USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 987 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 91 TYR OH : rot 122:sc= 0.174 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -172:sc= 0.503 (180deg=0) USER MOD Set 2.1: A 22 MET CE :methyl 155:sc= -3.09 (180deg=-4.21!) USER MOD Set 2.2: A 71 THR OG1 : rot -22:sc= 0.131 USER MOD Set 3.1: A 38 CYS SG : rot -106:sc= -4.38! USER MOD Set 3.2: A 104 ASN : amide:sc= -0.433 K(o=-4.8,f=-5.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.475 (180deg=0.119!) USER MOD Single : A 3 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.75) USER MOD Single : A 7 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.806 F(o=-1.9,f=-0.81) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0899 X(o=0.09,f=-0.15) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 1.27 (180deg=0.87) USER MOD Single : A 36 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 37 SER OG : rot -21:sc= 0.129 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 41 ASN : amide:sc=-0.00427 K(o=-0.0043,f=-1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.0966 (180deg=-0.464) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 69 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.5) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0472 X(o=-0.047,f=-0.26) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 2.89 (180deg=2.53) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 0.466 (180deg=0.349) USER MOD Single : A 80 ASN : amide:sc= 0.796 K(o=0.8,f=-0.069) USER MOD Single : A 84 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.8!) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.075) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 95:sc= -0.0322 USER MOD Single : A 101 MET CE :methyl 142:sc= -0.594 (180deg=-2.77!) USER MOD Single : A 103 LYS NZ :NH3+ -177:sc= 2.26 (180deg=2.23) USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= 0.39 (180deg=-0.183) USER MOD Single : A 109 SER OG : rot 162:sc= 0.471 USER MOD Single : A 110 GLN : amide:sc= -0.843 X(o=-0.84,f=-0.75) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 148:sc= 0.0544 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.578 F(o=-1.8,f=-0.58) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 126 ASN : amide:sc= 0.831 K(o=0.83,f=-1.7) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.116 F(o=-3.3!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.550 -13.891 36.382 1.00 44.31 N ATOM 2 CA MET A 1 45.612 -13.976 34.902 1.00 1.31 C ATOM 3 C MET A 1 45.267 -12.627 34.283 1.00 51.53 C ATOM 4 O MET A 1 44.867 -11.697 34.987 1.00 11.24 O ATOM 5 CB MET A 1 44.664 -15.067 34.383 1.00 12.22 C ATOM 6 CG MET A 1 45.117 -16.480 34.731 1.00 23.02 C ATOM 7 SD MET A 1 45.391 -16.696 36.500 1.00 14.44 S ATOM 8 CE MET A 1 46.002 -18.380 36.547 1.00 52.21 C ATOM 0 H1 MET A 1 45.397 -14.840 36.778 1.00 44.31 H new ATOM 0 H2 MET A 1 46.444 -13.504 36.745 1.00 44.31 H new ATOM 0 H3 MET A 1 44.765 -13.269 36.661 1.00 44.31 H new ATOM 0 HA MET A 1 46.628 -14.242 34.611 1.00 1.31 H new ATOM 0 HB2 MET A 1 43.669 -14.900 34.797 1.00 12.22 H new ATOM 0 HB3 MET A 1 44.578 -14.978 33.300 1.00 12.22 H new ATOM 0 HG2 MET A 1 44.366 -17.193 34.392 1.00 23.02 H new ATOM 0 HG3 MET A 1 46.037 -16.707 34.193 1.00 23.02 H new ATOM 0 HE1 MET A 1 46.217 -18.660 37.578 1.00 52.21 H new ATOM 0 HE2 MET A 1 45.248 -19.052 36.138 1.00 52.21 H new ATOM 0 HE3 MET A 1 46.913 -18.453 35.953 1.00 52.21 H new ATOM 20 N ALA A 2 45.417 -12.529 32.966 1.00 35.21 N ATOM 21 CA ALA A 2 45.221 -11.273 32.251 1.00 43.22 C ATOM 22 C ALA A 2 43.759 -10.830 32.273 1.00 32.42 C ATOM 23 O ALA A 2 42.979 -11.179 31.380 1.00 35.53 O ATOM 24 CB ALA A 2 45.720 -11.400 30.814 1.00 44.55 C ATOM 0 H ALA A 2 45.676 -13.313 32.367 1.00 35.21 H new ATOM 0 HA ALA A 2 45.802 -10.506 32.763 1.00 43.22 H new ATOM 0 HB1 ALA A 2 45.568 -10.456 30.291 1.00 44.55 H new ATOM 0 HB2 ALA A 2 46.782 -11.646 30.818 1.00 44.55 H new ATOM 0 HB3 ALA A 2 45.167 -12.190 30.305 1.00 44.55 H new ATOM 30 N HIS A 3 43.387 -10.092 33.313 1.00 53.01 N ATOM 31 CA HIS A 3 42.081 -9.446 33.374 1.00 35.43 C ATOM 32 C HIS A 3 42.106 -8.231 32.450 1.00 22.45 C ATOM 33 O HIS A 3 42.184 -7.086 32.901 1.00 53.05 O ATOM 34 CB HIS A 3 41.746 -9.043 34.822 1.00 34.24 C ATOM 35 CG HIS A 3 40.350 -8.523 35.015 1.00 73.50 C ATOM 36 ND1 HIS A 3 39.348 -9.264 35.605 1.00 50.53 N ATOM 37 CD2 HIS A 3 39.797 -7.321 34.718 1.00 60.51 C ATOM 38 CE1 HIS A 3 38.245 -8.542 35.659 1.00 54.03 C ATOM 39 NE2 HIS A 3 38.489 -7.359 35.132 1.00 64.40 N ATOM 0 H HIS A 3 43.975 -9.926 34.130 1.00 53.01 H new ATOM 0 HA HIS A 3 41.303 -10.135 33.045 1.00 35.43 H new ATOM 0 HB2 HIS A 3 41.891 -9.908 35.470 1.00 34.24 H new ATOM 0 HB3 HIS A 3 42.453 -8.279 35.146 1.00 34.24 H new ATOM 0 HD2 HIS A 3 40.294 -6.488 34.243 1.00 60.51 H new ATOM 0 HE1 HIS A 3 37.299 -8.867 36.067 1.00 54.03 H new ATOM 0 HE2 HIS A 3 37.816 -6.597 35.046 1.00 64.40 H new ATOM 48 N HIS A 4 42.095 -8.509 31.149 1.00 43.22 N ATOM 49 CA HIS A 4 42.265 -7.481 30.127 1.00 61.22 C ATOM 50 C HIS A 4 41.215 -6.383 30.250 1.00 31.14 C ATOM 51 O HIS A 4 40.022 -6.617 30.051 1.00 44.50 O ATOM 52 CB HIS A 4 42.211 -8.104 28.725 1.00 11.14 C ATOM 53 CG HIS A 4 42.318 -7.095 27.618 1.00 15.14 C ATOM 54 ND1 HIS A 4 41.352 -6.932 26.648 1.00 42.31 N ATOM 55 CD2 HIS A 4 43.287 -6.191 27.331 1.00 32.10 C ATOM 56 CE1 HIS A 4 41.718 -5.974 25.818 1.00 40.31 C ATOM 57 NE2 HIS A 4 42.888 -5.506 26.211 1.00 13.13 N ATOM 0 H HIS A 4 41.968 -9.449 30.775 1.00 43.22 H new ATOM 0 HA HIS A 4 43.244 -7.027 30.281 1.00 61.22 H new ATOM 0 HB2 HIS A 4 43.020 -8.828 28.626 1.00 11.14 H new ATOM 0 HB3 HIS A 4 41.276 -8.654 28.616 1.00 11.14 H new ATOM 0 HD2 HIS A 4 44.203 -6.038 27.882 1.00 32.10 H new ATOM 0 HE1 HIS A 4 41.156 -5.631 24.962 1.00 40.31 H new ATOM 0 HE2 HIS A 4 43.410 -4.757 25.756 1.00 13.13 H new ATOM 66 N HIS A 5 41.681 -5.184 30.581 1.00 63.03 N ATOM 67 CA HIS A 5 40.822 -4.012 30.648 1.00 44.40 C ATOM 68 C HIS A 5 40.295 -3.688 29.254 1.00 20.11 C ATOM 69 O HIS A 5 41.017 -3.146 28.413 1.00 11.22 O ATOM 70 CB HIS A 5 41.588 -2.811 31.217 1.00 14.24 C ATOM 71 CG HIS A 5 42.064 -3.001 32.627 1.00 23.14 C ATOM 72 ND1 HIS A 5 43.376 -3.273 32.947 1.00 72.03 N ATOM 73 CD2 HIS A 5 41.399 -2.942 33.804 1.00 42.41 C ATOM 74 CE1 HIS A 5 43.496 -3.374 34.256 1.00 42.33 C ATOM 75 NE2 HIS A 5 42.311 -3.175 34.799 1.00 75.10 N ATOM 0 H HIS A 5 42.658 -5.000 30.809 1.00 63.03 H new ATOM 0 HA HIS A 5 39.984 -4.226 31.311 1.00 44.40 H new ATOM 0 HB2 HIS A 5 42.448 -2.607 30.579 1.00 14.24 H new ATOM 0 HB3 HIS A 5 40.945 -1.932 31.177 1.00 14.24 H new ATOM 0 HD2 HIS A 5 40.345 -2.747 33.935 1.00 42.41 H new ATOM 0 HE1 HIS A 5 44.410 -3.584 34.792 1.00 42.33 H new ATOM 0 HE2 HIS A 5 42.107 -3.192 35.798 1.00 75.10 H new ATOM 84 N HIS A 6 39.047 -4.053 29.006 1.00 25.23 N ATOM 85 CA HIS A 6 38.424 -3.858 27.701 1.00 41.31 C ATOM 86 C HIS A 6 37.896 -2.429 27.555 1.00 61.01 C ATOM 87 O HIS A 6 36.784 -2.117 27.980 1.00 33.51 O ATOM 88 CB HIS A 6 37.304 -4.895 27.482 1.00 54.22 C ATOM 89 CG HIS A 6 36.353 -5.039 28.639 1.00 2.34 C ATOM 90 ND1 HIS A 6 36.545 -5.949 29.657 1.00 63.24 N ATOM 91 CD2 HIS A 6 35.204 -4.384 28.938 1.00 4.13 C ATOM 92 CE1 HIS A 6 35.561 -5.845 30.529 1.00 13.34 C ATOM 93 NE2 HIS A 6 34.732 -4.904 30.119 1.00 52.12 N ATOM 0 H HIS A 6 38.438 -4.491 29.698 1.00 25.23 H new ATOM 0 HA HIS A 6 39.180 -4.008 26.930 1.00 41.31 H new ATOM 0 HB2 HIS A 6 36.737 -4.616 26.594 1.00 54.22 H new ATOM 0 HB3 HIS A 6 37.758 -5.865 27.279 1.00 54.22 H new ATOM 0 HD2 HIS A 6 34.745 -3.599 28.356 1.00 4.13 H new ATOM 0 HE1 HIS A 6 35.452 -6.432 31.429 1.00 13.34 H new ATOM 0 HE2 HIS A 6 33.881 -4.611 30.599 1.00 52.12 H new ATOM 102 N HIS A 7 38.722 -1.555 26.982 1.00 4.24 N ATOM 103 CA HIS A 7 38.346 -0.162 26.753 1.00 55.32 C ATOM 104 C HIS A 7 37.907 0.036 25.308 1.00 24.32 C ATOM 105 O HIS A 7 38.666 -0.241 24.375 1.00 2.15 O ATOM 106 CB HIS A 7 39.515 0.783 27.075 1.00 53.30 C ATOM 107 CG HIS A 7 39.742 1.000 28.540 1.00 71.04 C ATOM 108 ND1 HIS A 7 39.672 2.242 29.133 1.00 73.23 N ATOM 109 CD2 HIS A 7 40.058 0.132 29.530 1.00 33.45 C ATOM 110 CE1 HIS A 7 39.937 2.129 30.421 1.00 14.00 C ATOM 111 NE2 HIS A 7 40.173 0.858 30.688 1.00 40.32 N ATOM 0 H HIS A 7 39.663 -1.790 26.666 1.00 4.24 H new ATOM 0 HA HIS A 7 37.515 0.076 27.417 1.00 55.32 H new ATOM 0 HB2 HIS A 7 40.426 0.380 26.633 1.00 53.30 H new ATOM 0 HB3 HIS A 7 39.330 1.747 26.600 1.00 53.30 H new ATOM 0 HD2 HIS A 7 40.194 -0.934 29.427 1.00 33.45 H new ATOM 0 HE1 HIS A 7 39.957 2.939 31.135 1.00 14.00 H new ATOM 0 HE2 HIS A 7 40.403 0.478 31.606 1.00 40.32 H new ATOM 120 N HIS A 8 36.681 0.504 25.131 1.00 40.21 N ATOM 121 CA HIS A 8 36.144 0.793 23.811 1.00 72.24 C ATOM 122 C HIS A 8 34.982 1.770 23.935 1.00 40.13 C ATOM 123 O HIS A 8 33.867 1.378 24.285 1.00 1.00 O ATOM 124 CB HIS A 8 35.683 -0.495 23.112 1.00 42.21 C ATOM 125 CG HIS A 8 35.179 -0.281 21.712 1.00 30.35 C ATOM 126 ND1 HIS A 8 35.934 -0.540 20.588 1.00 14.11 N ATOM 127 CD2 HIS A 8 33.982 0.167 21.256 1.00 62.45 C ATOM 128 CE1 HIS A 8 35.226 -0.260 19.508 1.00 22.51 C ATOM 129 NE2 HIS A 8 34.039 0.170 19.889 1.00 1.14 N ATOM 0 H HIS A 8 36.033 0.693 25.895 1.00 40.21 H new ATOM 0 HA HIS A 8 36.931 1.242 23.205 1.00 72.24 H new ATOM 0 HB2 HIS A 8 36.514 -1.199 23.085 1.00 42.21 H new ATOM 0 HB3 HIS A 8 34.894 -0.956 23.705 1.00 42.21 H new ATOM 0 HD2 HIS A 8 33.139 0.466 21.861 1.00 62.45 H new ATOM 0 HE1 HIS A 8 35.562 -0.365 18.487 1.00 22.51 H new ATOM 0 HE2 HIS A 8 33.285 0.458 19.265 1.00 1.14 H new ATOM 138 N MET A 9 35.255 3.040 23.676 1.00 50.44 N ATOM 139 CA MET A 9 34.232 4.081 23.731 1.00 21.51 C ATOM 140 C MET A 9 34.009 4.635 22.320 1.00 43.21 C ATOM 141 O MET A 9 34.959 4.740 21.537 1.00 62.52 O ATOM 142 CB MET A 9 34.666 5.190 24.709 1.00 34.31 C ATOM 143 CG MET A 9 33.512 5.987 25.311 1.00 44.33 C ATOM 144 SD MET A 9 32.608 6.957 24.091 1.00 34.24 S ATOM 145 CE MET A 9 31.284 7.633 25.090 1.00 52.32 C ATOM 0 H MET A 9 36.183 3.379 23.423 1.00 50.44 H new ATOM 0 HA MET A 9 33.292 3.667 24.095 1.00 21.51 H new ATOM 0 HB2 MET A 9 35.241 4.740 25.518 1.00 34.31 H new ATOM 0 HB3 MET A 9 35.333 5.877 24.188 1.00 34.31 H new ATOM 0 HG2 MET A 9 32.823 5.301 25.803 1.00 44.33 H new ATOM 0 HG3 MET A 9 33.902 6.654 26.080 1.00 44.33 H new ATOM 0 HE1 MET A 9 30.641 8.257 24.469 1.00 52.32 H new ATOM 0 HE2 MET A 9 30.697 6.819 25.516 1.00 52.32 H new ATOM 0 HE3 MET A 9 31.706 8.235 25.894 1.00 52.32 H new ATOM 155 N GLY A 10 32.762 4.962 21.992 1.00 32.14 N ATOM 156 CA GLY A 10 32.425 5.388 20.641 1.00 0.53 C ATOM 157 C GLY A 10 32.335 6.896 20.505 1.00 11.44 C ATOM 158 O GLY A 10 32.195 7.613 21.495 1.00 34.55 O ATOM 0 H GLY A 10 31.974 4.940 22.640 1.00 32.14 H new ATOM 0 HA2 GLY A 10 33.176 5.010 19.948 1.00 0.53 H new ATOM 0 HA3 GLY A 10 31.472 4.944 20.352 1.00 0.53 H new ATOM 162 N THR A 11 32.426 7.379 19.273 1.00 22.44 N ATOM 163 CA THR A 11 32.311 8.803 18.990 1.00 75.15 C ATOM 164 C THR A 11 30.856 9.159 18.677 1.00 30.25 C ATOM 165 O THR A 11 30.188 9.840 19.460 1.00 43.42 O ATOM 166 CB THR A 11 33.225 9.200 17.811 1.00 53.24 C ATOM 167 OG1 THR A 11 32.970 8.335 16.694 1.00 2.43 O ATOM 168 CG2 THR A 11 34.698 9.111 18.205 1.00 63.04 C ATOM 0 H THR A 11 32.580 6.800 18.448 1.00 22.44 H new ATOM 0 HA THR A 11 32.630 9.359 19.872 1.00 75.15 H new ATOM 0 HB THR A 11 33.006 10.232 17.537 1.00 53.24 H new ATOM 0 HG1 THR A 11 33.549 8.588 15.945 1.00 2.43 H new ATOM 0 HG21 THR A 11 35.320 9.396 17.356 1.00 63.04 H new ATOM 0 HG22 THR A 11 34.893 9.785 19.040 1.00 63.04 H new ATOM 0 HG23 THR A 11 34.934 8.089 18.501 1.00 63.04 H new ATOM 176 N LEU A 12 30.364 8.680 17.538 1.00 34.32 N ATOM 177 CA LEU A 12 28.955 8.815 17.191 1.00 55.21 C ATOM 178 C LEU A 12 28.335 7.428 17.037 1.00 61.52 C ATOM 179 O LEU A 12 28.829 6.596 16.273 1.00 73.42 O ATOM 180 CB LEU A 12 28.751 9.658 15.910 1.00 54.33 C ATOM 181 CG LEU A 12 29.273 9.056 14.586 1.00 20.25 C ATOM 182 CD1 LEU A 12 28.740 9.847 13.396 1.00 63.52 C ATOM 183 CD2 LEU A 12 30.800 9.023 14.553 1.00 73.04 C ATOM 0 H LEU A 12 30.924 8.193 16.838 1.00 34.32 H new ATOM 0 HA LEU A 12 28.453 9.348 17.999 1.00 55.21 H new ATOM 0 HB2 LEU A 12 27.684 9.851 15.797 1.00 54.33 H new ATOM 0 HB3 LEU A 12 29.236 10.623 16.058 1.00 54.33 H new ATOM 0 HG LEU A 12 28.912 8.030 14.522 1.00 20.25 H new ATOM 0 HD11 LEU A 12 29.117 9.411 12.471 1.00 63.52 H new ATOM 0 HD12 LEU A 12 27.651 9.814 13.396 1.00 63.52 H new ATOM 0 HD13 LEU A 12 29.071 10.883 13.470 1.00 63.52 H new ATOM 0 HD21 LEU A 12 31.134 8.594 13.608 1.00 73.04 H new ATOM 0 HD22 LEU A 12 31.188 10.037 14.648 1.00 73.04 H new ATOM 0 HD23 LEU A 12 31.169 8.414 15.379 1.00 73.04 H new ATOM 195 N GLU A 13 27.273 7.176 17.795 1.00 35.33 N ATOM 196 CA GLU A 13 26.606 5.878 17.785 1.00 75.21 C ATOM 197 C GLU A 13 25.966 5.608 16.422 1.00 64.03 C ATOM 198 O GLU A 13 26.282 4.613 15.765 1.00 53.10 O ATOM 199 CB GLU A 13 25.548 5.820 18.896 1.00 3.42 C ATOM 200 CG GLU A 13 26.109 6.062 20.298 1.00 62.43 C ATOM 201 CD GLU A 13 27.099 4.990 20.735 1.00 1.03 C ATOM 202 OE1 GLU A 13 26.654 3.928 21.224 1.00 12.44 O ATOM 203 OE2 GLU A 13 28.323 5.201 20.600 1.00 10.50 O ATOM 0 H GLU A 13 26.853 7.857 18.427 1.00 35.33 H new ATOM 0 HA GLU A 13 27.351 5.104 17.969 1.00 75.21 H new ATOM 0 HB2 GLU A 13 24.778 6.563 18.690 1.00 3.42 H new ATOM 0 HB3 GLU A 13 25.064 4.844 18.872 1.00 3.42 H new ATOM 0 HG2 GLU A 13 26.600 7.035 20.324 1.00 62.43 H new ATOM 0 HG3 GLU A 13 25.286 6.101 21.011 1.00 62.43 H new ATOM 210 N ALA A 14 25.070 6.502 16.000 1.00 33.34 N ATOM 211 CA ALA A 14 24.386 6.371 14.714 1.00 23.40 C ATOM 212 C ALA A 14 23.613 7.645 14.376 1.00 1.13 C ATOM 213 O ALA A 14 23.322 8.460 15.257 1.00 62.31 O ATOM 214 CB ALA A 14 23.444 5.168 14.732 1.00 42.45 C ATOM 0 H ALA A 14 24.801 7.328 16.534 1.00 33.34 H new ATOM 0 HA ALA A 14 25.140 6.214 13.943 1.00 23.40 H new ATOM 0 HB1 ALA A 14 22.942 5.084 13.768 1.00 42.45 H new ATOM 0 HB2 ALA A 14 24.017 4.260 14.923 1.00 42.45 H new ATOM 0 HB3 ALA A 14 22.700 5.300 15.518 1.00 42.45 H new ATOM 220 N GLN A 15 23.295 7.810 13.092 1.00 54.54 N ATOM 221 CA GLN A 15 22.496 8.937 12.610 1.00 22.22 C ATOM 222 C GLN A 15 21.466 8.433 11.606 1.00 33.11 C ATOM 223 O GLN A 15 21.620 7.338 11.052 1.00 61.24 O ATOM 224 CB GLN A 15 23.392 10.007 11.959 1.00 24.21 C ATOM 225 CG GLN A 15 24.375 10.659 12.927 1.00 13.44 C ATOM 226 CD GLN A 15 25.247 11.713 12.267 1.00 61.23 C ATOM 227 OE1 GLN A 15 26.325 11.415 11.757 1.00 62.02 O ATOM 228 NE2 GLN A 15 24.788 12.955 12.277 1.00 65.13 N ATOM 0 H GLN A 15 23.584 7.166 12.356 1.00 54.54 H new ATOM 0 HA GLN A 15 21.986 9.395 13.458 1.00 22.22 H new ATOM 0 HB2 GLN A 15 23.950 9.552 11.141 1.00 24.21 H new ATOM 0 HB3 GLN A 15 22.760 10.780 11.522 1.00 24.21 H new ATOM 0 HG2 GLN A 15 23.820 11.116 13.747 1.00 13.44 H new ATOM 0 HG3 GLN A 15 25.012 9.889 13.363 1.00 13.44 H new ATOM 0 HE21 GLN A 15 23.888 13.163 12.710 1.00 65.13 H new ATOM 0 HE22 GLN A 15 25.334 13.704 11.851 1.00 65.13 H new ATOM 237 N THR A 16 20.417 9.213 11.381 1.00 35.34 N ATOM 238 CA THR A 16 19.345 8.819 10.474 1.00 22.51 C ATOM 239 C THR A 16 19.175 9.842 9.350 1.00 62.15 C ATOM 240 O THR A 16 19.569 9.587 8.209 1.00 51.01 O ATOM 241 CB THR A 16 18.011 8.660 11.237 1.00 10.51 C ATOM 242 OG1 THR A 16 17.739 9.856 11.982 1.00 64.34 O ATOM 243 CG2 THR A 16 18.049 7.463 12.186 1.00 51.24 C ATOM 0 H THR A 16 20.285 10.126 11.816 1.00 35.34 H new ATOM 0 HA THR A 16 19.620 7.859 10.037 1.00 22.51 H new ATOM 0 HB THR A 16 17.221 8.487 10.506 1.00 10.51 H new ATOM 0 HG1 THR A 16 16.892 9.755 12.464 1.00 64.34 H new ATOM 0 HG21 THR A 16 17.095 7.381 12.706 1.00 51.24 H new ATOM 0 HG22 THR A 16 18.231 6.552 11.616 1.00 51.24 H new ATOM 0 HG23 THR A 16 18.848 7.601 12.914 1.00 51.24 H new ATOM 251 N GLN A 17 18.608 11.007 9.689 1.00 12.10 N ATOM 252 CA GLN A 17 18.330 12.063 8.708 1.00 14.33 C ATOM 253 C GLN A 17 17.384 11.537 7.622 1.00 23.33 C ATOM 254 O GLN A 17 17.488 11.905 6.450 1.00 30.13 O ATOM 255 CB GLN A 17 19.647 12.567 8.089 1.00 74.12 C ATOM 256 CG GLN A 17 20.655 13.058 9.123 1.00 5.13 C ATOM 257 CD GLN A 17 22.011 13.367 8.516 1.00 12.54 C ATOM 258 OE1 GLN A 17 22.872 12.493 8.416 1.00 25.44 O ATOM 259 NE2 GLN A 17 22.214 14.614 8.116 1.00 20.33 N ATOM 0 H GLN A 17 18.331 11.243 10.642 1.00 12.10 H new ATOM 0 HA GLN A 17 17.844 12.899 9.211 1.00 14.33 H new ATOM 0 HB2 GLN A 17 20.097 11.763 7.507 1.00 74.12 H new ATOM 0 HB3 GLN A 17 19.426 13.378 7.395 1.00 74.12 H new ATOM 0 HG2 GLN A 17 20.266 13.953 9.608 1.00 5.13 H new ATOM 0 HG3 GLN A 17 20.772 12.301 9.898 1.00 5.13 H new ATOM 0 HE21 GLN A 17 21.474 15.309 8.217 1.00 20.33 H new ATOM 0 HE22 GLN A 17 23.110 14.879 7.708 1.00 20.33 H new ATOM 268 N GLY A 18 16.442 10.690 8.041 1.00 43.41 N ATOM 269 CA GLY A 18 15.544 10.022 7.112 1.00 22.55 C ATOM 270 C GLY A 18 14.507 10.948 6.495 1.00 72.34 C ATOM 271 O GLY A 18 14.380 12.104 6.906 1.00 43.41 O ATOM 0 H GLY A 18 16.285 10.454 9.021 1.00 43.41 H new ATOM 0 HA2 GLY A 18 16.132 9.567 6.315 1.00 22.55 H new ATOM 0 HA3 GLY A 18 15.032 9.213 7.633 1.00 22.55 H new ATOM 275 N PRO A 19 13.740 10.454 5.504 1.00 61.04 N ATOM 276 CA PRO A 19 12.723 11.233 4.804 1.00 21.00 C ATOM 277 C PRO A 19 11.336 11.126 5.458 1.00 3.05 C ATOM 278 O PRO A 19 11.220 10.787 6.637 1.00 23.13 O ATOM 279 CB PRO A 19 12.733 10.612 3.398 1.00 32.31 C ATOM 280 CG PRO A 19 13.320 9.234 3.549 1.00 44.11 C ATOM 281 CD PRO A 19 13.804 9.088 4.976 1.00 2.01 C ATOM 0 HA PRO A 19 12.934 12.302 4.814 1.00 21.00 H new ATOM 0 HB2 PRO A 19 11.724 10.562 2.988 1.00 32.31 H new ATOM 0 HB3 PRO A 19 13.327 11.215 2.711 1.00 32.31 H new ATOM 0 HG2 PRO A 19 12.573 8.474 3.320 1.00 44.11 H new ATOM 0 HG3 PRO A 19 14.144 9.092 2.850 1.00 44.11 H new ATOM 0 HD2 PRO A 19 13.171 8.408 5.546 1.00 2.01 H new ATOM 0 HD3 PRO A 19 14.818 8.690 5.017 1.00 2.01 H new ATOM 289 N GLY A 20 10.287 11.395 4.672 1.00 71.23 N ATOM 290 CA GLY A 20 8.939 11.537 5.215 1.00 24.43 C ATOM 291 C GLY A 20 8.221 10.222 5.499 1.00 10.43 C ATOM 292 O GLY A 20 7.123 9.990 4.984 1.00 20.34 O ATOM 0 H GLY A 20 10.349 11.518 3.661 1.00 71.23 H new ATOM 0 HA2 GLY A 20 8.994 12.112 6.140 1.00 24.43 H new ATOM 0 HA3 GLY A 20 8.340 12.118 4.514 1.00 24.43 H new ATOM 296 N SER A 21 8.837 9.373 6.325 1.00 44.22 N ATOM 297 CA SER A 21 8.206 8.147 6.832 1.00 33.22 C ATOM 298 C SER A 21 7.910 7.131 5.716 1.00 41.11 C ATOM 299 O SER A 21 7.163 7.411 4.774 1.00 21.13 O ATOM 300 CB SER A 21 6.918 8.490 7.602 1.00 1.25 C ATOM 301 OG SER A 21 6.376 7.346 8.238 1.00 30.52 O ATOM 0 H SER A 21 9.789 9.514 6.663 1.00 44.22 H new ATOM 0 HA SER A 21 8.918 7.676 7.510 1.00 33.22 H new ATOM 0 HB2 SER A 21 7.131 9.256 8.348 1.00 1.25 H new ATOM 0 HB3 SER A 21 6.183 8.909 6.915 1.00 1.25 H new ATOM 0 HG SER A 21 5.560 7.595 8.720 1.00 30.52 H new ATOM 307 N MET A 22 8.497 5.939 5.852 1.00 13.42 N ATOM 308 CA MET A 22 8.317 4.858 4.883 1.00 61.34 C ATOM 309 C MET A 22 6.945 4.206 5.042 1.00 5.24 C ATOM 310 O MET A 22 6.058 4.389 4.204 1.00 4.43 O ATOM 311 CB MET A 22 9.423 3.806 5.054 1.00 52.11 C ATOM 312 CG MET A 22 10.793 4.221 4.523 1.00 71.02 C ATOM 313 SD MET A 22 11.310 5.878 5.030 1.00 32.10 S ATOM 314 CE MET A 22 10.727 6.860 3.644 1.00 21.20 C ATOM 0 H MET A 22 9.107 5.698 6.633 1.00 13.42 H new ATOM 0 HA MET A 22 8.380 5.283 3.881 1.00 61.34 H new ATOM 0 HB2 MET A 22 9.517 3.568 6.114 1.00 52.11 H new ATOM 0 HB3 MET A 22 9.115 2.891 4.548 1.00 52.11 H new ATOM 0 HG2 MET A 22 11.536 3.500 4.863 1.00 71.02 H new ATOM 0 HG3 MET A 22 10.778 4.174 3.434 1.00 71.02 H new ATOM 0 HE1 MET A 22 10.559 7.886 3.971 1.00 21.20 H new ATOM 0 HE2 MET A 22 11.475 6.850 2.851 1.00 21.20 H new ATOM 0 HE3 MET A 22 9.794 6.441 3.268 1.00 21.20 H new ATOM 324 N ILE A 23 6.774 3.455 6.129 1.00 42.14 N ATOM 325 CA ILE A 23 5.530 2.734 6.378 1.00 55.51 C ATOM 326 C ILE A 23 4.733 3.446 7.469 1.00 14.53 C ATOM 327 O ILE A 23 5.029 3.307 8.658 1.00 64.43 O ATOM 328 CB ILE A 23 5.782 1.264 6.809 1.00 2.33 C ATOM 329 CG1 ILE A 23 6.888 0.611 5.955 1.00 60.25 C ATOM 330 CG2 ILE A 23 4.483 0.462 6.708 1.00 50.21 C ATOM 331 CD1 ILE A 23 6.571 0.527 4.476 1.00 74.22 C ATOM 0 H ILE A 23 7.483 3.331 6.851 1.00 42.14 H new ATOM 0 HA ILE A 23 4.969 2.719 5.444 1.00 55.51 H new ATOM 0 HB ILE A 23 6.122 1.265 7.845 1.00 2.33 H new ATOM 0 HG12 ILE A 23 7.811 1.176 6.085 1.00 60.25 H new ATOM 0 HG13 ILE A 23 7.074 -0.395 6.332 1.00 60.25 H new ATOM 0 HG21 ILE A 23 4.667 -0.568 7.012 1.00 50.21 H new ATOM 0 HG22 ILE A 23 3.731 0.904 7.361 1.00 50.21 H new ATOM 0 HG23 ILE A 23 4.124 0.478 5.679 1.00 50.21 H new ATOM 0 HD11 ILE A 23 7.402 0.055 3.952 1.00 74.22 H new ATOM 0 HD12 ILE A 23 5.667 -0.065 4.331 1.00 74.22 H new ATOM 0 HD13 ILE A 23 6.415 1.530 4.080 1.00 74.22 H new ATOM 343 N GLU A 24 3.735 4.213 7.061 1.00 23.33 N ATOM 344 CA GLU A 24 2.968 5.036 7.987 1.00 13.31 C ATOM 345 C GLU A 24 1.718 4.284 8.463 1.00 65.13 C ATOM 346 O GLU A 24 0.808 4.009 7.680 1.00 22.41 O ATOM 347 CB GLU A 24 2.600 6.356 7.294 1.00 33.42 C ATOM 348 CG GLU A 24 2.166 7.470 8.238 1.00 25.42 C ATOM 349 CD GLU A 24 2.008 8.803 7.521 1.00 22.45 C ATOM 350 OE1 GLU A 24 2.930 9.190 6.764 1.00 32.02 O ATOM 351 OE2 GLU A 24 0.963 9.467 7.701 1.00 31.12 O ATOM 0 H GLU A 24 3.434 4.284 6.089 1.00 23.33 H new ATOM 0 HA GLU A 24 3.568 5.258 8.870 1.00 13.31 H new ATOM 0 HB2 GLU A 24 3.459 6.700 6.718 1.00 33.42 H new ATOM 0 HB3 GLU A 24 1.795 6.166 6.584 1.00 33.42 H new ATOM 0 HG2 GLU A 24 1.221 7.198 8.708 1.00 25.42 H new ATOM 0 HG3 GLU A 24 2.901 7.574 9.037 1.00 25.42 H new ATOM 358 N GLN A 25 1.694 3.929 9.745 1.00 23.12 N ATOM 359 CA GLN A 25 0.566 3.195 10.323 1.00 73.41 C ATOM 360 C GLN A 25 -0.631 4.122 10.547 1.00 3.32 C ATOM 361 O GLN A 25 -0.487 5.226 11.073 1.00 43.43 O ATOM 362 CB GLN A 25 0.986 2.479 11.627 1.00 64.32 C ATOM 363 CG GLN A 25 1.752 3.349 12.634 1.00 51.13 C ATOM 364 CD GLN A 25 0.882 4.320 13.421 1.00 14.33 C ATOM 365 OE1 GLN A 25 -0.345 3.922 13.724 1.00 50.14 O flip ATOM 366 NE2 GLN A 25 1.325 5.414 13.777 1.00 61.12 N flip ATOM 0 H GLN A 25 2.443 4.137 10.406 1.00 23.12 H new ATOM 0 HA GLN A 25 0.256 2.428 9.613 1.00 73.41 H new ATOM 0 HB2 GLN A 25 0.091 2.091 12.114 1.00 64.32 H new ATOM 0 HB3 GLN A 25 1.606 1.621 11.368 1.00 64.32 H new ATOM 0 HG2 GLN A 25 2.273 2.697 13.335 1.00 51.13 H new ATOM 0 HG3 GLN A 25 2.514 3.916 12.099 1.00 51.13 H new ATOM 0 HE21 GLN A 25 2.275 5.686 13.525 1.00 61.12 H new ATOM 0 HE22 GLN A 25 0.741 6.047 14.324 1.00 61.12 H new ATOM 375 N ILE A 26 -1.813 3.669 10.133 1.00 63.32 N ATOM 376 CA ILE A 26 -3.032 4.472 10.248 1.00 62.10 C ATOM 377 C ILE A 26 -4.236 3.588 10.552 1.00 43.21 C ATOM 378 O ILE A 26 -4.110 2.368 10.681 1.00 23.44 O ATOM 379 CB ILE A 26 -3.330 5.282 8.952 1.00 1.12 C ATOM 380 CG1 ILE A 26 -3.479 4.336 7.746 1.00 63.12 C ATOM 381 CG2 ILE A 26 -2.249 6.334 8.694 1.00 62.44 C ATOM 382 CD1 ILE A 26 -3.878 5.039 6.466 1.00 5.25 C ATOM 0 H ILE A 26 -1.954 2.750 9.714 1.00 63.32 H new ATOM 0 HA ILE A 26 -2.861 5.171 11.066 1.00 62.10 H new ATOM 0 HB ILE A 26 -4.274 5.809 9.093 1.00 1.12 H new ATOM 0 HG12 ILE A 26 -2.535 3.816 7.585 1.00 63.12 H new ATOM 0 HG13 ILE A 26 -4.225 3.577 7.981 1.00 63.12 H new ATOM 0 HG21 ILE A 26 -2.486 6.883 7.782 1.00 62.44 H new ATOM 0 HG22 ILE A 26 -2.208 7.027 9.534 1.00 62.44 H new ATOM 0 HG23 ILE A 26 -1.283 5.843 8.581 1.00 62.44 H new ATOM 0 HD11 ILE A 26 -3.963 4.309 5.661 1.00 5.25 H new ATOM 0 HD12 ILE A 26 -4.837 5.536 6.608 1.00 5.25 H new ATOM 0 HD13 ILE A 26 -3.121 5.779 6.206 1.00 5.25 H new ATOM 394 N GLY A 27 -5.391 4.223 10.683 1.00 11.32 N ATOM 395 CA GLY A 27 -6.650 3.516 10.812 1.00 54.12 C ATOM 396 C GLY A 27 -7.599 3.890 9.692 1.00 42.12 C ATOM 397 O GLY A 27 -7.231 4.656 8.797 1.00 34.22 O ATOM 0 H GLY A 27 -5.479 5.239 10.703 1.00 11.32 H new ATOM 0 HA2 GLY A 27 -6.471 2.441 10.798 1.00 54.12 H new ATOM 0 HA3 GLY A 27 -7.106 3.751 11.774 1.00 54.12 H new ATOM 401 N ASP A 28 -8.819 3.369 9.742 1.00 34.40 N ATOM 402 CA ASP A 28 -9.814 3.625 8.699 1.00 30.44 C ATOM 403 C ASP A 28 -10.224 5.093 8.707 1.00 11.31 C ATOM 404 O ASP A 28 -10.585 5.658 7.671 1.00 12.10 O ATOM 405 CB ASP A 28 -11.045 2.725 8.890 1.00 4.00 C ATOM 406 CG ASP A 28 -12.159 3.029 7.894 1.00 55.42 C ATOM 407 OD1 ASP A 28 -12.012 2.685 6.703 1.00 31.22 O ATOM 408 OD2 ASP A 28 -13.180 3.622 8.297 1.00 3.42 O ATOM 0 H ASP A 28 -9.147 2.764 10.495 1.00 34.40 H new ATOM 0 HA ASP A 28 -9.366 3.392 7.733 1.00 30.44 H new ATOM 0 HB2 ASP A 28 -10.746 1.682 8.787 1.00 4.00 H new ATOM 0 HB3 ASP A 28 -11.426 2.849 9.904 1.00 4.00 H new ATOM 413 N SER A 29 -10.143 5.710 9.883 1.00 11.45 N ATOM 414 CA SER A 29 -10.477 7.119 10.039 1.00 72.03 C ATOM 415 C SER A 29 -9.492 7.997 9.267 1.00 71.14 C ATOM 416 O SER A 29 -9.870 9.038 8.726 1.00 75.14 O ATOM 417 CB SER A 29 -10.490 7.488 11.526 1.00 4.43 C ATOM 418 OG SER A 29 -11.414 6.675 12.236 1.00 40.23 O ATOM 0 H SER A 29 -9.847 5.252 10.745 1.00 11.45 H new ATOM 0 HA SER A 29 -11.471 7.294 9.627 1.00 72.03 H new ATOM 0 HB2 SER A 29 -9.492 7.364 11.945 1.00 4.43 H new ATOM 0 HB3 SER A 29 -10.757 8.538 11.643 1.00 4.43 H new ATOM 0 HG SER A 29 -11.407 6.924 13.184 1.00 40.23 H new ATOM 424 N GLU A 30 -8.228 7.574 9.217 1.00 15.11 N ATOM 425 CA GLU A 30 -7.212 8.299 8.459 1.00 62.04 C ATOM 426 C GLU A 30 -7.100 7.751 7.041 1.00 43.51 C ATOM 427 O GLU A 30 -6.631 8.447 6.152 1.00 15.31 O ATOM 428 CB GLU A 30 -5.829 8.219 9.129 1.00 11.34 C ATOM 429 CG GLU A 30 -5.821 8.543 10.620 1.00 14.54 C ATOM 430 CD GLU A 30 -5.976 7.304 11.488 1.00 41.20 C ATOM 431 OE1 GLU A 30 -7.104 6.783 11.601 1.00 60.15 O ATOM 432 OE2 GLU A 30 -4.960 6.837 12.055 1.00 73.15 O ATOM 0 H GLU A 30 -7.886 6.737 9.690 1.00 15.11 H new ATOM 0 HA GLU A 30 -7.529 9.341 8.431 1.00 62.04 H new ATOM 0 HB2 GLU A 30 -5.430 7.215 8.988 1.00 11.34 H new ATOM 0 HB3 GLU A 30 -5.153 8.905 8.619 1.00 11.34 H new ATOM 0 HG2 GLU A 30 -4.888 9.046 10.874 1.00 14.54 H new ATOM 0 HG3 GLU A 30 -6.629 9.240 10.841 1.00 14.54 H new ATOM 439 N PHE A 31 -7.534 6.503 6.844 1.00 73.52 N ATOM 440 CA PHE A 31 -7.362 5.801 5.566 1.00 22.44 C ATOM 441 C PHE A 31 -7.758 6.675 4.377 1.00 41.32 C ATOM 442 O PHE A 31 -6.921 6.999 3.531 1.00 2.43 O ATOM 443 CB PHE A 31 -8.183 4.499 5.561 1.00 31.15 C ATOM 444 CG PHE A 31 -8.113 3.731 4.262 1.00 14.24 C ATOM 445 CD1 PHE A 31 -6.925 3.142 3.852 1.00 61.24 C ATOM 446 CD2 PHE A 31 -9.237 3.589 3.456 1.00 61.53 C ATOM 447 CE1 PHE A 31 -6.859 2.433 2.670 1.00 13.50 C ATOM 448 CE2 PHE A 31 -9.173 2.881 2.272 1.00 13.12 C ATOM 449 CZ PHE A 31 -7.983 2.303 1.879 1.00 24.14 C ATOM 0 H PHE A 31 -8.011 5.953 7.559 1.00 73.52 H new ATOM 0 HA PHE A 31 -6.303 5.563 5.462 1.00 22.44 H new ATOM 0 HB2 PHE A 31 -7.832 3.858 6.369 1.00 31.15 H new ATOM 0 HB3 PHE A 31 -9.225 4.738 5.774 1.00 31.15 H new ATOM 0 HD1 PHE A 31 -6.042 3.240 4.465 1.00 61.24 H new ATOM 0 HD2 PHE A 31 -10.171 4.038 3.759 1.00 61.53 H new ATOM 0 HE1 PHE A 31 -5.928 1.980 2.364 1.00 13.50 H new ATOM 0 HE2 PHE A 31 -10.053 2.780 1.654 1.00 13.12 H new ATOM 0 HZ PHE A 31 -7.931 1.749 0.953 1.00 24.14 H new ATOM 459 N ASP A 32 -9.021 7.080 4.336 1.00 53.33 N ATOM 460 CA ASP A 32 -9.537 7.891 3.234 1.00 11.22 C ATOM 461 C ASP A 32 -8.827 9.229 3.182 1.00 43.04 C ATOM 462 O ASP A 32 -8.503 9.726 2.109 1.00 20.34 O ATOM 463 CB ASP A 32 -11.035 8.137 3.393 1.00 12.31 C ATOM 464 CG ASP A 32 -11.363 8.937 4.649 1.00 25.23 C ATOM 465 OD1 ASP A 32 -11.031 8.470 5.762 1.00 4.20 O ATOM 466 OD2 ASP A 32 -11.941 10.038 4.530 1.00 23.21 O ATOM 0 H ASP A 32 -9.711 6.861 5.054 1.00 53.33 H new ATOM 0 HA ASP A 32 -9.357 7.342 2.310 1.00 11.22 H new ATOM 0 HB2 ASP A 32 -11.408 8.670 2.518 1.00 12.31 H new ATOM 0 HB3 ASP A 32 -11.556 7.180 3.429 1.00 12.31 H new ATOM 471 N ASN A 33 -8.598 9.807 4.354 1.00 34.13 N ATOM 472 CA ASN A 33 -7.941 11.105 4.463 1.00 50.21 C ATOM 473 C ASN A 33 -6.558 11.063 3.826 1.00 22.44 C ATOM 474 O ASN A 33 -6.161 11.984 3.118 1.00 13.44 O ATOM 475 CB ASN A 33 -7.839 11.533 5.933 1.00 35.03 C ATOM 476 CG ASN A 33 -9.168 12.014 6.489 1.00 63.22 C ATOM 477 OD1 ASN A 33 -9.490 13.201 6.420 1.00 61.13 O ATOM 478 ND2 ASN A 33 -9.957 11.102 7.031 1.00 13.21 N ATOM 0 H ASN A 33 -8.859 9.394 5.249 1.00 34.13 H new ATOM 0 HA ASN A 33 -8.544 11.839 3.928 1.00 50.21 H new ATOM 0 HB2 ASN A 33 -7.481 10.694 6.529 1.00 35.03 H new ATOM 0 HB3 ASN A 33 -7.100 12.328 6.027 1.00 35.03 H new ATOM 0 HD21 ASN A 33 -10.865 11.373 7.409 1.00 13.21 H new ATOM 0 HD22 ASN A 33 -9.658 10.128 7.071 1.00 13.21 H new ATOM 485 N LYS A 34 -5.844 9.976 4.067 1.00 74.12 N ATOM 486 CA LYS A 34 -4.498 9.795 3.542 1.00 74.53 C ATOM 487 C LYS A 34 -4.550 9.539 2.040 1.00 11.32 C ATOM 488 O LYS A 34 -3.777 10.117 1.275 1.00 61.34 O ATOM 489 CB LYS A 34 -3.812 8.632 4.272 1.00 42.13 C ATOM 490 CG LYS A 34 -3.617 8.887 5.766 1.00 55.11 C ATOM 491 CD LYS A 34 -2.544 9.942 6.028 1.00 54.23 C ATOM 492 CE LYS A 34 -2.341 10.191 7.518 1.00 13.42 C ATOM 493 NZ LYS A 34 -1.240 11.155 7.771 1.00 2.35 N ATOM 0 H LYS A 34 -6.179 9.195 4.631 1.00 74.12 H new ATOM 0 HA LYS A 34 -3.919 10.703 3.711 1.00 74.53 H new ATOM 0 HB2 LYS A 34 -4.406 7.728 4.139 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -2.841 8.446 3.813 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -4.560 9.212 6.205 1.00 55.11 H new ATOM 0 HG3 LYS A 34 -3.339 7.956 6.260 1.00 55.11 H new ATOM 0 HD2 LYS A 34 -1.603 9.620 5.582 1.00 54.23 H new ATOM 0 HD3 LYS A 34 -2.826 10.875 5.539 1.00 54.23 H new ATOM 0 HE2 LYS A 34 -3.265 10.573 7.952 1.00 13.42 H new ATOM 0 HE3 LYS A 34 -2.120 9.248 8.017 1.00 13.42 H new ATOM 0 HZ1 LYS A 34 -1.380 11.607 8.697 1.00 2.35 H new ATOM 0 HZ2 LYS A 34 -0.330 10.652 7.766 1.00 2.35 H new ATOM 0 HZ3 LYS A 34 -1.238 11.882 7.028 1.00 2.35 H new ATOM 507 N VAL A 35 -5.487 8.689 1.626 1.00 4.45 N ATOM 508 CA VAL A 35 -5.661 8.360 0.215 1.00 55.45 C ATOM 509 C VAL A 35 -6.048 9.604 -0.590 1.00 61.12 C ATOM 510 O VAL A 35 -5.563 9.800 -1.704 1.00 0.34 O ATOM 511 CB VAL A 35 -6.726 7.249 0.018 1.00 11.45 C ATOM 512 CG1 VAL A 35 -6.990 6.984 -1.467 1.00 40.14 C ATOM 513 CG2 VAL A 35 -6.290 5.961 0.719 1.00 42.15 C ATOM 0 H VAL A 35 -6.139 8.215 2.251 1.00 4.45 H new ATOM 0 HA VAL A 35 -4.705 7.985 -0.151 1.00 55.45 H new ATOM 0 HB VAL A 35 -7.657 7.597 0.466 1.00 11.45 H new ATOM 0 HG11 VAL A 35 -7.741 6.200 -1.569 1.00 40.14 H new ATOM 0 HG12 VAL A 35 -7.351 7.897 -1.941 1.00 40.14 H new ATOM 0 HG13 VAL A 35 -6.066 6.666 -1.950 1.00 40.14 H new ATOM 0 HG21 VAL A 35 -7.048 5.192 0.571 1.00 42.15 H new ATOM 0 HG22 VAL A 35 -5.342 5.622 0.301 1.00 42.15 H new ATOM 0 HG23 VAL A 35 -6.169 6.150 1.786 1.00 42.15 H new ATOM 523 N THR A 36 -6.921 10.436 -0.024 1.00 1.12 N ATOM 524 CA THR A 36 -7.343 11.672 -0.687 1.00 74.23 C ATOM 525 C THR A 36 -6.316 12.802 -0.514 1.00 23.13 C ATOM 526 O THR A 36 -6.251 13.713 -1.342 1.00 42.14 O ATOM 527 CB THR A 36 -8.721 12.148 -0.167 1.00 14.15 C ATOM 528 OG1 THR A 36 -8.695 12.257 1.263 1.00 21.34 O ATOM 529 CG2 THR A 36 -9.830 11.189 -0.590 1.00 74.44 C ATOM 0 H THR A 36 -7.349 10.279 0.888 1.00 1.12 H new ATOM 0 HA THR A 36 -7.421 11.438 -1.749 1.00 74.23 H new ATOM 0 HB THR A 36 -8.927 13.125 -0.603 1.00 14.15 H new ATOM 0 HG1 THR A 36 -8.867 11.378 1.661 1.00 21.34 H new ATOM 0 HG21 THR A 36 -10.786 11.549 -0.211 1.00 74.44 H new ATOM 0 HG22 THR A 36 -9.868 11.134 -1.678 1.00 74.44 H new ATOM 0 HG23 THR A 36 -9.628 10.198 -0.184 1.00 74.44 H new ATOM 537 N SER A 37 -5.518 12.748 0.558 1.00 25.43 N ATOM 538 CA SER A 37 -4.534 13.801 0.842 1.00 54.23 C ATOM 539 C SER A 37 -3.406 13.824 -0.194 1.00 21.23 C ATOM 540 O SER A 37 -2.637 14.791 -0.254 1.00 20.41 O ATOM 541 CB SER A 37 -3.945 13.621 2.247 1.00 25.13 C ATOM 542 OG SER A 37 -3.127 14.723 2.617 1.00 63.31 O ATOM 0 H SER A 37 -5.533 11.991 1.241 1.00 25.43 H new ATOM 0 HA SER A 37 -5.059 14.755 0.788 1.00 54.23 H new ATOM 0 HB2 SER A 37 -4.754 13.509 2.969 1.00 25.13 H new ATOM 0 HB3 SER A 37 -3.357 12.704 2.281 1.00 25.13 H new ATOM 0 HG SER A 37 -2.833 15.197 1.811 1.00 63.31 H new ATOM 548 N CYS A 38 -3.299 12.764 -0.991 1.00 72.11 N ATOM 549 CA CYS A 38 -2.280 12.682 -2.033 1.00 5.32 C ATOM 550 C CYS A 38 -2.404 13.874 -2.985 1.00 61.23 C ATOM 551 O CYS A 38 -3.497 14.170 -3.470 1.00 45.33 O ATOM 552 CB CYS A 38 -2.426 11.369 -2.809 1.00 32.02 C ATOM 553 SG CYS A 38 -4.025 11.182 -3.627 1.00 34.41 S ATOM 0 H CYS A 38 -3.908 11.948 -0.934 1.00 72.11 H new ATOM 0 HA CYS A 38 -1.295 12.707 -1.566 1.00 5.32 H new ATOM 0 HB2 CYS A 38 -1.636 11.310 -3.558 1.00 32.02 H new ATOM 0 HB3 CYS A 38 -2.279 10.534 -2.124 1.00 32.02 H new ATOM 0 HG CYS A 38 -4.742 10.308 -2.984 1.00 34.41 H new ATOM 559 N ASN A 39 -1.286 14.559 -3.239 1.00 2.42 N ATOM 560 CA ASN A 39 -1.291 15.758 -4.081 1.00 30.01 C ATOM 561 C ASN A 39 -1.787 15.429 -5.492 1.00 0.35 C ATOM 562 O ASN A 39 -2.894 15.809 -5.873 1.00 15.33 O ATOM 563 CB ASN A 39 0.113 16.382 -4.143 1.00 10.03 C ATOM 564 CG ASN A 39 0.119 17.720 -4.866 1.00 51.21 C ATOM 565 OD1 ASN A 39 0.270 17.785 -6.088 1.00 34.22 O ATOM 566 ND2 ASN A 39 -0.039 18.801 -4.113 1.00 11.25 N ATOM 0 H ASN A 39 -0.368 14.305 -2.875 1.00 2.42 H new ATOM 0 HA ASN A 39 -1.974 16.481 -3.635 1.00 30.01 H new ATOM 0 HB2 ASN A 39 0.493 16.517 -3.130 1.00 10.03 H new ATOM 0 HB3 ASN A 39 0.791 15.695 -4.649 1.00 10.03 H new ATOM 0 HD21 ASN A 39 -0.038 19.726 -4.542 1.00 11.25 H new ATOM 0 HD22 ASN A 39 -0.161 18.707 -3.105 1.00 11.25 H new ATOM 573 N ASP A 40 -0.964 14.716 -6.259 1.00 43.12 N ATOM 574 CA ASP A 40 -1.336 14.290 -7.608 1.00 62.41 C ATOM 575 C ASP A 40 -0.443 13.146 -8.070 1.00 34.32 C ATOM 576 O ASP A 40 0.769 13.176 -7.859 1.00 31.32 O ATOM 577 CB ASP A 40 -1.251 15.459 -8.602 1.00 51.04 C ATOM 578 CG ASP A 40 -1.596 15.038 -10.025 1.00 21.12 C ATOM 579 OD1 ASP A 40 -2.739 14.590 -10.257 1.00 12.41 O ATOM 580 OD2 ASP A 40 -0.733 15.164 -10.918 1.00 12.41 O ATOM 0 H ASP A 40 -0.032 14.420 -5.968 1.00 43.12 H new ATOM 0 HA ASP A 40 -2.369 13.943 -7.576 1.00 62.41 H new ATOM 0 HB2 ASP A 40 -1.930 16.251 -8.286 1.00 51.04 H new ATOM 0 HB3 ASP A 40 -0.244 15.876 -8.583 1.00 51.04 H new ATOM 585 N ASN A 41 -1.064 12.128 -8.669 1.00 21.15 N ATOM 586 CA ASN A 41 -0.361 10.953 -9.205 1.00 74.32 C ATOM 587 C ASN A 41 0.396 10.166 -8.128 1.00 74.22 C ATOM 588 O ASN A 41 1.051 9.166 -8.444 1.00 53.41 O ATOM 589 CB ASN A 41 0.607 11.346 -10.334 1.00 23.53 C ATOM 590 CG ASN A 41 -0.103 11.815 -11.594 1.00 63.11 C ATOM 591 OD1 ASN A 41 -1.243 11.425 -11.866 1.00 13.13 O ATOM 592 ND2 ASN A 41 0.566 12.643 -12.377 1.00 62.42 N ATOM 0 H ASN A 41 -2.075 12.092 -8.798 1.00 21.15 H new ATOM 0 HA ASN A 41 -1.137 10.301 -9.606 1.00 74.32 H new ATOM 0 HB2 ASN A 41 1.266 12.138 -9.980 1.00 23.53 H new ATOM 0 HB3 ASN A 41 1.238 10.491 -10.577 1.00 23.53 H new ATOM 0 HD21 ASN A 41 0.142 12.983 -13.240 1.00 62.42 H new ATOM 0 HD22 ASN A 41 1.506 12.942 -12.118 1.00 62.42 H new ATOM 599 N ILE A 42 0.295 10.592 -6.867 1.00 22.54 N ATOM 600 CA ILE A 42 1.000 9.924 -5.773 1.00 40.33 C ATOM 601 C ILE A 42 0.517 8.486 -5.630 1.00 51.32 C ATOM 602 O ILE A 42 -0.690 8.222 -5.600 1.00 10.41 O ATOM 603 CB ILE A 42 0.815 10.664 -4.422 1.00 5.53 C ATOM 604 CG1 ILE A 42 1.325 12.114 -4.526 1.00 75.24 C ATOM 605 CG2 ILE A 42 1.528 9.918 -3.287 1.00 75.13 C ATOM 606 CD1 ILE A 42 2.798 12.229 -4.874 1.00 62.51 C ATOM 0 H ILE A 42 -0.266 11.394 -6.580 1.00 22.54 H new ATOM 0 HA ILE A 42 2.061 9.936 -6.023 1.00 40.33 H new ATOM 0 HB ILE A 42 -0.250 10.690 -4.191 1.00 5.53 H new ATOM 0 HG12 ILE A 42 0.742 12.640 -5.282 1.00 75.24 H new ATOM 0 HG13 ILE A 42 1.146 12.620 -3.577 1.00 75.24 H new ATOM 0 HG21 ILE A 42 1.384 10.457 -2.350 1.00 75.13 H new ATOM 0 HG22 ILE A 42 1.114 8.914 -3.196 1.00 75.13 H new ATOM 0 HG23 ILE A 42 2.593 9.853 -3.507 1.00 75.13 H new ATOM 0 HD11 ILE A 42 3.078 13.281 -4.928 1.00 62.51 H new ATOM 0 HD12 ILE A 42 3.393 11.734 -4.106 1.00 62.51 H new ATOM 0 HD13 ILE A 42 2.982 11.754 -5.838 1.00 62.51 H new ATOM 618 N LEU A 43 1.467 7.565 -5.561 1.00 53.04 N ATOM 619 CA LEU A 43 1.166 6.145 -5.458 1.00 5.12 C ATOM 620 C LEU A 43 1.131 5.733 -3.985 1.00 42.10 C ATOM 621 O LEU A 43 2.154 5.749 -3.295 1.00 62.13 O ATOM 622 CB LEU A 43 2.219 5.325 -6.230 1.00 24.05 C ATOM 623 CG LEU A 43 1.708 4.031 -6.897 1.00 72.42 C ATOM 624 CD1 LEU A 43 2.856 3.278 -7.560 1.00 32.42 C ATOM 625 CD2 LEU A 43 0.985 3.132 -5.898 1.00 4.43 C ATOM 0 H LEU A 43 2.464 7.780 -5.575 1.00 53.04 H new ATOM 0 HA LEU A 43 0.189 5.948 -5.899 1.00 5.12 H new ATOM 0 HB2 LEU A 43 2.653 5.961 -7.001 1.00 24.05 H new ATOM 0 HB3 LEU A 43 3.023 5.063 -5.542 1.00 24.05 H new ATOM 0 HG LEU A 43 0.989 4.319 -7.665 1.00 72.42 H new ATOM 0 HD11 LEU A 43 2.475 2.369 -8.024 1.00 32.42 H new ATOM 0 HD12 LEU A 43 3.314 3.910 -8.321 1.00 32.42 H new ATOM 0 HD13 LEU A 43 3.601 3.017 -6.809 1.00 32.42 H new ATOM 0 HD21 LEU A 43 0.639 2.230 -6.404 1.00 4.43 H new ATOM 0 HD22 LEU A 43 1.668 2.858 -5.094 1.00 4.43 H new ATOM 0 HD23 LEU A 43 0.130 3.665 -5.481 1.00 4.43 H new ATOM 637 N ILE A 44 -0.053 5.373 -3.515 1.00 41.14 N ATOM 638 CA ILE A 44 -0.252 4.968 -2.133 1.00 61.13 C ATOM 639 C ILE A 44 -0.489 3.463 -2.051 1.00 53.22 C ATOM 640 O ILE A 44 -1.390 2.933 -2.700 1.00 22.24 O ATOM 641 CB ILE A 44 -1.452 5.724 -1.508 1.00 53.41 C ATOM 642 CG1 ILE A 44 -1.162 7.234 -1.480 1.00 45.12 C ATOM 643 CG2 ILE A 44 -1.759 5.200 -0.105 1.00 60.14 C ATOM 644 CD1 ILE A 44 -2.294 8.070 -0.922 1.00 30.52 C ATOM 0 H ILE A 44 -0.902 5.353 -4.080 1.00 41.14 H new ATOM 0 HA ILE A 44 0.649 5.218 -1.572 1.00 61.13 H new ATOM 0 HB ILE A 44 -2.334 5.549 -2.124 1.00 53.41 H new ATOM 0 HG12 ILE A 44 -0.266 7.410 -0.884 1.00 45.12 H new ATOM 0 HG13 ILE A 44 -0.942 7.570 -2.493 1.00 45.12 H new ATOM 0 HG21 ILE A 44 -2.605 5.747 0.311 1.00 60.14 H new ATOM 0 HG22 ILE A 44 -2.004 4.139 -0.158 1.00 60.14 H new ATOM 0 HG23 ILE A 44 -0.887 5.339 0.534 1.00 60.14 H new ATOM 0 HD11 ILE A 44 -2.011 9.122 -0.937 1.00 30.52 H new ATOM 0 HD12 ILE A 44 -3.187 7.926 -1.531 1.00 30.52 H new ATOM 0 HD13 ILE A 44 -2.501 7.764 0.104 1.00 30.52 H new ATOM 656 N LEU A 45 0.343 2.778 -1.277 1.00 51.23 N ATOM 657 CA LEU A 45 0.186 1.344 -1.046 1.00 62.00 C ATOM 658 C LEU A 45 -0.349 1.121 0.360 1.00 33.12 C ATOM 659 O LEU A 45 -0.034 1.884 1.274 1.00 14.20 O ATOM 660 CB LEU A 45 1.519 0.591 -1.218 1.00 52.11 C ATOM 661 CG LEU A 45 2.120 0.582 -2.639 1.00 14.01 C ATOM 662 CD1 LEU A 45 2.644 1.962 -3.026 1.00 2.23 C ATOM 663 CD2 LEU A 45 3.229 -0.464 -2.744 1.00 63.33 C ATOM 0 H LEU A 45 1.140 3.194 -0.795 1.00 51.23 H new ATOM 0 HA LEU A 45 -0.514 0.954 -1.784 1.00 62.00 H new ATOM 0 HB2 LEU A 45 2.250 1.031 -0.540 1.00 52.11 H new ATOM 0 HB3 LEU A 45 1.372 -0.442 -0.902 1.00 52.11 H new ATOM 0 HG LEU A 45 1.326 0.319 -3.338 1.00 14.01 H new ATOM 0 HD11 LEU A 45 3.061 1.924 -4.032 1.00 2.23 H new ATOM 0 HD12 LEU A 45 1.826 2.682 -2.999 1.00 2.23 H new ATOM 0 HD13 LEU A 45 3.419 2.267 -2.323 1.00 2.23 H new ATOM 0 HD21 LEU A 45 3.642 -0.457 -3.753 1.00 63.33 H new ATOM 0 HD22 LEU A 45 4.017 -0.232 -2.028 1.00 63.33 H new ATOM 0 HD23 LEU A 45 2.820 -1.451 -2.526 1.00 63.33 H new ATOM 675 N VAL A 46 -1.166 0.095 0.529 1.00 51.43 N ATOM 676 CA VAL A 46 -1.705 -0.253 1.837 1.00 0.04 C ATOM 677 C VAL A 46 -1.389 -1.706 2.152 1.00 63.04 C ATOM 678 O VAL A 46 -2.015 -2.622 1.610 1.00 3.33 O ATOM 679 CB VAL A 46 -3.238 -0.022 1.908 1.00 70.04 C ATOM 680 CG1 VAL A 46 -3.779 -0.359 3.298 1.00 62.33 C ATOM 681 CG2 VAL A 46 -3.589 1.415 1.522 1.00 30.44 C ATOM 0 H VAL A 46 -1.473 -0.516 -0.227 1.00 51.43 H new ATOM 0 HA VAL A 46 -1.236 0.397 2.575 1.00 0.04 H new ATOM 0 HB VAL A 46 -3.713 -0.692 1.191 1.00 70.04 H new ATOM 0 HG11 VAL A 46 -4.855 -0.188 3.321 1.00 62.33 H new ATOM 0 HG12 VAL A 46 -3.572 -1.405 3.525 1.00 62.33 H new ATOM 0 HG13 VAL A 46 -3.295 0.276 4.040 1.00 62.33 H new ATOM 0 HG21 VAL A 46 -4.669 1.554 1.579 1.00 30.44 H new ATOM 0 HG22 VAL A 46 -3.098 2.106 2.207 1.00 30.44 H new ATOM 0 HG23 VAL A 46 -3.251 1.611 0.504 1.00 30.44 H new ATOM 691 N ASP A 47 -0.419 -1.906 3.033 1.00 24.34 N ATOM 692 CA ASP A 47 0.038 -3.238 3.398 1.00 54.43 C ATOM 693 C ASP A 47 -0.683 -3.703 4.653 1.00 63.32 C ATOM 694 O ASP A 47 -0.477 -3.141 5.734 1.00 41.12 O ATOM 695 CB ASP A 47 1.559 -3.252 3.655 1.00 1.42 C ATOM 696 CG ASP A 47 2.396 -2.737 2.491 1.00 11.44 C ATOM 697 OD1 ASP A 47 1.856 -2.563 1.379 1.00 32.11 O ATOM 698 OD2 ASP A 47 3.605 -2.506 2.704 1.00 60.35 O ATOM 0 H ASP A 47 0.072 -1.152 3.513 1.00 24.34 H new ATOM 0 HA ASP A 47 -0.183 -3.910 2.569 1.00 54.43 H new ATOM 0 HB2 ASP A 47 1.772 -2.647 4.536 1.00 1.42 H new ATOM 0 HB3 ASP A 47 1.867 -4.272 3.886 1.00 1.42 H new ATOM 703 N PHE A 48 -1.524 -4.722 4.523 1.00 52.53 N ATOM 704 CA PHE A 48 -2.241 -5.270 5.672 1.00 5.33 C ATOM 705 C PHE A 48 -1.273 -5.915 6.670 1.00 61.21 C ATOM 706 O PHE A 48 -0.079 -6.068 6.389 1.00 52.11 O ATOM 707 CB PHE A 48 -3.319 -6.268 5.216 1.00 50.15 C ATOM 708 CG PHE A 48 -4.564 -5.590 4.693 1.00 11.03 C ATOM 709 CD1 PHE A 48 -4.526 -4.832 3.530 1.00 53.35 C ATOM 710 CD2 PHE A 48 -5.769 -5.695 5.376 1.00 64.25 C ATOM 711 CE1 PHE A 48 -5.659 -4.195 3.062 1.00 22.12 C ATOM 712 CE2 PHE A 48 -6.904 -5.063 4.909 1.00 54.13 C ATOM 713 CZ PHE A 48 -6.850 -4.311 3.753 1.00 33.34 C ATOM 0 H PHE A 48 -1.727 -5.185 3.637 1.00 52.53 H new ATOM 0 HA PHE A 48 -2.740 -4.447 6.183 1.00 5.33 H new ATOM 0 HB2 PHE A 48 -2.907 -6.910 4.438 1.00 50.15 H new ATOM 0 HB3 PHE A 48 -3.587 -6.913 6.053 1.00 50.15 H new ATOM 0 HD1 PHE A 48 -3.599 -4.739 2.984 1.00 53.35 H new ATOM 0 HD2 PHE A 48 -5.819 -6.278 6.284 1.00 64.25 H new ATOM 0 HE1 PHE A 48 -5.614 -3.607 2.157 1.00 22.12 H new ATOM 0 HE2 PHE A 48 -7.835 -5.157 5.449 1.00 54.13 H new ATOM 0 HZ PHE A 48 -7.737 -3.814 3.389 1.00 33.34 H new ATOM 723 N TRP A 49 -1.789 -6.260 7.843 1.00 62.31 N ATOM 724 CA TRP A 49 -0.971 -6.820 8.913 1.00 45.30 C ATOM 725 C TRP A 49 -1.012 -8.344 8.876 1.00 5.44 C ATOM 726 O TRP A 49 -2.084 -8.944 8.787 1.00 1.45 O ATOM 727 CB TRP A 49 -1.460 -6.300 10.273 1.00 42.31 C ATOM 728 CG TRP A 49 -0.708 -6.867 11.443 1.00 1.23 C ATOM 729 CD1 TRP A 49 0.625 -6.741 11.701 1.00 40.12 C ATOM 730 CD2 TRP A 49 -1.255 -7.636 12.520 1.00 10.32 C ATOM 731 NE1 TRP A 49 0.945 -7.396 12.863 1.00 62.51 N ATOM 732 CE2 TRP A 49 -0.192 -7.949 13.388 1.00 52.21 C ATOM 733 CE3 TRP A 49 -2.538 -8.091 12.834 1.00 34.34 C ATOM 734 CZ2 TRP A 49 -0.374 -8.698 14.548 1.00 32.23 C ATOM 735 CZ3 TRP A 49 -2.718 -8.833 13.987 1.00 73.50 C ATOM 736 CH2 TRP A 49 -1.640 -9.129 14.831 1.00 65.35 C ATOM 0 H TRP A 49 -2.776 -6.161 8.079 1.00 62.31 H new ATOM 0 HA TRP A 49 0.062 -6.504 8.767 1.00 45.30 H new ATOM 0 HB2 TRP A 49 -1.373 -5.214 10.289 1.00 42.31 H new ATOM 0 HB3 TRP A 49 -2.518 -6.537 10.383 1.00 42.31 H new ATOM 0 HD1 TRP A 49 1.327 -6.204 11.081 1.00 40.12 H new ATOM 0 HE1 TRP A 49 1.878 -7.461 13.270 1.00 62.51 H new ATOM 0 HE3 TRP A 49 -3.374 -7.867 12.188 1.00 34.34 H new ATOM 0 HZ2 TRP A 49 0.455 -8.930 15.200 1.00 32.23 H new ATOM 0 HZ3 TRP A 49 -3.705 -9.190 14.241 1.00 73.50 H new ATOM 0 HH2 TRP A 49 -1.813 -9.710 15.725 1.00 65.35 H new ATOM 747 N ALA A 50 0.162 -8.962 8.933 1.00 51.14 N ATOM 748 CA ALA A 50 0.274 -10.414 8.940 1.00 62.42 C ATOM 749 C ALA A 50 0.640 -10.907 10.342 1.00 50.53 C ATOM 750 O ALA A 50 1.800 -10.818 10.747 1.00 73.50 O ATOM 751 CB ALA A 50 1.311 -10.871 7.918 1.00 50.24 C ATOM 0 H ALA A 50 1.057 -8.474 8.975 1.00 51.14 H new ATOM 0 HA ALA A 50 -0.689 -10.844 8.664 1.00 62.42 H new ATOM 0 HB1 ALA A 50 1.384 -11.958 7.935 1.00 50.24 H new ATOM 0 HB2 ALA A 50 1.011 -10.543 6.923 1.00 50.24 H new ATOM 0 HB3 ALA A 50 2.281 -10.439 8.165 1.00 50.24 H new ATOM 757 N PRO A 51 -0.351 -11.414 11.108 1.00 63.32 N ATOM 758 CA PRO A 51 -0.126 -11.905 12.476 1.00 40.40 C ATOM 759 C PRO A 51 0.934 -13.003 12.522 1.00 54.51 C ATOM 760 O PRO A 51 1.705 -13.098 13.478 1.00 33.14 O ATOM 761 CB PRO A 51 -1.499 -12.455 12.904 1.00 61.32 C ATOM 762 CG PRO A 51 -2.274 -12.614 11.636 1.00 30.32 C ATOM 763 CD PRO A 51 -1.764 -11.548 10.708 1.00 4.40 C ATOM 0 HA PRO A 51 0.245 -11.119 13.134 1.00 40.40 H new ATOM 0 HB2 PRO A 51 -1.396 -13.407 13.424 1.00 61.32 H new ATOM 0 HB3 PRO A 51 -2.001 -11.771 13.588 1.00 61.32 H new ATOM 0 HG2 PRO A 51 -2.127 -13.606 11.210 1.00 30.32 H new ATOM 0 HG3 PRO A 51 -3.343 -12.499 11.814 1.00 30.32 H new ATOM 0 HD2 PRO A 51 -1.862 -11.841 9.663 1.00 4.40 H new ATOM 0 HD3 PRO A 51 -2.309 -10.612 10.829 1.00 4.40 H new ATOM 771 N TRP A 52 0.969 -13.822 11.475 1.00 35.12 N ATOM 772 CA TRP A 52 1.958 -14.885 11.351 1.00 71.22 C ATOM 773 C TRP A 52 2.190 -15.209 9.878 1.00 70.13 C ATOM 774 O TRP A 52 1.236 -15.413 9.125 1.00 23.45 O ATOM 775 CB TRP A 52 1.501 -16.142 12.109 1.00 10.52 C ATOM 776 CG TRP A 52 2.470 -17.287 12.009 1.00 20.15 C ATOM 777 CD1 TRP A 52 3.663 -17.412 12.661 1.00 24.30 C ATOM 778 CD2 TRP A 52 2.326 -18.466 11.207 1.00 30.00 C ATOM 779 NE1 TRP A 52 4.269 -18.592 12.311 1.00 25.31 N ATOM 780 CE2 TRP A 52 3.468 -19.259 11.420 1.00 60.33 C ATOM 781 CE3 TRP A 52 1.340 -18.926 10.328 1.00 72.33 C ATOM 782 CZ2 TRP A 52 3.651 -20.484 10.789 1.00 44.40 C ATOM 783 CZ3 TRP A 52 1.521 -20.143 9.703 1.00 31.24 C ATOM 784 CH2 TRP A 52 2.670 -20.911 9.935 1.00 24.45 C ATOM 0 H TRP A 52 0.316 -13.767 10.693 1.00 35.12 H new ATOM 0 HA TRP A 52 2.895 -14.543 11.791 1.00 71.22 H new ATOM 0 HB2 TRP A 52 1.355 -15.890 13.159 1.00 10.52 H new ATOM 0 HB3 TRP A 52 0.534 -16.460 11.720 1.00 10.52 H new ATOM 0 HD1 TRP A 52 4.070 -16.688 13.351 1.00 24.30 H new ATOM 0 HE1 TRP A 52 5.170 -18.920 12.658 1.00 25.31 H new ATOM 0 HE3 TRP A 52 0.453 -18.339 10.142 1.00 72.33 H new ATOM 0 HZ2 TRP A 52 4.536 -21.078 10.966 1.00 44.40 H new ATOM 0 HZ3 TRP A 52 0.765 -20.509 9.024 1.00 31.24 H new ATOM 0 HH2 TRP A 52 2.784 -21.859 9.430 1.00 24.45 H new ATOM 795 N CYS A 53 3.457 -15.238 9.472 1.00 22.35 N ATOM 796 CA CYS A 53 3.828 -15.539 8.092 1.00 43.43 C ATOM 797 C CYS A 53 5.346 -15.651 7.965 1.00 0.20 C ATOM 798 O CYS A 53 6.071 -14.730 8.341 1.00 21.10 O ATOM 799 CB CYS A 53 3.303 -14.452 7.147 1.00 42.43 C ATOM 800 SG CYS A 53 3.766 -14.686 5.399 1.00 12.24 S ATOM 0 H CYS A 53 4.251 -15.055 10.086 1.00 22.35 H new ATOM 0 HA CYS A 53 3.378 -16.492 7.814 1.00 43.43 H new ATOM 0 HB2 CYS A 53 2.216 -14.417 7.221 1.00 42.43 H new ATOM 0 HB3 CYS A 53 3.676 -13.484 7.483 1.00 42.43 H new ATOM 805 N GLY A 54 5.816 -16.782 7.439 1.00 40.20 N ATOM 806 CA GLY A 54 7.243 -17.013 7.293 1.00 74.20 C ATOM 807 C GLY A 54 7.894 -16.056 6.304 1.00 43.13 C ATOM 808 O GLY A 54 8.555 -15.104 6.715 1.00 73.35 O ATOM 0 H GLY A 54 5.227 -17.547 7.109 1.00 40.20 H new ATOM 0 HA2 GLY A 54 7.725 -16.908 8.265 1.00 74.20 H new ATOM 0 HA3 GLY A 54 7.409 -18.039 6.963 1.00 74.20 H new ATOM 812 N PRO A 55 7.697 -16.268 4.983 1.00 63.40 N ATOM 813 CA PRO A 55 8.354 -15.470 3.931 1.00 2.33 C ATOM 814 C PRO A 55 8.142 -13.966 4.105 1.00 63.23 C ATOM 815 O PRO A 55 8.987 -13.160 3.708 1.00 65.02 O ATOM 816 CB PRO A 55 7.699 -15.965 2.625 1.00 4.44 C ATOM 817 CG PRO A 55 6.486 -16.726 3.055 1.00 34.15 C ATOM 818 CD PRO A 55 6.821 -17.298 4.404 1.00 35.31 C ATOM 0 HA PRO A 55 9.436 -15.601 3.952 1.00 2.33 H new ATOM 0 HB2 PRO A 55 7.430 -15.129 1.979 1.00 4.44 H new ATOM 0 HB3 PRO A 55 8.381 -16.599 2.059 1.00 4.44 H new ATOM 0 HG2 PRO A 55 5.615 -16.074 3.112 1.00 34.15 H new ATOM 0 HG3 PRO A 55 6.247 -17.516 2.343 1.00 34.15 H new ATOM 0 HD2 PRO A 55 5.929 -17.458 5.009 1.00 35.31 H new ATOM 0 HD3 PRO A 55 7.327 -18.260 4.322 1.00 35.31 H new ATOM 826 N CYS A 56 7.020 -13.599 4.718 1.00 71.15 N ATOM 827 CA CYS A 56 6.667 -12.196 4.919 1.00 12.51 C ATOM 828 C CYS A 56 7.748 -11.442 5.694 1.00 72.23 C ATOM 829 O CYS A 56 7.846 -10.218 5.586 1.00 13.11 O ATOM 830 CB CYS A 56 5.318 -12.088 5.637 1.00 44.31 C ATOM 831 SG CYS A 56 3.927 -12.793 4.689 1.00 60.01 S ATOM 0 H CYS A 56 6.335 -14.259 5.087 1.00 71.15 H new ATOM 0 HA CYS A 56 6.587 -11.731 3.937 1.00 12.51 H new ATOM 0 HB2 CYS A 56 5.386 -12.597 6.599 1.00 44.31 H new ATOM 0 HB3 CYS A 56 5.110 -11.039 5.845 1.00 44.31 H new ATOM 836 N ARG A 57 8.569 -12.174 6.457 1.00 23.34 N ATOM 837 CA ARG A 57 9.671 -11.564 7.204 1.00 72.03 C ATOM 838 C ARG A 57 10.608 -10.811 6.260 1.00 61.13 C ATOM 839 O ARG A 57 11.141 -9.763 6.615 1.00 11.24 O ATOM 840 CB ARG A 57 10.467 -12.618 7.996 1.00 34.25 C ATOM 841 CG ARG A 57 11.160 -13.670 7.131 1.00 52.41 C ATOM 842 CD ARG A 57 12.061 -14.586 7.954 1.00 63.55 C ATOM 843 NE ARG A 57 11.378 -15.119 9.136 1.00 74.12 N ATOM 844 CZ ARG A 57 11.115 -16.410 9.341 1.00 40.54 C ATOM 845 NH1 ARG A 57 11.398 -17.315 8.412 1.00 51.32 N ATOM 846 NH2 ARG A 57 10.552 -16.794 10.478 1.00 34.42 N ATOM 0 H ARG A 57 8.490 -13.184 6.572 1.00 23.34 H new ATOM 0 HA ARG A 57 9.235 -10.861 7.913 1.00 72.03 H new ATOM 0 HB2 ARG A 57 11.219 -12.109 8.599 1.00 34.25 H new ATOM 0 HB3 ARG A 57 9.791 -13.122 8.687 1.00 34.25 H new ATOM 0 HG2 ARG A 57 10.408 -14.268 6.617 1.00 52.41 H new ATOM 0 HG3 ARG A 57 11.753 -13.174 6.363 1.00 52.41 H new ATOM 0 HD2 ARG A 57 12.403 -15.412 7.331 1.00 63.55 H new ATOM 0 HD3 ARG A 57 12.948 -14.035 8.267 1.00 63.55 H new ATOM 0 HE ARG A 57 11.083 -14.456 9.852 1.00 74.12 H new ATOM 0 HH11 ARG A 57 11.821 -17.026 7.530 1.00 51.32 H new ATOM 0 HH12 ARG A 57 11.192 -18.300 8.580 1.00 51.32 H new ATOM 0 HH21 ARG A 57 10.322 -16.103 11.192 1.00 34.42 H new ATOM 0 HH22 ARG A 57 10.349 -17.781 10.639 1.00 34.42 H new ATOM 860 N SER A 58 10.809 -11.364 5.066 1.00 72.11 N ATOM 861 CA SER A 58 11.627 -10.727 4.038 1.00 5.13 C ATOM 862 C SER A 58 10.868 -9.556 3.405 1.00 30.54 C ATOM 863 O SER A 58 11.430 -8.482 3.135 1.00 30.11 O ATOM 864 CB SER A 58 11.992 -11.758 2.960 1.00 50.23 C ATOM 865 OG SER A 58 12.484 -12.956 3.542 1.00 62.32 O ATOM 0 H SER A 58 10.412 -12.261 4.785 1.00 72.11 H new ATOM 0 HA SER A 58 12.539 -10.344 4.496 1.00 5.13 H new ATOM 0 HB2 SER A 58 11.114 -11.979 2.352 1.00 50.23 H new ATOM 0 HB3 SER A 58 12.745 -11.339 2.292 1.00 50.23 H new ATOM 0 HG SER A 58 12.707 -13.596 2.834 1.00 62.32 H new ATOM 871 N LEU A 59 9.576 -9.773 3.182 1.00 23.23 N ATOM 872 CA LEU A 59 8.732 -8.795 2.508 1.00 73.41 C ATOM 873 C LEU A 59 8.732 -7.459 3.243 1.00 11.53 C ATOM 874 O LEU A 59 8.751 -6.413 2.605 1.00 62.14 O ATOM 875 CB LEU A 59 7.298 -9.326 2.349 1.00 24.53 C ATOM 876 CG LEU A 59 7.070 -10.269 1.154 1.00 5.52 C ATOM 877 CD1 LEU A 59 7.278 -9.529 -0.165 1.00 71.41 C ATOM 878 CD2 LEU A 59 7.980 -11.493 1.236 1.00 61.20 C ATOM 0 H LEU A 59 9.088 -10.624 3.461 1.00 23.23 H new ATOM 0 HA LEU A 59 9.149 -8.629 1.515 1.00 73.41 H new ATOM 0 HB2 LEU A 59 7.020 -9.852 3.263 1.00 24.53 H new ATOM 0 HB3 LEU A 59 6.623 -8.476 2.253 1.00 24.53 H new ATOM 0 HG LEU A 59 6.038 -10.616 1.194 1.00 5.52 H new ATOM 0 HD11 LEU A 59 7.112 -10.214 -0.997 1.00 71.41 H new ATOM 0 HD12 LEU A 59 6.574 -8.700 -0.232 1.00 71.41 H new ATOM 0 HD13 LEU A 59 8.297 -9.144 -0.210 1.00 71.41 H new ATOM 0 HD21 LEU A 59 7.797 -12.141 0.379 1.00 61.20 H new ATOM 0 HD22 LEU A 59 9.022 -11.173 1.232 1.00 61.20 H new ATOM 0 HD23 LEU A 59 7.772 -12.040 2.155 1.00 61.20 H new ATOM 890 N GLU A 60 8.728 -7.498 4.577 1.00 23.20 N ATOM 891 CA GLU A 60 8.722 -6.268 5.372 1.00 3.03 C ATOM 892 C GLU A 60 9.892 -5.342 4.982 1.00 12.13 C ATOM 893 O GLU A 60 9.652 -4.243 4.481 1.00 52.34 O ATOM 894 CB GLU A 60 8.722 -6.571 6.881 1.00 14.11 C ATOM 895 CG GLU A 60 7.456 -7.261 7.366 1.00 34.45 C ATOM 896 CD GLU A 60 7.496 -7.579 8.851 1.00 52.04 C ATOM 897 OE1 GLU A 60 7.917 -6.706 9.640 1.00 22.32 O ATOM 898 OE2 GLU A 60 7.113 -8.703 9.237 1.00 4.45 O ATOM 0 H GLU A 60 8.729 -8.358 5.125 1.00 23.20 H new ATOM 0 HA GLU A 60 7.796 -5.738 5.148 1.00 3.03 H new ATOM 0 HB2 GLU A 60 9.581 -7.200 7.116 1.00 14.11 H new ATOM 0 HB3 GLU A 60 8.850 -5.638 7.430 1.00 14.11 H new ATOM 0 HG2 GLU A 60 6.597 -6.624 7.158 1.00 34.45 H new ATOM 0 HG3 GLU A 60 7.312 -8.184 6.804 1.00 34.45 H new ATOM 905 N PRO A 61 11.171 -5.761 5.174 1.00 12.35 N ATOM 906 CA PRO A 61 12.321 -4.935 4.792 1.00 73.13 C ATOM 907 C PRO A 61 12.335 -4.625 3.296 1.00 13.24 C ATOM 908 O PRO A 61 12.687 -3.513 2.901 1.00 33.53 O ATOM 909 CB PRO A 61 13.547 -5.770 5.196 1.00 14.34 C ATOM 910 CG PRO A 61 13.037 -7.161 5.345 1.00 50.11 C ATOM 911 CD PRO A 61 11.607 -7.026 5.788 1.00 44.10 C ATOM 0 HA PRO A 61 12.297 -3.962 5.283 1.00 73.13 H new ATOM 0 HB2 PRO A 61 14.328 -5.716 4.438 1.00 14.34 H new ATOM 0 HB3 PRO A 61 13.981 -5.407 6.128 1.00 14.34 H new ATOM 0 HG2 PRO A 61 13.105 -7.706 4.403 1.00 50.11 H new ATOM 0 HG3 PRO A 61 13.623 -7.716 6.078 1.00 50.11 H new ATOM 0 HD2 PRO A 61 11.001 -7.866 5.448 1.00 44.10 H new ATOM 0 HD3 PRO A 61 11.525 -6.993 6.874 1.00 44.10 H new ATOM 919 N GLN A 62 11.962 -5.602 2.455 1.00 22.41 N ATOM 920 CA GLN A 62 11.895 -5.357 1.011 1.00 31.03 C ATOM 921 C GLN A 62 10.942 -4.200 0.689 1.00 13.43 C ATOM 922 O GLN A 62 11.254 -3.335 -0.137 1.00 22.12 O ATOM 923 CB GLN A 62 11.474 -6.626 0.259 1.00 55.14 C ATOM 924 CG GLN A 62 12.431 -7.790 0.464 1.00 72.41 C ATOM 925 CD GLN A 62 12.134 -8.978 -0.440 1.00 74.13 C ATOM 926 OE1 GLN A 62 11.290 -9.888 0.025 1.00 62.42 O flip ATOM 927 NE2 GLN A 62 12.655 -9.074 -1.551 1.00 33.25 N flip ATOM 0 H GLN A 62 11.708 -6.547 2.743 1.00 22.41 H new ATOM 0 HA GLN A 62 12.894 -5.076 0.677 1.00 31.03 H new ATOM 0 HB2 GLN A 62 10.478 -6.921 0.588 1.00 55.14 H new ATOM 0 HB3 GLN A 62 11.406 -6.404 -0.806 1.00 55.14 H new ATOM 0 HG2 GLN A 62 13.451 -7.450 0.283 1.00 72.41 H new ATOM 0 HG3 GLN A 62 12.383 -8.112 1.504 1.00 72.41 H new ATOM 0 HE21 GLN A 62 13.300 -8.354 -1.876 1.00 33.25 H new ATOM 0 HE22 GLN A 62 12.442 -9.874 -2.147 1.00 33.25 H new ATOM 936 N LEU A 63 9.795 -4.176 1.361 1.00 3.40 N ATOM 937 CA LEU A 63 8.800 -3.121 1.162 1.00 32.52 C ATOM 938 C LEU A 63 9.319 -1.789 1.700 1.00 54.31 C ATOM 939 O LEU A 63 9.220 -0.760 1.028 1.00 32.42 O ATOM 940 CB LEU A 63 7.474 -3.498 1.840 1.00 30.33 C ATOM 941 CG LEU A 63 6.728 -4.680 1.197 1.00 1.22 C ATOM 942 CD1 LEU A 63 5.505 -5.071 2.023 1.00 22.22 C ATOM 943 CD2 LEU A 63 6.327 -4.343 -0.236 1.00 2.44 C ATOM 0 H LEU A 63 9.528 -4.878 2.052 1.00 3.40 H new ATOM 0 HA LEU A 63 8.620 -3.013 0.092 1.00 32.52 H new ATOM 0 HB2 LEU A 63 7.673 -3.738 2.884 1.00 30.33 H new ATOM 0 HB3 LEU A 63 6.819 -2.627 1.832 1.00 30.33 H new ATOM 0 HG LEU A 63 7.403 -5.535 1.174 1.00 1.22 H new ATOM 0 HD11 LEU A 63 4.996 -5.909 1.546 1.00 22.22 H new ATOM 0 HD12 LEU A 63 5.820 -5.361 3.025 1.00 22.22 H new ATOM 0 HD13 LEU A 63 4.824 -4.223 2.088 1.00 22.22 H new ATOM 0 HD21 LEU A 63 5.800 -5.190 -0.675 1.00 2.44 H new ATOM 0 HD22 LEU A 63 5.674 -3.470 -0.235 1.00 2.44 H new ATOM 0 HD23 LEU A 63 7.220 -4.127 -0.823 1.00 2.44 H new ATOM 955 N GLU A 64 9.891 -1.819 2.905 1.00 35.54 N ATOM 956 CA GLU A 64 10.488 -0.628 3.504 1.00 21.54 C ATOM 957 C GLU A 64 11.559 -0.059 2.574 1.00 15.35 C ATOM 958 O GLU A 64 11.705 1.155 2.442 1.00 54.32 O ATOM 959 CB GLU A 64 11.105 -0.953 4.876 1.00 74.31 C ATOM 960 CG GLU A 64 10.103 -1.464 5.911 1.00 23.14 C ATOM 961 CD GLU A 64 10.737 -1.709 7.274 1.00 12.11 C ATOM 962 OE1 GLU A 64 11.236 -2.828 7.521 1.00 10.44 O ATOM 963 OE2 GLU A 64 10.749 -0.779 8.110 1.00 64.45 O ATOM 0 H GLU A 64 9.953 -2.656 3.484 1.00 35.54 H new ATOM 0 HA GLU A 64 9.702 0.114 3.648 1.00 21.54 H new ATOM 0 HB2 GLU A 64 11.885 -1.702 4.742 1.00 74.31 H new ATOM 0 HB3 GLU A 64 11.587 -0.057 5.266 1.00 74.31 H new ATOM 0 HG2 GLU A 64 9.295 -0.740 6.016 1.00 23.14 H new ATOM 0 HG3 GLU A 64 9.656 -2.391 5.551 1.00 23.14 H new ATOM 970 N LYS A 65 12.284 -0.957 1.913 1.00 52.10 N ATOM 971 CA LYS A 65 13.350 -0.579 0.997 1.00 42.33 C ATOM 972 C LYS A 65 12.778 0.132 -0.221 1.00 60.40 C ATOM 973 O LYS A 65 13.207 1.237 -0.573 1.00 2.53 O ATOM 974 CB LYS A 65 14.136 -1.822 0.561 1.00 1.12 C ATOM 975 CG LYS A 65 15.178 -1.543 -0.515 1.00 73.14 C ATOM 976 CD LYS A 65 16.103 -2.739 -0.727 1.00 23.13 C ATOM 977 CE LYS A 65 17.345 -2.365 -1.526 1.00 43.42 C ATOM 978 NZ LYS A 65 18.193 -1.385 -0.798 1.00 54.55 N ATOM 0 H LYS A 65 12.148 -1.964 1.998 1.00 52.10 H new ATOM 0 HA LYS A 65 14.025 0.104 1.513 1.00 42.33 H new ATOM 0 HB2 LYS A 65 14.632 -2.251 1.432 1.00 1.12 H new ATOM 0 HB3 LYS A 65 13.437 -2.572 0.191 1.00 1.12 H new ATOM 0 HG2 LYS A 65 14.678 -1.299 -1.452 1.00 73.14 H new ATOM 0 HG3 LYS A 65 15.769 -0.671 -0.233 1.00 73.14 H new ATOM 0 HD2 LYS A 65 16.402 -3.142 0.241 1.00 23.13 H new ATOM 0 HD3 LYS A 65 15.561 -3.529 -1.248 1.00 23.13 H new ATOM 0 HE2 LYS A 65 17.926 -3.263 -1.737 1.00 43.42 H new ATOM 0 HE3 LYS A 65 17.047 -1.945 -2.487 1.00 43.42 H new ATOM 0 HZ1 LYS A 65 19.162 -1.419 -1.173 1.00 54.55 H new ATOM 0 HZ2 LYS A 65 17.806 -0.428 -0.926 1.00 54.55 H new ATOM 0 HZ3 LYS A 65 18.205 -1.621 0.215 1.00 54.55 H new ATOM 992 N LEU A 66 11.799 -0.504 -0.859 1.00 2.23 N ATOM 993 CA LEU A 66 11.164 0.077 -2.032 1.00 43.24 C ATOM 994 C LEU A 66 10.533 1.418 -1.670 1.00 24.14 C ATOM 995 O LEU A 66 10.519 2.350 -2.477 1.00 3.25 O ATOM 996 CB LEU A 66 10.098 -0.862 -2.623 1.00 34.22 C ATOM 997 CG LEU A 66 10.604 -2.221 -3.125 1.00 12.50 C ATOM 998 CD1 LEU A 66 9.503 -2.941 -3.895 1.00 64.41 C ATOM 999 CD2 LEU A 66 11.855 -2.058 -3.982 1.00 43.02 C ATOM 0 H LEU A 66 11.432 -1.415 -0.584 1.00 2.23 H new ATOM 0 HA LEU A 66 11.933 0.227 -2.789 1.00 43.24 H new ATOM 0 HB2 LEU A 66 9.336 -1.038 -1.864 1.00 34.22 H new ATOM 0 HB3 LEU A 66 9.610 -0.349 -3.452 1.00 34.22 H new ATOM 0 HG LEU A 66 10.875 -2.828 -2.261 1.00 12.50 H new ATOM 0 HD11 LEU A 66 9.874 -3.904 -4.246 1.00 64.41 H new ATOM 0 HD12 LEU A 66 8.645 -3.099 -3.241 1.00 64.41 H new ATOM 0 HD13 LEU A 66 9.201 -2.335 -4.749 1.00 64.41 H new ATOM 0 HD21 LEU A 66 12.192 -3.037 -4.324 1.00 43.02 H new ATOM 0 HD22 LEU A 66 11.626 -1.431 -4.844 1.00 43.02 H new ATOM 0 HD23 LEU A 66 12.642 -1.590 -3.391 1.00 43.02 H new ATOM 1011 N ALA A 67 10.031 1.506 -0.439 1.00 31.34 N ATOM 1012 CA ALA A 67 9.459 2.741 0.069 1.00 23.43 C ATOM 1013 C ALA A 67 10.524 3.829 0.066 1.00 52.41 C ATOM 1014 O ALA A 67 10.334 4.884 -0.520 1.00 41.41 O ATOM 1015 CB ALA A 67 8.893 2.539 1.473 1.00 32.23 C ATOM 0 H ALA A 67 10.011 0.730 0.223 1.00 31.34 H new ATOM 0 HA ALA A 67 8.636 3.046 -0.577 1.00 23.43 H new ATOM 0 HB1 ALA A 67 8.470 3.477 1.833 1.00 32.23 H new ATOM 0 HB2 ALA A 67 8.114 1.777 1.445 1.00 32.23 H new ATOM 0 HB3 ALA A 67 9.690 2.219 2.144 1.00 32.23 H new ATOM 1021 N GLN A 68 11.663 3.540 0.694 1.00 23.33 N ATOM 1022 CA GLN A 68 12.785 4.482 0.746 1.00 33.44 C ATOM 1023 C GLN A 68 13.179 4.940 -0.656 1.00 75.31 C ATOM 1024 O GLN A 68 13.448 6.120 -0.882 1.00 5.03 O ATOM 1025 CB GLN A 68 13.999 3.840 1.429 1.00 72.44 C ATOM 1026 CG GLN A 68 13.788 3.518 2.900 1.00 33.22 C ATOM 1027 CD GLN A 68 15.063 3.043 3.571 1.00 71.02 C ATOM 1028 OE1 GLN A 68 15.364 1.849 3.591 1.00 45.04 O ATOM 1029 NE2 GLN A 68 15.837 3.977 4.099 1.00 62.11 N ATOM 0 H GLN A 68 11.835 2.658 1.176 1.00 23.33 H new ATOM 0 HA GLN A 68 12.462 5.348 1.324 1.00 33.44 H new ATOM 0 HB2 GLN A 68 14.256 2.922 0.901 1.00 72.44 H new ATOM 0 HB3 GLN A 68 14.852 4.511 1.334 1.00 72.44 H new ATOM 0 HG2 GLN A 68 13.417 4.404 3.415 1.00 33.22 H new ATOM 0 HG3 GLN A 68 13.021 2.749 2.996 1.00 33.22 H new ATOM 0 HE21 GLN A 68 15.553 4.956 4.062 1.00 62.11 H new ATOM 0 HE22 GLN A 68 16.718 3.718 4.543 1.00 62.11 H new ATOM 1038 N GLN A 69 13.205 3.994 -1.587 1.00 15.42 N ATOM 1039 CA GLN A 69 13.609 4.264 -2.965 1.00 31.01 C ATOM 1040 C GLN A 69 12.615 5.199 -3.666 1.00 22.02 C ATOM 1041 O GLN A 69 13.009 6.160 -4.324 1.00 43.42 O ATOM 1042 CB GLN A 69 13.725 2.937 -3.737 1.00 60.21 C ATOM 1043 CG GLN A 69 14.124 3.085 -5.203 1.00 71.14 C ATOM 1044 CD GLN A 69 15.483 3.735 -5.390 1.00 1.45 C ATOM 1045 OE1 GLN A 69 16.374 3.603 -4.548 1.00 51.34 O ATOM 1046 NE2 GLN A 69 15.655 4.436 -6.498 1.00 54.12 N ATOM 0 H GLN A 69 12.948 3.023 -1.411 1.00 15.42 H new ATOM 0 HA GLN A 69 14.578 4.763 -2.948 1.00 31.01 H new ATOM 0 HB2 GLN A 69 14.458 2.304 -3.237 1.00 60.21 H new ATOM 0 HB3 GLN A 69 12.768 2.418 -3.686 1.00 60.21 H new ATOM 0 HG2 GLN A 69 14.131 2.101 -5.672 1.00 71.14 H new ATOM 0 HG3 GLN A 69 13.370 3.679 -5.720 1.00 71.14 H new ATOM 0 HE21 GLN A 69 14.893 4.522 -7.171 1.00 54.12 H new ATOM 0 HE22 GLN A 69 16.550 4.891 -6.680 1.00 54.12 H new ATOM 1055 N TYR A 70 11.330 4.907 -3.514 1.00 22.24 N ATOM 1056 CA TYR A 70 10.272 5.588 -4.267 1.00 62.35 C ATOM 1057 C TYR A 70 9.495 6.600 -3.416 1.00 52.44 C ATOM 1058 O TYR A 70 8.529 7.181 -3.895 1.00 13.50 O ATOM 1059 CB TYR A 70 9.309 4.556 -4.870 1.00 3.23 C ATOM 1060 CG TYR A 70 9.973 3.584 -5.831 1.00 71.44 C ATOM 1061 CD1 TYR A 70 10.477 4.017 -7.054 1.00 52.44 C ATOM 1062 CD2 TYR A 70 10.097 2.232 -5.514 1.00 1.33 C ATOM 1063 CE1 TYR A 70 11.084 3.136 -7.930 1.00 4.14 C ATOM 1064 CE2 TYR A 70 10.702 1.347 -6.386 1.00 73.01 C ATOM 1065 CZ TYR A 70 11.195 1.804 -7.590 1.00 70.11 C ATOM 1066 OH TYR A 70 11.801 0.924 -8.460 1.00 4.25 O ATOM 0 H TYR A 70 10.987 4.195 -2.869 1.00 22.24 H new ATOM 0 HA TYR A 70 10.759 6.151 -5.064 1.00 62.35 H new ATOM 0 HB2 TYR A 70 8.843 3.992 -4.062 1.00 3.23 H new ATOM 0 HB3 TYR A 70 8.510 5.081 -5.394 1.00 3.23 H new ATOM 0 HD1 TYR A 70 10.392 5.059 -7.324 1.00 52.44 H new ATOM 0 HD2 TYR A 70 9.714 1.870 -4.571 1.00 1.33 H new ATOM 0 HE1 TYR A 70 11.469 3.489 -8.875 1.00 4.14 H new ATOM 0 HE2 TYR A 70 10.788 0.302 -6.126 1.00 73.01 H new ATOM 0 HH TYR A 70 11.799 0.025 -8.070 1.00 4.25 H new ATOM 1076 N THR A 71 9.918 6.807 -2.171 1.00 63.43 N ATOM 1077 CA THR A 71 9.133 7.556 -1.171 1.00 24.44 C ATOM 1078 C THR A 71 8.686 8.951 -1.636 1.00 23.05 C ATOM 1079 O THR A 71 7.745 9.513 -1.074 1.00 40.22 O ATOM 1080 CB THR A 71 9.920 7.710 0.156 1.00 73.42 C ATOM 1081 OG1 THR A 71 9.108 8.354 1.149 1.00 4.23 O ATOM 1082 CG2 THR A 71 11.207 8.511 -0.049 1.00 21.11 C ATOM 0 H THR A 71 10.812 6.464 -1.819 1.00 63.43 H new ATOM 0 HA THR A 71 8.235 6.957 -1.022 1.00 24.44 H new ATOM 0 HB THR A 71 10.186 6.710 0.498 1.00 73.42 H new ATOM 0 HG1 THR A 71 8.396 8.864 0.709 1.00 4.23 H new ATOM 0 HG21 THR A 71 11.735 8.601 0.900 1.00 21.11 H new ATOM 0 HG22 THR A 71 11.843 7.999 -0.771 1.00 21.11 H new ATOM 0 HG23 THR A 71 10.961 9.505 -0.423 1.00 21.11 H new ATOM 1090 N GLU A 72 9.351 9.516 -2.640 1.00 61.50 N ATOM 1091 CA GLU A 72 8.979 10.841 -3.145 1.00 2.31 C ATOM 1092 C GLU A 72 7.677 10.772 -3.948 1.00 70.51 C ATOM 1093 O GLU A 72 6.967 11.769 -4.091 1.00 53.54 O ATOM 1094 CB GLU A 72 10.114 11.424 -3.999 1.00 30.12 C ATOM 1095 CG GLU A 72 11.404 11.659 -3.219 1.00 21.43 C ATOM 1096 CD GLU A 72 11.215 12.605 -2.040 1.00 61.40 C ATOM 1097 OE1 GLU A 72 11.121 13.831 -2.262 1.00 73.34 O ATOM 1098 OE2 GLU A 72 11.154 12.131 -0.883 1.00 72.01 O ATOM 0 H GLU A 72 10.142 9.085 -3.118 1.00 61.50 H new ATOM 0 HA GLU A 72 8.814 11.500 -2.293 1.00 2.31 H new ATOM 0 HB2 GLU A 72 10.319 10.747 -4.828 1.00 30.12 H new ATOM 0 HB3 GLU A 72 9.784 12.368 -4.432 1.00 30.12 H new ATOM 0 HG2 GLU A 72 11.783 10.704 -2.856 1.00 21.43 H new ATOM 0 HG3 GLU A 72 12.160 12.068 -3.890 1.00 21.43 H new ATOM 1105 N ASN A 73 7.378 9.584 -4.465 1.00 5.30 N ATOM 1106 CA ASN A 73 6.163 9.343 -5.249 1.00 50.44 C ATOM 1107 C ASN A 73 5.282 8.292 -4.569 1.00 71.30 C ATOM 1108 O ASN A 73 4.101 8.157 -4.889 1.00 22.34 O ATOM 1109 CB ASN A 73 6.523 8.855 -6.663 1.00 13.31 C ATOM 1110 CG ASN A 73 7.411 9.823 -7.430 1.00 65.21 C ATOM 1111 OD1 ASN A 73 7.322 11.040 -7.269 1.00 2.04 O ATOM 1112 ND2 ASN A 73 8.282 9.284 -8.274 1.00 12.32 N ATOM 0 H ASN A 73 7.968 8.759 -4.354 1.00 5.30 H new ATOM 0 HA ASN A 73 5.617 10.284 -5.316 1.00 50.44 H new ATOM 0 HB2 ASN A 73 7.028 7.892 -6.589 1.00 13.31 H new ATOM 0 HB3 ASN A 73 5.605 8.691 -7.227 1.00 13.31 H new ATOM 0 HD21 ASN A 73 8.906 9.883 -8.815 1.00 12.32 H new ATOM 0 HD22 ASN A 73 8.328 8.271 -8.382 1.00 12.32 H new ATOM 1119 N VAL A 74 5.870 7.554 -3.629 1.00 41.22 N ATOM 1120 CA VAL A 74 5.212 6.415 -2.992 1.00 23.15 C ATOM 1121 C VAL A 74 5.075 6.622 -1.488 1.00 53.20 C ATOM 1122 O VAL A 74 6.024 7.019 -0.813 1.00 75.34 O ATOM 1123 CB VAL A 74 5.999 5.097 -3.254 1.00 11.22 C ATOM 1124 CG1 VAL A 74 5.593 3.985 -2.278 1.00 33.21 C ATOM 1125 CG2 VAL A 74 5.801 4.638 -4.697 1.00 61.41 C ATOM 0 H VAL A 74 6.815 7.729 -3.288 1.00 41.22 H new ATOM 0 HA VAL A 74 4.218 6.336 -3.431 1.00 23.15 H new ATOM 0 HB VAL A 74 7.056 5.307 -3.089 1.00 11.22 H new ATOM 0 HG11 VAL A 74 6.165 3.083 -2.495 1.00 33.21 H new ATOM 0 HG12 VAL A 74 5.795 4.306 -1.256 1.00 33.21 H new ATOM 0 HG13 VAL A 74 4.529 3.775 -2.388 1.00 33.21 H new ATOM 0 HG21 VAL A 74 6.357 3.716 -4.865 1.00 61.41 H new ATOM 0 HG22 VAL A 74 4.741 4.461 -4.880 1.00 61.41 H new ATOM 0 HG23 VAL A 74 6.163 5.409 -5.377 1.00 61.41 H new ATOM 1135 N LYS A 75 3.882 6.346 -0.980 1.00 33.11 N ATOM 1136 CA LYS A 75 3.617 6.358 0.453 1.00 73.35 C ATOM 1137 C LYS A 75 2.878 5.081 0.838 1.00 25.43 C ATOM 1138 O LYS A 75 1.795 4.807 0.320 1.00 32.11 O ATOM 1139 CB LYS A 75 2.796 7.602 0.838 1.00 54.11 C ATOM 1140 CG LYS A 75 3.622 8.884 0.963 1.00 44.44 C ATOM 1141 CD LYS A 75 4.584 8.839 2.155 1.00 4.04 C ATOM 1142 CE LYS A 75 3.845 8.739 3.492 1.00 24.30 C ATOM 1143 NZ LYS A 75 4.773 8.790 4.658 1.00 21.14 N ATOM 0 H LYS A 75 3.070 6.107 -1.549 1.00 33.11 H new ATOM 0 HA LYS A 75 4.561 6.400 0.996 1.00 73.35 H new ATOM 0 HB2 LYS A 75 2.018 7.756 0.090 1.00 54.11 H new ATOM 0 HB3 LYS A 75 2.294 7.413 1.787 1.00 54.11 H new ATOM 0 HG2 LYS A 75 4.190 9.039 0.046 1.00 44.44 H new ATOM 0 HG3 LYS A 75 2.952 9.737 1.071 1.00 44.44 H new ATOM 0 HD2 LYS A 75 5.253 7.986 2.047 1.00 4.04 H new ATOM 0 HD3 LYS A 75 5.206 9.734 2.152 1.00 4.04 H new ATOM 0 HE2 LYS A 75 3.125 9.554 3.568 1.00 24.30 H new ATOM 0 HE3 LYS A 75 3.278 7.808 3.522 1.00 24.30 H new ATOM 0 HZ1 LYS A 75 4.223 8.890 5.535 1.00 21.14 H new ATOM 0 HZ2 LYS A 75 5.331 7.913 4.697 1.00 21.14 H new ATOM 0 HZ3 LYS A 75 5.413 9.603 4.557 1.00 21.14 H new ATOM 1157 N ILE A 76 3.477 4.290 1.723 1.00 65.24 N ATOM 1158 CA ILE A 76 2.868 3.046 2.176 1.00 60.41 C ATOM 1159 C ILE A 76 2.197 3.257 3.526 1.00 1.21 C ATOM 1160 O ILE A 76 2.730 3.951 4.395 1.00 71.20 O ATOM 1161 CB ILE A 76 3.908 1.900 2.286 1.00 63.12 C ATOM 1162 CG1 ILE A 76 4.526 1.601 0.906 1.00 21.21 C ATOM 1163 CG2 ILE A 76 3.264 0.643 2.873 1.00 63.33 C ATOM 1164 CD1 ILE A 76 5.582 0.514 0.924 1.00 52.31 C ATOM 0 H ILE A 76 4.386 4.490 2.141 1.00 65.24 H new ATOM 0 HA ILE A 76 2.125 2.755 1.434 1.00 60.41 H new ATOM 0 HB ILE A 76 4.704 2.220 2.958 1.00 63.12 H new ATOM 0 HG12 ILE A 76 3.731 1.309 0.219 1.00 21.21 H new ATOM 0 HG13 ILE A 76 4.968 2.516 0.512 1.00 21.21 H new ATOM 0 HG21 ILE A 76 4.009 -0.149 2.942 1.00 63.33 H new ATOM 0 HG22 ILE A 76 2.876 0.864 3.867 1.00 63.33 H new ATOM 0 HG23 ILE A 76 2.447 0.318 2.228 1.00 63.33 H new ATOM 0 HD11 ILE A 76 5.967 0.364 -0.085 1.00 52.31 H new ATOM 0 HD12 ILE A 76 6.398 0.810 1.583 1.00 52.31 H new ATOM 0 HD13 ILE A 76 5.142 -0.415 1.286 1.00 52.31 H new ATOM 1176 N TYR A 77 1.024 2.662 3.690 1.00 53.30 N ATOM 1177 CA TYR A 77 0.250 2.779 4.914 1.00 34.22 C ATOM 1178 C TYR A 77 -0.171 1.400 5.398 1.00 75.54 C ATOM 1179 O TYR A 77 -0.330 0.474 4.600 1.00 14.22 O ATOM 1180 CB TYR A 77 -0.985 3.659 4.684 1.00 60.03 C ATOM 1181 CG TYR A 77 -0.658 5.116 4.411 1.00 10.35 C ATOM 1182 CD1 TYR A 77 -0.508 6.020 5.456 1.00 72.50 C ATOM 1183 CD2 TYR A 77 -0.501 5.588 3.112 1.00 71.40 C ATOM 1184 CE1 TYR A 77 -0.211 7.346 5.217 1.00 22.12 C ATOM 1185 CE2 TYR A 77 -0.202 6.915 2.866 1.00 0.24 C ATOM 1186 CZ TYR A 77 -0.057 7.789 3.924 1.00 65.03 C ATOM 1187 OH TYR A 77 0.243 9.112 3.689 1.00 61.43 O ATOM 0 H TYR A 77 0.583 2.083 2.975 1.00 53.30 H new ATOM 0 HA TYR A 77 0.872 3.247 5.677 1.00 34.22 H new ATOM 0 HB2 TYR A 77 -1.552 3.260 3.843 1.00 60.03 H new ATOM 0 HB3 TYR A 77 -1.630 3.599 5.560 1.00 60.03 H new ATOM 0 HD1 TYR A 77 -0.626 5.678 6.474 1.00 72.50 H new ATOM 0 HD2 TYR A 77 -0.615 4.906 2.282 1.00 71.40 H new ATOM 0 HE1 TYR A 77 -0.100 8.034 6.042 1.00 22.12 H new ATOM 0 HE2 TYR A 77 -0.083 7.266 1.852 1.00 0.24 H new ATOM 0 HH TYR A 77 0.320 9.264 2.724 1.00 61.43 H new ATOM 1197 N LYS A 78 -0.343 1.265 6.706 1.00 24.21 N ATOM 1198 CA LYS A 78 -0.753 -0.002 7.301 1.00 65.24 C ATOM 1199 C LYS A 78 -1.867 0.223 8.322 1.00 12.43 C ATOM 1200 O LYS A 78 -1.646 0.807 9.387 1.00 64.21 O ATOM 1201 CB LYS A 78 0.452 -0.703 7.952 1.00 14.25 C ATOM 1202 CG LYS A 78 0.125 -2.063 8.575 1.00 32.14 C ATOM 1203 CD LYS A 78 1.384 -2.795 9.048 1.00 13.23 C ATOM 1204 CE LYS A 78 2.308 -3.169 7.889 1.00 0.12 C ATOM 1205 NZ LYS A 78 1.708 -4.207 7.002 1.00 71.14 N ATOM 0 H LYS A 78 -0.205 2.020 7.378 1.00 24.21 H new ATOM 0 HA LYS A 78 -1.139 -0.648 6.513 1.00 65.24 H new ATOM 0 HB2 LYS A 78 1.230 -0.838 7.200 1.00 14.25 H new ATOM 0 HB3 LYS A 78 0.864 -0.052 8.723 1.00 14.25 H new ATOM 0 HG2 LYS A 78 -0.551 -1.922 9.418 1.00 32.14 H new ATOM 0 HG3 LYS A 78 -0.400 -2.679 7.845 1.00 32.14 H new ATOM 0 HD2 LYS A 78 1.926 -2.164 9.752 1.00 13.23 H new ATOM 0 HD3 LYS A 78 1.096 -3.698 9.586 1.00 13.23 H new ATOM 0 HE2 LYS A 78 2.531 -2.278 7.303 1.00 0.12 H new ATOM 0 HE3 LYS A 78 3.255 -3.536 8.285 1.00 0.12 H new ATOM 0 HZ1 LYS A 78 2.465 -4.717 6.503 1.00 71.14 H new ATOM 0 HZ2 LYS A 78 1.158 -4.878 7.576 1.00 71.14 H new ATOM 0 HZ3 LYS A 78 1.082 -3.751 6.308 1.00 71.14 H new ATOM 1219 N ILE A 79 -3.067 -0.225 7.971 1.00 21.14 N ATOM 1220 CA ILE A 79 -4.217 -0.158 8.871 1.00 10.12 C ATOM 1221 C ILE A 79 -4.148 -1.284 9.910 1.00 54.10 C ATOM 1222 O ILE A 79 -4.921 -2.238 9.881 1.00 72.11 O ATOM 1223 CB ILE A 79 -5.576 -0.185 8.094 1.00 71.12 C ATOM 1224 CG1 ILE A 79 -5.486 -1.028 6.797 1.00 33.54 C ATOM 1225 CG2 ILE A 79 -6.028 1.238 7.762 1.00 31.34 C ATOM 1226 CD1 ILE A 79 -5.201 -2.503 7.005 1.00 42.10 C ATOM 0 H ILE A 79 -3.272 -0.642 7.063 1.00 21.14 H new ATOM 0 HA ILE A 79 -4.173 0.798 9.392 1.00 10.12 H new ATOM 0 HB ILE A 79 -6.312 -0.656 8.745 1.00 71.12 H new ATOM 0 HG12 ILE A 79 -6.425 -0.929 6.252 1.00 33.54 H new ATOM 0 HG13 ILE A 79 -4.704 -0.609 6.164 1.00 33.54 H new ATOM 0 HG21 ILE A 79 -6.974 1.203 7.222 1.00 31.34 H new ATOM 0 HG22 ILE A 79 -6.158 1.803 8.685 1.00 31.34 H new ATOM 0 HG23 ILE A 79 -5.274 1.724 7.142 1.00 31.34 H new ATOM 0 HD11 ILE A 79 -5.157 -3.005 6.038 1.00 42.10 H new ATOM 0 HD12 ILE A 79 -4.247 -2.620 7.518 1.00 42.10 H new ATOM 0 HD13 ILE A 79 -5.994 -2.945 7.608 1.00 42.10 H new ATOM 1238 N ASN A 80 -3.193 -1.157 10.825 1.00 75.14 N ATOM 1239 CA ASN A 80 -2.894 -2.214 11.796 1.00 42.11 C ATOM 1240 C ASN A 80 -3.942 -2.248 12.914 1.00 23.40 C ATOM 1241 O ASN A 80 -4.006 -3.201 13.692 1.00 22.33 O ATOM 1242 CB ASN A 80 -1.488 -1.994 12.379 1.00 14.22 C ATOM 1243 CG ASN A 80 -0.786 -3.275 12.831 1.00 5.14 C ATOM 1244 OD1 ASN A 80 0.438 -3.373 12.748 1.00 43.32 O ATOM 1245 ND2 ASN A 80 -1.532 -4.262 13.314 1.00 50.30 N ATOM 0 H ASN A 80 -2.607 -0.328 10.918 1.00 75.14 H new ATOM 0 HA ASN A 80 -2.924 -3.177 11.286 1.00 42.11 H new ATOM 0 HB2 ASN A 80 -0.870 -1.500 11.629 1.00 14.22 H new ATOM 0 HB3 ASN A 80 -1.562 -1.315 13.229 1.00 14.22 H new ATOM 0 HD21 ASN A 80 -1.092 -5.127 13.627 1.00 50.30 H new ATOM 0 HD22 ASN A 80 -2.545 -4.155 13.372 1.00 50.30 H new ATOM 1252 N ILE A 81 -4.760 -1.202 12.992 1.00 41.22 N ATOM 1253 CA ILE A 81 -5.815 -1.128 14.000 1.00 24.01 C ATOM 1254 C ILE A 81 -6.880 -2.195 13.727 1.00 40.44 C ATOM 1255 O ILE A 81 -7.646 -2.084 12.767 1.00 74.54 O ATOM 1256 CB ILE A 81 -6.473 0.277 14.034 1.00 14.31 C ATOM 1257 CG1 ILE A 81 -5.412 1.357 14.317 1.00 71.52 C ATOM 1258 CG2 ILE A 81 -7.590 0.325 15.082 1.00 3.22 C ATOM 1259 CD1 ILE A 81 -5.965 2.768 14.362 1.00 42.31 C ATOM 0 H ILE A 81 -4.713 -0.395 12.370 1.00 41.22 H new ATOM 0 HA ILE A 81 -5.358 -1.310 14.973 1.00 24.01 H new ATOM 0 HB ILE A 81 -6.916 0.476 13.058 1.00 14.31 H new ATOM 0 HG12 ILE A 81 -4.929 1.137 15.269 1.00 71.52 H new ATOM 0 HG13 ILE A 81 -4.641 1.304 13.548 1.00 71.52 H new ATOM 0 HG21 ILE A 81 -8.039 1.318 15.090 1.00 3.22 H new ATOM 0 HG22 ILE A 81 -8.352 -0.415 14.836 1.00 3.22 H new ATOM 0 HG23 ILE A 81 -7.175 0.106 16.066 1.00 3.22 H new ATOM 0 HD11 ILE A 81 -5.156 3.470 14.566 1.00 42.31 H new ATOM 0 HD12 ILE A 81 -6.422 3.010 13.403 1.00 42.31 H new ATOM 0 HD13 ILE A 81 -6.715 2.840 15.150 1.00 42.31 H new ATOM 1271 N GLU A 82 -6.914 -3.220 14.577 1.00 41.21 N ATOM 1272 CA GLU A 82 -7.812 -4.366 14.403 1.00 45.41 C ATOM 1273 C GLU A 82 -9.276 -3.930 14.270 1.00 23.21 C ATOM 1274 O GLU A 82 -10.045 -4.510 13.499 1.00 52.33 O ATOM 1275 CB GLU A 82 -7.652 -5.354 15.576 1.00 50.25 C ATOM 1276 CG GLU A 82 -8.176 -4.852 16.925 1.00 61.53 C ATOM 1277 CD GLU A 82 -7.491 -3.581 17.414 1.00 3.31 C ATOM 1278 OE1 GLU A 82 -6.349 -3.661 17.915 1.00 73.30 O ATOM 1279 OE2 GLU A 82 -8.092 -2.492 17.302 1.00 35.42 O ATOM 0 H GLU A 82 -6.322 -3.282 15.405 1.00 41.21 H new ATOM 0 HA GLU A 82 -7.533 -4.864 13.475 1.00 45.41 H new ATOM 0 HB2 GLU A 82 -8.170 -6.279 15.324 1.00 50.25 H new ATOM 0 HB3 GLU A 82 -6.595 -5.599 15.683 1.00 50.25 H new ATOM 0 HG2 GLU A 82 -9.247 -4.668 16.843 1.00 61.53 H new ATOM 0 HG3 GLU A 82 -8.043 -5.636 17.671 1.00 61.53 H new ATOM 1286 N ASP A 83 -9.648 -2.888 15.005 1.00 24.30 N ATOM 1287 CA ASP A 83 -11.025 -2.394 15.013 1.00 4.22 C ATOM 1288 C ASP A 83 -11.363 -1.702 13.697 1.00 1.25 C ATOM 1289 O ASP A 83 -12.529 -1.597 13.311 1.00 43.13 O ATOM 1290 CB ASP A 83 -11.223 -1.425 16.186 1.00 41.23 C ATOM 1291 CG ASP A 83 -12.628 -0.847 16.242 1.00 1.12 C ATOM 1292 OD1 ASP A 83 -13.531 -1.522 16.781 1.00 24.02 O ATOM 1293 OD2 ASP A 83 -12.834 0.287 15.755 1.00 5.31 O ATOM 0 H ASP A 83 -9.013 -2.365 15.607 1.00 24.30 H new ATOM 0 HA ASP A 83 -11.697 -3.244 15.131 1.00 4.22 H new ATOM 0 HB2 ASP A 83 -11.011 -1.945 17.120 1.00 41.23 H new ATOM 0 HB3 ASP A 83 -10.503 -0.611 16.104 1.00 41.23 H new ATOM 1298 N ASN A 84 -10.330 -1.253 12.995 1.00 60.51 N ATOM 1299 CA ASN A 84 -10.495 -0.480 11.764 1.00 24.13 C ATOM 1300 C ASN A 84 -10.241 -1.338 10.524 1.00 21.13 C ATOM 1301 O ASN A 84 -9.949 -0.815 9.446 1.00 4.14 O ATOM 1302 CB ASN A 84 -9.549 0.733 11.773 1.00 44.24 C ATOM 1303 CG ASN A 84 -10.062 1.909 12.597 1.00 21.41 C ATOM 1304 OD1 ASN A 84 -9.755 3.062 12.294 1.00 53.12 O ATOM 1305 ND2 ASN A 84 -10.832 1.639 13.643 1.00 51.11 N ATOM 0 H ASN A 84 -9.358 -1.412 13.259 1.00 60.51 H new ATOM 0 HA ASN A 84 -11.527 -0.132 11.722 1.00 24.13 H new ATOM 0 HB2 ASN A 84 -8.580 0.423 12.164 1.00 44.24 H new ATOM 0 HB3 ASN A 84 -9.388 1.064 10.747 1.00 44.24 H new ATOM 0 HD21 ASN A 84 -11.188 2.398 14.223 1.00 51.11 H new ATOM 0 HD22 ASN A 84 -11.068 0.672 13.867 1.00 51.11 H new ATOM 1312 N GLN A 85 -10.389 -2.655 10.664 1.00 45.31 N ATOM 1313 CA GLN A 85 -10.196 -3.574 9.537 1.00 52.33 C ATOM 1314 C GLN A 85 -11.391 -3.558 8.577 1.00 0.15 C ATOM 1315 O GLN A 85 -11.497 -4.414 7.699 1.00 20.43 O ATOM 1316 CB GLN A 85 -9.939 -5.003 10.040 1.00 23.42 C ATOM 1317 CG GLN A 85 -8.565 -5.188 10.681 1.00 64.25 C ATOM 1318 CD GLN A 85 -8.355 -6.576 11.283 1.00 72.21 C ATOM 1319 OE1 GLN A 85 -9.421 -7.192 11.770 1.00 3.40 O flip ATOM 1320 NE2 GLN A 85 -7.238 -7.088 11.317 1.00 43.32 N flip ATOM 0 H GLN A 85 -10.641 -3.110 11.541 1.00 45.31 H new ATOM 0 HA GLN A 85 -9.321 -3.229 8.985 1.00 52.33 H new ATOM 0 HB2 GLN A 85 -10.708 -5.267 10.766 1.00 23.42 H new ATOM 0 HB3 GLN A 85 -10.037 -5.696 9.205 1.00 23.42 H new ATOM 0 HG2 GLN A 85 -7.795 -5.006 9.931 1.00 64.25 H new ATOM 0 HG3 GLN A 85 -8.433 -4.439 11.461 1.00 64.25 H new ATOM 0 HE21 GLN A 85 -6.436 -6.588 10.933 1.00 43.32 H new ATOM 0 HE22 GLN A 85 -7.113 -8.013 11.729 1.00 43.32 H new ATOM 1329 N ASP A 86 -12.271 -2.572 8.731 1.00 63.03 N ATOM 1330 CA ASP A 86 -13.412 -2.403 7.829 1.00 53.43 C ATOM 1331 C ASP A 86 -12.947 -2.358 6.376 1.00 22.24 C ATOM 1332 O ASP A 86 -13.598 -2.908 5.487 1.00 31.43 O ATOM 1333 CB ASP A 86 -14.179 -1.120 8.177 1.00 61.20 C ATOM 1334 CG ASP A 86 -15.361 -0.859 7.250 1.00 73.11 C ATOM 1335 OD1 ASP A 86 -16.251 -1.730 7.156 1.00 33.33 O ATOM 1336 OD2 ASP A 86 -15.409 0.224 6.625 1.00 41.44 O ATOM 0 H ASP A 86 -12.217 -1.875 9.474 1.00 63.03 H new ATOM 0 HA ASP A 86 -14.077 -3.257 7.953 1.00 53.43 H new ATOM 0 HB2 ASP A 86 -14.538 -1.186 9.204 1.00 61.20 H new ATOM 0 HB3 ASP A 86 -13.496 -0.272 8.132 1.00 61.20 H new ATOM 1341 N VAL A 87 -11.789 -1.735 6.156 1.00 54.33 N ATOM 1342 CA VAL A 87 -11.195 -1.631 4.824 1.00 42.32 C ATOM 1343 C VAL A 87 -11.085 -3.012 4.173 1.00 62.42 C ATOM 1344 O VAL A 87 -11.271 -3.160 2.961 1.00 71.35 O ATOM 1345 CB VAL A 87 -9.786 -0.981 4.886 1.00 21.14 C ATOM 1346 CG1 VAL A 87 -9.171 -0.856 3.489 1.00 75.54 C ATOM 1347 CG2 VAL A 87 -9.850 0.379 5.582 1.00 23.23 C ATOM 0 H VAL A 87 -11.239 -1.291 6.892 1.00 54.33 H new ATOM 0 HA VAL A 87 -11.849 -0.998 4.224 1.00 42.32 H new ATOM 0 HB VAL A 87 -9.139 -1.633 5.473 1.00 21.14 H new ATOM 0 HG11 VAL A 87 -8.185 -0.397 3.565 1.00 75.54 H new ATOM 0 HG12 VAL A 87 -9.077 -1.846 3.043 1.00 75.54 H new ATOM 0 HG13 VAL A 87 -9.812 -0.235 2.863 1.00 75.54 H new ATOM 0 HG21 VAL A 87 -8.853 0.818 5.615 1.00 23.23 H new ATOM 0 HG22 VAL A 87 -10.519 1.039 5.030 1.00 23.23 H new ATOM 0 HG23 VAL A 87 -10.224 0.251 6.598 1.00 23.23 H new ATOM 1357 N ALA A 88 -10.812 -4.022 4.995 1.00 41.11 N ATOM 1358 CA ALA A 88 -10.693 -5.394 4.522 1.00 52.20 C ATOM 1359 C ALA A 88 -12.022 -5.872 3.940 1.00 25.35 C ATOM 1360 O ALA A 88 -12.085 -6.376 2.815 1.00 5.21 O ATOM 1361 CB ALA A 88 -10.242 -6.304 5.665 1.00 24.01 C ATOM 0 H ALA A 88 -10.669 -3.912 5.999 1.00 41.11 H new ATOM 0 HA ALA A 88 -9.943 -5.433 3.732 1.00 52.20 H new ATOM 0 HB1 ALA A 88 -10.156 -7.328 5.302 1.00 24.01 H new ATOM 0 HB2 ALA A 88 -9.274 -5.968 6.037 1.00 24.01 H new ATOM 0 HB3 ALA A 88 -10.974 -6.265 6.471 1.00 24.01 H new ATOM 1367 N THR A 89 -13.089 -5.679 4.708 1.00 64.15 N ATOM 1368 CA THR A 89 -14.426 -6.094 4.301 1.00 12.23 C ATOM 1369 C THR A 89 -14.907 -5.275 3.100 1.00 32.15 C ATOM 1370 O THR A 89 -15.651 -5.772 2.252 1.00 53.04 O ATOM 1371 CB THR A 89 -15.421 -5.942 5.475 1.00 41.01 C ATOM 1372 OG1 THR A 89 -14.902 -6.613 6.633 1.00 2.52 O ATOM 1373 CG2 THR A 89 -16.793 -6.513 5.125 1.00 21.14 C ATOM 0 H THR A 89 -13.052 -5.233 5.625 1.00 64.15 H new ATOM 0 HA THR A 89 -14.380 -7.144 4.011 1.00 12.23 H new ATOM 0 HB THR A 89 -15.541 -4.878 5.681 1.00 41.01 H new ATOM 0 HG1 THR A 89 -15.532 -6.515 7.377 1.00 2.52 H new ATOM 0 HG21 THR A 89 -17.466 -6.389 5.973 1.00 21.14 H new ATOM 0 HG22 THR A 89 -17.197 -5.985 4.261 1.00 21.14 H new ATOM 0 HG23 THR A 89 -16.697 -7.573 4.890 1.00 21.14 H new ATOM 1381 N GLN A 90 -14.460 -4.023 3.025 1.00 52.21 N ATOM 1382 CA GLN A 90 -14.852 -3.132 1.936 1.00 63.20 C ATOM 1383 C GLN A 90 -14.261 -3.602 0.606 1.00 34.44 C ATOM 1384 O GLN A 90 -14.984 -3.803 -0.371 1.00 41.11 O ATOM 1385 CB GLN A 90 -14.405 -1.689 2.227 1.00 34.31 C ATOM 1386 CG GLN A 90 -14.998 -1.096 3.500 1.00 23.42 C ATOM 1387 CD GLN A 90 -16.517 -1.105 3.506 1.00 40.34 C ATOM 1388 OE1 GLN A 90 -17.157 -0.173 3.018 1.00 33.43 O ATOM 1389 NE2 GLN A 90 -17.107 -2.144 4.079 1.00 40.34 N ATOM 0 H GLN A 90 -13.826 -3.603 3.705 1.00 52.21 H new ATOM 0 HA GLN A 90 -15.939 -3.156 1.861 1.00 63.20 H new ATOM 0 HB2 GLN A 90 -13.318 -1.665 2.301 1.00 34.31 H new ATOM 0 HB3 GLN A 90 -14.681 -1.058 1.382 1.00 34.31 H new ATOM 0 HG2 GLN A 90 -14.633 -1.657 4.360 1.00 23.42 H new ATOM 0 HG3 GLN A 90 -14.646 -0.071 3.616 1.00 23.42 H new ATOM 0 HE21 GLN A 90 -16.543 -2.898 4.472 1.00 40.34 H new ATOM 0 HE22 GLN A 90 -18.125 -2.190 4.127 1.00 40.34 H new ATOM 1398 N TYR A 91 -12.942 -3.787 0.582 1.00 44.31 N ATOM 1399 CA TYR A 91 -12.233 -4.147 -0.649 1.00 65.15 C ATOM 1400 C TYR A 91 -12.106 -5.664 -0.816 1.00 64.04 C ATOM 1401 O TYR A 91 -11.565 -6.139 -1.817 1.00 3.30 O ATOM 1402 CB TYR A 91 -10.855 -3.469 -0.682 1.00 22.14 C ATOM 1403 CG TYR A 91 -10.936 -1.968 -0.912 1.00 65.43 C ATOM 1404 CD1 TYR A 91 -11.185 -1.091 0.137 1.00 15.04 C ATOM 1405 CD2 TYR A 91 -10.782 -1.432 -2.188 1.00 11.42 C ATOM 1406 CE1 TYR A 91 -11.276 0.274 -0.078 1.00 4.12 C ATOM 1407 CE2 TYR A 91 -10.867 -0.073 -2.407 1.00 63.52 C ATOM 1408 CZ TYR A 91 -11.118 0.775 -1.353 1.00 23.23 C ATOM 1409 OH TYR A 91 -11.212 2.131 -1.581 1.00 32.51 O ATOM 0 H TYR A 91 -12.341 -3.694 1.401 1.00 44.31 H new ATOM 0 HA TYR A 91 -12.823 -3.786 -1.492 1.00 65.15 H new ATOM 0 HB2 TYR A 91 -10.340 -3.659 0.260 1.00 22.14 H new ATOM 0 HB3 TYR A 91 -10.253 -3.920 -1.471 1.00 22.14 H new ATOM 0 HD1 TYR A 91 -11.310 -1.481 1.137 1.00 15.04 H new ATOM 0 HD2 TYR A 91 -10.593 -2.092 -3.021 1.00 11.42 H new ATOM 0 HE1 TYR A 91 -11.470 0.942 0.748 1.00 4.12 H new ATOM 0 HE2 TYR A 91 -10.737 0.324 -3.403 1.00 63.52 H new ATOM 0 HH TYR A 91 -10.380 2.453 -1.986 1.00 32.51 H new ATOM 1419 N GLY A 92 -12.594 -6.420 0.167 1.00 40.14 N ATOM 1420 CA GLY A 92 -12.657 -7.867 0.033 1.00 54.53 C ATOM 1421 C GLY A 92 -11.298 -8.522 0.195 1.00 75.54 C ATOM 1422 O GLY A 92 -10.706 -9.001 -0.776 1.00 42.44 O ATOM 0 H GLY A 92 -12.946 -6.056 1.053 1.00 40.14 H new ATOM 0 HA2 GLY A 92 -13.342 -8.269 0.779 1.00 54.53 H new ATOM 0 HA3 GLY A 92 -13.066 -8.121 -0.945 1.00 54.53 H new ATOM 1426 N VAL A 93 -10.798 -8.526 1.422 1.00 53.33 N ATOM 1427 CA VAL A 93 -9.504 -9.120 1.731 1.00 1.00 C ATOM 1428 C VAL A 93 -9.690 -10.462 2.436 1.00 13.41 C ATOM 1429 O VAL A 93 -10.003 -10.511 3.629 1.00 51.53 O ATOM 1430 CB VAL A 93 -8.658 -8.169 2.613 1.00 63.04 C ATOM 1431 CG1 VAL A 93 -7.339 -8.819 3.016 1.00 61.34 C ATOM 1432 CG2 VAL A 93 -8.416 -6.848 1.884 1.00 42.23 C ATOM 0 H VAL A 93 -11.274 -8.120 2.228 1.00 53.33 H new ATOM 0 HA VAL A 93 -8.973 -9.284 0.793 1.00 1.00 H new ATOM 0 HB VAL A 93 -9.215 -7.963 3.527 1.00 63.04 H new ATOM 0 HG11 VAL A 93 -6.767 -8.128 3.635 1.00 61.34 H new ATOM 0 HG12 VAL A 93 -7.540 -9.730 3.580 1.00 61.34 H new ATOM 0 HG13 VAL A 93 -6.766 -9.065 2.122 1.00 61.34 H new ATOM 0 HG21 VAL A 93 -7.820 -6.188 2.515 1.00 42.23 H new ATOM 0 HG22 VAL A 93 -7.883 -7.039 0.953 1.00 42.23 H new ATOM 0 HG23 VAL A 93 -9.372 -6.373 1.664 1.00 42.23 H new ATOM 1442 N SER A 94 -9.537 -11.545 1.683 1.00 61.21 N ATOM 1443 CA SER A 94 -9.650 -12.889 2.233 1.00 4.23 C ATOM 1444 C SER A 94 -8.264 -13.415 2.612 1.00 31.11 C ATOM 1445 O SER A 94 -8.108 -14.143 3.598 1.00 50.13 O ATOM 1446 CB SER A 94 -10.318 -13.822 1.212 1.00 0.31 C ATOM 1447 OG SER A 94 -10.651 -15.071 1.796 1.00 51.22 O ATOM 0 H SER A 94 -9.333 -11.517 0.684 1.00 61.21 H new ATOM 0 HA SER A 94 -10.269 -12.857 3.130 1.00 4.23 H new ATOM 0 HB2 SER A 94 -11.219 -13.350 0.820 1.00 0.31 H new ATOM 0 HB3 SER A 94 -9.647 -13.980 0.367 1.00 0.31 H new ATOM 0 HG SER A 94 -11.076 -15.644 1.124 1.00 51.22 H new ATOM 1453 N ALA A 95 -7.262 -13.042 1.817 1.00 13.21 N ATOM 1454 CA ALA A 95 -5.880 -13.433 2.072 1.00 3.03 C ATOM 1455 C ALA A 95 -5.279 -12.595 3.196 1.00 70.45 C ATOM 1456 O ALA A 95 -5.603 -11.414 3.335 1.00 41.32 O ATOM 1457 CB ALA A 95 -5.049 -13.287 0.802 1.00 61.43 C ATOM 0 H ALA A 95 -7.385 -12.465 0.985 1.00 13.21 H new ATOM 0 HA ALA A 95 -5.870 -14.478 2.382 1.00 3.03 H new ATOM 0 HB1 ALA A 95 -4.019 -13.582 1.005 1.00 61.43 H new ATOM 0 HB2 ALA A 95 -5.462 -13.926 0.021 1.00 61.43 H new ATOM 0 HB3 ALA A 95 -5.071 -12.249 0.470 1.00 61.43 H new ATOM 1463 N ILE A 96 -4.400 -13.206 3.987 1.00 64.23 N ATOM 1464 CA ILE A 96 -3.758 -12.512 5.102 1.00 42.55 C ATOM 1465 C ILE A 96 -2.778 -11.441 4.592 1.00 51.12 C ATOM 1466 O ILE A 96 -2.897 -10.268 4.958 1.00 52.22 O ATOM 1467 CB ILE A 96 -3.032 -13.503 6.057 1.00 12.01 C ATOM 1468 CG1 ILE A 96 -4.026 -14.545 6.603 1.00 44.24 C ATOM 1469 CG2 ILE A 96 -2.349 -12.752 7.200 1.00 11.40 C ATOM 1470 CD1 ILE A 96 -3.395 -15.584 7.511 1.00 21.54 C ATOM 0 H ILE A 96 -4.116 -14.179 3.877 1.00 64.23 H new ATOM 0 HA ILE A 96 -4.546 -12.019 5.672 1.00 42.55 H new ATOM 0 HB ILE A 96 -2.261 -14.026 5.491 1.00 12.01 H new ATOM 0 HG12 ILE A 96 -4.813 -14.028 7.152 1.00 44.24 H new ATOM 0 HG13 ILE A 96 -4.502 -15.052 5.764 1.00 44.24 H new ATOM 0 HG21 ILE A 96 -1.848 -13.464 7.855 1.00 11.40 H new ATOM 0 HG22 ILE A 96 -1.616 -12.057 6.792 1.00 11.40 H new ATOM 0 HG23 ILE A 96 -3.096 -12.199 7.769 1.00 11.40 H new ATOM 0 HD11 ILE A 96 -4.160 -16.281 7.854 1.00 21.54 H new ATOM 0 HD12 ILE A 96 -2.627 -16.129 6.962 1.00 21.54 H new ATOM 0 HD13 ILE A 96 -2.943 -15.089 8.371 1.00 21.54 H new ATOM 1482 N PRO A 97 -1.803 -11.804 3.721 1.00 33.24 N ATOM 1483 CA PRO A 97 -0.875 -10.839 3.152 1.00 61.51 C ATOM 1484 C PRO A 97 -1.472 -10.171 1.917 1.00 1.04 C ATOM 1485 O PRO A 97 -1.391 -10.706 0.812 1.00 3.42 O ATOM 1486 CB PRO A 97 0.365 -11.686 2.788 1.00 32.54 C ATOM 1487 CG PRO A 97 -0.028 -13.124 3.008 1.00 4.44 C ATOM 1488 CD PRO A 97 -1.523 -13.148 3.200 1.00 51.44 C ATOM 0 HA PRO A 97 -0.637 -10.027 3.839 1.00 61.51 H new ATOM 0 HB2 PRO A 97 0.661 -11.518 1.753 1.00 32.54 H new ATOM 0 HB3 PRO A 97 1.217 -11.416 3.411 1.00 32.54 H new ATOM 0 HG2 PRO A 97 0.261 -13.738 2.155 1.00 4.44 H new ATOM 0 HG3 PRO A 97 0.480 -13.533 3.881 1.00 4.44 H new ATOM 0 HD2 PRO A 97 -2.048 -13.337 2.264 1.00 51.44 H new ATOM 0 HD3 PRO A 97 -1.829 -13.926 3.900 1.00 51.44 H new ATOM 1496 N THR A 98 -2.101 -9.021 2.117 1.00 53.23 N ATOM 1497 CA THR A 98 -2.747 -8.299 1.030 1.00 34.13 C ATOM 1498 C THR A 98 -2.279 -6.845 0.977 1.00 22.04 C ATOM 1499 O THR A 98 -2.215 -6.158 2.003 1.00 21.45 O ATOM 1500 CB THR A 98 -4.284 -8.343 1.177 1.00 0.53 C ATOM 1501 OG1 THR A 98 -4.733 -9.707 1.209 1.00 23.35 O ATOM 1502 CG2 THR A 98 -4.973 -7.612 0.028 1.00 3.21 C ATOM 0 H THR A 98 -2.178 -8.566 3.027 1.00 53.23 H new ATOM 0 HA THR A 98 -2.464 -8.791 0.100 1.00 34.13 H new ATOM 0 HB THR A 98 -4.545 -7.843 2.110 1.00 0.53 H new ATOM 0 HG1 THR A 98 -4.827 -9.999 2.140 1.00 23.35 H new ATOM 0 HG21 THR A 98 -6.054 -7.661 0.161 1.00 3.21 H new ATOM 0 HG22 THR A 98 -4.656 -6.569 0.018 1.00 3.21 H new ATOM 0 HG23 THR A 98 -4.702 -8.083 -0.917 1.00 3.21 H new ATOM 1510 N ILE A 99 -1.929 -6.396 -0.227 1.00 4.24 N ATOM 1511 CA ILE A 99 -1.533 -5.013 -0.470 1.00 55.14 C ATOM 1512 C ILE A 99 -2.541 -4.341 -1.406 1.00 41.22 C ATOM 1513 O ILE A 99 -2.793 -4.828 -2.512 1.00 73.03 O ATOM 1514 CB ILE A 99 -0.107 -4.915 -1.091 1.00 2.52 C ATOM 1515 CG1 ILE A 99 0.982 -5.300 -0.066 1.00 22.43 C ATOM 1516 CG2 ILE A 99 0.155 -3.508 -1.637 1.00 55.33 C ATOM 1517 CD1 ILE A 99 1.037 -6.776 0.276 1.00 13.44 C ATOM 0 H ILE A 99 -1.912 -6.983 -1.061 1.00 4.24 H new ATOM 0 HA ILE A 99 -1.516 -4.503 0.493 1.00 55.14 H new ATOM 0 HB ILE A 99 -0.062 -5.625 -1.917 1.00 2.52 H new ATOM 0 HG12 ILE A 99 1.953 -4.995 -0.456 1.00 22.43 H new ATOM 0 HG13 ILE A 99 0.815 -4.735 0.851 1.00 22.43 H new ATOM 0 HG21 ILE A 99 1.156 -3.465 -2.065 1.00 55.33 H new ATOM 0 HG22 ILE A 99 -0.580 -3.274 -2.408 1.00 55.33 H new ATOM 0 HG23 ILE A 99 0.075 -2.783 -0.827 1.00 55.33 H new ATOM 0 HD11 ILE A 99 1.831 -6.952 1.002 1.00 13.44 H new ATOM 0 HD12 ILE A 99 0.082 -7.087 0.700 1.00 13.44 H new ATOM 0 HD13 ILE A 99 1.238 -7.352 -0.628 1.00 13.44 H new ATOM 1529 N LEU A 100 -3.132 -3.242 -0.947 1.00 35.21 N ATOM 1530 CA LEU A 100 -4.049 -2.450 -1.766 1.00 41.34 C ATOM 1531 C LEU A 100 -3.309 -1.254 -2.354 1.00 21.21 C ATOM 1532 O LEU A 100 -2.695 -0.482 -1.620 1.00 41.23 O ATOM 1533 CB LEU A 100 -5.246 -1.956 -0.932 1.00 74.40 C ATOM 1534 CG LEU A 100 -6.196 -3.048 -0.411 1.00 42.12 C ATOM 1535 CD1 LEU A 100 -7.308 -2.428 0.436 1.00 41.40 C ATOM 1536 CD2 LEU A 100 -6.784 -3.846 -1.571 1.00 70.23 C ATOM 0 H LEU A 100 -2.992 -2.876 -0.005 1.00 35.21 H new ATOM 0 HA LEU A 100 -4.425 -3.083 -2.570 1.00 41.34 H new ATOM 0 HB2 LEU A 100 -4.863 -1.396 -0.078 1.00 74.40 H new ATOM 0 HB3 LEU A 100 -5.823 -1.258 -1.538 1.00 74.40 H new ATOM 0 HG LEU A 100 -5.625 -3.731 0.218 1.00 42.12 H new ATOM 0 HD11 LEU A 100 -7.972 -3.214 0.797 1.00 41.40 H new ATOM 0 HD12 LEU A 100 -6.869 -1.905 1.286 1.00 41.40 H new ATOM 0 HD13 LEU A 100 -7.877 -1.723 -0.170 1.00 41.40 H new ATOM 0 HD21 LEU A 100 -7.453 -4.614 -1.182 1.00 70.23 H new ATOM 0 HD22 LEU A 100 -7.341 -3.177 -2.227 1.00 70.23 H new ATOM 0 HD23 LEU A 100 -5.978 -4.318 -2.133 1.00 70.23 H new ATOM 1548 N MET A 101 -3.354 -1.108 -3.672 1.00 13.33 N ATOM 1549 CA MET A 101 -2.692 0.012 -4.336 1.00 11.01 C ATOM 1550 C MET A 101 -3.709 1.118 -4.635 1.00 53.14 C ATOM 1551 O MET A 101 -4.883 0.836 -4.872 1.00 32.34 O ATOM 1552 CB MET A 101 -2.013 -0.467 -5.633 1.00 32.55 C ATOM 1553 CG MET A 101 -1.048 -1.633 -5.434 1.00 11.41 C ATOM 1554 SD MET A 101 0.010 -1.919 -6.867 1.00 2.03 S ATOM 1555 CE MET A 101 0.962 -0.402 -6.875 1.00 63.42 C ATOM 0 H MET A 101 -3.839 -1.747 -4.302 1.00 13.33 H new ATOM 0 HA MET A 101 -1.925 0.416 -3.675 1.00 11.01 H new ATOM 0 HB2 MET A 101 -2.782 -0.763 -6.346 1.00 32.55 H new ATOM 0 HB3 MET A 101 -1.471 0.368 -6.077 1.00 32.55 H new ATOM 0 HG2 MET A 101 -0.425 -1.438 -4.561 1.00 11.41 H new ATOM 0 HG3 MET A 101 -1.618 -2.538 -5.223 1.00 11.41 H new ATOM 0 HE1 MET A 101 1.992 -0.620 -7.156 1.00 63.42 H new ATOM 0 HE2 MET A 101 0.530 0.295 -7.593 1.00 63.42 H new ATOM 0 HE3 MET A 101 0.944 0.044 -5.881 1.00 63.42 H new ATOM 1565 N PHE A 102 -3.254 2.373 -4.601 1.00 34.00 N ATOM 1566 CA PHE A 102 -4.081 3.533 -4.956 1.00 65.43 C ATOM 1567 C PHE A 102 -3.201 4.588 -5.628 1.00 72.50 C ATOM 1568 O PHE A 102 -2.001 4.656 -5.355 1.00 31.33 O ATOM 1569 CB PHE A 102 -4.754 4.139 -3.712 1.00 72.23 C ATOM 1570 CG PHE A 102 -5.727 3.214 -3.024 1.00 25.55 C ATOM 1571 CD1 PHE A 102 -7.015 3.049 -3.516 1.00 74.14 C ATOM 1572 CD2 PHE A 102 -5.353 2.507 -1.888 1.00 5.23 C ATOM 1573 CE1 PHE A 102 -7.908 2.200 -2.888 1.00 40.20 C ATOM 1574 CE2 PHE A 102 -6.243 1.659 -1.260 1.00 65.20 C ATOM 1575 CZ PHE A 102 -7.521 1.504 -1.759 1.00 14.23 C ATOM 0 H PHE A 102 -2.302 2.615 -4.327 1.00 34.00 H new ATOM 0 HA PHE A 102 -4.865 3.205 -5.639 1.00 65.43 H new ATOM 0 HB2 PHE A 102 -3.982 4.430 -3.000 1.00 72.23 H new ATOM 0 HB3 PHE A 102 -5.279 5.049 -4.003 1.00 72.23 H new ATOM 0 HD1 PHE A 102 -7.323 3.590 -4.399 1.00 74.14 H new ATOM 0 HD2 PHE A 102 -4.355 2.622 -1.492 1.00 5.23 H new ATOM 0 HE1 PHE A 102 -8.907 2.081 -3.280 1.00 40.20 H new ATOM 0 HE2 PHE A 102 -5.939 1.116 -0.377 1.00 65.20 H new ATOM 0 HZ PHE A 102 -8.217 0.840 -1.268 1.00 14.23 H new ATOM 1585 N LYS A 103 -3.776 5.395 -6.522 1.00 13.13 N ATOM 1586 CA LYS A 103 -3.005 6.458 -7.187 1.00 31.01 C ATOM 1587 C LYS A 103 -3.829 7.736 -7.311 1.00 42.22 C ATOM 1588 O LYS A 103 -4.751 7.807 -8.119 1.00 1.04 O ATOM 1589 CB LYS A 103 -2.531 5.995 -8.577 1.00 74.21 C ATOM 1590 CG LYS A 103 -1.666 7.014 -9.320 1.00 5.10 C ATOM 1591 CD LYS A 103 -1.240 6.495 -10.694 1.00 44.40 C ATOM 1592 CE LYS A 103 -0.379 7.504 -11.453 1.00 64.32 C ATOM 1593 NZ LYS A 103 0.949 7.719 -10.814 1.00 4.33 N ATOM 0 H LYS A 103 -4.755 5.339 -6.802 1.00 13.13 H new ATOM 0 HA LYS A 103 -2.131 6.672 -6.572 1.00 31.01 H new ATOM 0 HB2 LYS A 103 -1.966 5.069 -8.465 1.00 74.21 H new ATOM 0 HB3 LYS A 103 -3.404 5.764 -9.187 1.00 74.21 H new ATOM 0 HG2 LYS A 103 -2.220 7.945 -9.438 1.00 5.10 H new ATOM 0 HG3 LYS A 103 -0.781 7.243 -8.726 1.00 5.10 H new ATOM 0 HD2 LYS A 103 -0.684 5.565 -10.573 1.00 44.40 H new ATOM 0 HD3 LYS A 103 -2.127 6.262 -11.283 1.00 44.40 H new ATOM 0 HE2 LYS A 103 -0.234 7.156 -12.476 1.00 64.32 H new ATOM 0 HE3 LYS A 103 -0.908 8.455 -11.512 1.00 64.32 H new ATOM 0 HZ1 LYS A 103 1.473 8.449 -11.339 1.00 4.33 H new ATOM 0 HZ2 LYS A 103 0.815 8.029 -9.830 1.00 4.33 H new ATOM 0 HZ3 LYS A 103 1.488 6.830 -10.826 1.00 4.33 H new ATOM 1607 N ASN A 104 -3.490 8.739 -6.498 1.00 23.43 N ATOM 1608 CA ASN A 104 -4.195 10.031 -6.504 1.00 14.21 C ATOM 1609 C ASN A 104 -5.682 9.831 -6.190 1.00 23.31 C ATOM 1610 O ASN A 104 -6.548 10.575 -6.655 1.00 25.34 O ATOM 1611 CB ASN A 104 -4.014 10.735 -7.860 1.00 3.42 C ATOM 1612 CG ASN A 104 -4.537 12.167 -7.862 1.00 11.23 C ATOM 1613 OD1 ASN A 104 -4.549 12.841 -6.832 1.00 51.21 O ATOM 1614 ND2 ASN A 104 -4.963 12.644 -9.021 1.00 14.12 N ATOM 0 H ASN A 104 -2.728 8.684 -5.822 1.00 23.43 H new ATOM 0 HA ASN A 104 -3.765 10.666 -5.729 1.00 14.21 H new ATOM 0 HB2 ASN A 104 -2.956 10.740 -8.122 1.00 3.42 H new ATOM 0 HB3 ASN A 104 -4.531 10.164 -8.631 1.00 3.42 H new ATOM 0 HD21 ASN A 104 -5.316 13.599 -9.081 1.00 14.12 H new ATOM 0 HD22 ASN A 104 -4.938 12.056 -9.854 1.00 14.12 H new ATOM 1621 N GLY A 105 -5.968 8.811 -5.390 1.00 53.33 N ATOM 1622 CA GLY A 105 -7.340 8.489 -5.041 1.00 70.04 C ATOM 1623 C GLY A 105 -7.976 7.532 -6.033 1.00 64.51 C ATOM 1624 O GLY A 105 -9.035 6.960 -5.761 1.00 25.25 O ATOM 0 H GLY A 105 -5.269 8.196 -4.974 1.00 53.33 H new ATOM 0 HA2 GLY A 105 -7.365 8.047 -4.045 1.00 70.04 H new ATOM 0 HA3 GLY A 105 -7.927 9.407 -4.997 1.00 70.04 H new ATOM 1628 N LYS A 106 -7.334 7.360 -7.188 1.00 30.42 N ATOM 1629 CA LYS A 106 -7.827 6.443 -8.211 1.00 14.23 C ATOM 1630 C LYS A 106 -7.657 5.007 -7.748 1.00 23.53 C ATOM 1631 O LYS A 106 -6.613 4.657 -7.170 1.00 44.10 O ATOM 1632 CB LYS A 106 -7.075 6.623 -9.540 1.00 12.21 C ATOM 1633 CG LYS A 106 -7.736 5.901 -10.712 1.00 11.13 C ATOM 1634 CD LYS A 106 -6.929 6.042 -11.998 1.00 63.41 C ATOM 1635 CE LYS A 106 -5.540 5.432 -11.865 1.00 5.23 C ATOM 1636 NZ LYS A 106 -5.595 3.970 -11.580 1.00 33.22 N ATOM 0 H LYS A 106 -6.472 7.844 -7.437 1.00 30.42 H new ATOM 0 HA LYS A 106 -8.882 6.668 -8.370 1.00 14.23 H new ATOM 0 HB2 LYS A 106 -7.007 7.686 -9.769 1.00 12.21 H new ATOM 0 HB3 LYS A 106 -6.055 6.256 -9.425 1.00 12.21 H new ATOM 0 HG2 LYS A 106 -7.850 4.844 -10.469 1.00 11.13 H new ATOM 0 HG3 LYS A 106 -8.738 6.302 -10.867 1.00 11.13 H new ATOM 0 HD2 LYS A 106 -7.462 5.557 -12.816 1.00 63.41 H new ATOM 0 HD3 LYS A 106 -6.839 7.097 -12.257 1.00 63.41 H new ATOM 0 HE2 LYS A 106 -4.981 5.601 -12.785 1.00 5.23 H new ATOM 0 HE3 LYS A 106 -4.998 5.937 -11.065 1.00 5.23 H new ATOM 0 HZ1 LYS A 106 -4.673 3.539 -11.795 1.00 33.22 H new ATOM 0 HZ2 LYS A 106 -5.821 3.820 -10.576 1.00 33.22 H new ATOM 0 HZ3 LYS A 106 -6.329 3.529 -12.170 1.00 33.22 H new ATOM 1650 N LYS A 107 -8.683 4.191 -8.006 1.00 70.04 N ATOM 1651 CA LYS A 107 -8.620 2.762 -7.741 1.00 22.24 C ATOM 1652 C LYS A 107 -7.435 2.158 -8.490 1.00 2.52 C ATOM 1653 O LYS A 107 -7.006 2.675 -9.533 1.00 0.44 O ATOM 1654 CB LYS A 107 -9.934 2.074 -8.144 1.00 72.24 C ATOM 1655 CG LYS A 107 -11.170 2.619 -7.423 1.00 2.35 C ATOM 1656 CD LYS A 107 -11.044 2.531 -5.899 1.00 64.45 C ATOM 1657 CE LYS A 107 -12.268 3.121 -5.198 1.00 44.13 C ATOM 1658 NZ LYS A 107 -12.055 3.309 -3.738 1.00 51.34 N ATOM 0 H LYS A 107 -9.570 4.504 -8.401 1.00 70.04 H new ATOM 0 HA LYS A 107 -8.481 2.603 -6.672 1.00 22.24 H new ATOM 0 HB2 LYS A 107 -10.075 2.185 -9.219 1.00 72.24 H new ATOM 0 HB3 LYS A 107 -9.850 1.006 -7.942 1.00 72.24 H new ATOM 0 HG2 LYS A 107 -11.327 3.658 -7.712 1.00 2.35 H new ATOM 0 HG3 LYS A 107 -12.050 2.062 -7.745 1.00 2.35 H new ATOM 0 HD2 LYS A 107 -10.922 1.489 -5.603 1.00 64.45 H new ATOM 0 HD3 LYS A 107 -10.148 3.061 -5.576 1.00 64.45 H new ATOM 0 HE2 LYS A 107 -12.515 4.081 -5.652 1.00 44.13 H new ATOM 0 HE3 LYS A 107 -13.124 2.465 -5.355 1.00 44.13 H new ATOM 0 HZ1 LYS A 107 -12.952 3.582 -3.289 1.00 51.34 H new ATOM 0 HZ2 LYS A 107 -11.714 2.420 -3.320 1.00 51.34 H new ATOM 0 HZ3 LYS A 107 -11.349 4.057 -3.584 1.00 51.34 H new ATOM 1672 N LEU A 108 -6.916 1.075 -7.951 1.00 75.30 N ATOM 1673 CA LEU A 108 -5.616 0.562 -8.341 1.00 13.43 C ATOM 1674 C LEU A 108 -5.471 -0.885 -7.884 1.00 32.12 C ATOM 1675 O LEU A 108 -6.299 -1.389 -7.119 1.00 21.24 O ATOM 1676 CB LEU A 108 -4.487 1.458 -7.818 1.00 50.41 C ATOM 1677 CG LEU A 108 -3.159 1.375 -8.592 1.00 13.32 C ATOM 1678 CD1 LEU A 108 -3.400 1.574 -10.084 1.00 43.41 C ATOM 1679 CD2 LEU A 108 -2.170 2.407 -8.067 1.00 75.42 C ATOM 0 H LEU A 108 -7.382 0.524 -7.230 1.00 75.30 H new ATOM 0 HA LEU A 108 -5.539 0.576 -9.428 1.00 13.43 H new ATOM 0 HB2 LEU A 108 -4.832 2.492 -7.833 1.00 50.41 H new ATOM 0 HB3 LEU A 108 -4.296 1.201 -6.776 1.00 50.41 H new ATOM 0 HG LEU A 108 -2.732 0.384 -8.441 1.00 13.32 H new ATOM 0 HD11 LEU A 108 -2.451 1.513 -10.617 1.00 43.41 H new ATOM 0 HD12 LEU A 108 -4.073 0.799 -10.450 1.00 43.41 H new ATOM 0 HD13 LEU A 108 -3.848 2.553 -10.253 1.00 43.41 H new ATOM 0 HD21 LEU A 108 -1.237 2.334 -8.626 1.00 75.42 H new ATOM 0 HD22 LEU A 108 -2.588 3.406 -8.188 1.00 75.42 H new ATOM 0 HD23 LEU A 108 -1.976 2.221 -7.011 1.00 75.42 H new ATOM 1691 N SER A 109 -4.435 -1.548 -8.369 1.00 41.44 N ATOM 1692 CA SER A 109 -4.316 -2.992 -8.315 1.00 30.31 C ATOM 1693 C SER A 109 -4.104 -3.508 -6.887 1.00 73.33 C ATOM 1694 O SER A 109 -3.794 -2.753 -5.963 1.00 44.31 O ATOM 1695 CB SER A 109 -3.093 -3.375 -9.161 1.00 53.43 C ATOM 1696 OG SER A 109 -3.349 -3.231 -10.547 1.00 30.11 O ATOM 0 H SER A 109 -3.642 -1.090 -8.818 1.00 41.44 H new ATOM 0 HA SER A 109 -5.239 -3.436 -8.687 1.00 30.31 H new ATOM 0 HB2 SER A 109 -2.246 -2.749 -8.880 1.00 53.43 H new ATOM 0 HB3 SER A 109 -2.812 -4.406 -8.948 1.00 53.43 H new ATOM 0 HG SER A 109 -2.500 -3.192 -11.034 1.00 30.11 H new ATOM 1702 N GLN A 110 -4.317 -4.810 -6.720 1.00 1.55 N ATOM 1703 CA GLN A 110 -4.270 -5.459 -5.417 1.00 74.12 C ATOM 1704 C GLN A 110 -3.329 -6.656 -5.476 1.00 24.44 C ATOM 1705 O GLN A 110 -3.491 -7.538 -6.323 1.00 4.43 O ATOM 1706 CB GLN A 110 -5.685 -5.912 -5.015 1.00 34.41 C ATOM 1707 CG GLN A 110 -5.773 -6.608 -3.659 1.00 63.41 C ATOM 1708 CD GLN A 110 -7.179 -7.104 -3.347 1.00 30.51 C ATOM 1709 OE1 GLN A 110 -7.945 -7.451 -4.246 1.00 52.33 O ATOM 1710 NE2 GLN A 110 -7.532 -7.142 -2.072 1.00 2.31 N ATOM 0 H GLN A 110 -4.528 -5.446 -7.489 1.00 1.55 H new ATOM 0 HA GLN A 110 -3.899 -4.755 -4.671 1.00 74.12 H new ATOM 0 HB2 GLN A 110 -6.341 -5.041 -5.004 1.00 34.41 H new ATOM 0 HB3 GLN A 110 -6.066 -6.588 -5.780 1.00 34.41 H new ATOM 0 HG2 GLN A 110 -5.082 -7.451 -3.641 1.00 63.41 H new ATOM 0 HG3 GLN A 110 -5.453 -5.917 -2.879 1.00 63.41 H new ATOM 0 HE21 GLN A 110 -6.873 -6.847 -1.351 1.00 2.31 H new ATOM 0 HE22 GLN A 110 -8.463 -7.466 -1.810 1.00 2.31 H new ATOM 1719 N VAL A 111 -2.336 -6.673 -4.597 1.00 22.50 N ATOM 1720 CA VAL A 111 -1.376 -7.767 -4.543 1.00 14.35 C ATOM 1721 C VAL A 111 -1.769 -8.761 -3.453 1.00 45.42 C ATOM 1722 O VAL A 111 -1.740 -8.439 -2.262 1.00 42.25 O ATOM 1723 CB VAL A 111 0.063 -7.253 -4.288 1.00 60.03 C ATOM 1724 CG1 VAL A 111 1.056 -8.418 -4.261 1.00 43.30 C ATOM 1725 CG2 VAL A 111 0.455 -6.223 -5.348 1.00 70.03 C ATOM 0 H VAL A 111 -2.174 -5.938 -3.909 1.00 22.50 H new ATOM 0 HA VAL A 111 -1.390 -8.265 -5.513 1.00 14.35 H new ATOM 0 HB VAL A 111 0.091 -6.767 -3.313 1.00 60.03 H new ATOM 0 HG11 VAL A 111 2.061 -8.036 -4.081 1.00 43.30 H new ATOM 0 HG12 VAL A 111 0.783 -9.110 -3.465 1.00 43.30 H new ATOM 0 HG13 VAL A 111 1.032 -8.939 -5.218 1.00 43.30 H new ATOM 0 HG21 VAL A 111 1.468 -5.871 -5.156 1.00 70.03 H new ATOM 0 HG22 VAL A 111 0.412 -6.683 -6.335 1.00 70.03 H new ATOM 0 HG23 VAL A 111 -0.235 -5.380 -5.309 1.00 70.03 H new ATOM 1735 N ILE A 112 -2.168 -9.955 -3.876 1.00 1.03 N ATOM 1736 CA ILE A 112 -2.545 -11.024 -2.958 1.00 32.40 C ATOM 1737 C ILE A 112 -1.366 -11.974 -2.758 1.00 73.10 C ATOM 1738 O ILE A 112 -0.982 -12.699 -3.678 1.00 41.25 O ATOM 1739 CB ILE A 112 -3.774 -11.835 -3.469 1.00 73.31 C ATOM 1740 CG1 ILE A 112 -5.024 -10.943 -3.598 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -4.063 -13.016 -2.543 1.00 63.21 C ATOM 1742 CD1 ILE A 112 -4.997 -10.003 -4.786 1.00 30.44 C ATOM 0 H ILE A 112 -2.239 -10.209 -4.861 1.00 1.03 H new ATOM 0 HA ILE A 112 -2.822 -10.556 -2.013 1.00 32.40 H new ATOM 0 HB ILE A 112 -3.527 -12.216 -4.460 1.00 73.31 H new ATOM 0 HG12 ILE A 112 -5.905 -11.580 -3.673 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -5.133 -10.355 -2.686 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -4.924 -13.569 -2.917 1.00 63.21 H new ATOM 0 HG22 ILE A 112 -3.195 -13.674 -2.511 1.00 63.21 H new ATOM 0 HG23 ILE A 112 -4.276 -12.648 -1.539 1.00 63.21 H new ATOM 0 HD11 ILE A 112 -5.913 -9.412 -4.803 1.00 30.44 H new ATOM 0 HD12 ILE A 112 -4.137 -9.338 -4.704 1.00 30.44 H new ATOM 0 HD13 ILE A 112 -4.922 -10.582 -5.706 1.00 30.44 H new ATOM 1754 N GLY A 113 -0.785 -11.950 -1.568 1.00 31.50 N ATOM 1755 CA GLY A 113 0.329 -12.831 -1.260 1.00 41.31 C ATOM 1756 C GLY A 113 1.662 -12.106 -1.292 1.00 32.33 C ATOM 1757 O GLY A 113 1.714 -10.887 -1.477 1.00 44.31 O ATOM 0 H GLY A 113 -1.065 -11.334 -0.805 1.00 31.50 H new ATOM 0 HA2 GLY A 113 0.180 -13.270 -0.273 1.00 41.31 H new ATOM 0 HA3 GLY A 113 0.348 -13.653 -1.975 1.00 41.31 H new ATOM 1761 N ALA A 114 2.747 -12.856 -1.130 1.00 5.31 N ATOM 1762 CA ALA A 114 4.083 -12.273 -1.075 1.00 1.42 C ATOM 1763 C ALA A 114 4.730 -12.269 -2.457 1.00 20.20 C ATOM 1764 O ALA A 114 5.631 -13.062 -2.743 1.00 23.00 O ATOM 1765 CB ALA A 114 4.950 -13.023 -0.066 1.00 31.20 C ATOM 0 H ALA A 114 2.727 -13.871 -1.034 1.00 5.31 H new ATOM 0 HA ALA A 114 3.995 -11.238 -0.746 1.00 1.42 H new ATOM 0 HB1 ALA A 114 5.944 -12.576 -0.037 1.00 31.20 H new ATOM 0 HB2 ALA A 114 4.495 -12.960 0.922 1.00 31.20 H new ATOM 0 HB3 ALA A 114 5.031 -14.069 -0.362 1.00 31.20 H new ATOM 1771 N ASP A 115 4.237 -11.392 -3.327 1.00 45.44 N ATOM 1772 CA ASP A 115 4.793 -11.231 -4.671 1.00 72.42 C ATOM 1773 C ASP A 115 5.491 -9.880 -4.786 1.00 42.13 C ATOM 1774 O ASP A 115 4.950 -8.923 -5.352 1.00 43.23 O ATOM 1775 CB ASP A 115 3.696 -11.367 -5.743 1.00 11.31 C ATOM 1776 CG ASP A 115 3.347 -12.815 -6.064 1.00 41.00 C ATOM 1777 OD1 ASP A 115 2.799 -13.514 -5.184 1.00 72.25 O ATOM 1778 OD2 ASP A 115 3.627 -13.263 -7.202 1.00 2.30 O ATOM 0 H ASP A 115 3.448 -10.777 -3.125 1.00 45.44 H new ATOM 0 HA ASP A 115 5.523 -12.022 -4.840 1.00 72.42 H new ATOM 0 HB2 ASP A 115 2.798 -10.851 -5.403 1.00 11.31 H new ATOM 0 HB3 ASP A 115 4.024 -10.868 -6.655 1.00 11.31 H new ATOM 1783 N ILE A 116 6.697 -9.807 -4.232 1.00 42.52 N ATOM 1784 CA ILE A 116 7.461 -8.563 -4.185 1.00 30.30 C ATOM 1785 C ILE A 116 7.728 -8.057 -5.607 1.00 4.12 C ATOM 1786 O ILE A 116 7.723 -6.851 -5.859 1.00 21.21 O ATOM 1787 CB ILE A 116 8.796 -8.762 -3.394 1.00 24.21 C ATOM 1788 CG1 ILE A 116 9.181 -7.496 -2.602 1.00 42.03 C ATOM 1789 CG2 ILE A 116 9.943 -9.189 -4.312 1.00 51.34 C ATOM 1790 CD1 ILE A 116 9.548 -6.296 -3.451 1.00 45.42 C ATOM 0 H ILE A 116 7.171 -10.603 -3.805 1.00 42.52 H new ATOM 0 HA ILE A 116 6.875 -7.810 -3.658 1.00 30.30 H new ATOM 0 HB ILE A 116 8.620 -9.568 -2.681 1.00 24.21 H new ATOM 0 HG12 ILE A 116 8.347 -7.223 -1.955 1.00 42.03 H new ATOM 0 HG13 ILE A 116 10.024 -7.734 -1.953 1.00 42.03 H new ATOM 0 HG21 ILE A 116 10.852 -9.316 -3.724 1.00 51.34 H new ATOM 0 HG22 ILE A 116 9.689 -10.132 -4.797 1.00 51.34 H new ATOM 0 HG23 ILE A 116 10.106 -8.423 -5.071 1.00 51.34 H new ATOM 0 HD11 ILE A 116 9.803 -5.457 -2.804 1.00 45.42 H new ATOM 0 HD12 ILE A 116 10.404 -6.543 -4.079 1.00 45.42 H new ATOM 0 HD13 ILE A 116 8.702 -6.024 -4.081 1.00 45.42 H new ATOM 1802 N SER A 117 7.926 -8.992 -6.536 1.00 45.10 N ATOM 1803 CA SER A 117 8.165 -8.658 -7.935 1.00 2.21 C ATOM 1804 C SER A 117 6.941 -7.957 -8.528 1.00 13.21 C ATOM 1805 O SER A 117 7.070 -6.963 -9.242 1.00 5.55 O ATOM 1806 CB SER A 117 8.506 -9.925 -8.734 1.00 32.25 C ATOM 1807 OG SER A 117 8.782 -9.629 -10.093 1.00 54.53 O ATOM 0 H SER A 117 7.925 -9.993 -6.340 1.00 45.10 H new ATOM 0 HA SER A 117 9.014 -7.977 -7.994 1.00 2.21 H new ATOM 0 HB2 SER A 117 9.370 -10.417 -8.286 1.00 32.25 H new ATOM 0 HB3 SER A 117 7.674 -10.627 -8.676 1.00 32.25 H new ATOM 0 HG SER A 117 8.996 -10.457 -10.571 1.00 54.53 H new ATOM 1813 N LYS A 118 5.755 -8.468 -8.208 1.00 61.10 N ATOM 1814 CA LYS A 118 4.512 -7.870 -8.682 1.00 53.24 C ATOM 1815 C LYS A 118 4.338 -6.479 -8.077 1.00 0.05 C ATOM 1816 O LYS A 118 3.938 -5.539 -8.764 1.00 53.21 O ATOM 1817 CB LYS A 118 3.315 -8.768 -8.330 1.00 34.21 C ATOM 1818 CG LYS A 118 1.963 -8.228 -8.798 1.00 72.35 C ATOM 1819 CD LYS A 118 1.929 -7.991 -10.309 1.00 44.03 C ATOM 1820 CE LYS A 118 0.561 -7.504 -10.777 1.00 41.50 C ATOM 1821 NZ LYS A 118 0.556 -7.155 -12.223 1.00 63.21 N ATOM 0 H LYS A 118 5.629 -9.294 -7.623 1.00 61.10 H new ATOM 0 HA LYS A 118 4.558 -7.775 -9.767 1.00 53.24 H new ATOM 0 HB2 LYS A 118 3.472 -9.752 -8.771 1.00 34.21 H new ATOM 0 HB3 LYS A 118 3.284 -8.905 -7.249 1.00 34.21 H new ATOM 0 HG2 LYS A 118 1.178 -8.932 -8.524 1.00 72.35 H new ATOM 0 HG3 LYS A 118 1.748 -7.293 -8.280 1.00 72.35 H new ATOM 0 HD2 LYS A 118 2.688 -7.256 -10.579 1.00 44.03 H new ATOM 0 HD3 LYS A 118 2.182 -8.916 -10.827 1.00 44.03 H new ATOM 0 HE2 LYS A 118 -0.183 -8.278 -10.589 1.00 41.50 H new ATOM 0 HE3 LYS A 118 0.268 -6.632 -10.193 1.00 41.50 H new ATOM 0 HZ1 LYS A 118 -0.382 -7.354 -12.625 1.00 63.21 H new ATOM 0 HZ2 LYS A 118 0.774 -6.144 -12.337 1.00 63.21 H new ATOM 0 HZ3 LYS A 118 1.273 -7.722 -12.719 1.00 63.21 H new ATOM 1835 N ILE A 119 4.663 -6.356 -6.789 1.00 21.04 N ATOM 1836 CA ILE A 119 4.560 -5.077 -6.085 1.00 33.05 C ATOM 1837 C ILE A 119 5.437 -4.014 -6.756 1.00 11.31 C ATOM 1838 O ILE A 119 4.943 -2.969 -7.193 1.00 52.51 O ATOM 1839 CB ILE A 119 4.972 -5.221 -4.592 1.00 73.53 C ATOM 1840 CG1 ILE A 119 4.071 -6.250 -3.888 1.00 55.45 C ATOM 1841 CG2 ILE A 119 4.912 -3.868 -3.876 1.00 11.11 C ATOM 1842 CD1 ILE A 119 4.469 -6.547 -2.455 1.00 60.51 C ATOM 0 H ILE A 119 5.000 -7.127 -6.212 1.00 21.04 H new ATOM 0 HA ILE A 119 3.517 -4.763 -6.132 1.00 33.05 H new ATOM 0 HB ILE A 119 6.002 -5.576 -4.552 1.00 73.53 H new ATOM 0 HG12 ILE A 119 3.044 -5.885 -3.900 1.00 55.45 H new ATOM 0 HG13 ILE A 119 4.086 -7.179 -4.458 1.00 55.45 H new ATOM 0 HG21 ILE A 119 5.204 -3.995 -2.834 1.00 11.11 H new ATOM 0 HG22 ILE A 119 5.593 -3.169 -4.361 1.00 11.11 H new ATOM 0 HG23 ILE A 119 3.896 -3.476 -3.923 1.00 11.11 H new ATOM 0 HD11 ILE A 119 3.784 -7.281 -2.032 1.00 60.51 H new ATOM 0 HD12 ILE A 119 5.484 -6.944 -2.434 1.00 60.51 H new ATOM 0 HD13 ILE A 119 4.426 -5.630 -1.868 1.00 60.51 H new ATOM 1854 N ILE A 120 6.734 -4.303 -6.877 1.00 74.23 N ATOM 1855 CA ILE A 120 7.676 -3.349 -7.458 1.00 54.05 C ATOM 1856 C ILE A 120 7.317 -3.065 -8.915 1.00 11.14 C ATOM 1857 O ILE A 120 7.423 -1.922 -9.374 1.00 0.11 O ATOM 1858 CB ILE A 120 9.149 -3.838 -7.358 1.00 11.11 C ATOM 1859 CG1 ILE A 120 10.110 -2.757 -7.890 1.00 71.50 C ATOM 1860 CG2 ILE A 120 9.348 -5.152 -8.109 1.00 72.52 C ATOM 1861 CD1 ILE A 120 11.578 -3.123 -7.780 1.00 0.20 C ATOM 0 H ILE A 120 7.153 -5.185 -6.582 1.00 74.23 H new ATOM 0 HA ILE A 120 7.597 -2.429 -6.879 1.00 54.05 H new ATOM 0 HB ILE A 120 9.374 -4.019 -6.307 1.00 11.11 H new ATOM 0 HG12 ILE A 120 9.874 -2.559 -8.935 1.00 71.50 H new ATOM 0 HG13 ILE A 120 9.936 -1.831 -7.343 1.00 71.50 H new ATOM 0 HG21 ILE A 120 10.387 -5.468 -8.021 1.00 72.52 H new ATOM 0 HG22 ILE A 120 8.699 -5.917 -7.683 1.00 72.52 H new ATOM 0 HG23 ILE A 120 9.100 -5.011 -9.161 1.00 72.52 H new ATOM 0 HD11 ILE A 120 12.186 -2.310 -8.176 1.00 0.20 H new ATOM 0 HD12 ILE A 120 11.834 -3.291 -6.734 1.00 0.20 H new ATOM 0 HD13 ILE A 120 11.770 -4.031 -8.351 1.00 0.20 H new ATOM 1873 N SER A 121 6.860 -4.100 -9.624 1.00 22.34 N ATOM 1874 CA SER A 121 6.458 -3.960 -11.017 1.00 54.23 C ATOM 1875 C SER A 121 5.352 -2.916 -11.142 1.00 52.13 C ATOM 1876 O SER A 121 5.468 -1.973 -11.924 1.00 72.15 O ATOM 1877 CB SER A 121 5.985 -5.303 -11.586 1.00 3.55 C ATOM 1878 OG SER A 121 5.619 -5.184 -12.954 1.00 74.55 O ATOM 0 H SER A 121 6.761 -5.044 -9.251 1.00 22.34 H new ATOM 0 HA SER A 121 7.323 -3.631 -11.592 1.00 54.23 H new ATOM 0 HB2 SER A 121 6.778 -6.044 -11.483 1.00 3.55 H new ATOM 0 HB3 SER A 121 5.134 -5.665 -11.010 1.00 3.55 H new ATOM 0 HG SER A 121 5.323 -6.056 -13.290 1.00 74.55 H new ATOM 1884 N GLU A 122 4.298 -3.071 -10.345 1.00 44.33 N ATOM 1885 CA GLU A 122 3.187 -2.132 -10.366 1.00 23.54 C ATOM 1886 C GLU A 122 3.656 -0.734 -9.966 1.00 71.24 C ATOM 1887 O GLU A 122 3.231 0.258 -10.558 1.00 13.55 O ATOM 1888 CB GLU A 122 2.047 -2.605 -9.450 1.00 23.34 C ATOM 1889 CG GLU A 122 1.315 -3.849 -9.953 1.00 24.12 C ATOM 1890 CD GLU A 122 0.662 -3.639 -11.313 1.00 3.34 C ATOM 1891 OE1 GLU A 122 -0.503 -3.190 -11.359 1.00 10.34 O ATOM 1892 OE2 GLU A 122 1.305 -3.933 -12.345 1.00 13.51 O ATOM 0 H GLU A 122 4.193 -3.837 -9.679 1.00 44.33 H new ATOM 0 HA GLU A 122 2.803 -2.087 -11.385 1.00 23.54 H new ATOM 0 HB2 GLU A 122 2.453 -2.812 -8.460 1.00 23.34 H new ATOM 0 HB3 GLU A 122 1.327 -1.795 -9.336 1.00 23.34 H new ATOM 0 HG2 GLU A 122 2.019 -4.678 -10.017 1.00 24.12 H new ATOM 0 HG3 GLU A 122 0.552 -4.134 -9.229 1.00 24.12 H new ATOM 1899 N ILE A 123 4.549 -0.655 -8.980 1.00 54.14 N ATOM 1900 CA ILE A 123 5.059 0.638 -8.524 1.00 13.21 C ATOM 1901 C ILE A 123 5.709 1.415 -9.677 1.00 23.55 C ATOM 1902 O ILE A 123 5.276 2.526 -10.011 1.00 62.22 O ATOM 1903 CB ILE A 123 6.082 0.474 -7.368 1.00 21.04 C ATOM 1904 CG1 ILE A 123 5.389 -0.108 -6.122 1.00 60.32 C ATOM 1905 CG2 ILE A 123 6.755 1.810 -7.038 1.00 4.24 C ATOM 1906 CD1 ILE A 123 6.331 -0.357 -4.961 1.00 41.21 C ATOM 0 H ILE A 123 4.931 -1.461 -8.486 1.00 54.14 H new ATOM 0 HA ILE A 123 4.203 1.202 -8.153 1.00 13.21 H new ATOM 0 HB ILE A 123 6.857 -0.220 -7.692 1.00 21.04 H new ATOM 0 HG12 ILE A 123 4.604 0.577 -5.801 1.00 60.32 H new ATOM 0 HG13 ILE A 123 4.904 -1.046 -6.392 1.00 60.32 H new ATOM 0 HG21 ILE A 123 7.467 1.668 -6.225 1.00 4.24 H new ATOM 0 HG22 ILE A 123 7.279 2.181 -7.919 1.00 4.24 H new ATOM 0 HG23 ILE A 123 5.998 2.534 -6.735 1.00 4.24 H new ATOM 0 HD11 ILE A 123 5.772 -0.767 -4.120 1.00 41.21 H new ATOM 0 HD12 ILE A 123 7.102 -1.065 -5.264 1.00 41.21 H new ATOM 0 HD13 ILE A 123 6.798 0.582 -4.663 1.00 41.21 H new ATOM 1918 N ASN A 124 6.700 0.808 -10.329 1.00 53.12 N ATOM 1919 CA ASN A 124 7.414 1.491 -11.411 1.00 43.40 C ATOM 1920 C ASN A 124 6.516 1.624 -12.639 1.00 43.42 C ATOM 1921 O ASN A 124 6.702 2.522 -13.455 1.00 11.34 O ATOM 1922 CB ASN A 124 8.744 0.799 -11.777 1.00 31.54 C ATOM 1923 CG ASN A 124 8.583 -0.584 -12.391 1.00 0.32 C ATOM 1924 OD1 ASN A 124 8.770 -1.621 -11.590 1.00 5.03 O flip ATOM 1925 ND2 ASN A 124 8.332 -0.721 -13.586 1.00 42.42 N flip ATOM 0 H ASN A 124 7.024 -0.139 -10.133 1.00 53.12 H new ATOM 0 HA ASN A 124 7.671 2.486 -11.047 1.00 43.40 H new ATOM 0 HB2 ASN A 124 9.289 1.433 -12.476 1.00 31.54 H new ATOM 0 HB3 ASN A 124 9.356 0.716 -10.879 1.00 31.54 H new ATOM 0 HD21 ASN A 124 8.193 0.100 -14.175 1.00 42.42 H new ATOM 0 HD22 ASN A 124 8.262 -1.656 -13.989 1.00 42.42 H new ATOM 1932 N ASN A 125 5.538 0.730 -12.756 1.00 40.22 N ATOM 1933 CA ASN A 125 4.548 0.800 -13.832 1.00 41.34 C ATOM 1934 C ASN A 125 3.666 2.041 -13.667 1.00 75.32 C ATOM 1935 O ASN A 125 3.316 2.709 -14.642 1.00 61.31 O ATOM 1936 CB ASN A 125 3.684 -0.474 -13.838 1.00 35.35 C ATOM 1937 CG ASN A 125 2.592 -0.465 -14.901 1.00 12.41 C ATOM 1938 OD1 ASN A 125 2.732 0.153 -15.958 1.00 43.24 O ATOM 1939 ND2 ASN A 125 1.502 -1.174 -14.635 1.00 71.32 N ATOM 0 H ASN A 125 5.408 -0.055 -12.118 1.00 40.22 H new ATOM 0 HA ASN A 125 5.072 0.874 -14.785 1.00 41.34 H new ATOM 0 HB2 ASN A 125 4.328 -1.339 -13.998 1.00 35.35 H new ATOM 0 HB3 ASN A 125 3.224 -0.596 -12.857 1.00 35.35 H new ATOM 0 HD21 ASN A 125 0.745 -1.220 -15.317 1.00 71.32 H new ATOM 0 HD22 ASN A 125 1.422 -1.673 -13.749 1.00 71.32 H new ATOM 1946 N ASN A 126 3.323 2.359 -12.421 1.00 3.03 N ATOM 1947 CA ASN A 126 2.438 3.491 -12.126 1.00 11.51 C ATOM 1948 C ASN A 126 3.224 4.776 -11.859 1.00 52.53 C ATOM 1949 O ASN A 126 2.637 5.857 -11.791 1.00 54.40 O ATOM 1950 CB ASN A 126 1.517 3.171 -10.938 1.00 31.13 C ATOM 1951 CG ASN A 126 0.390 2.215 -11.305 1.00 65.53 C ATOM 1952 OD1 ASN A 126 -0.677 2.636 -11.744 1.00 13.30 O ATOM 1953 ND2 ASN A 126 0.610 0.923 -11.114 1.00 14.14 N ATOM 0 H ASN A 126 3.643 1.850 -11.597 1.00 3.03 H new ATOM 0 HA ASN A 126 1.824 3.657 -13.011 1.00 11.51 H new ATOM 0 HB2 ASN A 126 2.109 2.736 -10.133 1.00 31.13 H new ATOM 0 HB3 ASN A 126 1.090 4.098 -10.555 1.00 31.13 H new ATOM 0 HD21 ASN A 126 -0.119 0.244 -11.333 1.00 14.14 H new ATOM 0 HD22 ASN A 126 1.508 0.607 -10.748 1.00 14.14 H new ATOM 1960 N ILE A 127 4.540 4.660 -11.666 1.00 21.30 N ATOM 1961 CA ILE A 127 5.400 5.844 -11.548 1.00 33.51 C ATOM 1962 C ILE A 127 6.052 6.199 -12.890 1.00 42.02 C ATOM 1963 O ILE A 127 5.846 7.290 -13.421 1.00 71.14 O ATOM 1964 CB ILE A 127 6.515 5.651 -10.487 1.00 65.45 C ATOM 1965 CG1 ILE A 127 5.908 5.465 -9.089 1.00 50.14 C ATOM 1966 CG2 ILE A 127 7.487 6.835 -10.500 1.00 13.43 C ATOM 1967 CD1 ILE A 127 6.945 5.285 -8.000 1.00 0.44 C ATOM 0 H ILE A 127 5.031 3.769 -11.589 1.00 21.30 H new ATOM 0 HA ILE A 127 4.749 6.659 -11.232 1.00 33.51 H new ATOM 0 HB ILE A 127 7.072 4.749 -10.740 1.00 65.45 H new ATOM 0 HG12 ILE A 127 5.290 6.331 -8.852 1.00 50.14 H new ATOM 0 HG13 ILE A 127 5.249 4.597 -9.100 1.00 50.14 H new ATOM 0 HG21 ILE A 127 8.261 6.679 -9.748 1.00 13.43 H new ATOM 0 HG22 ILE A 127 7.948 6.916 -11.484 1.00 13.43 H new ATOM 0 HG23 ILE A 127 6.944 7.754 -10.277 1.00 13.43 H new ATOM 0 HD11 ILE A 127 6.446 5.159 -7.039 1.00 0.44 H new ATOM 0 HD12 ILE A 127 7.548 4.402 -8.214 1.00 0.44 H new ATOM 0 HD13 ILE A 127 7.589 6.164 -7.962 1.00 0.44 H new ATOM 1979 N ASN A 128 6.840 5.267 -13.428 1.00 25.24 N ATOM 1980 CA ASN A 128 7.614 5.508 -14.650 1.00 20.41 C ATOM 1981 C ASN A 128 6.699 5.480 -15.873 1.00 44.23 C ATOM 1982 O ASN A 128 6.377 6.563 -16.408 1.00 60.25 O ATOM 1983 CB ASN A 128 8.743 4.465 -14.797 1.00 1.02 C ATOM 1984 CG ASN A 128 9.857 4.609 -13.758 1.00 62.51 C ATOM 1985 OD1 ASN A 128 9.542 5.174 -12.600 1.00 31.23 O flip ATOM 1986 ND2 ASN A 128 10.999 4.210 -13.997 1.00 4.14 N flip ATOM 1987 OXT ASN A 128 6.281 4.378 -16.283 1.00 0.00 O ATOM 0 H ASN A 128 6.960 4.333 -13.035 1.00 25.24 H new ATOM 0 HA ASN A 128 8.069 6.496 -14.578 1.00 20.41 H new ATOM 0 HB2 ASN A 128 8.314 3.466 -14.720 1.00 1.02 H new ATOM 0 HB3 ASN A 128 9.176 4.550 -15.794 1.00 1.02 H new ATOM 0 HD21 ASN A 128 11.211 3.779 -14.897 1.00 4.14 H new ATOM 0 HD22 ASN A 128 11.732 4.310 -13.295 1.00 4.14 H new TER 1994 ASN A 128