A 44 1.420 -5.986 5.641 1.00 74.22 H new ATOM 0 HD22 LEU A 44 0.678 -7.512 5.103 1.00 74.22 H new ATOM 0 HD23 LEU A 44 0.089 -5.960 4.460 1.00 74.22 H new ATOM 582 N ALA A 45 -3.593 -9.917 4.946 1.00 65.11 N ATOM 583 CA ALA A 45 -4.859 -10.246 4.300 1.00 3.11 C ATOM 584 C ALA A 45 -6.004 -10.459 5.303 1.00 21.24 C ATOM 585 O ALA A 45 -7.022 -9.783 5.154 1.00 62.13 O ATOM 586 CB ALA A 45 -4.694 -11.416 3.322 1.00 12.52 C ATOM 0 H ALA A 45 -2.815 -10.507 4.650 1.00 65.11 H new ATOM 0 HA ALA A 45 -5.155 -9.377 3.712 1.00 3.11 H new ATOM 0 HB1 ALA A 45 -5.654 -11.639 2.856 1.00 12.52 H new ATOM 0 HB2 ALA A 45 -3.970 -11.148 2.552 1.00 12.52 H new ATOM 0 HB3 ALA A 45 -4.341 -12.294 3.862 1.00 12.52 H new ATOM 592 N PRO A 46 -5.884 -11.301 6.351 1.00 52.40 N ATOM 593 CA PRO A 46 -6.982 -11.489 7.291 1.00 33.22 C ATOM 594 C PRO A 46 -7.234 -10.286 8.206 1.00 70.13 C ATOM 595 O PRO A 46 -8.216 -10.307 8.953 1.00 64.40 O ATOM 596 CB PRO A 46 -6.613 -12.732 8.110 1.00 31.21 C ATOM 597 CG PRO A 46 -5.088 -12.735 8.081 1.00 61.24 C ATOM 598 CD PRO A 46 -4.771 -12.181 6.697 1.00 45.23 C ATOM 0 HA PRO A 46 -7.917 -11.606 6.743 1.00 33.22 H new ATOM 0 HB2 PRO A 46 -6.995 -12.670 9.129 1.00 31.21 H new ATOM 0 HB3 PRO A 46 -7.025 -13.640 7.670 1.00 31.21 H new ATOM 0 HG2 PRO A 46 -4.668 -12.112 8.871 1.00 61.24 H new ATOM 0 HG3 PRO A 46 -4.684 -13.738 8.217 1.00 61.24 H new ATOM 0 HD2 PRO A 46 -3.828 -11.634 6.702 1.00 45.23 H new ATOM 0 HD3 PRO A 46 -4.669 -12.986 5.969 1.00 45.23 H new ATOM 603 N TYR A 47 -6.385 -9.260 8.181 1.00 45.51 N ATOM 604 CA TYR A 47 -6.440 -8.092 9.056 1.00 45.21 C ATOM 605 C TYR A 47 -6.830 -6.834 8.284 1.00 53.43 C ATOM 606 O TYR A 47 -6.830 -5.749 8.872 1.00 63.23 O ATOM 607 CB TYR A 47 -5.074 -7.911 9.742 1.00 25.31 C ATOM 608 CG TYR A 47 -4.515 -9.175 10.370 1.00 62.22 C ATOM 609 CD1 TYR A 47 -5.365 -9.997 11.125 1.00 22.24 C ATOM 610 CD2 TYR A 47 -3.180 -9.566 10.149 1.00 24.14 C ATOM 611 CE1 TYR A 47 -4.910 -11.230 11.611 1.00 24.04 C ATOM 612 CE2 TYR A 47 -2.708 -10.790 10.662 1.00 52.13 C ATOM 613 CZ TYR A 47 -3.577 -11.635 11.388 1.00 72.01 C ATOM 614 OH TYR A 47 -3.142 -12.841 11.849 1.00 73.23 O ATOM 0 H TYR A 47 -5.607 -9.219 7.522 1.00 45.51 H new ATOM 0 HA TYR A 47 -7.208 -8.255 9.812 1.00 45.21 H new ATOM 0 HB2 TYR A 47 -4.359 -7.538 9.008 1.00 25.31 H new ATOM 0 HB3 TYR A 47 -5.167 -7.147 10.514 1.00 25.31 H new ATOM 0 HD1 TYR A 47 -6.376 -9.678 11.333 1.00 22.24 H new ATOM 0 HD2 TYR A 47 -2.517 -8.926 9.585 1.00 24.14 H new ATOM 0 HE1 TYR A 47 -5.583 -11.873 12.159 1.00 24.04 H new ATOM 0 HE2 TYR A 47 -1.681 -11.083 10.500 1.00 52.13 H new ATOM 0 HH TYR A 47 -2.200 -12.963 11.608 1.00 73.23 H new ATOM 623 N ALA A 48 -7.138 -6.970 6.992 1.00 54.43 N ATOM 624 CA ALA A 48 -7.408 -5.859 6.088 1.00 51.41 C ATOM 625 C ALA A 48 -8.557 -6.195 5.130 1.00 25.32 C ATOM 626 O ALA A 48 -9.076 -7.312 5.160 1.00 74.13 O ATOM 627 CB ALA A 48 -6.120 -5.505 5.335 1.00 11.51 C ATOM 0 H ALA A 48 -7.207 -7.881 6.538 1.00 54.43 H new ATOM 0 HA ALA A 48 -7.728 -4.989 6.662 1.00 51.41 H new ATOM 0 HB1 ALA A 48 -6.312 -4.674 4.656 1.00 11.51 H new ATOM 0 HB2 ALA A 48 -5.348 -5.219 6.049 1.00 11.51 H new ATOM 0 HB3 ALA A 48 -5.783 -6.370 4.764 1.00 11.51 H new ATOM 633 N VAL A 49 -8.980 -5.242 4.294 1.00 30.43 N ATOM 634 CA VAL A 49 -9.907 -5.469 3.191 1.00 42.51 C ATOM 635 C VAL A 49 -9.529 -4.560 2.012 1.00 33.15 C ATOM 636 O VAL A 49 -10.181 -3.578 1.687 1.00 64.01 O ATOM 637 CB VAL A 49 -11.360 -5.391 3.688 1.00 4.15 C ATOM 638 CG1 VAL A 49 -11.783 -4.027 4.234 1.00 34.21 C ATOM 639 CG2 VAL A 49 -12.305 -5.887 2.592 1.00 30.12 C ATOM 0 H VAL A 49 -8.678 -4.271 4.371 1.00 30.43 H new ATOM 0 HA VAL A 49 -9.827 -6.482 2.795 1.00 42.51 H new ATOM 0 HB VAL A 49 -11.424 -6.048 4.555 1.00 4.15 H new ATOM 0 HG11 VAL A 49 -12.822 -4.072 4.559 1.00 34.21 H new ATOM 0 HG12 VAL A 49 -11.149 -3.761 5.080 1.00 34.21 H new ATOM 0 HG13 VAL A 49 -11.680 -3.274 3.452 1.00 34.21 H new ATOM 0 HG21 VAL A 49 -13.334 -5.831 2.946 1.00 30.12 H new ATOM 0 HG22 VAL A 49 -12.192 -5.264 1.705 1.00 30.12 H new ATOM 0 HG23 VAL A 49 -12.063 -6.920 2.343 1.00 30.12 H new ATOM 649 N LEU A 50 -8.423 -4.891 1.353 1.00 43.53 N ATOM 650 CA LEU A 50 -7.795 -4.053 0.325 1.00 4.51 C ATOM 651 C LEU A 50 -7.137 -4.938 -0.732 1.00 64.04 C ATOM 652 O LEU A 50 -7.349 -6.155 -0.689 1.00 53.51 O ATOM 653 CB LEU A 50 -6.853 -3.044 0.999 1.00 53.41 C ATOM 654 CG LEU A 50 -5.728 -3.589 1.894 1.00 52.31 C ATOM 655 CD1 LEU A 50 -4.602 -4.276 1.114 1.00 30.03 C ATOM 656 CD2 LEU A 50 -5.155 -2.412 2.691 1.00 74.41 C ATOM 0 H LEU A 50 -7.925 -5.766 1.518 1.00 43.53 H new ATOM 0 HA LEU A 50 -8.535 -3.460 -0.212 1.00 4.51 H new ATOM 0 HB2 LEU A 50 -6.393 -2.442 0.215 1.00 53.41 H new ATOM 0 HB3 LEU A 50 -7.462 -2.371 1.602 1.00 53.41 H new ATOM 0 HG LEU A 50 -6.156 -4.354 2.542 1.00 52.31 H new ATOM 0 HD11 LEU A 50 -3.844 -4.635 1.810 1.00 30.03 H new ATOM 0 HD12 LEU A 50 -5.009 -5.118 0.554 1.00 30.03 H new ATOM 0 HD13 LEU A 50 -4.151 -3.564 0.423 1.00 30.03 H new ATOM 0 HD21 LEU A 50 -4.352 -2.767 3.338 1.00 74.41 H new ATOM 0 HD22 LEU A 50 -4.763 -1.663 2.003 1.00 74.41 H new ATOM 0 HD23 LEU A 50 -5.942 -1.968 3.300 1.00 74.41 H new ATOM 667 N SER A 51 -6.405 -4.394 -1.709 1.00 70.33 N ATOM 668 CA SER A 51 -5.704 -5.217 -2.696 1.00 42.12 C ATOM 669 C SER A 51 -4.527 -4.452 -3.316 1.00 4.53 C ATOM 670 O SER A 51 -4.080 -3.426 -2.797 1.00 25.11 O ATOM 671 CB SER A 51 -6.699 -5.728 -3.760 1.00 45.30 C ATOM 672 OG SER A 51 -6.194 -6.903 -4.373 1.00 22.13 O ATOM 0 H SER A 51 -6.283 -3.389 -1.836 1.00 70.33 H new ATOM 0 HA SER A 51 -5.279 -6.087 -2.196 1.00 42.12 H new ATOM 0 HB2 SER A 51 -7.664 -5.935 -3.297 1.00 45.30 H new ATOM 0 HB3 SER A 51 -6.866 -4.958 -4.513 1.00 45.30 H new ATOM 0 HG SER A 51 -6.832 -7.221 -5.045 1.00 22.13 H new ATOM 677 N SER A 52 -4.021 -4.965 -4.439 1.00 12.53 N ATOM 678 CA SER A 52 -2.914 -4.460 -5.236 1.00 54.30 C ATOM 679 C SER A 52 -3.096 -3.017 -5.723 1.00 54.10 C ATOM 680 O SER A 52 -2.121 -2.415 -6.163 1.00 51.44 O ATOM 681 CB SER A 52 -2.700 -5.425 -6.412 1.00 30.32 C ATOM 682 OG SER A 52 -3.932 -5.764 -7.031 1.00 14.25 O ATOM 0 H SER A 52 -4.412 -5.816 -4.844 1.00 12.53 H new ATOM 0 HA SER A 52 -2.031 -4.419 -4.598 1.00 54.30 H new ATOM 0 HB2 SER A 52 -2.036 -4.967 -7.145 1.00 30.32 H new ATOM 0 HB3 SER A 52 -2.207 -6.330 -6.057 1.00 30.32 H new ATOM 0 HG SER A 52 -3.765 -6.378 -7.777 1.00 14.25 H new ATOM 687 N SER A 53 -4.285 -2.416 -5.610 1.00 33.24 N ATOM 688 CA SER A 53 -4.426 -0.974 -5.752 1.00 11.43 C ATOM 689 C SER A 53 -3.563 -0.256 -4.713 1.00 32.25 C ATOM 690 O SER A 53 -2.678 0.520 -5.076 1.00 73.32 O ATOM 691 CB SER A 53 -5.893 -0.577 -5.619 1.00 41.11 C ATOM 692 OG SER A 53 -6.546 -0.749 -6.861 1.00 53.41 O ATOM 0 H SER A 53 -5.158 -2.909 -5.421 1.00 33.24 H new ATOM 0 HA SER A 53 -4.082 -0.675 -6.742 1.00 11.43 H new ATOM 0 HB2 SER A 53 -6.377 -1.186 -4.855 1.00 41.11 H new ATOM 0 HB3 SER A 53 -5.971 0.461 -5.296 1.00 41.11 H new ATOM 0 HG SER A 53 -7.488 -0.495 -6.773 1.00 53.41 H new ATOM 697 N ASN A 54 -3.834 -0.525 -3.436 1.00 51.13 N ATOM 698 CA ASN A 54 -3.356 0.227 -2.283 1.00 32.34 C ATOM 699 C ASN A 54 -1.844 0.132 -2.189 1.00 25.05 C ATOM 700 O ASN A 54 -1.161 1.129 -1.976 1.00 32.25 O ATOM 701 CB ASN A 54 -3.965 -0.340 -0.993 1.00 61.12 C ATOM 702 CG ASN A 54 -5.481 -0.376 -1.054 1.00 65.13 C ATOM 703 OD1 ASN A 54 -6.037 -1.192 -1.792 1.00 23.33 O ATOM 704 ND2 ASN A 54 -6.149 0.457 -0.287 1.00 1.33 N ATOM 0 H ASN A 54 -4.423 -1.314 -3.168 1.00 51.13 H new ATOM 0 HA ASN A 54 -3.654 1.268 -2.405 1.00 32.34 H new ATOM 0 HB2 ASN A 54 -3.584 -1.347 -0.823 1.00 61.12 H new ATOM 0 HB3 ASN A 54 -3.650 0.267 -0.145 1.00 61.12 H new ATOM 0 HD21 ASN A 54 -7.169 0.444 -0.287 1.00 1.33 H new ATOM 0 HD22 ASN A 54 -5.647 1.116 0.308 1.00 1.33 H new ATOM 710 N VAL A 55 -1.338 -1.099 -2.296 1.00 34.45 N ATOM 711 CA VAL A 55 0.050 -1.488 -2.106 1.00 14.42 C ATOM 712 C VAL A 55 0.838 -1.048 -3.334 1.00 50.11 C ATOM 713 O VAL A 55 0.932 -1.780 -4.320 1.00 22.35 O ATOM 714 CB VAL A 55 0.104 -3.009 -1.846 1.00 4.14 C ATOM 715 CG1 VAL A 55 1.532 -3.514 -1.602 1.00 70.34 C ATOM 716 CG2 VAL A 55 -0.740 -3.352 -0.613 1.00 31.11 C ATOM 0 H VAL A 55 -1.929 -1.896 -2.533 1.00 34.45 H new ATOM 0 HA VAL A 55 0.504 -1.005 -1.241 1.00 14.42 H new ATOM 0 HB VAL A 55 -0.285 -3.495 -2.741 1.00 4.14 H new ATOM 0 HG11 VAL A 55 1.512 -4.589 -1.425 1.00 70.34 H new ATOM 0 HG12 VAL A 55 2.147 -3.302 -2.476 1.00 70.34 H new ATOM 0 HG13 VAL A 55 1.952 -3.010 -0.731 1.00 70.34 H new ATOM 0 HG21 VAL A 55 -0.700 -4.426 -0.432 1.00 31.11 H new ATOM 0 HG22 VAL A 55 -0.347 -2.823 0.255 1.00 31.11 H new ATOM 0 HG23 VAL A 55 -1.774 -3.051 -0.784 1.00 31.11 H new ATOM 726 N ARG A 56 1.388 0.163 -3.300 1.00 3.42 N ATOM 727 CA ARG A 56 1.923 0.830 -4.482 1.00 63.04 C ATOM 728 C ARG A 56 3.410 1.065 -4.347 1.00 24.44 C ATOM 729 O ARG A 56 3.842 1.904 -3.559 1.00 13.22 O ATOM 730 CB ARG A 56 1.156 2.138 -4.743 1.00 44.23 C ATOM 731 CG ARG A 56 1.120 2.475 -6.239 1.00 53.22 C ATOM 732 CD ARG A 56 0.256 1.441 -6.978 1.00 30.11 C ATOM 733 NE ARG A 56 -0.393 1.947 -8.196 1.00 44.10 N ATOM 734 CZ ARG A 56 -1.491 1.402 -8.742 1.00 34.45 C ATOM 735 NH1 ARG A 56 -2.202 0.493 -8.081 1.00 24.12 N ATOM 736 NH2 ARG A 56 -1.883 1.772 -9.954 1.00 32.33 N ATOM 0 H ARG A 56 1.475 0.712 -2.445 1.00 3.42 H new ATOM 0 HA ARG A 56 1.783 0.181 -5.346 1.00 63.04 H new ATOM 0 HB2 ARG A 56 0.138 2.047 -4.364 1.00 44.23 H new ATOM 0 HB3 ARG A 56 1.628 2.954 -4.196 1.00 44.23 H new ATOM 0 HG2 ARG A 56 0.714 3.476 -6.387 1.00 53.22 H new ATOM 0 HG3 ARG A 56 2.131 2.477 -6.646 1.00 53.22 H new ATOM 0 HD2 ARG A 56 0.880 0.587 -7.242 1.00 30.11 H new ATOM 0 HD3 ARG A 56 -0.513 1.076 -6.297 1.00 30.11 H new ATOM 0 HE ARG A 56 0.016 2.762 -8.654 1.00 44.10 H new ATOM 0 HH11 ARG A 56 -1.915 0.202 -7.147 1.00 24.12 H new ATOM 0 HH12 ARG A 56 -3.034 0.087 -8.508 1.00 24.12 H new ATOM 0 HH21 ARG A 56 -1.350 2.471 -10.471 1.00 32.33 H new ATOM 0 HH22 ARG A 56 -2.718 1.358 -10.369 1.00 32.33 H new ATOM 747 N VAL A 57 4.204 0.350 -5.134 1.00 71.04 N ATOM 748 CA VAL A 57 5.652 0.425 -5.096 1.00 4.30 C ATOM 749 C VAL A 57 6.153 1.079 -6.385 1.00 62.22 C ATOM 750 O VAL A 57 6.114 0.492 -7.469 1.00 25.41 O ATOM 751 CB VAL A 57 6.237 -0.950 -4.734 1.00 70.11 C ATOM 752 CG1 VAL A 57 5.724 -2.091 -5.616 1.00 44.52 C ATOM 753 CG2 VAL A 57 7.769 -0.896 -4.731 1.00 4.11 C ATOM 0 H VAL A 57 3.850 -0.309 -5.827 1.00 71.04 H new ATOM 0 HA VAL A 57 6.016 1.076 -4.301 1.00 4.30 H new ATOM 0 HB VAL A 57 5.885 -1.179 -3.728 1.00 70.11 H new ATOM 0 HG11 VAL A 57 6.181 -3.029 -5.300 1.00 44.52 H new ATOM 0 HG12 VAL A 57 4.641 -2.165 -5.521 1.00 44.52 H new ATOM 0 HG13 VAL A 57 5.984 -1.892 -6.656 1.00 44.52 H new ATOM 0 HG21 VAL A 57 8.167 -1.877 -4.473 1.00 4.11 H new ATOM 0 HG22 VAL A 57 8.125 -0.609 -5.720 1.00 4.11 H new ATOM 0 HG23 VAL A 57 8.106 -0.163 -3.998 1.00 4.11 H new ATOM 763 N ILE A 58 6.562 2.338 -6.254 1.00 23.34 N ATOM 764 CA ILE A 58 7.269 3.094 -7.279 1.00 63.01 C ATOM 765 C ILE A 58 8.637 2.414 -7.476 1.00 41.34 C ATOM 766 O ILE A 58 9.228 1.890 -6.525 1.00 70.12 O ATOM 767 CB ILE A 58 7.370 4.585 -6.835 1.00 70.35 C ATOM 768 CG1 ILE A 58 6.024 5.342 -6.618 1.00 74.42 C ATOM 769 CG2 ILE A 58 8.234 5.441 -7.781 1.00 25.52 C ATOM 770 CD1 ILE A 58 4.731 4.712 -7.156 1.00 3.24 C ATOM 0 H ILE A 58 6.404 2.876 -5.402 1.00 23.34 H new ATOM 0 HA ILE A 58 6.749 3.099 -8.237 1.00 63.01 H new ATOM 0 HB ILE A 58 7.842 4.476 -5.859 1.00 70.35 H new ATOM 0 HG12 ILE A 58 5.898 5.492 -5.546 1.00 74.42 H new ATOM 0 HG13 ILE A 58 6.123 6.330 -7.069 1.00 74.42 H new ATOM 0 HG21 ILE A 58 8.264 6.468 -7.417 1.00 25.52 H new ATOM 0 HG22 ILE A 58 9.246 5.038 -7.814 1.00 25.52 H new ATOM 0 HG23 ILE A 58 7.804 5.424 -8.782 1.00 25.52 H new ATOM 0 HD11 ILE A 58 3.886 5.361 -6.924 1.00 3.24 H new ATOM 0 HD12 ILE A 58 4.808 4.589 -8.236 1.00 3.24 H new ATOM 0 HD13 ILE A 58 4.579 3.738 -6.690 1.00 3.24 H new ATOM 781 N LYS A 59 9.153 2.452 -8.704 1.00 63.02 N ATOM 782 CA LYS A 59 10.430 1.878 -9.128 1.00 5.32 C ATOM 783 C LYS A 59 11.375 3.010 -9.513 1.00 10.13 C ATOM 784 O LYS A 59 10.944 4.160 -9.657 1.00 13.41 O ATOM 785 CB LYS A 59 10.203 0.930 -10.317 1.00 34.30 C ATOM 786 CG LYS A 59 9.352 -0.290 -9.923 1.00 54.24 C ATOM 787 CD LYS A 59 9.111 -1.251 -11.093 1.00 11.52 C ATOM 788 CE LYS A 59 8.286 -0.592 -12.204 1.00 32.34 C ATOM 789 NZ LYS A 59 7.923 -1.568 -13.247 1.00 14.32 N ATOM 0 H LYS A 59 8.664 2.910 -9.473 1.00 63.02 H new ATOM 0 HA LYS A 59 10.873 1.304 -8.314 1.00 5.32 H new ATOM 0 HB2 LYS A 59 9.710 1.472 -11.124 1.00 34.30 H new ATOM 0 HB3 LYS A 59 11.166 0.593 -10.701 1.00 34.30 H new ATOM 0 HG2 LYS A 59 9.848 -0.827 -9.114 1.00 54.24 H new ATOM 0 HG3 LYS A 59 8.392 0.052 -9.537 1.00 54.24 H new ATOM 0 HD2 LYS A 59 10.068 -1.581 -11.497 1.00 11.52 H new ATOM 0 HD3 LYS A 59 8.593 -2.140 -10.733 1.00 11.52 H new ATOM 0 HE2 LYS A 59 7.382 -0.156 -11.779 1.00 32.34 H new ATOM 0 HE3 LYS A 59 8.855 0.224 -12.648 1.00 32.34 H new ATOM 0 HZ1 LYS A 59 7.365 -1.095 -13.986 1.00 14.32 H new ATOM 0 HZ2 LYS A 59 8.788 -1.965 -13.667 1.00 14.32 H new ATOM 0 HZ3 LYS A 59 7.360 -2.334 -12.825 1.00 14.32 H new ATOM 799 N ASP A 60 12.664 2.714 -9.666 1.00 63.01 N ATOM 800 CA ASP A 60 13.661 3.716 -10.018 1.00 13.31 C ATOM 801 C ASP A 60 13.513 4.180 -11.467 1.00 32.10 C ATOM 802 O ASP A 60 12.731 3.637 -12.251 1.00 52.03 O ATOM 803 CB ASP A 60 15.067 3.184 -9.692 1.00 34.00 C ATOM 804 CG ASP A 60 16.130 4.273 -9.819 1.00 72.42 C ATOM 805 OD1 ASP A 60 15.804 5.453 -9.546 1.00 54.51 O ATOM 806 OD2 ASP A 60 17.247 3.961 -10.283 1.00 32.30 O ATOM 0 H ASP A 60 13.044 1.774 -9.549 1.00 63.01 H new ATOM 0 HA ASP A 60 13.499 4.609 -9.414 1.00 13.31 H new ATOM 0 HB2 ASP A 60 15.078 2.782 -8.679 1.00 34.00 H new ATOM 0 HB3 ASP A 60 15.309 2.360 -10.364 1.00 34.00 H new ATOM 810 N LYS A 61 14.235 5.247 -11.787 1.00 3.41 N ATOM 811 CA LYS A 61 14.411 5.821 -13.091 1.00 72.35 C ATOM 812 C LYS A 61 15.669 5.277 -13.753 1.00 45.42 C ATOM 813 O LYS A 61 15.638 5.041 -14.959 1.00 53.32 O ATOM 814 CB LYS A 61 14.516 7.327 -12.898 1.00 23.23 C ATOM 815 CG LYS A 61 14.615 8.051 -14.240 1.00 65.13 C ATOM 816 CD LYS A 61 14.625 9.572 -14.077 1.00 54.01 C ATOM 817 CE LYS A 61 14.654 10.220 -15.460 1.00 23.20 C ATOM 818 NZ LYS A 61 15.061 11.631 -15.394 1.00 12.02 N ATOM 0 H LYS A 61 14.749 5.766 -11.075 1.00 3.41 H new ATOM 0 HA LYS A 61 13.573 5.569 -13.741 1.00 72.35 H new ATOM 0 HB2 LYS A 61 13.645 7.688 -12.351 1.00 23.23 H new ATOM 0 HB3 LYS A 61 15.392 7.558 -12.292 1.00 23.23 H new ATOM 0 HG2 LYS A 61 15.523 7.737 -14.754 1.00 65.13 H new ATOM 0 HG3 LYS A 61 13.775 7.760 -14.870 1.00 65.13 H new ATOM 0 HD2 LYS A 61 13.742 9.898 -13.527 1.00 54.01 H new ATOM 0 HD3 LYS A 61 15.494 9.883 -13.497 1.00 54.01 H new ATOM 0 HE2 LYS A 61 15.343 9.673 -16.103 1.00 23.20 H new ATOM 0 HE3 LYS A 61 13.667 10.148 -15.916 1.00 23.20 H new ATOM 0 HZ1 LYS A 61 15.068 12.035 -16.352 1.00 12.02 H new ATOM 0 HZ2 LYS A 61 14.389 12.159 -14.801 1.00 12.02 H new ATOM 0 HZ3 LYS A 61 16.014 11.699 -14.982 1.00 12.02 H new ATOM 828 N GLN A 62 16.784 5.125 -13.023 1.00 13.34 N ATOM 829 CA GLN A 62 18.031 4.663 -13.612 1.00 22.12 C ATOM 830 C GLN A 62 17.802 3.209 -13.995 1.00 61.34 C ATOM 831 O GLN A 62 17.987 2.824 -15.151 1.00 22.40 O ATOM 832 CB GLN A 62 19.223 4.796 -12.650 1.00 30.31 C ATOM 833 CG GLN A 62 19.297 6.129 -11.892 1.00 52.54 C ATOM 834 CD GLN A 62 20.469 6.201 -10.909 1.00 53.25 C ATOM 835 OE1 GLN A 62 20.325 6.746 -9.821 1.00 41.11 O ATOM 836 NE2 GLN A 62 21.633 5.668 -11.237 1.00 64.31 N ATOM 0 H GLN A 62 16.838 5.318 -12.023 1.00 13.34 H new ATOM 0 HA GLN A 62 18.289 5.275 -14.476 1.00 22.12 H new ATOM 0 HB2 GLN A 62 19.178 3.984 -11.924 1.00 30.31 H new ATOM 0 HB3 GLN A 62 20.145 4.666 -13.217 1.00 30.31 H new ATOM 0 HG2 GLN A 62 19.384 6.944 -12.611 1.00 52.54 H new ATOM 0 HG3 GLN A 62 18.365 6.282 -11.348 1.00 52.54 H new ATOM 0 HE21 GLN A 62 21.749 5.215 -12.144 1.00 64.31 H new ATOM 0 HE22 GLN A 62 22.415 5.709 -10.584 1.00 64.31 H new ATOM 843 N THR A 63 17.320 2.437 -13.025 1.00 52.24 N ATOM 844 CA THR A 63 17.121 1.012 -13.124 1.00 23.13 C ATOM 845 C THR A 63 15.639 0.691 -13.082 1.00 70.35 C ATOM 846 O THR A 63 14.808 1.524 -12.728 1.00 32.32 O ATOM 847 CB THR A 63 17.921 0.350 -11.989 1.00 11.54 C ATOM 848 OG1 THR A 63 17.713 0.966 -10.725 1.00 14.13 O ATOM 849 CG2 THR A 63 19.402 0.534 -12.293 1.00 41.24 C ATOM 0 H THR A 63 17.049 2.812 -12.116 1.00 52.24 H new ATOM 0 HA THR A 63 17.484 0.618 -14.073 1.00 23.13 H new ATOM 0 HB THR A 63 17.598 -0.690 -11.938 1.00 11.54 H new ATOM 0 HG1 THR A 63 18.244 0.503 -10.044 1.00 14.13 H new ATOM 0 HG21 THR A 63 19.996 0.074 -11.503 1.00 41.24 H new ATOM 0 HG22 THR A 63 19.639 0.063 -13.247 1.00 41.24 H new ATOM 0 HG23 THR A 63 19.633 1.598 -12.347 1.00 41.24 H new ATOM 857 N GLN A 64 15.294 -0.535 -13.446 1.00 51.11 N ATOM 858 CA GLN A 64 13.938 -1.045 -13.422 1.00 25.14 C ATOM 859 C GLN A 64 13.839 -1.949 -12.203 1.00 42.14 C ATOM 860 O GLN A 64 13.635 -3.158 -12.309 1.00 51.14 O ATOM 861 CB GLN A 64 13.633 -1.702 -14.775 1.00 44.34 C ATOM 862 CG GLN A 64 13.687 -0.660 -15.910 1.00 21.34 C ATOM 863 CD GLN A 64 12.692 0.483 -15.698 1.00 3.24 C ATOM 864 OE1 GLN A 64 11.481 0.287 -15.722 1.00 45.40 O ATOM 865 NE2 GLN A 64 13.157 1.703 -15.474 1.00 70.32 N ATOM 0 H GLN A 64 15.973 -1.221 -13.776 1.00 51.11 H new ATOM 0 HA GLN A 64 13.170 -0.279 -13.312 1.00 25.14 H new ATOM 0 HB2 GLN A 64 14.353 -2.497 -14.970 1.00 44.34 H new ATOM 0 HB3 GLN A 64 12.647 -2.165 -14.746 1.00 44.34 H new ATOM 0 HG2 GLN A 64 14.696 -0.252 -15.978 1.00 21.34 H new ATOM 0 HG3 GLN A 64 13.476 -1.150 -16.860 1.00 21.34 H new ATOM 0 HE21 GLN A 64 14.163 1.869 -15.453 1.00 70.32 H new ATOM 0 HE22 GLN A 64 12.509 2.476 -15.322 1.00 70.32 H new ATOM 872 N LEU A 65 14.070 -1.348 -11.037 1.00 32.04 N ATOM 873 CA LEU A 65 14.109 -2.003 -9.733 1.00 72.01 C ATOM 874 C LEU A 65 13.365 -1.141 -8.718 1.00 21.44 C ATOM 875 O LEU A 65 13.091 0.027 -8.996 1.00 70.34 O ATOM 876 CB LEU A 65 15.566 -2.112 -9.285 1.00 4.32 C ATOM 877 CG LEU A 65 16.484 -2.969 -10.172 1.00 4.13 C ATOM 878 CD1 LEU A 65 17.924 -2.698 -9.747 1.00 14.41 C ATOM 879 CD2 LEU A 65 16.162 -4.465 -10.098 1.00 34.31 C ATOM 0 H LEU A 65 14.243 -0.345 -10.974 1.00 32.04 H new ATOM 0 HA LEU A 65 13.650 -2.989 -9.801 1.00 72.01 H new ATOM 0 HB2 LEU A 65 15.984 -1.107 -9.229 1.00 4.32 H new ATOM 0 HB3 LEU A 65 15.585 -2.522 -8.275 1.00 4.32 H new ATOM 0 HG LEU A 65 16.327 -2.691 -11.214 1.00 4.13 H new ATOM 0 HD11 LEU A 65 18.602 -3.293 -10.359 1.00 14.41 H new ATOM 0 HD12 LEU A 65 18.149 -1.640 -9.879 1.00 14.41 H new ATOM 0 HD13 LEU A 65 18.051 -2.968 -8.699 1.00 14.41 H new ATOM 0 HD21 LEU A 65 16.844 -5.016 -10.746 1.00 34.31 H new ATOM 0 HD22 LEU A 65 16.277 -4.812 -9.071 1.00 34.31 H new ATOM 0 HD23 LEU A 65 15.136 -4.633 -10.425 1.00 34.31 H new ATOM 890 N ASN A 66 13.086 -1.668 -7.523 1.00 24.24 N ATOM 891 CA ASN A 66 12.514 -0.851 -6.451 1.00 3.32 C ATOM 892 C ASN A 66 13.554 0.177 -5.982 1.00 45.52 C ATOM 893 O ASN A 66 14.759 -0.073 -6.015 1.00 32.32 O ATOM 894 CB ASN A 66 12.067 -1.693 -5.240 1.00 71.11 C ATOM 895 CG ASN A 66 11.086 -2.810 -5.562 1.00 65.31 C ATOM 896 OD1 ASN A 66 10.154 -2.643 -6.341 1.00 13.55 O ATOM 897 ND2 ASN A 66 11.255 -3.950 -4.916 1.00 72.41 N ATOM 0 H ASN A 66 13.245 -2.645 -7.275 1.00 24.24 H new ATOM 0 HA ASN A 66 11.632 -0.358 -6.858 1.00 3.32 H new ATOM 0 HB2 ASN A 66 12.950 -2.129 -4.773 1.00 71.11 H new ATOM 0 HB3 ASN A 66 11.612 -1.031 -4.504 1.00 71.11 H new ATOM 0 HD21 ASN A 66 10.601 -4.719 -5.060 1.00 72.41 H new ATOM 0 HD22 ASN A 66 12.040 -4.061 -4.274 1.00 72.41 H new ATOM 903 N ARG A 67 13.091 1.303 -5.437 1.00 41.45 N ATOM 904 CA ARG A 67 13.870 2.335 -4.738 1.00 71.22 C ATOM 905 C ARG A 67 13.899 2.088 -3.217 1.00 45.15 C ATOM 906 O ARG A 67 14.190 3.004 -2.443 1.00 41.31 O ATOM 907 CB ARG A 67 13.292 3.723 -5.103 1.00 74.45 C ATOM 908 CG ARG A 67 13.800 4.199 -6.469 1.00 14.23 C ATOM 909 CD ARG A 67 13.363 5.640 -6.789 1.00 51.41 C ATOM 910 NE ARG A 67 14.507 6.462 -7.229 1.00 14.41 N ATOM 911 CZ ARG A 67 14.893 7.638 -6.716 1.00 14.44 C ATOM 912 NH1 ARG A 67 14.099 8.345 -5.912 1.00 73.45 N ATOM 913 NH2 ARG A 67 16.093 8.114 -7.001 1.00 63.21 N ATOM 0 H ARG A 67 12.099 1.537 -5.473 1.00 41.45 H new ATOM 0 HA ARG A 67 14.910 2.294 -5.062 1.00 71.22 H new ATOM 0 HB2 ARG A 67 12.203 3.674 -5.115 1.00 74.45 H new ATOM 0 HB3 ARG A 67 13.570 4.447 -4.337 1.00 74.45 H new ATOM 0 HG2 ARG A 67 14.888 4.139 -6.490 1.00 14.23 H new ATOM 0 HG3 ARG A 67 13.429 3.529 -7.245 1.00 14.23 H new ATOM 0 HD2 ARG A 67 12.601 5.627 -7.568 1.00 51.41 H new ATOM 0 HD3 ARG A 67 12.908 6.089 -5.906 1.00 51.41 H new ATOM 0 HE ARG A 67 15.061 6.097 -8.004 1.00 14.41 H new ATOM 0 HH11 ARG A 67 13.172 7.994 -5.673 1.00 73.45 H new ATOM 0 HH12 ARG A 67 14.419 9.237 -5.536 1.00 73.45 H new ATOM 0 HH21 ARG A 67 16.720 7.586 -7.609 1.00 63.21 H new ATOM 0 HH22 ARG A 67 16.392 9.009 -6.613 1.00 63.21 H new ATOM 924 N GLY A 68 13.570 0.875 -2.759 1.00 45.43 N ATOM 925 CA GLY A 68 13.691 0.463 -1.357 1.00 2.50 C ATOM 926 C GLY A 68 12.542 0.928 -0.454 1.00 24.02 C ATOM 927 O GLY A 68 12.552 0.650 0.746 1.00 23.20 O ATOM 0 H GLY A 68 13.206 0.139 -3.364 1.00 45.43 H new ATOM 0 HA2 GLY A 68 13.751 -0.625 -1.315 1.00 2.50 H new ATOM 0 HA3 GLY A 68 14.629 0.850 -0.958 1.00 2.50 H new ATOM 931 N PHE A 69 11.528 1.594 -1.014 1.00 33.30 N ATOM 932 CA PHE A 69 10.365 2.110 -0.291 1.00 12.31 C ATOM 933 C PHE A 69 9.091 1.678 -1.017 1.00 42.14 C ATOM 934 O PHE A 69 9.169 1.093 -2.102 1.00 41.22 O ATOM 935 CB PHE A 69 10.457 3.644 -0.140 1.00 12.24 C ATOM 936 CG PHE A 69 9.942 4.454 -1.323 1.00 32.22 C ATOM 937 CD1 PHE A 69 10.486 4.307 -2.615 1.00 43.54 C ATOM 938 CD2 PHE A 69 8.868 5.341 -1.127 1.00 10.44 C ATOM 939 CE1 PHE A 69 9.945 5.026 -3.696 1.00 45.51 C ATOM 940 CE2 PHE A 69 8.332 6.068 -2.203 1.00 44.43 C ATOM 941 CZ PHE A 69 8.868 5.905 -3.491 1.00 25.20 C ATOM 0 H PHE A 69 11.494 1.794 -2.014 1.00 33.30 H new ATOM 0 HA PHE A 69 10.341 1.696 0.717 1.00 12.31 H new ATOM 0 HB2 PHE A 69 9.899 3.938 0.749 1.00 12.24 H new ATOM 0 HB3 PHE A 69 11.499 3.912 0.035 1.00 12.24 H new ATOM 0 HD1 PHE A 69 11.321 3.640 -2.775 1.00 43.54 H new ATOM 0 HD2 PHE A 69 8.451 5.464 -0.138 1.00 10.44 H new ATOM 0 HE1 PHE A 69 10.358 4.902 -4.686 1.00 45.51 H new ATOM 0 HE2 PHE A 69 7.511 6.750 -2.040 1.00 44.43 H new ATOM 0 HZ PHE A 69 8.453 6.455 -4.323 1.00 25.20 H new ATOM 950 N ALA A 70 7.922 1.952 -0.449 1.00 2.24 N ATOM 951 CA ALA A 70 6.646 1.846 -1.141 1.00 4.34 C ATOM 952 C ALA A 70 5.651 2.791 -0.460 1.00 74.43 C ATOM 953 O ALA A 70 5.969 3.372 0.577 1.00 71.45 O ATOM 954 CB ALA A 70 6.163 0.387 -1.161 1.00 45.53 C ATOM 0 H ALA A 70 7.835 2.259 0.520 1.00 2.24 H new ATOM 0 HA ALA A 70 6.746 2.145 -2.185 1.00 4.34 H new ATOM 0 HB1 ALA A 70 5.208 0.327 -1.682 1.00 45.53 H new ATOM 0 HB2 ALA A 70 6.897 -0.232 -1.676 1.00 45.53 H new ATOM 0 HB3 ALA A 70 6.041 0.030 -0.138 1.00 45.53 H new ATOM 960 N PHE A 71 4.448 2.915 -1.016 1.00 33.13 N ATOM 961 CA PHE A 71 3.304 3.653 -0.492 1.00 25.12 C ATOM 962 C PHE A 71 2.179 2.645 -0.249 1.00 12.44 C ATOM 963 O PHE A 71 2.105 1.613 -0.926 1.00 52.55 O ATOM 964 CB PHE A 71 2.838 4.706 -1.518 1.00 33.42 C ATOM 965 CG PHE A 71 3.354 6.111 -1.282 1.00 31.51 C ATOM 966 CD1 PHE A 71 3.100 6.746 -0.052 1.00 53.22 C ATOM 967 CD2 PHE A 71 4.024 6.816 -2.301 1.00 72.33 C ATOM 968 CE1 PHE A 71 3.515 8.069 0.162 1.00 42.03 C ATOM 969 CE2 PHE A 71 4.446 8.138 -2.078 1.00 2.44 C ATOM 970 CZ PHE A 71 4.193 8.770 -0.849 1.00 21.24 C ATOM 0 H PHE A 71 4.233 2.470 -1.908 1.00 33.13 H new ATOM 0 HA PHE A 71 3.574 4.167 0.431 1.00 25.12 H new ATOM 0 HB2 PHE A 71 3.150 4.384 -2.512 1.00 33.42 H new ATOM 0 HB3 PHE A 71 1.748 4.732 -1.518 1.00 33.42 H new ATOM 0 HD1 PHE A 71 2.583 6.212 0.731 1.00 53.22 H new ATOM 0 HD2 PHE A 71 4.213 6.341 -3.252 1.00 72.33 H new ATOM 0 HE1 PHE A 71 3.312 8.550 1.107 1.00 42.03 H new ATOM 0 HE2 PHE A 71 4.969 8.672 -2.858 1.00 2.44 H new ATOM 0 HZ PHE A 71 4.517 9.787 -0.683 1.00 21.24 H new ATOM 979 N ILE A 72 1.281 2.964 0.681 1.00 52.22 N ATOM 980 CA ILE A 72 0.034 2.270 0.951 1.00 53.11 C ATOM 981 C ILE A 72 -1.036 3.342 1.136 1.00 52.11 C ATOM 982 O ILE A 72 -0.998 4.099 2.108 1.00 5.24 O ATOM 983 CB ILE A 72 0.194 1.303 2.143 1.00 45.52 C ATOM 984 CG1 ILE A 72 0.969 0.059 1.678 1.00 34.30 C ATOM 985 CG2 ILE A 72 -1.152 0.924 2.783 1.00 41.45 C ATOM 986 CD1 ILE A 72 1.340 -0.906 2.801 1.00 41.33 C ATOM 0 H ILE A 72 1.418 3.763 1.301 1.00 52.22 H new ATOM 0 HA ILE A 72 -0.270 1.625 0.127 1.00 53.11 H new ATOM 0 HB ILE A 72 0.758 1.812 2.925 1.00 45.52 H new ATOM 0 HG12 ILE A 72 0.369 -0.474 0.940 1.00 34.30 H new ATOM 0 HG13 ILE A 72 1.881 0.380 1.175 1.00 34.30 H new ATOM 0 HG21 ILE A 72 -0.980 0.242 3.616 1.00 41.45 H new ATOM 0 HG22 ILE A 72 -1.648 1.824 3.147 1.00 41.45 H new ATOM 0 HG23 ILE A 72 -1.784 0.437 2.040 1.00 41.45 H new ATOM 0 HD11 ILE A 72 1.884 -1.755 2.386 1.00 41.33 H new ATOM 0 HD12 ILE A 72 1.968 -0.393 3.529 1.00 41.33 H new ATOM 0 HD13 ILE A 72 0.433 -1.260 3.291 1.00 41.33 H new ATOM 997 N GLN A 73 -1.957 3.428 0.175 1.00 5.21 N ATOM 998 CA GLN A 73 -3.120 4.300 0.261 1.00 30.32 C ATOM 999 C GLN A 73 -4.168 3.667 1.186 1.00 44.35 C ATOM 1000 O GLN A 73 -4.440 2.466 1.060 1.00 53.41 O ATOM 1001 CB GLN A 73 -3.675 4.519 -1.152 1.00 45.03 C ATOM 1002 CG GLN A 73 -4.772 5.593 -1.202 1.00 45.15 C ATOM 1003 CD GLN A 73 -6.066 5.035 -1.764 1.00 43.33 C ATOM 1004 OE1 GLN A 73 -6.190 4.843 -2.973 1.00 71.34 O ATOM 1005 NE2 GLN A 73 -7.037 4.751 -0.921 1.00 64.41 N ATOM 0 H GLN A 73 -1.913 2.889 -0.690 1.00 5.21 H new ATOM 0 HA GLN A 73 -2.846 5.268 0.681 1.00 30.32 H new ATOM 0 HB2 GLN A 73 -2.860 4.807 -1.816 1.00 45.03 H new ATOM 0 HB3 GLN A 73 -4.077 3.578 -1.529 1.00 45.03 H new ATOM 0 HG2 GLN A 73 -4.947 5.984 -0.200 1.00 45.15 H new ATOM 0 HG3 GLN A 73 -4.437 6.429 -1.816 1.00 45.15 H new ATOM 0 HE21 GLN A 73 -6.911 4.919 0.077 1.00 64.41 H new ATOM 0 HE22 GLN A 73 -7.915 4.363 -1.266 1.00 64.41 H new ATOM 1012 N LEU A 74 -4.751 4.453 2.100 1.00 21.51 N ATOM 1013 CA LEU A 74 -5.704 3.980 3.107 1.00 13.02 C ATOM 1014 C LEU A 74 -6.559 5.149 3.638 1.00 5.40 C ATOM 1015 O LEU A 74 -6.752 6.127 2.911 1.00 74.45 O ATOM 1016 CB LEU A 74 -4.943 3.159 4.180 1.00 5.44 C ATOM 1017 CG LEU A 74 -5.507 1.723 4.288 1.00 45.21 C ATOM 1018 CD1 LEU A 74 -4.411 0.740 4.699 1.00 25.14 C ATOM 1019 CD2 LEU A 74 -6.648 1.660 5.300 1.00 62.13 C ATOM 0 H LEU A 74 -4.569 5.455 2.160 1.00 21.51 H new ATOM 0 HA LEU A 74 -6.433 3.295 2.674 1.00 13.02 H new ATOM 0 HB2 LEU A 74 -3.883 3.119 3.927 1.00 5.44 H new ATOM 0 HB3 LEU A 74 -5.021 3.657 5.146 1.00 5.44 H new ATOM 0 HG LEU A 74 -5.888 1.445 3.305 1.00 45.21 H new ATOM 0 HD11 LEU A 74 -4.830 -0.264 4.769 1.00 25.14 H new ATOM 0 HD12 LEU A 74 -3.615 0.750 3.954 1.00 25.14 H new ATOM 0 HD13 LEU A 74 -4.005 1.032 5.668 1.00 25.14 H new ATOM 0 HD21 LEU A 74 -7.027 0.640 5.357 1.00 62.13 H new ATOM 0 HD22 LEU A 74 -6.283 1.967 6.280 1.00 62.13 H new ATOM 0 HD23 LEU A 74 -7.450 2.328 4.986 1.00 62.13 H new ATOM 1030 N SER A 75 -7.143 5.038 4.841 1.00 64.12 N ATOM 1031 CA SER A 75 -8.100 5.988 5.418 1.00 2.00 C ATOM 1032 C SER A 75 -7.662 6.415 6.827 1.00 33.21 C ATOM 1033 O SER A 75 -6.780 5.791 7.414 1.00 74.32 O ATOM 1034 CB SER A 75 -9.495 5.345 5.391 1.00 51.25 C ATOM 1035 OG SER A 75 -10.497 6.259 5.806 1.00 32.31 O ATOM 0 H SER A 75 -6.952 4.251 5.462 1.00 64.12 H new ATOM 0 HA SER A 75 -8.134 6.905 4.829 1.00 2.00 H new ATOM 0 HB2 SER A 75 -9.716 4.995 4.383 1.00 51.25 H new ATOM 0 HB3 SER A 75 -9.506 4.471 6.042 1.00 51.25 H new ATOM 0 HG SER A 75 -11.373 5.820 5.776 1.00 32.31 H new ATOM 1040 N THR A 76 -8.281 7.460 7.385 1.00 65.34 N ATOM 1041 CA THR A 76 -7.745 8.255 8.487 1.00 52.24 C ATOM 1042 C THR A 76 -7.384 7.433 9.724 1.00 72.51 C ATOM 1043 O THR A 76 -6.224 7.440 10.151 1.00 64.04 O ATOM 1044 CB THR A 76 -8.692 9.430 8.822 1.00 25.22 C ATOM 1045 OG1 THR A 76 -10.064 9.060 8.833 1.00 61.35 O ATOM 1046 CG2 THR A 76 -8.496 10.564 7.819 1.00 13.12 C ATOM 0 H THR A 76 -9.196 7.783 7.071 1.00 65.34 H new ATOM 0 HA THR A 76 -6.797 8.666 8.141 1.00 52.24 H new ATOM 0 HB THR A 76 -8.431 9.753 9.830 1.00 25.22 H new ATOM 0 HG1 THR A 76 -10.612 9.842 9.052 1.00 61.35 H new ATOM 0 HG21 THR A 76 -9.168 11.387 8.064 1.00 13.12 H new ATOM 0 HG22 THR A 76 -7.464 10.913 7.862 1.00 13.12 H new ATOM 0 HG23 THR A 76 -8.716 10.203 6.814 1.00 13.12 H new ATOM 1054 N ILE A 77 -8.357 6.761 10.344 1.00 1.50 N ATOM 1055 CA ILE A 77 -8.096 5.956 11.536 1.00 72.11 C ATOM 1056 C ILE A 77 -7.370 4.680 11.118 1.00 51.15 C ATOM 1057 O ILE A 77 -6.466 4.226 11.813 1.00 72.43 O ATOM 1058 CB ILE A 77 -9.403 5.694 12.321 1.00 33.10 C ATOM 1059 CG1 ILE A 77 -9.920 7.050 12.859 1.00 21.14 C ATOM 1060 CG2 ILE A 77 -9.172 4.700 13.475 1.00 3.20 C ATOM 1061 CD1 ILE A 77 -11.158 6.955 13.753 1.00 23.41 C ATOM 0 H ILE A 77 -9.331 6.759 10.040 1.00 1.50 H new ATOM 0 HA ILE A 77 -7.447 6.495 12.226 1.00 72.11 H new ATOM 0 HB ILE A 77 -10.144 5.245 11.660 1.00 33.10 H new ATOM 0 HG12 ILE A 77 -9.119 7.531 13.421 1.00 21.14 H new ATOM 0 HG13 ILE A 77 -10.149 7.697 12.013 1.00 21.14 H new ATOM 0 HG21 ILE A 77 -10.109 4.537 14.007 1.00 3.20 H new ATOM 0 HG22 ILE A 77 -8.813 3.753 13.073 1.00 3.20 H new ATOM 0 HG23 ILE A 77 -8.430 5.107 14.162 1.00 3.20 H new ATOM 0 HD11 ILE A 77 -11.447 7.953 14.082 1.00 23.41 H new ATOM 0 HD12 ILE A 77 -11.978 6.506 13.192 1.00 23.41 H new ATOM 0 HD13 ILE A 77 -10.932 6.338 14.623 1.00 23.41 H new ATOM 1072 N GLU A 78 -7.742 4.104 9.979 1.00 45.22 N ATOM 1073 CA GLU A 78 -7.280 2.784 9.574 1.00 52.32 C ATOM 1074 C GLU A 78 -5.776 2.788 9.321 1.00 2.34 C ATOM 1075 O GLU A 78 -5.082 1.860 9.734 1.00 53.13 O ATOM 1076 CB GLU A 78 -8.067 2.320 8.347 1.00 51.54 C ATOM 1077 CG GLU A 78 -9.526 2.072 8.737 1.00 42.44 C ATOM 1078 CD GLU A 78 -10.462 2.154 7.538 1.00 50.23 C ATOM 1079 OE1 GLU A 78 -10.371 1.297 6.632 1.00 73.14 O ATOM 1080 OE2 GLU A 78 -11.289 3.095 7.542 1.00 11.01 O ATOM 0 H GLU A 78 -8.375 4.543 9.310 1.00 45.22 H new ATOM 0 HA GLU A 78 -7.461 2.075 10.382 1.00 52.32 H new ATOM 0 HB2 GLU A 78 -8.013 3.074 7.561 1.00 51.54 H new ATOM 0 HB3 GLU A 78 -7.627 1.408 7.944 1.00 51.54 H new ATOM 0 HG2 GLU A 78 -9.615 1.089 9.199 1.00 42.44 H new ATOM 0 HG3 GLU A 78 -9.830 2.804 9.485 1.00 42.44 H new ATOM 1085 N ALA A 79 -5.262 3.871 8.734 1.00 5.41 N ATOM 1086 CA ALA A 79 -3.852 4.044 8.416 1.00 54.51 C ATOM 1087 C ALA A 79 -3.026 4.057 9.698 1.00 2.54 C ATOM 1088 O ALA A 79 -1.849 3.709 9.678 1.00 5.23 O ATOM 1089 CB ALA A 79 -3.638 5.359 7.642 1.00 23.02 C ATOM 0 H ALA A 79 -5.834 4.670 8.461 1.00 5.41 H new ATOM 0 HA ALA A 79 -3.529 3.211 7.792 1.00 54.51 H new ATOM 0 HB1 ALA A 79 -2.579 5.477 7.410 1.00 23.02 H new ATOM 0 HB2 ALA A 79 -4.212 5.333 6.716 1.00 23.02 H new ATOM 0 HB3 ALA A 79 -3.971 6.199 8.252 1.00 23.02 H new ATOM 1095 N ALA A 80 -3.638 4.463 10.813 1.00 12.21 N ATOM 1096 CA ALA A 80 -2.956 4.604 12.074 1.00 41.31 C ATOM 1097 C ALA A 80 -3.123 3.353 12.943 1.00 51.32 C ATOM 1098 O ALA A 80 -2.167 2.926 13.591 1.00 10.13 O ATOM 1099 CB ALA A 80 -3.466 5.867 12.773 1.00 44.15 C ATOM 0 H ALA A 80 -4.629 4.702 10.852 1.00 12.21 H new ATOM 0 HA ALA A 80 -1.885 4.708 11.901 1.00 41.31 H new ATOM 0 HB1 ALA A 80 -2.957 5.984 13.729 1.00 44.15 H new ATOM 0 HB2 ALA A 80 -3.266 6.736 12.146 1.00 44.15 H new ATOM 0 HB3 ALA A 80 -4.539 5.781 12.942 1.00 44.15 H new ATOM 1105 N GLN A 81 -4.328 2.769 12.980 1.00 51.35 N ATOM 1106 CA GLN A 81 -4.622 1.611 13.817 1.00 41.21 C ATOM 1107 C GLN A 81 -3.865 0.385 13.298 1.00 32.43 C ATOM 1108 O GLN A 81 -3.297 -0.362 14.101 1.00 63.14 O ATOM 1109 CB GLN A 81 -6.150 1.385 13.940 1.00 2.14 C ATOM 1110 CG GLN A 81 -6.796 0.599 12.784 1.00 12.33 C ATOM 1111 CD GLN A 81 -8.330 0.544 12.806 1.00 11.33 C ATOM 1112 OE1 GLN A 81 -9.005 1.048 13.702 1.00 5.23 O ATOM 1113 NE2 GLN A 81 -8.936 -0.094 11.817 1.00 61.10 N ATOM 0 H GLN A 81 -5.123 3.091 12.428 1.00 51.35 H new ATOM 0 HA GLN A 81 -4.269 1.797 14.831 1.00 41.21 H new ATOM 0 HB2 GLN A 81 -6.348 0.856 14.872 1.00 2.14 H new ATOM 0 HB3 GLN A 81 -6.639 2.356 14.015 1.00 2.14 H new ATOM 0 HG2 GLN A 81 -6.478 1.044 11.841 1.00 12.33 H new ATOM 0 HG3 GLN A 81 -6.412 -0.421 12.800 1.00 12.33 H new ATOM 0 HE21 GLN A 81 -8.385 -0.516 11.069 1.00 61.10 H new ATOM 0 HE22 GLN A 81 -9.953 -0.164 11.803 1.00 61.10 H new ATOM 1120 N LEU A 82 -3.843 0.191 11.969 1.00 64.23 N ATOM 1121 CA LEU A 82 -3.255 -0.979 11.334 1.00 61.03 C ATOM 1122 C LEU A 82 -1.762 -0.977 11.561 1.00 12.42 C ATOM 1123 O LEU A 82 -1.206 -2.018 11.900 1.00 23.20 O ATOM 1124 CB LEU A 82 -3.557 -1.007 9.826 1.00 32.43 C ATOM 1125 CG LEU A 82 -5.028 -1.322 9.492 1.00 61.03 C ATOM 1126 CD1 LEU A 82 -5.309 -1.018 8.018 1.00 41.41 C ATOM 1127 CD2 LEU A 82 -5.386 -2.787 9.787 1.00 64.11 C ATOM 0 H LEU A 82 -4.240 0.856 11.305 1.00 64.23 H new ATOM 0 HA LEU A 82 -3.695 -1.871 11.780 1.00 61.03 H new ATOM 0 HB2 LEU A 82 -3.295 -0.041 9.394 1.00 32.43 H new ATOM 0 HB3 LEU A 82 -2.919 -1.752 9.351 1.00 32.43 H new ATOM 0 HG LEU A 82 -5.646 -0.689 10.129 1.00 61.03 H new ATOM 0 HD11 LEU A 82 -6.351 -1.244 7.792 1.00 41.41 H new ATOM 0 HD12 LEU A 82 -5.115 0.036 7.821 1.00 41.41 H new ATOM 0 HD13 LEU A 82 -4.661 -1.630 7.390 1.00 41.41 H new ATOM 0 HD21 LEU A 82 -6.432 -2.963 9.537 1.00 64.11 H new ATOM 0 HD22 LEU A 82 -4.754 -3.444 9.189 1.00 64.11 H new ATOM 0 HD23 LEU A 82 -5.226 -2.995 10.845 1.00 64.11 H new ATOM 1138 N LEU A 83 -1.103 0.172 11.417 1.00 72.05 N ATOM 1139 CA LEU A 83 0.331 0.200 11.441 1.00 3.23 C ATOM 1140 C LEU A 83 0.889 -0.201 12.808 1.00 13.23 C ATOM 1141 O LEU A 83 1.980 -0.760 12.872 1.00 1.44 O ATOM 1142 CB LEU A 83 0.771 1.598 11.032 1.00 12.54 C ATOM 1143 CG LEU A 83 2.244 1.518 10.624 1.00 52.32 C ATOM 1144 CD1 LEU A 83 2.444 1.832 9.153 1.00 23.10 C ATOM 1145 CD2 LEU A 83 3.083 2.437 11.488 1.00 70.24 C ATOM 0 H LEU A 83 -1.548 1.080 11.284 1.00 72.05 H new ATOM 0 HA LEU A 83 0.729 -0.534 10.741 1.00 3.23 H new ATOM 0 HB2 LEU A 83 0.164 1.964 10.204 1.00 12.54 H new ATOM 0 HB3 LEU A 83 0.640 2.298 11.857 1.00 12.54 H new ATOM 0 HG LEU A 83 2.572 0.491 10.781 1.00 52.32 H new ATOM 0 HD11 LEU A 83 3.504 1.764 8.907 1.00 23.10 H new ATOM 0 HD12 LEU A 83 1.884 1.118 8.549 1.00 23.10 H new ATOM 0 HD13 LEU A 83 2.088 2.841 8.945 1.00 23.10 H new ATOM 0 HD21 LEU A 83 4.128 2.368 11.185 1.00 70.24 H new ATOM 0 HD22 LEU A 83 2.738 3.464 11.369 1.00 70.24 H new ATOM 0 HD23 LEU A 83 2.988 2.141 12.533 1.00 70.24 H new ATOM 1156 N GLN A 84 0.126 0.011 13.885 1.00 11.22 N ATOM 1157 CA GLN A 84 0.503 -0.456 15.209 1.00 52.31 C ATOM 1158 C GLN A 84 0.397 -1.981 15.287 1.00 23.30 C ATOM 1159 O GLN A 84 1.311 -2.622 15.802 1.00 41.31 O ATOM 1160 CB GLN A 84 -0.340 0.251 16.281 1.00 33.01 C ATOM 1161 CG GLN A 84 0.449 1.373 16.972 1.00 14.20 C ATOM 1162 CD GLN A 84 0.692 2.611 16.100 1.00 23.20 C ATOM 1163 OE1 GLN A 84 1.363 2.572 15.071 1.00 44.42 O ATOM 1164 NE2 GLN A 84 0.169 3.757 16.501 1.00 41.51 N ATOM 0 H GLN A 84 -0.764 0.509 13.857 1.00 11.22 H new ATOM 0 HA GLN A 84 1.545 -0.201 15.401 1.00 52.31 H new ATOM 0 HB2 GLN A 84 -1.238 0.666 15.823 1.00 33.01 H new ATOM 0 HB3 GLN A 84 -0.668 -0.475 17.025 1.00 33.01 H new ATOM 0 HG2 GLN A 84 -0.088 1.677 17.871 1.00 14.20 H new ATOM 0 HG3 GLN A 84 1.412 0.977 17.295 1.00 14.20 H new ATOM 0 HE21 GLN A 84 -0.388 3.792 17.355 1.00 41.51 H new ATOM 0 HE22 GLN A 84 0.323 4.606 15.957 1.00 41.51 H new ATOM 1171 N ILE A 85 -0.672 -2.576 14.738 1.00 53.12 N ATOM 1172 CA ILE A 85 -0.818 -4.031 14.638 1.00 71.44 C ATOM 1173 C ILE A 85 0.419 -4.604 13.930 1.00 5.11 C ATOM 1174 O ILE A 85 1.005 -5.590 14.384 1.00 52.11 O ATOM 1175 CB ILE A 85 -2.149 -4.419 13.944 1.00 45.33 C ATOM 1176 CG1 ILE A 85 -3.349 -3.933 14.788 1.00 2.20 C ATOM 1177 CG2 ILE A 85 -2.232 -5.947 13.735 1.00 41.31 C ATOM 1178 CD1 ILE A 85 -4.674 -3.919 14.023 1.00 25.04 C ATOM 0 H ILE A 85 -1.461 -2.058 14.350 1.00 53.12 H new ATOM 0 HA ILE A 85 -0.873 -4.469 15.635 1.00 71.44 H new ATOM 0 HB ILE A 85 -2.181 -3.936 12.967 1.00 45.33 H new ATOM 0 HG12 ILE A 85 -3.451 -4.576 15.662 1.00 2.20 H new ATOM 0 HG13 ILE A 85 -3.141 -2.928 15.154 1.00 2.20 H new ATOM 0 HG21 ILE A 85 -3.174 -6.197 13.247 1.00 41.31 H new ATOM 0 HG22 ILE A 85 -1.401 -6.274 13.110 1.00 41.31 H new ATOM 0 HG23 ILE A 85 -2.180 -6.450 14.701 1.00 41.31 H new ATOM 0 HD11 ILE A 85 -5.470 -3.567 14.680 1.00 25.04 H new ATOM 0 HD12 ILE A 85 -4.591 -3.253 13.164 1.00 25.04 H new ATOM 0 HD13 ILE A 85 -4.907 -4.927 13.680 1.00 25.04 H new ATOM 1189 N LEU A 86 0.848 -3.956 12.845 1.00 53.53 N ATOM 1190 CA LEU A 86 1.942 -4.403 11.992 1.00 31.02 C ATOM 1191 C LEU A 86 3.294 -4.465 12.682 1.00 64.05 C ATOM 1192 O LEU A 86 4.174 -5.162 12.175 1.00 73.12 O ATOM 1193 CB LEU A 86 2.073 -3.485 10.770 1.00 31.10 C ATOM 1194 CG LEU A 86 1.339 -4.074 9.570 1.00 74.32 C ATOM 1195 CD1 LEU A 86 -0.185 -3.968 9.678 1.00 23.40 C ATOM 1196 CD2 LEU A 86 1.778 -3.333 8.321 1.00 45.13 C ATOM 0 H LEU A 86 0.429 -3.081 12.530 1.00 53.53 H new ATOM 0 HA LEU A 86 1.677 -5.421 11.706 1.00 31.02 H new ATOM 0 HB2 LEU A 86 1.667 -2.501 11.003 1.00 31.10 H new ATOM 0 HB3 LEU A 86 3.126 -3.345 10.525 1.00 31.10 H new ATOM 0 HG LEU A 86 1.591 -5.134 9.532 1.00 74.32 H new ATOM 0 HD11 LEU A 86 -0.644 -4.406 8.792 1.00 23.40 H new ATOM 0 HD12 LEU A 86 -0.525 -4.503 10.565 1.00 23.40 H new ATOM 0 HD13 LEU A 86 -0.472 -2.919 9.755 1.00 23.40 H new ATOM 0 HD21 LEU A 86 1.261 -3.744 7.454 1.00 45.13 H new ATOM 0 HD22 LEU A 86 1.535 -2.275 8.421 1.00 45.13 H new ATOM 0 HD23 LEU A 86 2.854 -3.447 8.190 1.00 45.13 H new ATOM 1207 N GLN A 87 3.489 -3.774 13.804 1.00 74.22 N ATOM 1208 CA GLN A 87 4.769 -3.797 14.504 1.00 63.21 C ATOM 1209 C GLN A 87 5.016 -5.153 15.176 1.00 61.03 C ATOM 1210 O GLN A 87 6.103 -5.375 15.703 1.00 62.04 O ATOM 1211 CB GLN A 87 4.851 -2.643 15.515 1.00 61.14 C ATOM 1212 CG GLN A 87 4.441 -1.312 14.863 1.00 65.43 C ATOM 1213 CD GLN A 87 4.931 -0.060 15.571 1.00 65.11 C ATOM 1214 OE1 GLN A 87 5.395 -0.089 16.704 1.00 41.24 O ATOM 1215 NE2 GLN A 87 4.850 1.077 14.901 1.00 41.15 N ATOM 0 H GLN A 87 2.777 -3.193 14.246 1.00 74.22 H new ATOM 0 HA GLN A 87 5.560 -3.657 13.768 1.00 63.21 H new ATOM 0 HB2 GLN A 87 4.201 -2.852 16.365 1.00 61.14 H new ATOM 0 HB3 GLN A 87 5.867 -2.565 15.902 1.00 61.14 H new ATOM 0 HG2 GLN A 87 4.814 -1.299 13.839 1.00 65.43 H new ATOM 0 HG3 GLN A 87 3.353 -1.275 14.807 1.00 65.43 H new ATOM 0 HE21 GLN A 87 4.461 1.087 13.958 1.00 41.15 H new ATOM 0 HE22 GLN A 87 5.176 1.944 15.327 1.00 41.15 H new ATOM 1222 N ALA A 88 4.040 -6.060 15.152 1.00 70.43 N ATOM 1223 CA ALA A 88 4.022 -7.292 15.917 1.00 3.24 C ATOM 1224 C ALA A 88 3.821 -8.503 14.997 1.00 74.21 C ATOM 1225 O ALA A 88 3.282 -9.527 15.425 1.00 73.13 O ATOM 1226 CB ALA A 88 2.923 -7.159 16.969 1.00 12.34 C ATOM 0 H ALA A 88 3.208 -5.945 14.573 1.00 70.43 H new ATOM 0 HA ALA A 88 4.976 -7.460 16.416 1.00 3.24 H new ATOM 0 HB1 ALA A 88 2.879 -8.070 17.566 1.00 12.34 H new ATOM 0 HB2 ALA A 88 3.141 -6.310 17.617 1.00 12.34 H new ATOM 0 HB3 ALA A 88 1.964 -7.002 16.475 1.00 12.34 H new ATOM 1232 N LEU A 89 4.177 -8.383 13.715 1.00 2.44 N ATOM 1233 CA LEU A 89 4.191 -9.491 12.770 1.00 61.23 C ATOM 1234 C LEU A 89 5.291 -9.275 11.736 1.00 53.13 C ATOM 1235 O LEU A 89 5.811 -8.166 11.602 1.00 65.42 O ATOM 1236 CB LEU A 89 2.805 -9.675 12.128 1.00 31.01 C ATOM 1237 CG LEU A 89 2.364 -8.562 11.152 1.00 12.35 C ATOM 1238 CD1 LEU A 89 2.481 -9.026 9.708 1.00 5.31 C ATOM 1239 CD2 LEU A 89 0.920 -8.127 11.432 1.00 30.42 C ATOM 0 H LEU A 89 4.468 -7.496 13.303 1.00 2.44 H new ATOM 0 HA LEU A 89 4.415 -10.418 13.298 1.00 61.23 H new ATOM 0 HB2 LEU A 89 2.796 -10.625 11.594 1.00 31.01 H new ATOM 0 HB3 LEU A 89 2.064 -9.749 12.924 1.00 31.01 H new ATOM 0 HG LEU A 89 3.028 -7.711 11.307 1.00 12.35 H new ATOM 0 HD11 LEU A 89 2.164 -8.224 9.041 1.00 5.31 H new ATOM 0 HD12 LEU A 89 3.517 -9.289 9.493 1.00 5.31 H new ATOM 0 HD13 LEU A 89 1.846 -9.898 9.553 1.00 5.31 H new ATOM 0 HD21 LEU A 89 0.634 -7.343 10.731 1.00 30.42 H new ATOM 0 HD22 LEU A 89 0.253 -8.981 11.313 1.00 30.42 H new ATOM 0 HD23 LEU A 89 0.845 -7.748 12.451 1.00 30.42 H new ATOM 1250 N HIS A 90 5.609 -10.314 10.967 1.00 32.45 N ATOM 1251 CA HIS A 90 6.521 -10.260 9.831 1.00 33.03 C ATOM 1252 C HIS A 90 5.876 -11.000 8.659 1.00 71.10 C ATOM 1253 O HIS A 90 5.130 -11.951 8.903 1.00 23.45 O ATOM 1254 CB HIS A 90 7.843 -10.953 10.181 1.00 34.04 C ATOM 1255 CG HIS A 90 8.698 -10.227 11.187 1.00 42.24 C ATOM 1256 ND1 HIS A 90 9.825 -9.491 10.894 1.00 52.11 N ATOM 1257 CD2 HIS A 90 8.541 -10.233 12.546 1.00 24.20 C ATOM 1258 CE1 HIS A 90 10.333 -9.048 12.054 1.00 2.14 C ATOM 1259 NE2 HIS A 90 9.595 -9.489 13.090 1.00 51.25 N ATOM 0 H HIS A 90 5.226 -11.246 11.124 1.00 32.45 H new ATOM 0 HA HIS A 90 6.719 -9.220 9.573 1.00 33.03 H new ATOM 0 HB2 HIS A 90 7.623 -11.949 10.566 1.00 34.04 H new ATOM 0 HB3 HIS A 90 8.419 -11.085 9.265 1.00 34.04 H new ATOM 0 HD2 HIS A 90 7.751 -10.721 13.097 1.00 24.20 H new ATOM 0 HE1 HIS A 90 11.211 -8.425 12.144 1.00 2.14 H new ATOM 0 HE2 HIS A 90 9.770 -9.315 14.080 1.00 51.25 H new ATOM 1266 N PRO A 91 6.171 -10.631 7.403 1.00 12.15 N ATOM 1267 CA PRO A 91 5.730 -11.403 6.253 1.00 43.32 C ATOM 1268 C PRO A 91 6.544 -12.686 6.052 1.00 11.21 C ATOM 1269 O PRO A 91 7.665 -12.785 6.562 1.00 44.44 O ATOM 1270 CB PRO A 91 5.918 -10.461 5.067 1.00 65.33 C ATOM 1271 CG PRO A 91 7.086 -9.578 5.476 1.00 4.24 C ATOM 1272 CD PRO A 91 6.880 -9.430 6.983 1.00 33.15 C ATOM 0 HA PRO A 91 4.700 -11.738 6.379 1.00 43.32 H new ATOM 0 HB2 PRO A 91 6.136 -11.011 4.152 1.00 65.33 H new ATOM 0 HB3 PRO A 91 5.020 -9.872 4.879 1.00 65.33 H new ATOM 0 HG2 PRO A 91 8.045 -10.040 5.241 1.00 4.24 H new ATOM 0 HG3 PRO A 91 7.063 -8.614 4.967 1.00 4.24 H new ATOM 0 HD2 PRO A 91 7.834 -9.337 7.501 1.00 33.15 H new ATOM 0 HD3 PRO A 91 6.303 -8.534 7.213 1.00 33.15 H new ATOM 1277 N PRO A 92 6.028 -13.634 5.250 1.00 61.32 N ATOM 1278 CA PRO A 92 6.794 -14.778 4.779 1.00 45.44 C ATOM 1279 C PRO A 92 7.815 -14.361 3.719 1.00 41.40 C ATOM 1280 O PRO A 92 8.998 -14.658 3.873 1.00 42.23 O ATOM 1281 CB PRO A 92 5.762 -15.759 4.225 1.00 63.13 C ATOM 1282 CG PRO A 92 4.563 -14.894 3.834 1.00 12.35 C ATOM 1283 CD PRO A 92 4.639 -13.719 4.808 1.00 12.11 C ATOM 0 HA PRO A 92 7.378 -15.233 5.579 1.00 45.44 H new ATOM 0 HB2 PRO A 92 6.155 -16.301 3.365 1.00 63.13 H new ATOM 0 HB3 PRO A 92 5.485 -16.503 4.971 1.00 63.13 H new ATOM 0 HG2 PRO A 92 4.629 -14.562 2.798 1.00 12.35 H new ATOM 0 HG3 PRO A 92 3.625 -15.439 3.935 1.00 12.35 H new ATOM 0 HD2 PRO A 92 4.329 -12.793 4.323 1.00 12.11 H new ATOM 0 HD3 PRO A 92 3.971 -13.874 5.655 1.00 12.11 H new ATOM 1288 N LEU A 93 7.365 -13.674 2.661 1.00 53.40 N ATOM 1289 CA LEU A 93 8.170 -13.210 1.531 1.00 2.15 C ATOM 1290 C LEU A 93 9.245 -12.257 2.054 1.00 33.03 C ATOM 1291 O LEU A 93 8.937 -11.090 2.319 1.00 23.35 O ATOM 1292 CB LEU A 93 7.274 -12.478 0.496 1.00 53.22 C ATOM 1293 CG LEU A 93 6.860 -13.216 -0.782 1.00 73.02 C ATOM 1294 CD1 LEU A 93 8.070 -13.512 -1.665 1.00 53.20 C ATOM 1295 CD2 LEU A 93 6.035 -14.459 -0.468 1.00 50.34 C ATOM 0 H LEU A 93 6.383 -13.416 2.568 1.00 53.40 H new ATOM 0 HA LEU A 93 8.636 -14.064 1.039 1.00 2.15 H new ATOM 0 HB2 LEU A 93 6.362 -12.171 1.009 1.00 53.22 H new ATOM 0 HB3 LEU A 93 7.793 -11.568 0.197 1.00 53.22 H new ATOM 0 HG LEU A 93 6.209 -12.558 -1.358 1.00 73.02 H new ATOM 0 HD11 LEU A 93 7.745 -14.036 -2.564 1.00 53.20 H new ATOM 0 HD12 LEU A 93 8.554 -12.576 -1.945 1.00 53.20 H new ATOM 0 HD13 LEU A 93 8.776 -14.136 -1.117 1.00 53.20 H new ATOM 0 HD21 LEU A 93 5.759 -14.957 -1.398 1.00 50.34 H new ATOM 0 HD22 LEU A 93 6.623 -15.140 0.148 1.00 50.34 H new ATOM 0 HD23 LEU A 93 5.132 -14.170 0.071 1.00 50.34 H new ATOM 1306 N THR A 94 10.496 -12.699 2.163 1.00 31.22 N ATOM 1307 CA THR A 94 11.608 -11.848 2.546 1.00 41.52 C ATOM 1308 C THR A 94 12.846 -12.248 1.744 1.00 34.23 C ATOM 1309 O THR A 94 13.532 -13.231 2.033 1.00 61.14 O ATOM 1310 CB THR A 94 11.842 -11.890 4.056 1.00 10.15 C ATOM 1311 OG1 THR A 94 10.631 -11.734 4.766 1.00 32.02 O ATOM 1312 CG2 THR A 94 12.757 -10.750 4.500 1.00 34.41 C ATOM 0 H THR A 94 10.763 -13.667 1.985 1.00 31.22 H new ATOM 0 HA THR A 94 11.374 -10.810 2.310 1.00 41.52 H new ATOM 0 HB THR A 94 12.293 -12.859 4.269 1.00 10.15 H new ATOM 0 HG1 THR A 94 10.810 -11.766 5.729 1.00 32.02 H new ATOM 0 HG21 THR A 94 12.907 -10.803 5.578 1.00 34.41 H new ATOM 0 HG22 THR A 94 13.719 -10.838 3.995 1.00 34.41 H new ATOM 0 HG23 THR A 94 12.299 -9.795 4.244 1.00 34.41 H new ATOM 1320 N ILE A 95 13.122 -11.447 0.725 1.00 1.22 N ATOM 1321 CA ILE A 95 14.279 -11.533 -0.151 1.00 62.30 C ATOM 1322 C ILE A 95 15.409 -10.746 0.517 1.00 63.24 C ATOM 1323 O ILE A 95 15.139 -9.716 1.149 1.00 24.45 O ATOM 1324 CB ILE A 95 13.855 -11.038 -1.558 1.00 43.24 C ATOM 1325 CG1 ILE A 95 14.834 -11.399 -2.688 1.00 51.33 C ATOM 1326 CG2 ILE A 95 13.440 -9.562 -1.600 1.00 51.22 C ATOM 1327 CD1 ILE A 95 15.949 -10.388 -2.939 1.00 32.33 C ATOM 0 H ILE A 95 12.506 -10.674 0.474 1.00 1.22 H new ATOM 0 HA ILE A 95 14.654 -12.545 -0.300 1.00 62.30 H new ATOM 0 HB ILE A 95 12.953 -11.614 -1.763 1.00 43.24 H new ATOM 0 HG12 ILE A 95 15.287 -12.364 -2.458 1.00 51.33 H new ATOM 0 HG13 ILE A 95 14.267 -11.525 -3.610 1.00 51.33 H new ATOM 0 HG21 ILE A 95 13.158 -9.292 -2.618 1.00 51.22 H new ATOM 0 HG22 ILE A 95 12.592 -9.403 -0.934 1.00 51.22 H new ATOM 0 HG23 ILE A 95 14.275 -8.940 -1.278 1.00 51.22 H new ATOM 0 HD11 ILE A 95 16.581 -10.739 -3.755 1.00 32.33 H new ATOM 0 HD12 ILE A 95 15.514 -9.425 -3.206 1.00 32.33 H new ATOM 0 HD13 ILE A 95 16.550 -10.277 -2.036 1.00 32.33 H new ATOM 1338 N ASP A 96 16.650 -11.229 0.411 1.00 63.41 N ATOM 1339 CA ASP A 96 17.875 -10.686 1.024 1.00 50.53 C ATOM 1340 C ASP A 96 17.722 -10.451 2.539 1.00 25.24 C ATOM 1341 O ASP A 96 18.420 -9.617 3.118 1.00 41.31 O ATOM 1342 CB ASP A 96 18.384 -9.433 0.269 1.00 11.20 C ATOM 1343 CG ASP A 96 19.241 -9.717 -0.969 1.00 11.11 C ATOM 1344 OD1 ASP A 96 19.037 -10.749 -1.644 1.00 31.04 O ATOM 1345 OD2 ASP A 96 20.012 -8.819 -1.381 1.00 65.45 O ATOM 0 H ASP A 96 16.843 -12.065 -0.141 1.00 63.41 H new ATOM 0 HA ASP A 96 18.648 -11.447 0.921 1.00 50.53 H new ATOM 0 HB2 ASP A 96 17.523 -8.837 -0.034 1.00 11.20 H new ATOM 0 HB3 ASP A 96 18.965 -8.824 0.961 1.00 11.20 H new ATOM 1349 N GLY A 97 16.785 -11.135 3.209 1.00 5.21 N ATOM 1350 CA GLY A 97 16.469 -10.866 4.609 1.00 5.21 C ATOM 1351 C GLY A 97 16.016 -9.417 4.832 1.00 54.23 C ATOM 1352 O GLY A 97 16.233 -8.858 5.909 1.00 30.31 O ATOM 0 H GLY A 97 16.231 -11.885 2.795 1.00 5.21 H new ATOM 0 HA2 GLY A 97 15.684 -11.546 4.940 1.00 5.21 H new ATOM 0 HA3 GLY A 97 17.346 -11.070 5.223 1.00 5.21 H new ATOM 1356 N LYS A 98 15.443 -8.751 3.819 1.00 22.42 N ATOM 1357 CA LYS A 98 15.029 -7.351 3.894 1.00 43.35 C ATOM 1358 C LYS A 98 13.649 -7.271 4.515 1.00 34.31 C ATOM 1359 O LYS A 98 12.632 -7.286 3.817 1.00 42.53 O ATOM 1360 CB LYS A 98 15.114 -6.672 2.524 1.00 54.35 C ATOM 1361 CG LYS A 98 16.548 -6.600 2.015 1.00 1.21 C ATOM 1362 CD LYS A 98 17.441 -5.560 2.694 1.00 25.13 C ATOM 1363 CE LYS A 98 17.075 -4.141 2.248 1.00 30.10 C ATOM 1364 NZ LYS A 98 18.037 -3.149 2.775 1.00 34.21 N ATOM 0 H LYS A 98 15.253 -9.180 2.913 1.00 22.42 H new ATOM 0 HA LYS A 98 15.714 -6.798 4.536 1.00 43.35 H new ATOM 0 HB2 LYS A 98 14.502 -7.220 1.808 1.00 54.35 H new ATOM 0 HB3 LYS A 98 14.701 -5.665 2.591 1.00 54.35 H new ATOM 0 HG2 LYS A 98 17.007 -7.581 2.137 1.00 1.21 H new ATOM 0 HG3 LYS A 98 16.525 -6.389 0.946 1.00 1.21 H new ATOM 0 HD2 LYS A 98 17.340 -5.641 3.776 1.00 25.13 H new ATOM 0 HD3 LYS A 98 18.485 -5.761 2.455 1.00 25.13 H new ATOM 0 HE2 LYS A 98 17.058 -4.092 1.159 1.00 30.10 H new ATOM 0 HE3 LYS A 98 16.071 -3.896 2.593 1.00 30.10 H new ATOM 0 HZ1 LYS A 98 18.107 -2.348 2.115 1.00 34.21 H new ATOM 0 HZ2 LYS A 98 17.710 -2.807 3.701 1.00 34.21 H new ATOM 0 HZ3 LYS A 98 18.971 -3.593 2.880 1.00 34.21 H new ATOM 1374 N THR A 99 13.658 -7.287 5.832 1.00 51.34 N ATOM 1375 CA THR A 99 12.525 -7.214 6.742 1.00 53.25 C ATOM 1376 C THR A 99 11.851 -5.844 6.631 1.00 41.45 C ATOM 1377 O THR A 99 12.521 -4.818 6.553 1.00 24.34 O ATOM 1378 CB THR A 99 13.044 -7.492 8.166 1.00 50.41 C ATOM 1379 OG1 THR A 99 14.379 -7.035 8.314 1.00 10.32 O ATOM 1380 CG2 THR A 99 13.094 -8.996 8.441 1.00 62.35 C ATOM 0 H THR A 99 14.538 -7.358 6.343 1.00 51.34 H new ATOM 0 HA THR A 99 11.769 -7.958 6.489 1.00 53.25 H new ATOM 0 HB THR A 99 12.365 -6.980 8.848 1.00 50.41 H new ATOM 0 HG1 THR A 99 14.689 -7.219 9.225 1.00 10.32 H new ATOM 0 HG21 THR A 99 13.463 -9.169 9.452 1.00 62.35 H new ATOM 0 HG22 THR A 99 12.093 -9.417 8.343 1.00 62.35 H new ATOM 0 HG23 THR A 99 13.761 -9.475 7.724 1.00 62.35 H new ATOM 1388 N ILE A 100 10.522 -5.805 6.612 1.00 3.34 N ATOM 1389 CA ILE A 100 9.780 -4.587 6.298 1.00 62.32 C ATOM 1390 C ILE A 100 9.756 -3.693 7.539 1.00 45.24 C ATOM 1391 O ILE A 100 9.382 -4.132 8.630 1.00 13.12 O ATOM 1392 CB ILE A 100 8.374 -4.938 5.763 1.00 10.44 C ATOM 1393 CG1 ILE A 100 8.382 -6.169 4.831 1.00 42.15 C ATOM 1394 CG2 ILE A 100 7.770 -3.738 5.023 1.00 14.33 C ATOM 1395 CD1 ILE A 100 9.398 -6.119 3.679 1.00 52.12 C ATOM 0 H ILE A 100 9.931 -6.612 6.813 1.00 3.34 H new ATOM 0 HA ILE A 100 10.270 -4.028 5.501 1.00 62.32 H new ATOM 0 HB ILE A 100 7.763 -5.187 6.630 1.00 10.44 H new ATOM 0 HG12 ILE A 100 8.583 -7.056 5.431 1.00 42.15 H new ATOM 0 HG13 ILE A 100 7.385 -6.289 4.408 1.00 42.15 H new ATOM 0 HG21 ILE A 100 6.779 -4.001 4.652 1.00 14.33 H new ATOM 0 HG22 ILE A 100 7.689 -2.892 5.706 1.00 14.33 H new ATOM 0 HG23 ILE A 100 8.412 -3.467 4.185 1.00 14.33 H new ATOM 0 HD11 ILE A 100 9.321 -7.030 3.086 1.00 52.12 H new ATOM 0 HD12 ILE A 100 9.189 -5.256 3.047 1.00 52.12 H new ATOM 0 HD13 ILE A 100 10.406 -6.035 4.086 1.00 52.12 H new ATOM 1406 N ASN A 101 10.181 -2.440 7.369 1.00 14.51 N ATOM 1407 CA ASN A 101 10.061 -1.416 8.404 1.00 70.45 C ATOM 1408 C ASN A 101 8.621 -0.901 8.470 1.00 44.24 C ATOM 1409 O ASN A 101 7.810 -1.176 7.581 1.00 2.54 O ATOM 1410 CB ASN A 101 11.064 -0.283 8.141 1.00 31.14 C ATOM 1411 CG ASN A 101 12.321 -0.511 8.963 1.00 62.34 C ATOM 1412 OD1 ASN A 101 13.195 -1.279 8.584 1.00 70.33 O ATOM 1413 ND2 ASN A 101 12.431 0.137 10.104 1.00 42.33 N ATOM 0 H ASN A 101 10.618 -2.108 6.509 1.00 14.51 H new ATOM 0 HA ASN A 101 10.300 -1.849 9.375 1.00 70.45 H new ATOM 0 HB2 ASN A 101 11.313 -0.244 7.081 1.00 31.14 H new ATOM 0 HB3 ASN A 101 10.618 0.678 8.399 1.00 31.14 H new ATOM 0 HD21 ASN A 101 13.256 0.003 10.689 1.00 42.33 H new ATOM 0 HD22 ASN A 101 11.692 0.773 10.403 1.00 42.33 H new ATOM 1419 N VAL A 102 8.287 -0.145 9.516 1.00 52.52 N ATOM 1420 CA VAL A 102 6.909 0.197 9.855 1.00 41.14 C ATOM 1421 C VAL A 102 6.825 1.688 10.170 1.00 3.31 C ATOM 1422 O VAL A 102 7.370 2.143 11.180 1.00 70.35 O ATOM 1423 CB VAL A 102 6.413 -0.700 11.011 1.00 4.34 C ATOM 1424 CG1 VAL A 102 4.913 -0.527 11.217 1.00 64.12 C ATOM 1425 CG2 VAL A 102 6.596 -2.192 10.746 1.00 50.12 C ATOM 0 H VAL A 102 8.974 0.251 10.158 1.00 52.52 H new ATOM 0 HA VAL A 102 6.246 0.008 9.011 1.00 41.14 H new ATOM 0 HB VAL A 102 7.007 -0.390 11.871 1.00 4.34 H new ATOM 0 HG11 VAL A 102 4.582 -1.167 12.035 1.00 64.12 H new ATOM 0 HG12 VAL A 102 4.697 0.513 11.459 1.00 64.12 H new ATOM 0 HG13 VAL A 102 4.386 -0.804 10.304 1.00 64.12 H new ATOM 0 HG21 VAL A 102 6.226 -2.761 11.599 1.00 50.12 H new ATOM 0 HG22 VAL A 102 6.039 -2.474 9.853 1.00 50.12 H new ATOM 0 HG23 VAL A 102 7.654 -2.408 10.597 1.00 50.12 H new ATOM 1435 N GLU A 103 6.205 2.468 9.286 1.00 42.35 N ATOM 1436 CA GLU A 103 5.999 3.899 9.463 1.00 42.43 C ATOM 1437 C GLU A 103 4.815 4.343 8.603 1.00 54.21 C ATOM 1438 O GLU A 103 4.527 3.717 7.585 1.00 22.00 O ATOM 1439 CB GLU A 103 7.302 4.624 9.076 1.00 22.13 C ATOM 1440 CG GLU A 103 7.398 6.037 9.656 1.00 43.43 C ATOM 1441 CD GLU A 103 8.764 6.657 9.363 1.00 42.35 C ATOM 1442 OE1 GLU A 103 9.807 6.107 9.792 1.00 30.33 O ATOM 1443 OE2 GLU A 103 8.811 7.732 8.718 1.00 32.21 O ATOM 0 H GLU A 103 5.825 2.112 8.409 1.00 42.35 H new ATOM 0 HA GLU A 103 5.763 4.144 10.499 1.00 42.43 H new ATOM 0 HB2 GLU A 103 8.153 4.037 9.421 1.00 22.13 H new ATOM 0 HB3 GLU A 103 7.372 4.678 7.990 1.00 22.13 H new ATOM 0 HG2 GLU A 103 6.612 6.662 9.232 1.00 43.43 H new ATOM 0 HG3 GLU A 103 7.233 6.004 10.733 1.00 43.43 H new ATOM 1448 N PHE A 104 4.142 5.431 8.976 1.00 63.21 N ATOM 1449 CA PHE A 104 3.162 6.091 8.119 1.00 21.33 C ATOM 1450 C PHE A 104 3.570 7.541 7.883 1.00 70.05 C ATOM 1451 O PHE A 104 4.349 8.111 8.649 1.00 64.03 O ATOM 1452 CB PHE A 104 1.733 5.895 8.645 1.00 51.43 C ATOM 1453 CG PHE A 104 1.468 6.204 10.095 1.00 63.01 C ATOM 1454 CD1 PHE A 104 1.769 7.462 10.629 1.00 50.32 C ATOM 1455 CD2 PHE A 104 0.914 5.209 10.912 1.00 4.12 C ATOM 1456 CE1 PHE A 104 1.629 7.680 12.009 1.00 14.34 C ATOM 1457 CE2 PHE A 104 0.796 5.407 12.293 1.00 1.53 C ATOM 1458 CZ PHE A 104 1.187 6.637 12.848 1.00 13.33 C ATOM 0 H PHE A 104 4.263 5.880 9.884 1.00 63.21 H new ATOM 0 HA PHE A 104 3.152 5.620 7.136 1.00 21.33 H new ATOM 0 HB2 PHE A 104 1.067 6.514 8.044 1.00 51.43 H new ATOM 0 HB3 PHE A 104 1.450 4.857 8.467 1.00 51.43 H new ATOM 0 HD1 PHE A 104 2.107 8.260 9.984 1.00 50.32 H new ATOM 0 HD2 PHE A 104 0.575 4.282 10.473 1.00 4.12 H new ATOM 0 HE1 PHE A 104 1.860 8.648 12.428 1.00 14.34 H new ATOM 0 HE2 PHE A 104 0.408 4.622 12.925 1.00 1.53 H new ATOM 0 HZ PHE A 104 1.149 6.783 13.917 1.00 13.33 H new ATOM 1467 N ALA A 105 3.010 8.153 6.841 1.00 41.51 N ATOM 1468 CA ALA A 105 3.348 9.483 6.340 1.00 5.11 C ATOM 1469 C ALA A 105 2.161 10.447 6.480 1.00 24.33 C ATOM 1470 O ALA A 105 2.067 11.438 5.752 1.00 1.14 O ATOM 1471 CB ALA A 105 3.818 9.351 4.884 1.00 65.32 C ATOM 0 H ALA A 105 2.270 7.711 6.296 1.00 41.51 H new ATOM 0 HA ALA A 105 4.156 9.909 6.935 1.00 5.11 H new ATOM 0 HB1 ALA A 105 4.075 10.336 4.494 1.00 65.32 H new ATOM 0 HB2 ALA A 105 4.694 8.704 4.842 1.00 65.32 H new ATOM 0 HB3 ALA A 105 3.019 8.919 4.281 1.00 65.32 H new ATOM 1477 N LYS A 106 1.220 10.136 7.379 1.00 63.01 N ATOM 1478 CA LYS A 106 0.099 11.017 7.684 1.00 45.54 C ATOM 1479 C LYS A 106 0.599 12.360 8.212 1.00 65.23 C ATOM 1480 O LYS A 106 1.741 12.449 8.672 1.00 13.22 O ATOM 1481 CB LYS A 106 -0.884 10.316 8.642 1.00 64.14 C ATOM 1482 CG LYS A 106 -0.529 10.197 10.138 1.00 21.14 C ATOM 1483 CD LYS A 106 -0.660 11.537 10.869 1.00 10.22 C ATOM 1484 CE LYS A 106 -1.097 11.509 12.335 1.00 24.30 C ATOM 1485 NZ LYS A 106 -0.085 10.939 13.245 1.00 62.24 N ATOM 0 H LYS A 106 1.219 9.266 7.912 1.00 63.01 H new ATOM 0 HA LYS A 106 -0.454 11.234 6.770 1.00 45.54 H new ATOM 0 HB2 LYS A 106 -1.837 10.840 8.573 1.00 64.14 H new ATOM 0 HB3 LYS A 106 -1.046 9.307 8.263 1.00 64.14 H new ATOM 0 HG2 LYS A 106 -1.183 9.462 10.608 1.00 21.14 H new ATOM 0 HG3 LYS A 106 0.491 9.827 10.240 1.00 21.14 H new ATOM 0 HD2 LYS A 106 0.304 12.043 10.816 1.00 10.22 H new ATOM 0 HD3 LYS A 106 -1.373 12.151 10.318 1.00 10.22 H new ATOM 0 HE2 LYS A 106 -1.330 12.525 12.655 1.00 24.30 H new ATOM 0 HE3 LYS A 106 -2.016 10.930 12.420 1.00 24.30 H new ATOM 0 HZ1 LYS A 106 -0.448 10.952 14.220 1.00 62.24 H new ATOM 0 HZ2 LYS A 106 0.121 9.959 12.965 1.00 62.24 H new ATOM 0 HZ3 LYS A 106 0.786 11.504 13.193 1.00 62.24 H new ATOM 1495 N GLY A 107 -0.285 13.354 8.237 1.00 63.34 N ATOM 1496 CA GLY A 107 -0.007 14.654 8.814 1.00 53.23 C ATOM 1497 C GLY A 107 -0.909 14.912 10.013 1.00 70.55 C ATOM 1498 O GLY A 107 -0.630 14.456 11.118 1.00 24.42 O ATOM 0 H GLY A 107 -1.225 13.272 7.850 1.00 63.34 H new ATOM 0 HA2 GLY A 107 1.038 14.706 9.120 1.00 53.23 H new ATOM 0 HA3 GLY A 107 -0.159 15.431 8.064 1.00 53.23 H new ATOM 1502 N SER A 108 -2.028 15.607 9.817 1.00 44.43 N ATOM 1503 CA SER A 108 -3.055 15.741 10.838 1.00 11.03 C ATOM 1504 C SER A 108 -4.346 16.179 10.156 1.00 34.42 C ATOM 1505 O SER A 108 -4.308 17.014 9.246 1.00 70.12 O ATOM 1506 CB SER A 108 -2.611 16.780 11.874 1.00 71.44 C ATOM 1507 OG SER A 108 -3.472 16.813 12.994 1.00 13.12 O ATOM 0 H SER A 108 -2.244 16.091 8.946 1.00 44.43 H new ATOM 0 HA SER A 108 -3.217 14.794 11.352 1.00 11.03 H new ATOM 0 HB2 SER A 108 -1.597 16.553 12.203 1.00 71.44 H new ATOM 0 HB3 SER A 108 -2.583 17.766 11.410 1.00 71.44 H new ATOM 0 HG SER A 108 -3.154 17.486 13.631 1.00 13.12 H new ATOM 1512 N LYS A 109 -5.474 15.628 10.613 1.00 14.42 N ATOM 1513 CA LYS A 109 -6.832 16.112 10.379 1.00 24.31 C ATOM 1514 C LYS A 109 -7.736 15.376 11.350 1.00 2.44 C ATOM 1515 O LYS A 109 -7.690 14.146 11.430 1.00 32.23 O ATOM 1516 CB LYS A 109 -7.291 15.882 8.923 1.00 5.23 C ATOM 1517 CG LYS A 109 -7.207 17.180 8.098 1.00 50.23 C ATOM 1518 CD LYS A 109 -6.737 16.957 6.658 1.00 41.03 C ATOM 1519 CE LYS A 109 -7.850 16.451 5.737 1.00 3.21 C ATOM 1520 NZ LYS A 109 -7.293 16.101 4.414 1.00 14.41 N ATOM 0 H LYS A 109 -5.460 14.786 11.188 1.00 14.42 H new ATOM 0 HA LYS A 109 -6.873 17.190 10.538 1.00 24.31 H new ATOM 0 HB2 LYS A 109 -6.671 15.114 8.461 1.00 5.23 H new ATOM 0 HB3 LYS A 109 -8.316 15.510 8.917 1.00 5.23 H new ATOM 0 HG2 LYS A 109 -8.188 17.656 8.083 1.00 50.23 H new ATOM 0 HG3 LYS A 109 -6.525 17.872 8.592 1.00 50.23 H new ATOM 0 HD2 LYS A 109 -6.342 17.892 6.262 1.00 41.03 H new ATOM 0 HD3 LYS A 109 -5.917 16.239 6.656 1.00 41.03 H new ATOM 0 HE2 LYS A 109 -8.331 15.579 6.180 1.00 3.21 H new ATOM 0 HE3 LYS A 109 -8.618 17.217 5.626 1.00 3.21 H new ATOM 0 HZ1 LYS A 109 -7.604 16.800 3.710 1.00 14.41 H new ATOM 0 HZ2 LYS A 109 -6.254 16.099 4.464 1.00 14.41 H new ATOM 0 HZ3 LYS A 109 -7.628 15.157 4.135 1.00 14.41 H new ATOM 1530 N ARG A 110 -8.548 16.126 12.091 1.00 50.41 N ATOM 1531 CA ARG A 110 -9.625 15.605 12.917 1.00 33.51 C ATOM 1532 C ARG A 110 -10.758 16.622 12.954 1.00 64.53 C ATOM 1533 O ARG A 110 -10.519 17.808 12.719 1.00 22.32 O ATOM 1534 CB ARG A 110 -9.117 15.263 14.328 1.00 23.30 C ATOM 1535 CG ARG A 110 -8.430 16.394 15.119 1.00 30.20 C ATOM 1536 CD ARG A 110 -9.098 16.642 16.484 1.00 65.35 C ATOM 1537 NE ARG A 110 -10.447 17.214 16.361 1.00 50.01 N ATOM 1538 CZ ARG A 110 -10.727 18.486 16.040 1.00 61.22 C ATOM 1539 NH1 ARG A 110 -9.773 19.399 15.920 1.00 44.14 N ATOM 1540 NH2 ARG A 110 -11.987 18.861 15.849 1.00 41.12 N ATOM 0 H ARG A 110 -8.469 17.142 12.132 1.00 50.41 H new ATOM 0 HA ARG A 110 -10.002 14.678 12.486 1.00 33.51 H new ATOM 0 HB2 ARG A 110 -9.963 14.905 14.915 1.00 23.30 H new ATOM 0 HB3 ARG A 110 -8.414 14.434 14.243 1.00 23.30 H new ATOM 0 HG2 ARG A 110 -7.380 16.142 15.271 1.00 30.20 H new ATOM 0 HG3 ARG A 110 -8.456 17.312 14.532 1.00 30.20 H new ATOM 0 HD2 ARG A 110 -9.155 15.701 17.032 1.00 65.35 H new ATOM 0 HD3 ARG A 110 -8.475 17.316 17.072 1.00 65.35 H new ATOM 0 HE ARG A 110 -11.236 16.591 16.534 1.00 50.01 H new ATOM 0 HH11 ARG A 110 -8.798 19.141 16.073 1.00 44.14 H new ATOM 0 HH12 ARG A 110 -10.014 20.359 15.675 1.00 44.14 H new ATOM 0 HH21 ARG A 110 -12.742 18.182 15.946 1.00 41.12 H new ATOM 0 HH22 ARG A 110 -12.200 19.828 15.605 1.00 41.12 H new ATOM 1551 N ASP A 111 -11.969 16.172 13.279 1.00 22.34 N ATOM 1552 CA ASP A 111 -13.184 16.977 13.410 1.00 25.44 C ATOM 1553 C ASP A 111 -14.072 16.317 14.468 1.00 5.33 C ATOM 1554 O ASP A 111 -13.920 15.121 14.725 1.00 54.11 O ATOM 1555 CB ASP A 111 -13.935 17.056 12.076 1.00 23.42 C ATOM 1556 CG ASP A 111 -13.370 18.128 11.140 1.00 4.31 C ATOM 1557 OD1 ASP A 111 -13.547 19.333 11.446 1.00 71.11 O ATOM 1558 OD2 ASP A 111 -12.863 17.776 10.050 1.00 44.23 O ATOM 0 H ASP A 111 -12.139 15.184 13.468 1.00 22.34 H new ATOM 0 HA ASP A 111 -12.922 17.993 13.704 1.00 25.44 H new ATOM 0 HB2 ASP A 111 -13.889 16.086 11.580 1.00 23.42 H new ATOM 0 HB3 ASP A 111 -14.987 17.266 12.268 1.00 23.42 H new ATOM 1562 N MET A 112 -14.998 17.068 15.074 1.00 1.11 N ATOM 1563 CA MET A 112 -16.012 16.558 16.001 1.00 13.14 C ATOM 1564 C MET A 112 -17.170 17.565 16.040 1.00 33.31 C ATOM 1565 O MET A 112 -16.924 18.765 15.901 1.00 51.24 O ATOM 1566 CB MET A 112 -15.390 16.386 17.400 1.00 10.02 C ATOM 1567 CG MET A 112 -16.319 15.628 18.355 1.00 72.33 C ATOM 1568 SD MET A 112 -15.745 15.550 20.067 1.00 11.12 S ATOM 1569 CE MET A 112 -14.476 14.273 19.913 1.00 70.31 C ATOM 0 H MET A 112 -15.064 18.075 14.928 1.00 1.11 H new ATOM 0 HA MET A 112 -16.383 15.587 15.674 1.00 13.14 H new ATOM 0 HB2 MET A 112 -14.445 15.850 17.313 1.00 10.02 H new ATOM 0 HB3 MET A 112 -15.163 17.367 17.818 1.00 10.02 H new ATOM 0 HG2 MET A 112 -17.301 16.102 18.337 1.00 72.33 H new ATOM 0 HG3 MET A 112 -16.448 14.612 17.983 1.00 72.33 H new ATOM 0 HE1 MET A 112 -14.016 14.098 20.885 1.00 70.31 H new ATOM 0 HE2 MET A 112 -14.931 13.349 19.556 1.00 70.31 H new ATOM 0 HE3 MET A 112 -13.715 14.600 19.205 1.00 70.31 H new ATOM 1577 N ALA A 113 -18.406 17.120 16.289 1.00 62.31 N ATOM 1578 CA ALA A 113 -19.611 17.954 16.315 1.00 63.45 C ATOM 1579 C ALA A 113 -20.404 17.718 17.606 1.00 10.33 C ATOM 1580 O ALA A 113 -20.249 16.663 18.224 1.00 14.42 O ATOM 1581 CB ALA A 113 -20.462 17.603 15.090 1.00 71.45 C ATOM 0 H ALA A 113 -18.601 16.138 16.484 1.00 62.31 H new ATOM 0 HA ALA A 113 -19.334 19.008 16.288 1.00 63.45 H new ATOM 0 HB1 ALA A 113 -21.366 18.212 15.088 1.00 71.45 H new ATOM 0 HB2 ALA A 113 -19.891 17.798 14.182 1.00 71.45 H new ATOM 0 HB3 ALA A 113 -20.735 16.549 15.127 1.00 71.45 H new ATOM 1587 N SER A 114 -21.269 18.659 18.000 1.00 54.04 N ATOM 1588 CA SER A 114 -22.063 18.591 19.228 1.00 4.21 C ATOM 1589 C SER A 114 -23.409 19.296 19.019 1.00 54.02 C ATOM 1590 O SER A 114 -23.543 20.062 18.063 1.00 22.34 O ATOM 1591 CB SER A 114 -21.278 19.286 20.354 1.00 33.10 C ATOM 1592 OG SER A 114 -21.650 18.780 21.619 1.00 73.34 O ATOM 0 H SER A 114 -21.439 19.508 17.460 1.00 54.04 H new ATOM 0 HA SER A 114 -22.253 17.551 19.492 1.00 4.21 H new ATOM 0 HB2 SER A 114 -20.209 19.140 20.200 1.00 33.10 H new ATOM 0 HB3 SER A 114 -21.461 20.360 20.320 1.00 33.10 H new ATOM 0 HG SER A 114 -21.136 19.236 22.318 1.00 73.34 H new ATOM 1597 N ASN A 115 -24.375 19.098 19.922 1.00 43.45 N ATOM 1598 CA ASN A 115 -25.600 19.894 20.050 1.00 52.14 C ATOM 1599 C ASN A 115 -26.193 19.628 21.446 1.00 71.52 C ATOM 1600 O ASN A 115 -25.451 19.285 22.371 1.00 41.11 O ATOM 1601 CB ASN A 115 -26.580 19.607 18.893 1.00 72.55 C ATOM 1602 CG ASN A 115 -27.715 20.624 18.837 1.00 54.11 C ATOM 1603 OD1 ASN A 115 -27.483 21.825 18.896 1.00 23.22 O ATOM 1604 ND2 ASN A 115 -28.954 20.164 18.809 1.00 10.44 N ATOM 0 H ASN A 115 -24.323 18.348 20.612 1.00 43.45 H new ATOM 0 HA ASN A 115 -25.382 20.959 19.968 1.00 52.14 H new ATOM 0 HB2 ASN A 115 -26.037 19.618 17.948 1.00 72.55 H new ATOM 0 HB3 ASN A 115 -26.996 18.606 19.011 1.00 72.55 H new ATOM 0 HD21 ASN A 115 -29.740 20.814 18.837 1.00 10.44 H new ATOM 0 HD22 ASN A 115 -29.124 19.159 18.760 1.00 10.44 H new ATOM 1610 N GLU A 116 -27.505 19.799 21.628 1.00 74.53 N ATOM 1611 CA GLU A 116 -28.243 19.589 22.868 1.00 32.32 C ATOM 1612 C GLU A 116 -28.057 18.166 23.411 1.00 71.34 C ATOM 1613 O GLU A 116 -27.814 17.216 22.658 1.00 34.22 O ATOM 1614 CB GLU A 116 -29.748 19.744 22.602 1.00 31.50 C ATOM 1615 CG GLU A 116 -30.239 21.064 21.993 1.00 32.50 C ATOM 1616 CD GLU A 116 -31.519 20.775 21.203 1.00 25.31 C ATOM 1617 OE1 GLU A 116 -32.525 20.397 21.840 1.00 4.32 O ATOM 1618 OE2 GLU A 116 -31.436 20.745 19.952 1.00 70.54 O ATOM 0 H GLU A 116 -28.112 20.105 20.868 1.00 74.53 H new ATOM 0 HA GLU A 116 -27.866 20.319 23.584 1.00 32.32 H new ATOM 0 HB2 GLU A 116 -30.055 18.935 21.939 1.00 31.50 H new ATOM 0 HB3 GLU A 116 -30.271 19.597 23.547 1.00 31.50 H new ATOM 0 HG2 GLU A 116 -30.432 21.796 22.777 1.00 32.50 H new ATOM 0 HG3 GLU A 116 -29.477 21.489 21.340 1.00 32.50 H new ATOM 1623 N GLY A 117 -28.314 17.998 24.712 1.00 63.53 N ATOM 1624 CA GLY A 117 -28.399 16.700 25.367 1.00 24.54 C ATOM 1625 C GLY A 117 -29.828 16.156 25.472 1.00 51.12 C ATOM 1626 O GLY A 117 -29.994 15.026 25.922 1.00 11.22 O ATOM 0 H GLY A 117 -28.471 18.780 25.348 1.00 63.53 H new ATOM 0 HA2 GLY A 117 -27.787 15.985 24.818 1.00 24.54 H new ATOM 0 HA3 GLY A 117 -27.975 16.780 26.368 1.00 24.54 H new ATOM 1630 N SER A 118 -30.856 16.914 25.070 1.00 4.12 N ATOM 1631 CA SER A 118 -32.257 16.503 25.139 1.00 62.34 C ATOM 1632 C SER A 118 -32.878 16.562 23.739 1.00 14.42 C ATOM 1633 O SER A 118 -32.217 16.895 22.755 1.00 53.34 O ATOM 1634 CB SER A 118 -33.015 17.373 26.163 1.00 63.15 C ATOM 1635 OG SER A 118 -34.315 16.855 26.413 1.00 41.03 O ATOM 0 H SER A 118 -30.731 17.848 24.680 1.00 4.12 H new ATOM 0 HA SER A 118 -32.329 15.472 25.485 1.00 62.34 H new ATOM 0 HB2 SER A 118 -32.452 17.416 27.095 1.00 63.15 H new ATOM 0 HB3 SER A 118 -33.093 18.394 25.790 1.00 63.15 H new ATOM 0 HG SER A 118 -34.944 17.596 26.538 1.00 41.03 H new ATOM 1640 N ARG A 119 -34.154 16.184 23.662 1.00 64.15 N ATOM 1641 CA ARG A 119 -35.100 16.483 22.593 1.00 53.01 C ATOM 1642 C ARG A 119 -36.543 16.461 23.126 1.00 34.34 C ATOM 1643 O ARG A 119 -37.463 16.236 22.344 1.00 61.52 O ATOM 1644 CB ARG A 119 -34.880 15.507 21.424 1.00 51.31 C ATOM 1645 CG ARG A 119 -35.232 14.032 21.721 1.00 44.04 C ATOM 1646 CD ARG A 119 -36.285 13.432 20.763 1.00 10.12 C ATOM 1647 NE ARG A 119 -35.725 12.372 19.890 1.00 41.44 N ATOM 1648 CZ ARG A 119 -34.914 12.549 18.835 1.00 74.34 C ATOM 1649 NH1 ARG A 119 -34.611 13.783 18.441 1.00 25.32 N ATOM 1650 NH2 ARG A 119 -34.399 11.502 18.188 1.00 30.22 N ATOM 0 H ARG A 119 -34.581 15.621 24.398 1.00 64.15 H new ATOM 0 HA ARG A 119 -34.927 17.491 22.216 1.00 53.01 H new ATOM 0 HB2 ARG A 119 -35.476 15.842 20.575 1.00 51.31 H new ATOM 0 HB3 ARG A 119 -33.835 15.560 21.120 1.00 51.31 H new ATOM 0 HG2 ARG A 119 -34.322 13.434 21.665 1.00 44.04 H new ATOM 0 HG3 ARG A 119 -35.601 13.956 22.744 1.00 44.04 H new ATOM 0 HD2 ARG A 119 -37.108 13.019 21.346 1.00 10.12 H new ATOM 0 HD3 ARG A 119 -36.701 14.226 20.143 1.00 10.12 H new ATOM 0 HE ARG A 119 -35.982 11.411 20.114 1.00 41.44 H new ATOM 0 HH11 ARG A 119 -34.994 14.586 18.940 1.00 25.32 H new ATOM 0 HH12 ARG A 119 -33.995 13.926 17.640 1.00 25.32 H new ATOM 0 HH21 ARG A 119 -34.620 10.554 18.494 1.00 30.22 H new ATOM 0 HH22 ARG A 119 -33.784 11.649 17.388 1.00 30.22 H new ATOM 1661 N ILE A 120 -36.747 16.575 24.446 1.00 53.13 N ATOM 1662 CA ILE A 120 -38.046 16.483 25.112 1.00 32.53 C ATOM 1663 C ILE A 120 -38.104 17.496 26.258 1.00 50.24 C ATOM 1664 O ILE A 120 -37.067 18.008 26.688 1.00 22.44 O ATOM 1665 CB ILE A 120 -38.315 15.050 25.642 1.00 3.20 C ATOM 1666 CG1 ILE A 120 -37.204 14.548 26.595 1.00 63.12 C ATOM 1667 CG2 ILE A 120 -38.553 14.077 24.475 1.00 31.41 C ATOM 1668 CD1 ILE A 120 -37.584 13.274 27.359 1.00 22.50 C ATOM 0 H ILE A 120 -35.981 16.740 25.100 1.00 53.13 H new ATOM 0 HA ILE A 120 -38.823 16.712 24.383 1.00 32.53 H new ATOM 0 HB ILE A 120 -39.225 15.091 26.241 1.00 3.20 H new ATOM 0 HG12 ILE A 120 -36.299 14.360 26.018 1.00 63.12 H new ATOM 0 HG13 ILE A 120 -36.968 15.335 27.311 1.00 63.12 H new ATOM 0 HG21 ILE A 120 -38.740 13.077 24.867 1.00 31.41 H new ATOM 0 HG22 ILE A 120 -39.416 14.407 23.896 1.00 31.41 H new ATOM 0 HG23 ILE A 120 -37.672 14.056 23.833 1.00 31.41 H new ATOM 0 HD11 ILE A 120 -36.759 12.979 28.008 1.00 22.50 H new ATOM 0 HD12 ILE A 120 -38.471 13.463 27.963 1.00 22.50 H new ATOM 0 HD13 ILE A 120 -37.792 12.473 26.650 1.00 22.50 H new ATOM 1679 N SER A 121 -39.322 17.741 26.746 1.00 32.10 N ATOM 1680 CA SER A 121 -39.609 18.419 27.998 1.00 3.40 C ATOM 1681 C SER A 121 -39.581 17.399 29.151 1.00 73.34 C ATOM 1682 O SER A 121 -39.277 16.223 28.940 1.00 30.33 O ATOM 1683 CB SER A 121 -40.975 19.102 27.864 1.00 50.32 C ATOM 1684 OG SER A 121 -41.154 20.079 28.870 1.00 31.51 O ATOM 0 H SER A 121 -40.168 17.457 26.252 1.00 32.10 H new ATOM 0 HA SER A 121 -38.859 19.178 28.221 1.00 3.40 H new ATOM 0 HB2 SER A 121 -41.058 19.567 26.882 1.00 50.32 H new ATOM 0 HB3 SER A 121 -41.767 18.356 27.932 1.00 50.32 H new ATOM 0 HG SER A 121 -42.031 20.502 28.763 1.00 31.51 H new ATOM 1689 N ALA A 122 -39.927 17.847 30.359 1.00 65.14 N ATOM 1690 CA ALA A 122 -40.107 17.045 31.565 1.00 13.12 C ATOM 1691 C ALA A 122 -41.402 17.488 32.262 1.00 34.40 C ATOM 1692 O ALA A 122 -42.064 18.411 31.785 1.00 45.35 O ATOM 1693 CB ALA A 122 -38.881 17.217 32.476 1.00 73.43 C ATOM 0 H ALA A 122 -40.099 18.838 30.529 1.00 65.14 H new ATOM 0 HA ALA A 122 -40.194 15.987 31.320 1.00 13.12 H new ATOM 0 HB1 ALA A 122 -39.011 16.619 33.378 1.00 73.43 H new ATOM 0 HB2 ALA A 122 -37.986 16.887 31.948 1.00 73.43 H new ATOM 0 HB3 ALA A 122 -38.775 18.267 32.748 1.00 73.43 H new ATOM 1699 N ALA A 123 -41.761 16.839 33.378 1.00 61.15 N ATOM 1700 CA ALA A 123 -42.861 17.257 34.245 1.00 70.53 C ATOM 1701 C ALA A 123 -42.471 17.004 35.703 1.00 30.23 C ATOM 1702 O ALA A 123 -41.924 17.896 36.343 1.00 12.12 O ATOM 1703 CB ALA A 123 -44.163 16.546 33.842 1.00 32.32 C ATOM 0 H ALA A 123 -41.286 15.998 33.705 1.00 61.15 H new ATOM 0 HA ALA A 123 -43.048 18.325 34.131 1.00 70.53 H new ATOM 0 HB1 ALA A 123 -44.972 16.869 34.498 1.00 32.32 H new ATOM 0 HB2 ALA A 123 -44.410 16.797 32.810 1.00 32.32 H new ATOM 0 HB3 ALA A 123 -44.032 15.468 33.932 1.00 32.32 H new ATOM 1709 N SER A 124 -42.680 15.793 36.221 1.00 25.12 N ATOM 1710 CA SER A 124 -42.368 15.425 37.596 1.00 30.43 C ATOM 1711 C SER A 124 -42.219 13.897 37.688 1.00 74.54 C ATOM 1712 O SER A 124 -42.485 13.182 36.719 1.00 3.00 O ATOM 1713 CB SER A 124 -43.493 15.966 38.497 1.00 21.22 C ATOM 1714 OG SER A 124 -44.788 15.651 38.004 1.00 43.04 O ATOM 0 H SER A 124 -43.080 15.026 35.681 1.00 25.12 H new ATOM 0 HA SER A 124 -41.425 15.858 37.928 1.00 30.43 H new ATOM 0 HB2 SER A 124 -43.380 15.554 39.500 1.00 21.22 H new ATOM 0 HB3 SER A 124 -43.395 17.048 38.584 1.00 21.22 H new ATOM 0 HG SER A 124 -45.466 16.014 38.611 1.00 43.04 H new ATOM 1719 N VAL A 125 -41.774 13.397 38.841 1.00 52.22 N ATOM 1720 CA VAL A 125 -41.674 11.993 39.197 1.00 33.53 C ATOM 1721 C VAL A 125 -42.087 11.911 40.678 1.00 72.41 C ATOM 1722 O VAL A 125 -41.832 12.829 41.455 1.00 65.52 O ATOM 1723 CB VAL A 125 -40.227 11.515 38.959 1.00 53.44 C ATOM 1724 CG1 VAL A 125 -39.994 10.103 39.501 1.00 1.01 C ATOM 1725 CG2 VAL A 125 -39.840 11.526 37.474 1.00 1.11 C ATOM 0 H VAL A 125 -41.455 14.006 39.595 1.00 52.22 H new ATOM 0 HA VAL A 125 -42.316 11.348 38.597 1.00 33.53 H new ATOM 0 HB VAL A 125 -39.601 12.226 39.498 1.00 53.44 H new ATOM 0 HG11 VAL A 125 -38.962 9.806 39.312 1.00 1.01 H new ATOM 0 HG12 VAL A 125 -40.185 10.089 40.574 1.00 1.01 H new ATOM 0 HG13 VAL A 125 -40.669 9.406 39.003 1.00 1.01 H new ATOM 0 HG21 VAL A 125 -38.812 11.181 37.363 1.00 1.11 H new ATOM 0 HG22 VAL A 125 -40.506 10.865 36.919 1.00 1.11 H new ATOM 0 HG23 VAL A 125 -39.926 12.540 37.083 1.00 1.11 H new ATOM 1735 N ALA A 126 -42.765 10.840 41.075 1.00 30.51 N ATOM 1736 CA ALA A 126 -43.186 10.573 42.437 1.00 13.34 C ATOM 1737 C ALA A 126 -43.100 9.071 42.676 1.00 32.40 C ATOM 1738 O ALA A 126 -44.113 8.392 42.789 1.00 50.43 O ATOM 1739 CB ALA A 126 -44.587 11.135 42.701 1.00 73.33 C ATOM 0 H ALA A 126 -43.046 10.106 40.425 1.00 30.51 H new ATOM 0 HA ALA A 126 -42.528 11.078 43.144 1.00 13.34 H new ATOM 0 HB1 ALA A 126 -44.877 10.920 43.730 1.00 73.33 H new ATOM 0 HB2 ALA A 126 -44.582 12.213 42.543 1.00 73.33 H new ATOM 0 HB3 ALA A 126 -45.300 10.671 42.019 1.00 73.33 H new ATOM 1745 N SER A 127 -41.884 8.538 42.754 1.00 65.01 N ATOM 1746 CA SER A 127 -41.645 7.108 42.903 1.00 51.25 C ATOM 1747 C SER A 127 -40.406 6.882 43.767 1.00 52.34 C ATOM 1748 O SER A 127 -39.415 6.315 43.316 1.00 72.43 O ATOM 1749 CB SER A 127 -41.564 6.458 41.512 1.00 50.13 C ATOM 1750 OG SER A 127 -40.589 7.096 40.708 1.00 73.14 O ATOM 0 H SER A 127 -41.029 9.093 42.715 1.00 65.01 H new ATOM 0 HA SER A 127 -42.471 6.624 43.424 1.00 51.25 H new ATOM 0 HB2 SER A 127 -41.320 5.401 41.615 1.00 50.13 H new ATOM 0 HB3 SER A 127 -42.537 6.515 41.023 1.00 50.13 H new ATOM 0 HG SER A 127 -39.721 7.068 41.162 1.00 73.14 H new ATOM 1755 N THR A 128 -40.434 7.385 44.997 1.00 72.01 N ATOM 1756 CA THR A 128 -39.457 7.071 46.031 1.00 25.03 C ATOM 1757 C THR A 128 -40.151 7.237 47.393 1.00 2.50 C ATOM 1758 O THR A 128 -41.334 7.581 47.451 1.00 51.45 O ATOM 1759 CB THR A 128 -38.181 7.926 45.851 1.00 13.30 C ATOM 1760 OG1 THR A 128 -37.147 7.408 46.663 1.00 32.41 O ATOM 1761 CG2 THR A 128 -38.381 9.416 46.158 1.00 61.42 C ATOM 0 H THR A 128 -41.154 8.037 45.309 1.00 72.01 H new ATOM 0 HA THR A 128 -39.108 6.041 45.961 1.00 25.03 H new ATOM 0 HB THR A 128 -37.916 7.865 44.795 1.00 13.30 H new ATOM 0 HG1 THR A 128 -36.338 7.949 46.547 1.00 32.41 H new ATOM 0 HG21 THR A 128 -37.441 9.948 46.009 1.00 61.42 H new ATOM 0 HG22 THR A 128 -39.140 9.826 45.492 1.00 61.42 H new ATOM 0 HG23 THR A 128 -38.704 9.534 47.192 1.00 61.42 H new ATOM 1769 N ALA A 129 -39.431 6.994 48.486 1.00 73.01 N ATOM 1770 CA ALA A 129 -39.845 7.201 49.866 1.00 63.03 C ATOM 1771 C ALA A 129 -38.653 7.777 50.641 1.00 73.03 C ATOM 1772 O ALA A 129 -37.598 8.035 50.061 1.00 14.13 O ATOM 1773 CB ALA A 129 -40.326 5.871 50.467 1.00 10.12 C ATOM 0 H ALA A 129 -38.483 6.624 48.424 1.00 73.01 H new ATOM 0 HA ALA A 129 -40.677 7.903 49.924 1.00 63.03 H new ATOM 0 HB1 ALA A 129 -40.635 6.029 51.500 1.00 10.12 H new ATOM 0 HB2 ALA A 129 -41.170 5.495 49.889 1.00 10.12 H new ATOM 0 HB3 ALA A 129 -39.514 5.144 50.439 1.00 10.12 H new ATOM 1779 N ILE A 130 -38.814 7.979 51.948 1.00 71.11 N ATOM 1780 CA ILE A 130 -37.697 8.064 52.877 1.00 30.20 C ATOM 1781 C ILE A 130 -37.398 6.611 53.263 1.00 72.11 C ATOM 1782 O ILE A 130 -38.339 5.833 53.452 1.00 54.35 O ATOM 1783 CB ILE A 130 -38.048 8.939 54.107 1.00 43.24 C ATOM 1784 CG1 ILE A 130 -38.584 10.345 53.729 1.00 23.30 C ATOM 1785 CG2 ILE A 130 -36.802 9.126 54.992 1.00 54.51 C ATOM 1786 CD1 ILE A 130 -40.112 10.416 53.591 1.00 43.34 C ATOM 0 H ILE A 130 -39.727 8.088 52.390 1.00 71.11 H new ATOM 0 HA ILE A 130 -36.826 8.546 52.433 1.00 30.20 H new ATOM 0 HB ILE A 130 -38.839 8.408 54.637 1.00 43.24 H new ATOM 0 HG12 ILE A 130 -38.265 11.060 54.487 1.00 23.30 H new ATOM 0 HG13 ILE A 130 -38.130 10.654 52.788 1.00 23.30 H new ATOM 0 HG21 ILE A 130 -37.057 9.742 55.854 1.00 54.51 H new ATOM 0 HG22 ILE A 130 -36.449 8.153 55.333 1.00 54.51 H new ATOM 0 HG23 ILE A 130 -36.017 9.616 54.416 1.00 54.51 H new ATOM 0 HD11 ILE A 130 -40.407 11.431 53.325 1.00 43.34 H new ATOM 0 HD12 ILE A 130 -40.439 9.728 52.812 1.00 43.34 H new ATOM 0 HD13 ILE A 130 -40.576 10.140 54.538 1.00 43.34 H new ATOM 1797 N ALA A 131 -36.119 6.266 53.369 1.00 41.14 N ATOM 1798 CA ALA A 131 -35.583 5.052 53.953 1.00 33.24 C ATOM 1799 C ALA A 131 -34.258 5.443 54.603 1.00 30.21 C ATOM 1800 O ALA A 131 -33.750 4.623 55.392 1.00 3.31 O ATOM 1801 CB ALA A 131 -35.383 3.979 52.877 1.00 43.25 C ATOM 0 H ALA A 131 -35.379 6.876 53.022 1.00 41.14 H new ATOM 0 HA ALA A 131 -36.264 4.626 54.689 1.00 33.24 H new ATOM 0 HB1 ALA A 131 -34.980 3.075 53.335 1.00 43.25 H new ATOM 0 HB2 ALA A 131 -36.340 3.752 52.407 1.00 43.25 H new ATOM 0 HB3 ALA A 131 -34.686 4.345 52.123 1.00 43.25 H new TER 1807 ALA A 131