USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1137 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 48 TYR OH : rot 180:sc= 0.0271 USER MOD Set 1.2: A 145 ASN : amide:sc= 0.261 K(o=0.29,f=-0.8) USER MOD Set 2.1: A 129 LYS NZ :NH3+ -165:sc= 0.128 (180deg=0) USER MOD Set 2.2: A 135 THR OG1 : rot 180:sc= 0.125 USER MOD Set 3.1: A 53 ASN : amide:sc= 0.557 K(o=1.2,f=-1.7) USER MOD Set 3.2: A 99 THR OG1 : rot -40:sc= 0.627 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00288) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0182 (180deg=-0.0427) USER MOD Single : A 3 HIS : no HD1:sc=-0.00688 X(o=-0.0069,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.3) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.22) USER MOD Single : A 14 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 19 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.011) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.776 K(o=0.78,f=-4.3!) USER MOD Single : A 29 THR OG1 : rot -130:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.13! C(o=-1.1!,f=-11!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 49 MET CE :methyl 164:sc= 0 (180deg=-0.0115) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00433 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 60:sc= 1.2 USER MOD Single : A 57 GLN : amide:sc= 0.451 K(o=0.45,f=-1.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.0106 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 175:sc= 0 (180deg=-0.0102) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -40:sc= 1.27 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.295 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 177:sc= 0 (180deg=-0.0072) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 97:sc= 0.327 USER MOD Single : A 103 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.4!) USER MOD Single : A 108 HIS : no HE2:sc= 0.411 K(o=0.41,f=-6.5!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 158:sc= -0.104 (180deg=-0.623) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= 0.569 (180deg=0.341) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0.0818 K(o=0.082,f=-1.5) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= -0.0701 (180deg=-0.0701) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.270 2.854 48.367 1.00 95.99 N ATOM 2 CA MET A 1 14.013 2.316 47.207 1.00 95.64 C ATOM 3 C MET A 1 13.026 1.680 46.241 1.00 94.40 C ATOM 4 O MET A 1 12.105 1.014 46.699 1.00 94.90 O ATOM 5 CB MET A 1 15.048 1.267 47.633 1.00 96.99 C ATOM 6 CG MET A 1 16.224 1.876 48.403 1.00 98.08 C ATOM 7 SD MET A 1 17.448 0.664 48.976 1.00 99.72 S ATOM 8 CE MET A 1 16.572 -0.084 50.380 1.00101.37 C ATOM 0 H1 MET A 1 13.346 3.891 48.377 1.00 95.99 H new ATOM 0 H2 MET A 1 12.269 2.581 48.295 1.00 95.99 H new ATOM 0 H3 MET A 1 13.672 2.469 49.246 1.00 95.99 H new ATOM 0 HA MET A 1 14.545 3.140 46.731 1.00 95.64 H new ATOM 0 HB2 MET A 1 14.562 0.515 48.255 1.00 96.99 H new ATOM 0 HB3 MET A 1 15.425 0.754 46.748 1.00 96.99 H new ATOM 0 HG2 MET A 1 16.723 2.605 47.764 1.00 98.08 H new ATOM 0 HG3 MET A 1 15.837 2.419 49.265 1.00 98.08 H new ATOM 0 HE1 MET A 1 17.208 -0.837 50.846 1.00101.37 H new ATOM 0 HE2 MET A 1 16.329 0.688 51.110 1.00101.37 H new ATOM 0 HE3 MET A 1 15.653 -0.552 50.028 1.00101.37 H new ATOM 20 N GLY A 2 13.222 1.861 44.932 1.00 92.86 N ATOM 21 CA GLY A 2 12.463 1.156 43.885 1.00 91.67 C ATOM 22 C GLY A 2 13.227 -0.036 43.300 1.00 91.33 C ATOM 23 O GLY A 2 14.288 -0.433 43.792 1.00 92.21 O ATOM 0 H GLY A 2 13.919 2.507 44.561 1.00 92.86 H new ATOM 0 HA2 GLY A 2 11.517 0.807 44.300 1.00 91.67 H new ATOM 0 HA3 GLY A 2 12.221 1.855 43.085 1.00 91.67 H new ATOM 27 N HIS A 3 12.691 -0.579 42.207 1.00 90.04 N ATOM 28 CA HIS A 3 13.438 -1.407 41.258 1.00 89.25 C ATOM 29 C HIS A 3 14.116 -0.517 40.195 1.00 87.38 C ATOM 30 O HIS A 3 13.617 0.567 39.882 1.00 86.60 O ATOM 31 CB HIS A 3 12.485 -2.400 40.564 1.00 89.15 C ATOM 32 CG HIS A 3 11.675 -3.291 41.480 1.00 90.00 C ATOM 33 ND1 HIS A 3 12.150 -4.233 42.367 1.00 91.08 N ATOM 34 CD2 HIS A 3 10.308 -3.366 41.515 1.00 89.91 C ATOM 35 CE1 HIS A 3 11.093 -4.841 42.934 1.00 91.62 C ATOM 36 NE2 HIS A 3 9.941 -4.349 42.437 1.00 90.94 N ATOM 0 H HIS A 3 11.711 -0.455 41.952 1.00 90.04 H new ATOM 0 HA HIS A 3 14.203 -1.960 41.803 1.00 89.25 H new ATOM 0 HB2 HIS A 3 11.796 -1.834 39.937 1.00 89.15 H new ATOM 0 HB3 HIS A 3 13.073 -3.034 39.900 1.00 89.15 H new ATOM 0 HD2 HIS A 3 9.628 -2.766 40.928 1.00 89.91 H new ATOM 0 HE1 HIS A 3 11.158 -5.616 43.683 1.00 91.62 H new ATOM 0 HE2 HIS A 3 8.994 -4.636 42.684 1.00 90.94 H new ATOM 44 N THR A 4 15.225 -0.983 39.611 1.00 86.71 N ATOM 45 CA THR A 4 15.984 -0.260 38.578 1.00 84.96 C ATOM 46 C THR A 4 15.269 -0.275 37.225 1.00 83.30 C ATOM 47 O THR A 4 15.449 -1.188 36.423 1.00 83.60 O ATOM 48 CB THR A 4 17.400 -0.839 38.480 1.00 85.62 C ATOM 49 OG1 THR A 4 17.946 -0.902 39.780 1.00 85.91 O ATOM 50 CG2 THR A 4 18.320 0.034 37.629 1.00 84.92 C ATOM 0 H THR A 4 15.630 -1.889 39.845 1.00 86.71 H new ATOM 0 HA THR A 4 16.055 0.787 38.871 1.00 84.96 H new ATOM 0 HB THR A 4 17.329 -1.822 38.015 1.00 85.62 H new ATOM 0 HG1 THR A 4 18.852 -1.272 39.737 1.00 85.91 H new ATOM 0 HG21 THR A 4 19.312 -0.415 37.588 1.00 84.92 H new ATOM 0 HG22 THR A 4 17.915 0.113 36.620 1.00 84.92 H new ATOM 0 HG23 THR A 4 18.390 1.028 38.071 1.00 84.92 H new ATOM 58 N MET A 5 14.457 0.753 36.983 1.00 81.58 N ATOM 59 CA MET A 5 13.789 0.999 35.697 1.00 79.76 C ATOM 60 C MET A 5 14.755 1.523 34.614 1.00 78.21 C ATOM 61 O MET A 5 15.720 2.217 34.943 1.00 78.11 O ATOM 62 CB MET A 5 12.636 1.999 35.885 1.00 79.07 C ATOM 63 CG MET A 5 11.393 1.341 36.487 1.00 79.05 C ATOM 64 SD MET A 5 10.601 0.125 35.396 1.00 79.14 S ATOM 65 CE MET A 5 9.011 -0.047 36.238 1.00 79.23 C ATOM 0 H MET A 5 14.238 1.456 37.689 1.00 81.58 H new ATOM 0 HA MET A 5 13.403 0.040 35.353 1.00 79.76 H new ATOM 0 HB2 MET A 5 12.964 2.812 36.533 1.00 79.07 H new ATOM 0 HB3 MET A 5 12.381 2.442 34.922 1.00 79.07 H new ATOM 0 HG2 MET A 5 11.670 0.851 37.420 1.00 79.05 H new ATOM 0 HG3 MET A 5 10.669 2.116 36.737 1.00 79.05 H new ATOM 0 HE1 MET A 5 8.390 -0.763 35.700 1.00 79.23 H new ATOM 0 HE2 MET A 5 9.175 -0.401 37.256 1.00 79.23 H new ATOM 0 HE3 MET A 5 8.508 0.920 36.267 1.00 79.23 H new ATOM 75 N PRO A 6 14.489 1.247 33.318 1.00 77.01 N ATOM 76 CA PRO A 6 15.226 1.809 32.183 1.00 75.38 C ATOM 77 C PRO A 6 14.778 3.249 31.878 1.00 73.54 C ATOM 78 O PRO A 6 13.924 3.805 32.567 1.00 73.55 O ATOM 79 CB PRO A 6 14.927 0.850 31.023 1.00 75.06 C ATOM 80 CG PRO A 6 13.481 0.439 31.299 1.00 75.52 C ATOM 81 CD PRO A 6 13.432 0.365 32.826 1.00 77.20 C ATOM 0 HA PRO A 6 16.296 1.888 32.377 1.00 75.38 H new ATOM 0 HB2 PRO A 6 15.032 1.339 30.055 1.00 75.06 H new ATOM 0 HB3 PRO A 6 15.600 -0.008 31.022 1.00 75.06 H new ATOM 0 HG2 PRO A 6 12.772 1.168 30.907 1.00 75.52 H new ATOM 0 HG3 PRO A 6 13.239 -0.520 30.840 1.00 75.52 H new ATOM 0 HD2 PRO A 6 12.458 0.681 33.199 1.00 77.20 H new ATOM 0 HD3 PRO A 6 13.588 -0.657 33.170 1.00 77.20 H new ATOM 89 N ALA A 7 15.351 3.849 30.827 1.00 71.99 N ATOM 90 CA ALA A 7 15.038 5.201 30.365 1.00 70.11 C ATOM 91 C ALA A 7 14.290 5.224 29.019 1.00 68.26 C ATOM 92 O ALA A 7 14.333 4.290 28.213 1.00 68.31 O ATOM 93 CB ALA A 7 16.342 6.002 30.316 1.00 70.13 C ATOM 0 H ALA A 7 16.065 3.391 30.261 1.00 71.99 H new ATOM 0 HA ALA A 7 14.346 5.662 31.069 1.00 70.11 H new ATOM 0 HB1 ALA A 7 16.134 7.016 29.974 1.00 70.13 H new ATOM 0 HB2 ALA A 7 16.784 6.039 31.312 1.00 70.13 H new ATOM 0 HB3 ALA A 7 17.038 5.522 29.628 1.00 70.13 H new ATOM 99 N HIS A 8 13.595 6.335 28.776 1.00 66.64 N ATOM 100 CA HIS A 8 12.674 6.523 27.647 1.00 64.78 C ATOM 101 C HIS A 8 12.631 7.988 27.165 1.00 63.07 C ATOM 102 O HIS A 8 13.227 8.257 26.122 1.00 62.79 O ATOM 103 CB HIS A 8 11.294 5.914 27.993 1.00 64.98 C ATOM 104 CG HIS A 8 10.496 6.551 29.116 1.00 64.66 C ATOM 105 ND1 HIS A 8 9.166 6.903 29.049 1.00 64.08 N ATOM 106 CD2 HIS A 8 10.911 6.851 30.392 1.00 64.98 C ATOM 107 CE1 HIS A 8 8.804 7.412 30.242 1.00 64.04 C ATOM 108 NE2 HIS A 8 9.841 7.422 31.094 1.00 64.56 N ATOM 0 H HIS A 8 13.657 7.157 29.377 1.00 66.64 H new ATOM 0 HA HIS A 8 13.047 5.977 26.780 1.00 64.78 H new ATOM 0 HB2 HIS A 8 10.682 5.940 27.092 1.00 64.98 H new ATOM 0 HB3 HIS A 8 11.446 4.864 28.245 1.00 64.98 H new ATOM 0 HD2 HIS A 8 11.900 6.675 30.789 1.00 64.98 H new ATOM 0 HE1 HIS A 8 7.812 7.765 30.481 1.00 64.04 H new ATOM 0 HE2 HIS A 8 9.849 7.772 32.052 1.00 64.56 H new ATOM 116 N THR A 9 12.016 8.902 27.945 1.00 62.07 N ATOM 117 CA THR A 9 11.921 10.367 27.744 1.00 60.54 C ATOM 118 C THR A 9 10.840 10.706 26.688 1.00 58.66 C ATOM 119 O THR A 9 10.576 9.891 25.801 1.00 58.42 O ATOM 120 CB THR A 9 13.327 10.975 27.511 1.00 60.61 C ATOM 121 OG1 THR A 9 13.939 10.967 28.784 1.00 61.29 O ATOM 122 CG2 THR A 9 13.438 12.410 27.001 1.00 59.43 C ATOM 0 H THR A 9 11.535 8.615 28.798 1.00 62.07 H new ATOM 0 HA THR A 9 11.565 10.858 28.650 1.00 60.54 H new ATOM 0 HB THR A 9 13.771 10.375 26.717 1.00 60.61 H new ATOM 0 HG1 THR A 9 14.843 11.340 28.715 1.00 61.29 H new ATOM 0 HG21 THR A 9 14.489 12.678 26.893 1.00 59.43 H new ATOM 0 HG22 THR A 9 12.942 12.492 26.034 1.00 59.43 H new ATOM 0 HG23 THR A 9 12.963 13.086 27.711 1.00 59.43 H new ATOM 130 N PRO A 10 10.143 11.857 26.799 1.00 57.43 N ATOM 131 CA PRO A 10 9.137 12.281 25.822 1.00 55.63 C ATOM 132 C PRO A 10 9.749 12.608 24.446 1.00 54.12 C ATOM 133 O PRO A 10 10.962 12.799 24.347 1.00 54.27 O ATOM 134 CB PRO A 10 8.438 13.501 26.445 1.00 55.04 C ATOM 135 CG PRO A 10 9.455 14.037 27.448 1.00 56.03 C ATOM 136 CD PRO A 10 10.128 12.763 27.942 1.00 57.83 C ATOM 0 HA PRO A 10 8.430 11.476 25.621 1.00 55.63 H new ATOM 0 HB2 PRO A 10 8.190 14.247 25.690 1.00 55.04 H new ATOM 0 HB3 PRO A 10 7.505 13.220 26.934 1.00 55.04 H new ATOM 0 HG2 PRO A 10 10.167 14.718 26.981 1.00 56.03 H new ATOM 0 HG3 PRO A 10 8.976 14.585 28.260 1.00 56.03 H new ATOM 0 HD2 PRO A 10 11.139 12.966 28.295 1.00 57.83 H new ATOM 0 HD3 PRO A 10 9.580 12.329 28.778 1.00 57.83 H new ATOM 144 N PRO A 11 8.922 12.699 23.380 1.00 52.70 N ATOM 145 CA PRO A 11 9.362 13.098 22.044 1.00 51.13 C ATOM 146 C PRO A 11 9.777 14.579 21.999 1.00 49.79 C ATOM 147 O PRO A 11 9.664 15.304 22.988 1.00 49.91 O ATOM 148 CB PRO A 11 8.175 12.793 21.122 1.00 50.33 C ATOM 149 CG PRO A 11 6.971 12.984 22.039 1.00 50.74 C ATOM 150 CD PRO A 11 7.484 12.456 23.377 1.00 52.58 C ATOM 0 HA PRO A 11 10.253 12.555 21.730 1.00 51.13 H new ATOM 0 HB2 PRO A 11 8.143 13.469 20.268 1.00 50.33 H new ATOM 0 HB3 PRO A 11 8.223 11.779 20.724 1.00 50.33 H new ATOM 0 HG2 PRO A 11 6.673 14.030 22.104 1.00 50.74 H new ATOM 0 HG3 PRO A 11 6.102 12.426 21.689 1.00 50.74 H new ATOM 0 HD2 PRO A 11 7.000 12.967 24.209 1.00 52.58 H new ATOM 0 HD3 PRO A 11 7.268 11.393 23.486 1.00 52.58 H new ATOM 158 N ALA A 12 10.257 15.040 20.839 1.00 48.59 N ATOM 159 CA ALA A 12 10.833 16.373 20.664 1.00 47.43 C ATOM 160 C ALA A 12 10.535 16.964 19.271 1.00 45.62 C ATOM 161 O ALA A 12 10.108 16.246 18.366 1.00 45.47 O ATOM 162 CB ALA A 12 12.337 16.267 20.968 1.00 48.38 C ATOM 0 H ALA A 12 10.255 14.486 19.982 1.00 48.59 H new ATOM 0 HA ALA A 12 10.372 17.078 21.356 1.00 47.43 H new ATOM 0 HB1 ALA A 12 12.802 17.245 20.848 1.00 48.38 H new ATOM 0 HB2 ALA A 12 12.478 15.922 21.992 1.00 48.38 H new ATOM 0 HB3 ALA A 12 12.798 15.559 20.280 1.00 48.38 H new ATOM 168 N GLN A 13 10.742 18.281 19.122 1.00 44.33 N ATOM 169 CA GLN A 13 10.381 19.083 17.942 1.00 42.55 C ATOM 170 C GLN A 13 8.842 19.098 17.789 1.00 41.35 C ATOM 171 O GLN A 13 8.171 19.553 18.714 1.00 41.70 O ATOM 172 CB GLN A 13 11.158 18.659 16.667 1.00 42.12 C ATOM 173 CG GLN A 13 12.688 18.833 16.733 1.00 42.45 C ATOM 174 CD GLN A 13 13.411 17.761 17.551 1.00 43.72 C ATOM 175 OE1 GLN A 13 13.598 16.627 17.134 1.00 44.03 O ATOM 176 NE2 GLN A 13 13.846 18.072 18.752 1.00 44.60 N ATOM 0 H GLN A 13 11.184 18.841 19.851 1.00 44.33 H new ATOM 0 HA GLN A 13 10.699 20.115 18.093 1.00 42.55 H new ATOM 0 HB2 GLN A 13 10.938 17.612 16.460 1.00 42.12 H new ATOM 0 HB3 GLN A 13 10.780 19.237 15.824 1.00 42.12 H new ATOM 0 HG2 GLN A 13 13.086 18.829 15.718 1.00 42.45 H new ATOM 0 HG3 GLN A 13 12.912 19.811 17.159 1.00 42.45 H new ATOM 0 HE21 GLN A 13 13.701 19.012 19.119 1.00 44.60 H new ATOM 0 HE22 GLN A 13 14.329 17.373 19.316 1.00 44.60 H new ATOM 185 N THR A 14 8.298 18.609 16.657 1.00 40.02 N ATOM 186 CA THR A 14 6.883 18.343 16.273 1.00 38.81 C ATOM 187 C THR A 14 6.694 18.649 14.790 1.00 37.17 C ATOM 188 O THR A 14 6.572 17.704 14.018 1.00 37.20 O ATOM 189 CB THR A 14 5.794 18.966 17.169 1.00 38.95 C ATOM 190 OG1 THR A 14 5.861 18.374 18.449 1.00 39.67 O ATOM 191 CG2 THR A 14 4.383 18.717 16.633 1.00 38.59 C ATOM 0 H THR A 14 8.915 18.356 15.885 1.00 40.02 H new ATOM 0 HA THR A 14 6.721 17.280 16.453 1.00 38.81 H new ATOM 0 HB THR A 14 5.978 20.040 17.196 1.00 38.95 H new ATOM 0 HG1 THR A 14 6.574 18.800 18.969 1.00 39.67 H new ATOM 0 HG21 THR A 14 3.654 19.176 17.301 1.00 38.59 H new ATOM 0 HG22 THR A 14 4.289 19.153 15.638 1.00 38.59 H new ATOM 0 HG23 THR A 14 4.199 17.644 16.578 1.00 38.59 H new ATOM 199 N ALA A 15 6.680 19.939 14.421 1.00 35.85 N ATOM 200 CA ALA A 15 6.534 20.512 13.062 1.00 34.21 C ATOM 201 C ALA A 15 5.046 20.770 12.672 1.00 32.72 C ATOM 202 O ALA A 15 4.144 20.195 13.290 1.00 32.75 O ATOM 203 CB ALA A 15 7.287 19.661 12.017 1.00 34.16 C ATOM 0 H ALA A 15 6.778 20.675 15.120 1.00 35.85 H new ATOM 0 HA ALA A 15 7.002 21.496 13.075 1.00 34.21 H new ATOM 0 HB1 ALA A 15 7.163 20.104 11.029 1.00 34.16 H new ATOM 0 HB2 ALA A 15 8.347 19.629 12.270 1.00 34.16 H new ATOM 0 HB3 ALA A 15 6.884 18.648 12.014 1.00 34.16 H new ATOM 209 N PRO A 16 4.759 21.654 11.688 1.00 31.56 N ATOM 210 CA PRO A 16 3.391 21.939 11.242 1.00 30.15 C ATOM 211 C PRO A 16 2.838 20.850 10.310 1.00 28.95 C ATOM 212 O PRO A 16 3.594 20.064 9.742 1.00 29.13 O ATOM 213 CB PRO A 16 3.470 23.299 10.542 1.00 29.67 C ATOM 214 CG PRO A 16 4.878 23.301 9.952 1.00 30.23 C ATOM 215 CD PRO A 16 5.695 22.538 10.997 1.00 31.68 C ATOM 0 HA PRO A 16 2.699 21.956 12.084 1.00 30.15 H new ATOM 0 HB2 PRO A 16 2.708 23.400 9.769 1.00 29.67 H new ATOM 0 HB3 PRO A 16 3.325 24.122 11.242 1.00 29.67 H new ATOM 0 HG2 PRO A 16 4.908 22.809 8.980 1.00 30.23 H new ATOM 0 HG3 PRO A 16 5.253 24.314 9.809 1.00 30.23 H new ATOM 0 HD2 PRO A 16 6.493 21.965 10.524 1.00 31.68 H new ATOM 0 HD3 PRO A 16 6.169 23.226 11.697 1.00 31.68 H new ATOM 223 N ALA A 17 1.510 20.817 10.150 1.00 27.82 N ATOM 224 CA ALA A 17 0.793 19.819 9.345 1.00 26.67 C ATOM 225 C ALA A 17 1.150 19.873 7.848 1.00 25.23 C ATOM 226 O ALA A 17 1.372 20.949 7.282 1.00 24.72 O ATOM 227 CB ALA A 17 -0.712 19.998 9.582 1.00 26.35 C ATOM 0 H ALA A 17 0.889 21.499 10.586 1.00 27.82 H new ATOM 0 HA ALA A 17 1.105 18.826 9.667 1.00 26.67 H new ATOM 0 HB1 ALA A 17 -1.263 19.265 8.992 1.00 26.35 H new ATOM 0 HB2 ALA A 17 -0.934 19.853 10.639 1.00 26.35 H new ATOM 0 HB3 ALA A 17 -1.010 21.003 9.283 1.00 26.35 H new ATOM 233 N ALA A 18 1.167 18.701 7.193 1.00 24.72 N ATOM 234 CA ALA A 18 1.800 18.482 5.885 1.00 23.68 C ATOM 235 C ALA A 18 1.384 19.497 4.793 1.00 22.09 C ATOM 236 O ALA A 18 2.258 20.206 4.297 1.00 22.20 O ATOM 237 CB ALA A 18 1.557 17.024 5.471 1.00 24.00 C ATOM 0 H ALA A 18 0.730 17.860 7.569 1.00 24.72 H new ATOM 0 HA ALA A 18 2.870 18.663 5.991 1.00 23.68 H new ATOM 0 HB1 ALA A 18 2.019 16.839 4.501 1.00 24.00 H new ATOM 0 HB2 ALA A 18 1.994 16.357 6.214 1.00 24.00 H new ATOM 0 HB3 ALA A 18 0.485 16.839 5.403 1.00 24.00 H new ATOM 243 N GLN A 19 0.085 19.628 4.497 1.00 20.80 N ATOM 244 CA GLN A 19 -0.501 20.742 3.731 1.00 19.33 C ATOM 245 C GLN A 19 -2.035 20.683 3.681 1.00 18.14 C ATOM 246 O GLN A 19 -2.641 19.617 3.768 1.00 18.46 O ATOM 247 CB GLN A 19 0.117 20.926 2.326 1.00 19.17 C ATOM 248 CG GLN A 19 0.958 22.217 2.212 1.00 19.16 C ATOM 249 CD GLN A 19 0.128 23.499 2.217 1.00 18.76 C ATOM 250 OE1 GLN A 19 -0.275 23.995 1.173 1.00 18.19 O ATOM 251 NE2 GLN A 19 -0.158 24.108 3.355 1.00 19.28 N ATOM 0 H GLN A 19 -0.611 18.943 4.791 1.00 20.80 H new ATOM 0 HA GLN A 19 -0.234 21.638 4.291 1.00 19.33 H new ATOM 0 HB2 GLN A 19 0.745 20.066 2.094 1.00 19.17 H new ATOM 0 HB3 GLN A 19 -0.680 20.949 1.583 1.00 19.17 H new ATOM 0 HG2 GLN A 19 1.667 22.251 3.039 1.00 19.16 H new ATOM 0 HG3 GLN A 19 1.543 22.178 1.293 1.00 19.16 H new ATOM 0 HE21 GLN A 19 0.166 23.715 4.239 1.00 19.28 H new ATOM 0 HE22 GLN A 19 -0.703 24.970 3.349 1.00 19.28 H new ATOM 260 N LYS A 20 -2.675 21.853 3.565 1.00 17.01 N ATOM 261 CA LYS A 20 -4.111 22.039 3.849 1.00 16.10 C ATOM 262 C LYS A 20 -5.032 21.903 2.616 1.00 14.80 C ATOM 263 O LYS A 20 -5.954 22.700 2.419 1.00 14.69 O ATOM 264 CB LYS A 20 -4.298 23.338 4.658 1.00 16.29 C ATOM 265 CG LYS A 20 -3.487 23.245 5.960 1.00 17.19 C ATOM 266 CD LYS A 20 -3.920 24.246 7.030 1.00 18.04 C ATOM 267 CE LYS A 20 -3.163 23.864 8.307 1.00 19.05 C ATOM 268 NZ LYS A 20 -3.798 24.415 9.521 1.00 19.94 N ATOM 0 H LYS A 20 -2.208 22.710 3.268 1.00 17.01 H new ATOM 0 HA LYS A 20 -4.450 21.207 4.466 1.00 16.10 H new ATOM 0 HB2 LYS A 20 -3.969 24.196 4.072 1.00 16.29 H new ATOM 0 HB3 LYS A 20 -5.353 23.491 4.883 1.00 16.29 H new ATOM 0 HG2 LYS A 20 -3.578 22.236 6.362 1.00 17.19 H new ATOM 0 HG3 LYS A 20 -2.433 23.404 5.732 1.00 17.19 H new ATOM 0 HD2 LYS A 20 -3.682 25.266 6.727 1.00 18.04 H new ATOM 0 HD3 LYS A 20 -4.997 24.204 7.189 1.00 18.04 H new ATOM 0 HE2 LYS A 20 -3.114 22.778 8.386 1.00 19.05 H new ATOM 0 HE3 LYS A 20 -2.137 24.226 8.240 1.00 19.05 H new ATOM 0 HZ1 LYS A 20 -3.251 24.130 10.359 1.00 19.94 H new ATOM 0 HZ2 LYS A 20 -3.822 25.453 9.460 1.00 19.94 H new ATOM 0 HZ3 LYS A 20 -4.769 24.050 9.601 1.00 19.94 H new ATOM 282 N ALA A 21 -4.753 20.856 1.832 1.00 14.12 N ATOM 283 CA ALA A 21 -5.412 20.322 0.633 1.00 13.15 C ATOM 284 C ALA A 21 -4.434 19.362 -0.082 1.00 13.01 C ATOM 285 O ALA A 21 -3.341 19.109 0.419 1.00 13.72 O ATOM 286 CB ALA A 21 -5.959 21.442 -0.277 1.00 12.54 C ATOM 0 H ALA A 21 -3.942 20.281 2.058 1.00 14.12 H new ATOM 0 HA ALA A 21 -6.296 19.753 0.920 1.00 13.15 H new ATOM 0 HB1 ALA A 21 -6.438 21.000 -1.151 1.00 12.54 H new ATOM 0 HB2 ALA A 21 -6.688 22.035 0.275 1.00 12.54 H new ATOM 0 HB3 ALA A 21 -5.138 22.083 -0.599 1.00 12.54 H new ATOM 292 N GLY A 22 -4.833 18.821 -1.237 1.00 12.47 N ATOM 293 CA GLY A 22 -4.001 17.970 -2.098 1.00 12.69 C ATOM 294 C GLY A 22 -4.200 18.277 -3.584 1.00 11.87 C ATOM 295 O GLY A 22 -4.275 19.436 -3.993 1.00 11.72 O ATOM 0 H GLY A 22 -5.771 18.966 -1.611 1.00 12.47 H new ATOM 0 HA2 GLY A 22 -2.952 18.109 -1.838 1.00 12.69 H new ATOM 0 HA3 GLY A 22 -4.240 16.923 -1.910 1.00 12.69 H new ATOM 299 N ALA A 23 -4.301 17.232 -4.409 1.00 11.73 N ATOM 300 CA ALA A 23 -4.722 17.355 -5.806 1.00 11.21 C ATOM 301 C ALA A 23 -6.243 17.592 -5.907 1.00 9.90 C ATOM 302 O ALA A 23 -7.028 16.899 -5.254 1.00 9.63 O ATOM 303 CB ALA A 23 -4.287 16.091 -6.562 1.00 12.07 C ATOM 0 H ALA A 23 -4.093 16.275 -4.126 1.00 11.73 H new ATOM 0 HA ALA A 23 -4.244 18.222 -6.262 1.00 11.21 H new ATOM 0 HB1 ALA A 23 -4.594 16.167 -7.605 1.00 12.07 H new ATOM 0 HB2 ALA A 23 -3.203 15.990 -6.509 1.00 12.07 H new ATOM 0 HB3 ALA A 23 -4.755 15.217 -6.109 1.00 12.07 H new ATOM 309 N GLN A 24 -6.639 18.574 -6.720 1.00 9.62 N ATOM 310 CA GLN A 24 -8.019 18.856 -7.120 1.00 8.92 C ATOM 311 C GLN A 24 -8.427 18.030 -8.354 1.00 9.12 C ATOM 312 O GLN A 24 -7.565 17.548 -9.078 1.00 10.13 O ATOM 313 CB GLN A 24 -8.187 20.373 -7.380 1.00 9.14 C ATOM 314 CG GLN A 24 -7.624 20.926 -8.713 1.00 10.16 C ATOM 315 CD GLN A 24 -6.100 20.890 -8.866 1.00 11.18 C ATOM 316 OE1 GLN A 24 -5.344 20.713 -7.924 1.00 11.37 O ATOM 317 NE2 GLN A 24 -5.576 21.091 -10.050 1.00 12.22 N ATOM 0 H GLN A 24 -5.974 19.225 -7.137 1.00 9.62 H new ATOM 0 HA GLN A 24 -8.684 18.563 -6.307 1.00 8.92 H new ATOM 0 HB2 GLN A 24 -9.251 20.608 -7.338 1.00 9.14 H new ATOM 0 HB3 GLN A 24 -7.709 20.912 -6.561 1.00 9.14 H new ATOM 0 HG2 GLN A 24 -8.065 20.359 -9.533 1.00 10.16 H new ATOM 0 HG3 GLN A 24 -7.956 21.958 -8.824 1.00 10.16 H new ATOM 0 HE21 GLN A 24 -6.182 21.242 -10.857 1.00 12.22 H new ATOM 0 HE22 GLN A 24 -4.563 21.096 -10.165 1.00 12.22 H new ATOM 326 N ALA A 25 -9.737 17.932 -8.637 1.00 8.52 N ATOM 327 CA ALA A 25 -10.283 17.475 -9.930 1.00 9.07 C ATOM 328 C ALA A 25 -9.911 16.024 -10.328 1.00 9.01 C ATOM 329 O ALA A 25 -9.912 15.693 -11.513 1.00 9.70 O ATOM 330 CB ALA A 25 -9.933 18.506 -11.021 1.00 10.67 C ATOM 0 H ALA A 25 -10.462 18.173 -7.961 1.00 8.52 H new ATOM 0 HA ALA A 25 -11.366 17.420 -9.815 1.00 9.07 H new ATOM 0 HB1 ALA A 25 -10.334 18.173 -11.978 1.00 10.67 H new ATOM 0 HB2 ALA A 25 -10.367 19.472 -10.762 1.00 10.67 H new ATOM 0 HB3 ALA A 25 -8.850 18.603 -11.096 1.00 10.67 H new ATOM 336 N LEU A 26 -9.602 15.148 -9.365 1.00 8.46 N ATOM 337 CA LEU A 26 -9.358 13.718 -9.606 1.00 8.40 C ATOM 338 C LEU A 26 -10.599 12.884 -9.206 1.00 7.56 C ATOM 339 O LEU A 26 -10.757 12.605 -8.009 1.00 7.05 O ATOM 340 CB LEU A 26 -8.082 13.279 -8.839 1.00 8.59 C ATOM 341 CG LEU A 26 -6.767 13.261 -9.649 1.00 9.82 C ATOM 342 CD1 LEU A 26 -6.814 12.260 -10.816 1.00 10.16 C ATOM 343 CD2 LEU A 26 -6.359 14.649 -10.155 1.00 10.91 C ATOM 0 H LEU A 26 -9.513 15.414 -8.384 1.00 8.46 H new ATOM 0 HA LEU A 26 -9.189 13.543 -10.669 1.00 8.40 H new ATOM 0 HB2 LEU A 26 -7.949 13.945 -7.987 1.00 8.59 H new ATOM 0 HB3 LEU A 26 -8.251 12.279 -8.439 1.00 8.59 H new ATOM 0 HG LEU A 26 -6.002 12.930 -8.947 1.00 9.82 H new ATOM 0 HD11 LEU A 26 -5.867 12.285 -11.355 1.00 10.16 H new ATOM 0 HD12 LEU A 26 -6.985 11.256 -10.428 1.00 10.16 H new ATOM 0 HD13 LEU A 26 -7.624 12.529 -11.494 1.00 10.16 H new ATOM 0 HD21 LEU A 26 -5.428 14.572 -10.717 1.00 10.91 H new ATOM 0 HD22 LEU A 26 -7.142 15.045 -10.802 1.00 10.91 H new ATOM 0 HD23 LEU A 26 -6.217 15.318 -9.307 1.00 10.91 H new ATOM 355 N PRO A 27 -11.452 12.428 -10.157 1.00 7.68 N ATOM 356 CA PRO A 27 -12.643 11.625 -9.863 1.00 7.21 C ATOM 357 C PRO A 27 -12.269 10.168 -9.518 1.00 6.42 C ATOM 358 O PRO A 27 -12.562 9.221 -10.247 1.00 6.64 O ATOM 359 CB PRO A 27 -13.555 11.782 -11.086 1.00 8.09 C ATOM 360 CG PRO A 27 -12.577 11.998 -12.235 1.00 8.76 C ATOM 361 CD PRO A 27 -11.428 12.764 -11.579 1.00 8.60 C ATOM 0 HA PRO A 27 -13.172 11.963 -8.972 1.00 7.21 H new ATOM 0 HB2 PRO A 27 -14.170 10.896 -11.244 1.00 8.09 H new ATOM 0 HB3 PRO A 27 -14.235 12.627 -10.974 1.00 8.09 H new ATOM 0 HG2 PRO A 27 -12.240 11.052 -12.659 1.00 8.76 H new ATOM 0 HG3 PRO A 27 -13.029 12.568 -13.046 1.00 8.76 H new ATOM 0 HD2 PRO A 27 -10.473 12.486 -12.026 1.00 8.60 H new ATOM 0 HD3 PRO A 27 -11.547 13.838 -11.724 1.00 8.60 H new ATOM 369 N VAL A 28 -11.591 10.008 -8.380 1.00 5.68 N ATOM 370 CA VAL A 28 -11.095 8.744 -7.821 1.00 4.94 C ATOM 371 C VAL A 28 -10.941 8.901 -6.306 1.00 4.79 C ATOM 372 O VAL A 28 -10.528 9.963 -5.834 1.00 5.32 O ATOM 373 CB VAL A 28 -9.783 8.288 -8.500 1.00 5.02 C ATOM 374 CG1 VAL A 28 -8.682 9.363 -8.500 1.00 5.59 C ATOM 375 CG2 VAL A 28 -9.237 6.989 -7.886 1.00 5.12 C ATOM 0 H VAL A 28 -11.358 10.804 -7.786 1.00 5.68 H new ATOM 0 HA VAL A 28 -11.818 7.953 -8.022 1.00 4.94 H new ATOM 0 HB VAL A 28 -10.058 8.104 -9.539 1.00 5.02 H new ATOM 0 HG11 VAL A 28 -7.792 8.972 -8.993 1.00 5.59 H new ATOM 0 HG12 VAL A 28 -9.035 10.245 -9.035 1.00 5.59 H new ATOM 0 HG13 VAL A 28 -8.439 9.635 -7.473 1.00 5.59 H new ATOM 0 HG21 VAL A 28 -8.315 6.706 -8.394 1.00 5.12 H new ATOM 0 HG22 VAL A 28 -9.035 7.144 -6.826 1.00 5.12 H new ATOM 0 HG23 VAL A 28 -9.974 6.194 -8.002 1.00 5.12 H new ATOM 385 N THR A 29 -11.369 7.871 -5.564 1.00 4.26 N ATOM 386 CA THR A 29 -11.645 7.956 -4.125 1.00 4.20 C ATOM 387 C THR A 29 -10.651 7.103 -3.344 1.00 3.58 C ATOM 388 O THR A 29 -10.300 6.005 -3.771 1.00 3.39 O ATOM 389 CB THR A 29 -13.091 7.506 -3.863 1.00 4.57 C ATOM 390 OG1 THR A 29 -13.948 8.242 -4.708 1.00 5.44 O ATOM 391 CG2 THR A 29 -13.574 7.782 -2.439 1.00 4.94 C ATOM 0 H THR A 29 -11.535 6.943 -5.953 1.00 4.26 H new ATOM 0 HA THR A 29 -11.531 8.986 -3.788 1.00 4.20 H new ATOM 0 HB THR A 29 -13.110 6.430 -4.038 1.00 4.57 H new ATOM 0 HG1 THR A 29 -14.681 8.622 -4.180 1.00 5.44 H new ATOM 0 HG21 THR A 29 -14.602 7.437 -2.330 1.00 4.94 H new ATOM 0 HG22 THR A 29 -12.937 7.253 -1.730 1.00 4.94 H new ATOM 0 HG23 THR A 29 -13.527 8.853 -2.240 1.00 4.94 H new ATOM 399 N VAL A 30 -10.242 7.592 -2.179 1.00 3.70 N ATOM 400 CA VAL A 30 -9.360 6.880 -1.238 1.00 3.38 C ATOM 401 C VAL A 30 -10.224 5.964 -0.363 1.00 2.72 C ATOM 402 O VAL A 30 -11.352 6.295 -0.012 1.00 3.41 O ATOM 403 CB VAL A 30 -8.511 7.861 -0.389 1.00 4.65 C ATOM 404 CG1 VAL A 30 -7.639 7.140 0.655 1.00 5.60 C ATOM 405 CG2 VAL A 30 -7.585 8.689 -1.299 1.00 5.64 C ATOM 0 H VAL A 30 -10.517 8.516 -1.847 1.00 3.70 H new ATOM 0 HA VAL A 30 -8.644 6.276 -1.796 1.00 3.38 H new ATOM 0 HB VAL A 30 -9.218 8.503 0.136 1.00 4.65 H new ATOM 0 HG11 VAL A 30 -7.066 7.875 1.221 1.00 5.60 H new ATOM 0 HG12 VAL A 30 -8.277 6.576 1.335 1.00 5.60 H new ATOM 0 HG13 VAL A 30 -6.955 6.458 0.149 1.00 5.60 H new ATOM 0 HG21 VAL A 30 -6.994 9.374 -0.691 1.00 5.64 H new ATOM 0 HG22 VAL A 30 -6.918 8.021 -1.844 1.00 5.64 H new ATOM 0 HG23 VAL A 30 -8.186 9.259 -2.007 1.00 5.64 H new ATOM 415 N GLN A 31 -9.691 4.792 -0.041 1.00 2.27 N ATOM 416 CA GLN A 31 -10.349 3.706 0.700 1.00 2.87 C ATOM 417 C GLN A 31 -10.111 3.777 2.214 1.00 3.05 C ATOM 418 O GLN A 31 -10.974 3.369 2.989 1.00 4.64 O ATOM 419 CB GLN A 31 -9.869 2.331 0.178 1.00 3.40 C ATOM 420 CG GLN A 31 -8.727 2.287 -0.864 1.00 3.39 C ATOM 421 CD GLN A 31 -7.395 2.952 -0.475 1.00 3.18 C ATOM 422 OE1 GLN A 31 -7.218 3.485 0.604 1.00 4.25 O ATOM 423 NE2 GLN A 31 -6.400 3.002 -1.326 1.00 2.68 N ATOM 0 H GLN A 31 -8.734 4.553 -0.301 1.00 2.27 H new ATOM 0 HA GLN A 31 -11.419 3.828 0.530 1.00 2.87 H new ATOM 0 HB2 GLN A 31 -9.552 1.743 1.040 1.00 3.40 H new ATOM 0 HB3 GLN A 31 -10.731 1.823 -0.255 1.00 3.40 H new ATOM 0 HG2 GLN A 31 -8.526 1.242 -1.102 1.00 3.39 H new ATOM 0 HG3 GLN A 31 -9.086 2.759 -1.779 1.00 3.39 H new ATOM 0 HE21 GLN A 31 -6.494 2.571 -2.246 1.00 2.68 H new ATOM 0 HE22 GLN A 31 -5.532 3.472 -1.069 1.00 2.68 H new ATOM 432 N GLY A 32 -8.931 4.263 2.611 1.00 1.94 N ATOM 433 CA GLY A 32 -8.575 4.728 3.960 1.00 2.13 C ATOM 434 C GLY A 32 -7.091 4.581 4.307 1.00 1.95 C ATOM 435 O GLY A 32 -6.577 5.380 5.082 1.00 2.34 O ATOM 0 H GLY A 32 -8.149 4.349 1.961 1.00 1.94 H new ATOM 0 HA2 GLY A 32 -8.856 5.777 4.056 1.00 2.13 H new ATOM 0 HA3 GLY A 32 -9.163 4.172 4.690 1.00 2.13 H new ATOM 439 N ALA A 33 -6.434 3.579 3.699 1.00 1.73 N ATOM 440 CA ALA A 33 -5.027 3.172 3.851 1.00 1.58 C ATOM 441 C ALA A 33 -4.698 2.677 5.278 1.00 1.38 C ATOM 442 O ALA A 33 -4.961 3.369 6.265 1.00 1.90 O ATOM 443 CB ALA A 33 -4.103 4.301 3.369 1.00 1.82 C ATOM 0 H ALA A 33 -6.917 2.980 3.029 1.00 1.73 H new ATOM 0 HA ALA A 33 -4.850 2.304 3.215 1.00 1.58 H new ATOM 0 HB1 ALA A 33 -3.063 3.994 3.484 1.00 1.82 H new ATOM 0 HB2 ALA A 33 -4.305 4.513 2.319 1.00 1.82 H new ATOM 0 HB3 ALA A 33 -4.284 5.198 3.962 1.00 1.82 H new ATOM 449 N THR A 34 -4.139 1.463 5.429 1.00 0.96 N ATOM 450 CA THR A 34 -3.932 0.870 6.767 1.00 0.94 C ATOM 451 C THR A 34 -2.713 -0.042 6.863 1.00 0.80 C ATOM 452 O THR A 34 -2.408 -0.763 5.914 1.00 0.92 O ATOM 453 CB THR A 34 -5.209 0.158 7.239 1.00 1.26 C ATOM 454 OG1 THR A 34 -6.267 1.087 7.244 1.00 2.11 O ATOM 455 CG2 THR A 34 -5.148 -0.385 8.660 1.00 1.68 C ATOM 0 H THR A 34 -3.826 0.878 4.654 1.00 0.96 H new ATOM 0 HA THR A 34 -3.716 1.700 7.440 1.00 0.94 H new ATOM 0 HB THR A 34 -5.340 -0.678 6.552 1.00 1.26 H new ATOM 0 HG1 THR A 34 -7.089 0.645 7.542 1.00 2.11 H new ATOM 0 HG21 THR A 34 -6.093 -0.870 8.905 1.00 1.68 H new ATOM 0 HG22 THR A 34 -4.337 -1.109 8.738 1.00 1.68 H new ATOM 0 HG23 THR A 34 -4.970 0.435 9.356 1.00 1.68 H new ATOM 463 N VAL A 35 -2.041 -0.006 8.021 1.00 0.74 N ATOM 464 CA VAL A 35 -0.920 -0.905 8.397 1.00 0.70 C ATOM 465 C VAL A 35 -1.260 -1.915 9.505 1.00 0.78 C ATOM 466 O VAL A 35 -2.066 -1.639 10.387 1.00 0.91 O ATOM 467 CB VAL A 35 0.342 -0.138 8.848 1.00 0.86 C ATOM 468 CG1 VAL A 35 1.119 0.385 7.636 1.00 1.93 C ATOM 469 CG2 VAL A 35 0.061 1.029 9.795 1.00 1.80 C ATOM 0 H VAL A 35 -2.263 0.669 8.753 1.00 0.74 H new ATOM 0 HA VAL A 35 -0.727 -1.447 7.471 1.00 0.70 H new ATOM 0 HB VAL A 35 0.933 -0.866 9.404 1.00 0.86 H new ATOM 0 HG11 VAL A 35 2.004 0.922 7.976 1.00 1.93 H new ATOM 0 HG12 VAL A 35 1.422 -0.453 7.009 1.00 1.93 H new ATOM 0 HG13 VAL A 35 0.484 1.059 7.060 1.00 1.93 H new ATOM 0 HG21 VAL A 35 1.000 1.514 10.063 1.00 1.80 H new ATOM 0 HG22 VAL A 35 -0.591 1.749 9.301 1.00 1.80 H new ATOM 0 HG23 VAL A 35 -0.426 0.657 10.696 1.00 1.80 H new ATOM 479 N ALA A 36 -0.602 -3.079 9.482 1.00 0.79 N ATOM 480 CA ALA A 36 -0.772 -4.179 10.436 1.00 0.92 C ATOM 481 C ALA A 36 -0.003 -3.965 11.759 1.00 1.14 C ATOM 482 O ALA A 36 1.173 -4.302 11.867 1.00 1.75 O ATOM 483 CB ALA A 36 -0.366 -5.487 9.741 1.00 1.01 C ATOM 0 H ALA A 36 0.094 -3.289 8.766 1.00 0.79 H new ATOM 0 HA ALA A 36 -1.820 -4.223 10.731 1.00 0.92 H new ATOM 0 HB1 ALA A 36 -0.485 -6.320 10.434 1.00 1.01 H new ATOM 0 HB2 ALA A 36 -1.000 -5.648 8.869 1.00 1.01 H new ATOM 0 HB3 ALA A 36 0.676 -5.423 9.426 1.00 1.01 H new ATOM 489 N ALA A 37 -0.670 -3.406 12.776 1.00 0.93 N ATOM 490 CA ALA A 37 -0.144 -3.279 14.157 1.00 1.03 C ATOM 491 C ALA A 37 0.656 -4.512 14.643 1.00 1.08 C ATOM 492 O ALA A 37 0.193 -5.634 14.455 1.00 1.14 O ATOM 493 CB ALA A 37 -1.289 -3.058 15.162 1.00 1.21 C ATOM 0 H ALA A 37 -1.608 -3.020 12.669 1.00 0.93 H new ATOM 0 HA ALA A 37 0.530 -2.423 14.116 1.00 1.03 H new ATOM 0 HB1 ALA A 37 -0.878 -2.968 16.168 1.00 1.21 H new ATOM 0 HB2 ALA A 37 -1.826 -2.145 14.906 1.00 1.21 H new ATOM 0 HB3 ALA A 37 -1.974 -3.905 15.125 1.00 1.21 H new ATOM 499 N VAL A 38 1.796 -4.290 15.303 1.00 1.20 N ATOM 500 CA VAL A 38 2.770 -5.323 15.720 1.00 1.30 C ATOM 501 C VAL A 38 3.307 -5.009 17.122 1.00 1.46 C ATOM 502 O VAL A 38 3.312 -3.832 17.493 1.00 1.50 O ATOM 503 CB VAL A 38 3.972 -5.451 14.737 1.00 1.33 C ATOM 504 CG1 VAL A 38 3.601 -6.344 13.544 1.00 2.23 C ATOM 505 CG2 VAL A 38 4.514 -4.092 14.250 1.00 2.06 C ATOM 0 H VAL A 38 2.085 -3.351 15.576 1.00 1.20 H new ATOM 0 HA VAL A 38 2.234 -6.272 15.718 1.00 1.30 H new ATOM 0 HB VAL A 38 4.780 -5.917 15.301 1.00 1.33 H new ATOM 0 HG11 VAL A 38 4.453 -6.421 12.869 1.00 2.23 H new ATOM 0 HG12 VAL A 38 3.331 -7.337 13.903 1.00 2.23 H new ATOM 0 HG13 VAL A 38 2.755 -5.908 13.012 1.00 2.23 H new ATOM 0 HG21 VAL A 38 5.349 -4.256 13.569 1.00 2.06 H new ATOM 0 HG22 VAL A 38 3.724 -3.550 13.731 1.00 2.06 H new ATOM 0 HG23 VAL A 38 4.853 -3.508 15.106 1.00 2.06 H new ATOM 515 N PRO A 39 3.771 -6.015 17.893 1.00 1.66 N ATOM 516 CA PRO A 39 4.398 -5.805 19.194 1.00 1.89 C ATOM 517 C PRO A 39 5.777 -5.133 19.041 1.00 1.81 C ATOM 518 O PRO A 39 6.428 -5.315 18.010 1.00 1.72 O ATOM 519 CB PRO A 39 4.506 -7.201 19.822 1.00 2.19 C ATOM 520 CG PRO A 39 4.623 -8.124 18.610 1.00 2.18 C ATOM 521 CD PRO A 39 3.724 -7.441 17.583 1.00 1.83 C ATOM 0 HA PRO A 39 3.816 -5.134 19.826 1.00 1.89 H new ATOM 0 HB2 PRO A 39 5.375 -7.282 20.475 1.00 2.19 H new ATOM 0 HB3 PRO A 39 3.630 -7.439 20.426 1.00 2.19 H new ATOM 0 HG2 PRO A 39 5.652 -8.203 18.259 1.00 2.18 H new ATOM 0 HG3 PRO A 39 4.284 -9.135 18.836 1.00 2.18 H new ATOM 0 HD2 PRO A 39 4.075 -7.632 16.569 1.00 1.83 H new ATOM 0 HD3 PRO A 39 2.704 -7.820 17.644 1.00 1.83 H new ATOM 529 N PRO A 40 6.268 -4.407 20.068 1.00 1.95 N ATOM 530 CA PRO A 40 7.516 -3.632 20.007 1.00 1.95 C ATOM 531 C PRO A 40 8.771 -4.477 19.744 1.00 2.09 C ATOM 532 O PRO A 40 9.811 -3.939 19.372 1.00 3.20 O ATOM 533 CB PRO A 40 7.609 -2.901 21.353 1.00 2.22 C ATOM 534 CG PRO A 40 6.741 -3.731 22.295 1.00 2.45 C ATOM 535 CD PRO A 40 5.642 -4.247 21.373 1.00 2.25 C ATOM 0 HA PRO A 40 7.483 -2.949 19.158 1.00 1.95 H new ATOM 0 HB2 PRO A 40 8.639 -2.847 21.706 1.00 2.22 H new ATOM 0 HB3 PRO A 40 7.244 -1.877 21.275 1.00 2.22 H new ATOM 0 HG2 PRO A 40 7.303 -4.546 22.750 1.00 2.45 H new ATOM 0 HG3 PRO A 40 6.337 -3.129 23.109 1.00 2.45 H new ATOM 0 HD2 PRO A 40 5.240 -5.194 21.734 1.00 2.25 H new ATOM 0 HD3 PRO A 40 4.809 -3.545 21.325 1.00 2.25 H new ATOM 543 N SER A 41 8.678 -5.799 19.913 1.00 2.17 N ATOM 544 CA SER A 41 9.714 -6.762 19.525 1.00 2.32 C ATOM 545 C SER A 41 10.054 -6.683 18.023 1.00 2.03 C ATOM 546 O SER A 41 11.232 -6.664 17.644 1.00 2.17 O ATOM 547 CB SER A 41 9.197 -8.165 19.900 1.00 2.85 C ATOM 548 OG SER A 41 10.179 -9.182 19.769 1.00 3.41 O ATOM 0 H SER A 41 7.860 -6.241 20.334 1.00 2.17 H new ATOM 0 HA SER A 41 10.641 -6.534 20.051 1.00 2.32 H new ATOM 0 HB2 SER A 41 8.837 -8.148 20.929 1.00 2.85 H new ATOM 0 HB3 SER A 41 8.344 -8.411 19.268 1.00 2.85 H new ATOM 0 HG SER A 41 9.791 -10.046 20.022 1.00 3.41 H new ATOM 554 N ILE A 42 9.030 -6.599 17.160 1.00 1.91 N ATOM 555 CA ILE A 42 9.155 -6.722 15.702 1.00 1.81 C ATOM 556 C ILE A 42 8.993 -5.339 15.059 1.00 1.49 C ATOM 557 O ILE A 42 7.881 -4.849 14.886 1.00 2.04 O ATOM 558 CB ILE A 42 8.123 -7.742 15.159 1.00 2.18 C ATOM 559 CG1 ILE A 42 8.132 -9.102 15.896 1.00 2.78 C ATOM 560 CG2 ILE A 42 8.349 -7.963 13.652 1.00 2.29 C ATOM 561 CD1 ILE A 42 9.483 -9.829 15.955 1.00 3.30 C ATOM 0 H ILE A 42 8.070 -6.440 17.465 1.00 1.91 H new ATOM 0 HA ILE A 42 10.144 -7.100 15.444 1.00 1.81 H new ATOM 0 HB ILE A 42 7.141 -7.305 15.341 1.00 2.18 H new ATOM 0 HG12 ILE A 42 7.784 -8.942 16.916 1.00 2.78 H new ATOM 0 HG13 ILE A 42 7.409 -9.759 15.412 1.00 2.78 H new ATOM 0 HG21 ILE A 42 7.620 -8.681 13.276 1.00 2.29 H new ATOM 0 HG22 ILE A 42 8.232 -7.017 13.124 1.00 2.29 H new ATOM 0 HG23 ILE A 42 9.356 -8.348 13.488 1.00 2.29 H new ATOM 0 HD11 ILE A 42 9.367 -10.769 16.495 1.00 3.30 H new ATOM 0 HD12 ILE A 42 9.831 -10.033 14.942 1.00 3.30 H new ATOM 0 HD13 ILE A 42 10.211 -9.202 16.470 1.00 3.30 H new ATOM 573 N ARG A 43 10.116 -4.699 14.728 1.00 1.28 N ATOM 574 CA ARG A 43 10.191 -3.374 14.088 1.00 1.31 C ATOM 575 C ARG A 43 9.971 -3.485 12.570 1.00 1.25 C ATOM 576 O ARG A 43 10.714 -2.905 11.783 1.00 1.33 O ATOM 577 CB ARG A 43 11.504 -2.683 14.511 1.00 1.79 C ATOM 578 CG ARG A 43 12.810 -3.427 14.149 1.00 2.21 C ATOM 579 CD ARG A 43 13.859 -3.347 15.273 1.00 2.65 C ATOM 580 NE ARG A 43 13.476 -4.189 16.423 1.00 3.53 N ATOM 581 CZ ARG A 43 13.959 -4.172 17.658 1.00 4.32 C ATOM 582 NH1 ARG A 43 14.896 -3.340 18.064 1.00 4.37 N ATOM 583 NH2 ARG A 43 13.472 -5.022 18.529 1.00 5.52 N ATOM 0 H ARG A 43 11.037 -5.101 14.903 1.00 1.28 H new ATOM 0 HA ARG A 43 9.382 -2.729 14.431 1.00 1.31 H new ATOM 0 HB2 ARG A 43 11.534 -1.694 14.054 1.00 1.79 H new ATOM 0 HB3 ARG A 43 11.481 -2.534 15.591 1.00 1.79 H new ATOM 0 HG2 ARG A 43 12.584 -4.473 13.940 1.00 2.21 H new ATOM 0 HG3 ARG A 43 13.226 -3.002 13.236 1.00 2.21 H new ATOM 0 HD2 ARG A 43 14.829 -3.667 14.892 1.00 2.65 H new ATOM 0 HD3 ARG A 43 13.970 -2.312 15.598 1.00 2.65 H new ATOM 0 HE ARG A 43 12.743 -4.875 16.244 1.00 3.53 H new ATOM 0 HH11 ARG A 43 15.291 -2.660 17.414 1.00 4.37 H new ATOM 0 HH12 ARG A 43 15.227 -3.376 19.028 1.00 4.37 H new ATOM 0 HH21 ARG A 43 12.740 -5.675 18.250 1.00 5.52 H new ATOM 0 HH22 ARG A 43 13.825 -5.031 19.486 1.00 5.52 H new ATOM 597 N ASP A 44 8.954 -4.240 12.156 1.00 1.24 N ATOM 598 CA ASP A 44 8.681 -4.641 10.773 1.00 1.21 C ATOM 599 C ASP A 44 7.179 -4.953 10.633 1.00 0.96 C ATOM 600 O ASP A 44 6.624 -5.681 11.452 1.00 0.99 O ATOM 601 CB ASP A 44 9.528 -5.879 10.409 1.00 1.52 C ATOM 602 CG ASP A 44 11.043 -5.666 10.525 1.00 1.91 C ATOM 603 OD1 ASP A 44 11.640 -5.151 9.580 1.00 2.84 O ATOM 604 OD2 ASP A 44 11.602 -6.050 11.612 1.00 2.51 O ATOM 0 H ASP A 44 8.262 -4.608 12.808 1.00 1.24 H new ATOM 0 HA ASP A 44 8.946 -3.833 10.091 1.00 1.21 H new ATOM 0 HB2 ASP A 44 9.239 -6.706 11.058 1.00 1.52 H new ATOM 0 HB3 ASP A 44 9.292 -6.178 9.388 1.00 1.52 H new ATOM 609 N THR A 45 6.514 -4.413 9.608 1.00 0.83 N ATOM 610 CA THR A 45 5.043 -4.451 9.444 1.00 0.76 C ATOM 611 C THR A 45 4.695 -4.416 7.957 1.00 0.68 C ATOM 612 O THR A 45 5.587 -4.485 7.116 1.00 0.71 O ATOM 613 CB THR A 45 4.380 -3.362 10.320 1.00 0.88 C ATOM 614 OG1 THR A 45 2.975 -3.322 10.176 1.00 2.03 O ATOM 615 CG2 THR A 45 4.848 -1.947 10.001 1.00 1.70 C ATOM 0 H THR A 45 6.986 -3.924 8.847 1.00 0.83 H new ATOM 0 HA THR A 45 4.624 -5.387 9.813 1.00 0.76 H new ATOM 0 HB THR A 45 4.677 -3.652 11.328 1.00 0.88 H new ATOM 0 HG1 THR A 45 2.564 -3.953 10.803 1.00 2.03 H new ATOM 0 HG21 THR A 45 4.339 -1.239 10.656 1.00 1.70 H new ATOM 0 HG22 THR A 45 5.924 -1.876 10.157 1.00 1.70 H new ATOM 0 HG23 THR A 45 4.615 -1.712 8.962 1.00 1.70 H new ATOM 623 N ALA A 46 3.417 -4.311 7.602 1.00 0.89 N ATOM 624 CA ALA A 46 2.949 -4.287 6.219 1.00 0.96 C ATOM 625 C ALA A 46 1.658 -3.475 6.059 1.00 0.79 C ATOM 626 O ALA A 46 0.863 -3.385 6.998 1.00 0.78 O ATOM 627 CB ALA A 46 2.751 -5.729 5.732 1.00 1.21 C ATOM 0 H ALA A 46 2.661 -4.239 8.283 1.00 0.89 H new ATOM 0 HA ALA A 46 3.704 -3.792 5.609 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.401 -5.720 4.700 1.00 1.21 H new ATOM 0 HB2 ALA A 46 3.698 -6.266 5.790 1.00 1.21 H new ATOM 0 HB3 ALA A 46 2.013 -6.227 6.360 1.00 1.21 H new ATOM 633 N ALA A 47 1.442 -2.923 4.860 1.00 0.88 N ATOM 634 CA ALA A 47 0.193 -2.282 4.461 1.00 0.79 C ATOM 635 C ALA A 47 -0.517 -3.028 3.317 1.00 0.84 C ATOM 636 O ALA A 47 0.095 -3.697 2.473 1.00 1.03 O ATOM 637 CB ALA A 47 0.431 -0.805 4.119 1.00 0.95 C ATOM 0 H ALA A 47 2.150 -2.911 4.126 1.00 0.88 H new ATOM 0 HA ALA A 47 -0.484 -2.330 5.314 1.00 0.79 H new ATOM 0 HB1 ALA A 47 -0.511 -0.343 3.824 1.00 0.95 H new ATOM 0 HB2 ALA A 47 0.830 -0.289 4.992 1.00 0.95 H new ATOM 0 HB3 ALA A 47 1.144 -0.732 3.298 1.00 0.95 H new ATOM 643 N TYR A 48 -1.835 -2.863 3.305 1.00 0.89 N ATOM 644 CA TYR A 48 -2.832 -3.616 2.545 1.00 1.04 C ATOM 645 C TYR A 48 -4.076 -2.727 2.354 1.00 1.11 C ATOM 646 O TYR A 48 -4.424 -1.998 3.281 1.00 1.42 O ATOM 647 CB TYR A 48 -3.172 -4.910 3.312 1.00 1.64 C ATOM 648 CG TYR A 48 -3.633 -4.712 4.753 1.00 1.26 C ATOM 649 CD1 TYR A 48 -2.695 -4.517 5.791 1.00 2.34 C ATOM 650 CD2 TYR A 48 -5.009 -4.702 5.057 1.00 2.61 C ATOM 651 CE1 TYR A 48 -3.128 -4.264 7.105 1.00 3.37 C ATOM 652 CE2 TYR A 48 -5.448 -4.456 6.373 1.00 3.85 C ATOM 653 CZ TYR A 48 -4.508 -4.225 7.402 1.00 3.95 C ATOM 654 OH TYR A 48 -4.938 -3.991 8.674 1.00 5.45 O ATOM 0 H TYR A 48 -2.273 -2.138 3.874 1.00 0.89 H new ATOM 0 HA TYR A 48 -2.451 -3.894 1.562 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -3.953 -5.441 2.768 1.00 1.64 H new ATOM 0 HB3 TYR A 48 -2.292 -5.553 3.315 1.00 1.64 H new ATOM 0 HD1 TYR A 48 -1.638 -4.563 5.574 1.00 2.34 H new ATOM 0 HD2 TYR A 48 -5.732 -4.884 4.276 1.00 2.61 H new ATOM 0 HE1 TYR A 48 -2.403 -4.099 7.889 1.00 3.37 H new ATOM 0 HE2 TYR A 48 -6.505 -4.444 6.595 1.00 3.85 H new ATOM 0 HH TYR A 48 -5.918 -3.998 8.695 1.00 5.45 H new ATOM 664 N MET A 49 -4.709 -2.730 1.166 1.00 1.10 N ATOM 665 CA MET A 49 -5.837 -1.831 0.815 1.00 1.51 C ATOM 666 C MET A 49 -6.435 -2.099 -0.588 1.00 1.22 C ATOM 667 O MET A 49 -6.252 -3.181 -1.143 1.00 1.41 O ATOM 668 CB MET A 49 -5.481 -0.332 1.025 1.00 2.10 C ATOM 669 CG MET A 49 -6.637 0.418 1.711 1.00 3.77 C ATOM 670 SD MET A 49 -6.869 0.021 3.462 1.00 5.97 S ATOM 671 CE MET A 49 -8.539 0.659 3.750 1.00 7.52 C ATOM 0 H MET A 49 -4.452 -3.364 0.409 1.00 1.10 H new ATOM 0 HA MET A 49 -6.632 -2.075 1.520 1.00 1.51 H new ATOM 0 HB2 MET A 49 -4.579 -0.250 1.631 1.00 2.10 H new ATOM 0 HB3 MET A 49 -5.262 0.132 0.063 1.00 2.10 H new ATOM 0 HG2 MET A 49 -6.463 1.490 1.616 1.00 3.77 H new ATOM 0 HG3 MET A 49 -7.562 0.197 1.178 1.00 3.77 H new ATOM 0 HE1 MET A 49 -8.931 0.246 4.679 1.00 7.52 H new ATOM 0 HE2 MET A 49 -8.506 1.746 3.822 1.00 7.52 H new ATOM 0 HE3 MET A 49 -9.187 0.370 2.922 1.00 7.52 H new ATOM 681 N THR A 50 -7.170 -1.123 -1.160 1.00 1.11 N ATOM 682 CA THR A 50 -7.948 -1.255 -2.421 1.00 1.12 C ATOM 683 C THR A 50 -7.813 0.028 -3.265 1.00 1.48 C ATOM 684 O THR A 50 -6.960 0.859 -2.957 1.00 2.55 O ATOM 685 CB THR A 50 -9.421 -1.602 -2.099 1.00 1.57 C ATOM 686 OG1 THR A 50 -9.465 -2.429 -0.961 1.00 2.02 O ATOM 687 CG2 THR A 50 -10.152 -2.389 -3.188 1.00 2.05 C ATOM 0 H THR A 50 -7.244 -0.192 -0.750 1.00 1.11 H new ATOM 0 HA THR A 50 -7.547 -2.074 -3.018 1.00 1.12 H new ATOM 0 HB THR A 50 -9.909 -0.635 -1.976 1.00 1.57 H new ATOM 0 HG1 THR A 50 -10.397 -2.650 -0.753 1.00 2.02 H new ATOM 0 HG21 THR A 50 -11.176 -2.584 -2.870 1.00 2.05 H new ATOM 0 HG22 THR A 50 -10.162 -1.809 -4.111 1.00 2.05 H new ATOM 0 HG23 THR A 50 -9.639 -3.335 -3.360 1.00 2.05 H new ATOM 695 N LEU A 51 -8.649 0.249 -4.282 1.00 1.33 N ATOM 696 CA LEU A 51 -8.734 1.511 -5.027 1.00 1.60 C ATOM 697 C LEU A 51 -10.057 1.616 -5.792 1.00 1.78 C ATOM 698 O LEU A 51 -10.168 1.154 -6.928 1.00 2.43 O ATOM 699 CB LEU A 51 -7.503 1.653 -5.949 1.00 1.97 C ATOM 700 CG LEU A 51 -7.218 3.064 -6.494 1.00 2.88 C ATOM 701 CD1 LEU A 51 -8.248 3.570 -7.512 1.00 3.62 C ATOM 702 CD2 LEU A 51 -7.029 4.112 -5.385 1.00 3.65 C ATOM 0 H LEU A 51 -9.301 -0.459 -4.619 1.00 1.33 H new ATOM 0 HA LEU A 51 -8.724 2.345 -4.325 1.00 1.60 H new ATOM 0 HB2 LEU A 51 -6.624 1.314 -5.401 1.00 1.97 H new ATOM 0 HB3 LEU A 51 -7.630 0.978 -6.796 1.00 1.97 H new ATOM 0 HG LEU A 51 -6.273 2.942 -7.024 1.00 2.88 H new ATOM 0 HD11 LEU A 51 -7.971 4.571 -7.844 1.00 3.62 H new ATOM 0 HD12 LEU A 51 -8.273 2.897 -8.369 1.00 3.62 H new ATOM 0 HD13 LEU A 51 -9.233 3.602 -7.047 1.00 3.62 H new ATOM 0 HD21 LEU A 51 -6.831 5.085 -5.834 1.00 3.65 H new ATOM 0 HD22 LEU A 51 -7.934 4.169 -4.780 1.00 3.65 H new ATOM 0 HD23 LEU A 51 -6.188 3.826 -4.754 1.00 3.65 H new ATOM 714 N THR A 52 -11.051 2.264 -5.172 1.00 1.80 N ATOM 715 CA THR A 52 -12.390 2.472 -5.738 1.00 2.26 C ATOM 716 C THR A 52 -12.378 3.684 -6.660 1.00 2.52 C ATOM 717 O THR A 52 -12.583 4.828 -6.253 1.00 2.79 O ATOM 718 CB THR A 52 -13.434 2.595 -4.625 1.00 2.92 C ATOM 719 OG1 THR A 52 -13.420 1.389 -3.899 1.00 3.24 O ATOM 720 CG2 THR A 52 -14.855 2.788 -5.157 1.00 2.94 C ATOM 0 H THR A 52 -10.944 2.668 -4.241 1.00 1.80 H new ATOM 0 HA THR A 52 -12.671 1.605 -6.336 1.00 2.26 H new ATOM 0 HB THR A 52 -13.179 3.467 -4.023 1.00 2.92 H new ATOM 0 HG1 THR A 52 -14.079 1.435 -3.175 1.00 3.24 H new ATOM 0 HG21 THR A 52 -15.549 2.869 -4.320 1.00 2.94 H new ATOM 0 HG22 THR A 52 -14.899 3.699 -5.754 1.00 2.94 H new ATOM 0 HG23 THR A 52 -15.131 1.934 -5.776 1.00 2.94 H new ATOM 728 N ASN A 53 -12.170 3.415 -7.945 1.00 2.65 N ATOM 729 CA ASN A 53 -12.447 4.387 -9.004 1.00 2.95 C ATOM 730 C ASN A 53 -13.962 4.650 -9.091 1.00 3.45 C ATOM 731 O ASN A 53 -14.722 3.805 -9.560 1.00 3.57 O ATOM 732 CB ASN A 53 -11.836 3.897 -10.332 1.00 2.60 C ATOM 733 CG ASN A 53 -12.298 2.515 -10.790 1.00 1.64 C ATOM 734 OD1 ASN A 53 -11.910 1.486 -10.233 1.00 2.70 O ATOM 735 ND2 ASN A 53 -13.093 2.455 -11.847 1.00 2.05 N ATOM 0 H ASN A 53 -11.807 2.524 -8.283 1.00 2.65 H new ATOM 0 HA ASN A 53 -11.977 5.344 -8.775 1.00 2.95 H new ATOM 0 HB2 ASN A 53 -12.076 4.620 -11.112 1.00 2.60 H new ATOM 0 HB3 ASN A 53 -10.751 3.885 -10.231 1.00 2.60 H new ATOM 0 HD21 ASN A 53 -13.392 1.550 -12.210 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -13.407 3.314 -12.299 1.00 2.05 H new ATOM 742 N LYS A 54 -14.429 5.801 -8.596 1.00 3.92 N ATOM 743 CA LYS A 54 -15.865 6.103 -8.451 1.00 4.44 C ATOM 744 C LYS A 54 -16.483 6.627 -9.775 1.00 4.04 C ATOM 745 O LYS A 54 -17.276 7.565 -9.788 1.00 4.57 O ATOM 746 CB LYS A 54 -16.033 7.019 -7.214 1.00 5.48 C ATOM 747 CG LYS A 54 -17.404 6.891 -6.524 1.00 6.01 C ATOM 748 CD LYS A 54 -17.479 7.730 -5.232 1.00 7.20 C ATOM 749 CE LYS A 54 -18.757 7.413 -4.434 1.00 7.74 C ATOM 750 NZ LYS A 54 -18.859 8.203 -3.175 1.00 8.96 N ATOM 0 H LYS A 54 -13.821 6.557 -8.281 1.00 3.92 H new ATOM 0 HA LYS A 54 -16.447 5.201 -8.261 1.00 4.44 H new ATOM 0 HB2 LYS A 54 -15.251 6.785 -6.492 1.00 5.48 H new ATOM 0 HB3 LYS A 54 -15.886 8.055 -7.519 1.00 5.48 H new ATOM 0 HG2 LYS A 54 -18.187 7.212 -7.211 1.00 6.01 H new ATOM 0 HG3 LYS A 54 -17.595 5.844 -6.289 1.00 6.01 H new ATOM 0 HD2 LYS A 54 -16.603 7.530 -4.615 1.00 7.20 H new ATOM 0 HD3 LYS A 54 -17.458 8.791 -5.483 1.00 7.20 H new ATOM 0 HE2 LYS A 54 -19.629 7.615 -5.057 1.00 7.74 H new ATOM 0 HE3 LYS A 54 -18.776 6.350 -4.194 1.00 7.74 H new ATOM 0 HZ1 LYS A 54 -19.737 7.951 -2.677 1.00 8.96 H new ATOM 0 HZ2 LYS A 54 -18.043 7.992 -2.566 1.00 8.96 H new ATOM 0 HZ3 LYS A 54 -18.869 9.218 -3.402 1.00 8.96 H new ATOM 764 N SER A 55 -16.071 6.042 -10.904 1.00 3.22 N ATOM 765 CA SER A 55 -16.309 6.437 -12.305 1.00 2.93 C ATOM 766 C SER A 55 -15.424 5.603 -13.258 1.00 2.34 C ATOM 767 O SER A 55 -14.398 5.034 -12.868 1.00 2.90 O ATOM 768 CB SER A 55 -16.096 7.948 -12.552 1.00 3.42 C ATOM 769 OG SER A 55 -17.253 8.699 -12.209 1.00 3.74 O ATOM 0 H SER A 55 -15.505 5.194 -10.860 1.00 3.22 H new ATOM 0 HA SER A 55 -17.359 6.232 -12.514 1.00 2.93 H new ATOM 0 HB2 SER A 55 -15.247 8.298 -11.965 1.00 3.42 H new ATOM 0 HB3 SER A 55 -15.850 8.115 -13.601 1.00 3.42 H new ATOM 0 HG SER A 55 -17.462 8.564 -11.261 1.00 3.74 H new ATOM 775 N ASP A 56 -15.852 5.547 -14.517 1.00 1.70 N ATOM 776 CA ASP A 56 -15.438 4.656 -15.611 1.00 1.44 C ATOM 777 C ASP A 56 -14.112 5.077 -16.295 1.00 1.82 C ATOM 778 O ASP A 56 -13.964 4.939 -17.512 1.00 2.63 O ATOM 779 CB ASP A 56 -16.591 4.642 -16.649 1.00 1.82 C ATOM 780 CG ASP A 56 -18.003 4.419 -16.074 1.00 3.14 C ATOM 781 OD1 ASP A 56 -18.444 5.287 -15.277 1.00 4.15 O ATOM 782 OD2 ASP A 56 -18.641 3.433 -16.523 1.00 4.09 O ATOM 0 H ASP A 56 -16.575 6.192 -14.835 1.00 1.70 H new ATOM 0 HA ASP A 56 -15.245 3.667 -15.194 1.00 1.44 H new ATOM 0 HB2 ASP A 56 -16.583 5.590 -17.187 1.00 1.82 H new ATOM 0 HB3 ASP A 56 -16.388 3.859 -17.380 1.00 1.82 H new ATOM 787 N GLN A 57 -13.178 5.656 -15.540 1.00 1.87 N ATOM 788 CA GLN A 57 -12.042 6.395 -16.086 1.00 2.61 C ATOM 789 C GLN A 57 -10.717 5.816 -15.556 1.00 2.47 C ATOM 790 O GLN A 57 -10.639 5.535 -14.353 1.00 2.43 O ATOM 791 CB GLN A 57 -12.249 7.893 -15.837 1.00 3.48 C ATOM 792 CG GLN A 57 -12.252 8.327 -14.367 1.00 3.13 C ATOM 793 CD GLN A 57 -10.869 8.647 -13.794 1.00 4.30 C ATOM 794 OE1 GLN A 57 -9.878 8.789 -14.491 1.00 5.36 O ATOM 795 NE2 GLN A 57 -10.748 8.816 -12.499 1.00 4.79 N ATOM 0 H GLN A 57 -13.190 5.624 -14.521 1.00 1.87 H new ATOM 0 HA GLN A 57 -11.978 6.277 -17.168 1.00 2.61 H new ATOM 0 HB2 GLN A 57 -11.464 8.441 -16.357 1.00 3.48 H new ATOM 0 HB3 GLN A 57 -13.196 8.190 -16.287 1.00 3.48 H new ATOM 0 HG2 GLN A 57 -12.886 9.207 -14.263 1.00 3.13 H new ATOM 0 HG3 GLN A 57 -12.704 7.536 -13.769 1.00 3.13 H new ATOM 0 HE21 GLN A 57 -11.560 8.704 -11.892 1.00 4.79 H new ATOM 0 HE22 GLN A 57 -9.842 9.060 -12.099 1.00 4.79 H new ATOM 804 N PRO A 58 -9.698 5.620 -16.423 1.00 2.51 N ATOM 805 CA PRO A 58 -8.496 4.880 -16.070 1.00 2.54 C ATOM 806 C PRO A 58 -7.416 5.774 -15.446 1.00 2.61 C ATOM 807 O PRO A 58 -6.724 6.533 -16.125 1.00 3.27 O ATOM 808 CB PRO A 58 -8.020 4.228 -17.373 1.00 2.71 C ATOM 809 CG PRO A 58 -8.453 5.219 -18.447 1.00 2.83 C ATOM 810 CD PRO A 58 -9.742 5.809 -17.871 1.00 2.66 C ATOM 0 HA PRO A 58 -8.707 4.135 -15.303 1.00 2.54 H new ATOM 0 HB2 PRO A 58 -6.940 4.079 -17.376 1.00 2.71 H new ATOM 0 HB3 PRO A 58 -8.477 3.250 -17.522 1.00 2.71 H new ATOM 0 HG2 PRO A 58 -7.698 5.987 -18.616 1.00 2.83 H new ATOM 0 HG3 PRO A 58 -8.627 4.727 -19.404 1.00 2.83 H new ATOM 0 HD2 PRO A 58 -9.824 6.868 -18.118 1.00 2.66 H new ATOM 0 HD3 PRO A 58 -10.615 5.314 -18.297 1.00 2.66 H new ATOM 818 N ILE A 59 -7.253 5.641 -14.129 1.00 2.11 N ATOM 819 CA ILE A 59 -6.246 6.366 -13.345 1.00 2.13 C ATOM 820 C ILE A 59 -4.867 5.711 -13.489 1.00 2.26 C ATOM 821 O ILE A 59 -4.765 4.492 -13.346 1.00 2.56 O ATOM 822 CB ILE A 59 -6.643 6.431 -11.850 1.00 2.28 C ATOM 823 CG1 ILE A 59 -8.098 6.913 -11.660 1.00 2.66 C ATOM 824 CG2 ILE A 59 -5.698 7.365 -11.068 1.00 2.51 C ATOM 825 CD1 ILE A 59 -9.075 5.759 -11.412 1.00 4.02 C ATOM 0 H ILE A 59 -7.827 5.015 -13.564 1.00 2.11 H new ATOM 0 HA ILE A 59 -6.196 7.382 -13.735 1.00 2.13 H new ATOM 0 HB ILE A 59 -6.559 5.416 -11.461 1.00 2.28 H new ATOM 0 HG12 ILE A 59 -8.140 7.606 -10.820 1.00 2.66 H new ATOM 0 HG13 ILE A 59 -8.412 7.466 -12.545 1.00 2.66 H new ATOM 0 HG21 ILE A 59 -5.999 7.393 -10.021 1.00 2.51 H new ATOM 0 HG22 ILE A 59 -4.676 6.994 -11.142 1.00 2.51 H new ATOM 0 HG23 ILE A 59 -5.750 8.370 -11.487 1.00 2.51 H new ATOM 0 HD11 ILE A 59 -10.082 6.156 -11.286 1.00 4.02 H new ATOM 0 HD12 ILE A 59 -9.057 5.078 -12.263 1.00 4.02 H new ATOM 0 HD13 ILE A 59 -8.781 5.221 -10.511 1.00 4.02 H new ATOM 837 N LYS A 60 -3.823 6.530 -13.683 1.00 2.24 N ATOM 838 CA LYS A 60 -2.410 6.138 -13.594 1.00 2.35 C ATOM 839 C LYS A 60 -1.761 6.699 -12.313 1.00 1.81 C ATOM 840 O LYS A 60 -1.954 7.870 -11.994 1.00 1.61 O ATOM 841 CB LYS A 60 -1.665 6.573 -14.879 1.00 3.01 C ATOM 842 CG LYS A 60 -1.451 8.096 -15.020 1.00 3.71 C ATOM 843 CD LYS A 60 -0.840 8.484 -16.374 1.00 4.76 C ATOM 844 CE LYS A 60 -0.678 10.009 -16.464 1.00 5.67 C ATOM 845 NZ LYS A 60 -0.254 10.431 -17.820 1.00 6.52 N ATOM 0 H LYS A 60 -3.944 7.516 -13.914 1.00 2.24 H new ATOM 0 HA LYS A 60 -2.339 5.053 -13.523 1.00 2.35 H new ATOM 0 HB2 LYS A 60 -0.693 6.080 -14.903 1.00 3.01 H new ATOM 0 HB3 LYS A 60 -2.224 6.217 -15.744 1.00 3.01 H new ATOM 0 HG2 LYS A 60 -2.406 8.606 -14.897 1.00 3.71 H new ATOM 0 HG3 LYS A 60 -0.799 8.443 -14.219 1.00 3.71 H new ATOM 0 HD2 LYS A 60 0.129 8.000 -16.496 1.00 4.76 H new ATOM 0 HD3 LYS A 60 -1.478 8.130 -17.184 1.00 4.76 H new ATOM 0 HE2 LYS A 60 -1.622 10.492 -16.210 1.00 5.67 H new ATOM 0 HE3 LYS A 60 0.058 10.342 -15.732 1.00 5.67 H new ATOM 0 HZ1 LYS A 60 -0.154 11.466 -17.846 1.00 6.52 H new ATOM 0 HZ2 LYS A 60 0.658 9.989 -18.052 1.00 6.52 H new ATOM 0 HZ3 LYS A 60 -0.969 10.135 -18.515 1.00 6.52 H new ATOM 859 N LEU A 61 -0.949 5.898 -11.618 1.00 1.94 N ATOM 860 CA LEU A 61 -0.262 6.159 -10.332 1.00 1.61 C ATOM 861 C LEU A 61 0.627 4.922 -10.033 1.00 1.40 C ATOM 862 O LEU A 61 0.473 3.898 -10.701 1.00 1.94 O ATOM 863 CB LEU A 61 -1.314 6.414 -9.208 1.00 1.83 C ATOM 864 CG LEU A 61 -1.332 7.730 -8.397 1.00 2.08 C ATOM 865 CD1 LEU A 61 -1.475 9.012 -9.224 1.00 3.24 C ATOM 866 CD2 LEU A 61 -2.489 7.679 -7.388 1.00 2.64 C ATOM 0 H LEU A 61 -0.730 4.964 -11.965 1.00 1.94 H new ATOM 0 HA LEU A 61 0.361 7.052 -10.381 1.00 1.61 H new ATOM 0 HB2 LEU A 61 -2.298 6.312 -9.667 1.00 1.83 H new ATOM 0 HB3 LEU A 61 -1.212 5.601 -8.489 1.00 1.83 H new ATOM 0 HG LEU A 61 -0.354 7.786 -7.920 1.00 2.08 H new ATOM 0 HD11 LEU A 61 -1.477 9.876 -8.559 1.00 3.24 H new ATOM 0 HD12 LEU A 61 -0.640 9.091 -9.920 1.00 3.24 H new ATOM 0 HD13 LEU A 61 -2.411 8.982 -9.782 1.00 3.24 H new ATOM 0 HD21 LEU A 61 -2.510 8.604 -6.811 1.00 2.64 H new ATOM 0 HD22 LEU A 61 -3.432 7.563 -7.922 1.00 2.64 H new ATOM 0 HD23 LEU A 61 -2.347 6.834 -6.714 1.00 2.64 H new ATOM 878 N VAL A 62 1.525 4.973 -9.040 1.00 0.99 N ATOM 879 CA VAL A 62 2.390 3.813 -8.690 1.00 1.04 C ATOM 880 C VAL A 62 1.810 2.948 -7.561 1.00 1.31 C ATOM 881 O VAL A 62 2.140 1.774 -7.441 1.00 1.95 O ATOM 882 CB VAL A 62 3.850 4.204 -8.336 1.00 1.49 C ATOM 883 CG1 VAL A 62 4.425 5.199 -9.357 1.00 1.99 C ATOM 884 CG2 VAL A 62 4.013 4.758 -6.909 1.00 2.86 C ATOM 0 H VAL A 62 1.679 5.798 -8.460 1.00 0.99 H new ATOM 0 HA VAL A 62 2.413 3.224 -9.607 1.00 1.04 H new ATOM 0 HB VAL A 62 4.417 3.274 -8.379 1.00 1.49 H new ATOM 0 HG11 VAL A 62 5.448 5.453 -9.081 1.00 1.99 H new ATOM 0 HG12 VAL A 62 4.418 4.747 -10.349 1.00 1.99 H new ATOM 0 HG13 VAL A 62 3.817 6.103 -9.366 1.00 1.99 H new ATOM 0 HG21 VAL A 62 5.059 5.009 -6.734 1.00 2.86 H new ATOM 0 HG22 VAL A 62 3.401 5.652 -6.794 1.00 2.86 H new ATOM 0 HG23 VAL A 62 3.695 4.005 -6.188 1.00 2.86 H new ATOM 894 N GLY A 63 0.967 3.541 -6.709 1.00 1.40 N ATOM 895 CA GLY A 63 0.600 3.007 -5.394 1.00 1.66 C ATOM 896 C GLY A 63 1.187 3.848 -4.260 1.00 1.18 C ATOM 897 O GLY A 63 1.513 5.018 -4.460 1.00 1.04 O ATOM 0 H GLY A 63 0.510 4.428 -6.921 1.00 1.40 H new ATOM 0 HA2 GLY A 63 -0.486 2.979 -5.302 1.00 1.66 H new ATOM 0 HA3 GLY A 63 0.954 1.980 -5.306 1.00 1.66 H new ATOM 901 N ALA A 64 1.256 3.260 -3.063 1.00 1.31 N ATOM 902 CA ALA A 64 1.548 3.936 -1.795 1.00 1.23 C ATOM 903 C ALA A 64 2.818 3.402 -1.106 1.00 1.24 C ATOM 904 O ALA A 64 3.091 2.204 -1.143 1.00 1.46 O ATOM 905 CB ALA A 64 0.322 3.760 -0.891 1.00 1.64 C ATOM 0 H ALA A 64 1.104 2.258 -2.945 1.00 1.31 H new ATOM 0 HA ALA A 64 1.747 4.990 -1.992 1.00 1.23 H new ATOM 0 HB1 ALA A 64 0.502 4.251 0.065 1.00 1.64 H new ATOM 0 HB2 ALA A 64 -0.550 4.206 -1.370 1.00 1.64 H new ATOM 0 HB3 ALA A 64 0.142 2.698 -0.725 1.00 1.64 H new ATOM 911 N ALA A 65 3.563 4.301 -0.449 1.00 1.14 N ATOM 912 CA ALA A 65 4.771 4.039 0.348 1.00 1.20 C ATOM 913 C ALA A 65 4.795 4.886 1.651 1.00 1.18 C ATOM 914 O ALA A 65 3.789 5.504 2.011 1.00 1.23 O ATOM 915 CB ALA A 65 5.984 4.335 -0.554 1.00 1.24 C ATOM 0 H ALA A 65 3.324 5.293 -0.460 1.00 1.14 H new ATOM 0 HA ALA A 65 4.792 3.000 0.676 1.00 1.20 H new ATOM 0 HB1 ALA A 65 6.904 4.152 0.002 1.00 1.24 H new ATOM 0 HB2 ALA A 65 5.954 3.686 -1.429 1.00 1.24 H new ATOM 0 HB3 ALA A 65 5.954 5.377 -0.874 1.00 1.24 H new ATOM 921 N THR A 66 5.935 4.947 2.363 1.00 1.18 N ATOM 922 CA THR A 66 6.056 5.673 3.642 1.00 1.28 C ATOM 923 C THR A 66 7.511 6.022 3.998 1.00 1.40 C ATOM 924 O THR A 66 8.400 5.247 3.644 1.00 1.41 O ATOM 925 CB THR A 66 5.419 4.836 4.761 1.00 1.19 C ATOM 926 OG1 THR A 66 5.375 5.620 5.925 1.00 1.62 O ATOM 927 CG2 THR A 66 6.183 3.543 5.076 1.00 1.12 C ATOM 0 H THR A 66 6.800 4.494 2.068 1.00 1.18 H new ATOM 0 HA THR A 66 5.530 6.621 3.533 1.00 1.28 H new ATOM 0 HB THR A 66 4.427 4.543 4.417 1.00 1.19 H new ATOM 0 HG1 THR A 66 4.529 6.114 5.955 1.00 1.62 H new ATOM 0 HG21 THR A 66 5.674 3.005 5.876 1.00 1.12 H new ATOM 0 HG22 THR A 66 6.221 2.917 4.185 1.00 1.12 H new ATOM 0 HG23 THR A 66 7.197 3.787 5.392 1.00 1.12 H new ATOM 935 N PRO A 67 7.754 7.115 4.757 1.00 1.65 N ATOM 936 CA PRO A 67 9.010 7.368 5.467 1.00 1.77 C ATOM 937 C PRO A 67 9.070 6.738 6.879 1.00 1.68 C ATOM 938 O PRO A 67 10.096 6.861 7.556 1.00 1.75 O ATOM 939 CB PRO A 67 9.090 8.896 5.547 1.00 2.12 C ATOM 940 CG PRO A 67 7.628 9.304 5.724 1.00 2.17 C ATOM 941 CD PRO A 67 6.881 8.282 4.867 1.00 1.89 C ATOM 0 HA PRO A 67 9.849 6.911 4.942 1.00 1.77 H new ATOM 0 HB2 PRO A 67 9.706 9.225 6.384 1.00 2.12 H new ATOM 0 HB3 PRO A 67 9.523 9.326 4.644 1.00 2.12 H new ATOM 0 HG2 PRO A 67 7.319 9.258 6.768 1.00 2.17 H new ATOM 0 HG3 PRO A 67 7.449 10.324 5.384 1.00 2.17 H new ATOM 0 HD2 PRO A 67 5.930 8.013 5.326 1.00 1.89 H new ATOM 0 HD3 PRO A 67 6.656 8.692 3.883 1.00 1.89 H new ATOM 949 N LEU A 68 8.004 6.076 7.362 1.00 1.57 N ATOM 950 CA LEU A 68 7.991 5.455 8.699 1.00 1.53 C ATOM 951 C LEU A 68 8.855 4.188 8.753 1.00 1.32 C ATOM 952 O LEU A 68 9.323 3.818 9.830 1.00 1.40 O ATOM 953 CB LEU A 68 6.540 5.148 9.148 1.00 1.66 C ATOM 954 CG LEU A 68 5.762 6.293 9.835 1.00 2.01 C ATOM 955 CD1 LEU A 68 6.361 6.644 11.207 1.00 2.67 C ATOM 956 CD2 LEU A 68 5.651 7.566 8.985 1.00 2.38 C ATOM 0 H LEU A 68 7.134 5.957 6.842 1.00 1.57 H new ATOM 0 HA LEU A 68 8.426 6.174 9.393 1.00 1.53 H new ATOM 0 HB2 LEU A 68 5.974 4.832 8.272 1.00 1.66 H new ATOM 0 HB3 LEU A 68 6.569 4.300 9.832 1.00 1.66 H new ATOM 0 HG LEU A 68 4.752 5.903 9.966 1.00 2.01 H new ATOM 0 HD11 LEU A 68 5.787 7.453 11.658 1.00 2.67 H new ATOM 0 HD12 LEU A 68 6.325 5.768 11.855 1.00 2.67 H new ATOM 0 HD13 LEU A 68 7.397 6.960 11.082 1.00 2.67 H new ATOM 0 HD21 LEU A 68 5.092 8.323 9.535 1.00 2.38 H new ATOM 0 HD22 LEU A 68 6.649 7.943 8.762 1.00 2.38 H new ATOM 0 HD23 LEU A 68 5.133 7.338 8.054 1.00 2.38 H new ATOM 968 N ALA A 69 9.088 3.532 7.616 1.00 1.24 N ATOM 969 CA ALA A 69 9.899 2.324 7.495 1.00 1.22 C ATOM 970 C ALA A 69 11.091 2.590 6.573 1.00 1.42 C ATOM 971 O ALA A 69 10.896 3.041 5.445 1.00 1.82 O ATOM 972 CB ALA A 69 9.007 1.217 6.940 1.00 1.42 C ATOM 0 H ALA A 69 8.703 3.840 6.723 1.00 1.24 H new ATOM 0 HA ALA A 69 10.295 2.021 8.464 1.00 1.22 H new ATOM 0 HB1 ALA A 69 9.587 0.299 6.838 1.00 1.42 H new ATOM 0 HB2 ALA A 69 8.173 1.046 7.621 1.00 1.42 H new ATOM 0 HB3 ALA A 69 8.623 1.514 5.964 1.00 1.42 H new ATOM 978 N THR A 70 12.315 2.350 7.060 1.00 1.45 N ATOM 979 CA THR A 70 13.562 2.743 6.380 1.00 1.77 C ATOM 980 C THR A 70 13.790 1.982 5.075 1.00 1.58 C ATOM 981 O THR A 70 14.366 2.552 4.155 1.00 1.86 O ATOM 982 CB THR A 70 14.740 2.611 7.352 1.00 2.10 C ATOM 983 OG1 THR A 70 14.449 3.370 8.506 1.00 2.51 O ATOM 984 CG2 THR A 70 16.054 3.143 6.782 1.00 2.84 C ATOM 0 H THR A 70 12.472 1.872 7.947 1.00 1.45 H new ATOM 0 HA THR A 70 13.474 3.788 6.084 1.00 1.77 H new ATOM 0 HB THR A 70 14.865 1.548 7.559 1.00 2.10 H new ATOM 0 HG1 THR A 70 13.812 2.881 9.067 1.00 2.51 H new ATOM 0 HG21 THR A 70 16.847 3.020 7.520 1.00 2.84 H new ATOM 0 HG22 THR A 70 16.310 2.589 5.879 1.00 2.84 H new ATOM 0 HG23 THR A 70 15.944 4.200 6.540 1.00 2.84 H new ATOM 992 N SER A 71 13.290 0.752 4.950 1.00 1.21 N ATOM 993 CA SER A 71 13.179 0.062 3.656 1.00 1.08 C ATOM 994 C SER A 71 11.705 -0.280 3.353 1.00 0.96 C ATOM 995 O SER A 71 11.197 -1.289 3.855 1.00 0.90 O ATOM 996 CB SER A 71 14.031 -1.219 3.634 1.00 1.11 C ATOM 997 OG SER A 71 15.420 -0.932 3.576 1.00 1.76 O ATOM 0 H SER A 71 12.950 0.203 5.740 1.00 1.21 H new ATOM 0 HA SER A 71 13.554 0.736 2.886 1.00 1.08 H new ATOM 0 HB2 SER A 71 13.820 -1.810 4.525 1.00 1.11 H new ATOM 0 HB3 SER A 71 13.750 -1.827 2.774 1.00 1.11 H new ATOM 0 HG SER A 71 15.927 -1.771 3.565 1.00 1.76 H new ATOM 1003 N PRO A 72 11.003 0.517 2.519 1.00 0.98 N ATOM 1004 CA PRO A 72 9.680 0.167 2.017 1.00 0.92 C ATOM 1005 C PRO A 72 9.824 -0.926 0.949 1.00 0.88 C ATOM 1006 O PRO A 72 10.018 -0.667 -0.237 1.00 1.35 O ATOM 1007 CB PRO A 72 9.075 1.481 1.511 1.00 1.02 C ATOM 1008 CG PRO A 72 10.298 2.287 1.072 1.00 1.13 C ATOM 1009 CD PRO A 72 11.393 1.839 2.042 1.00 1.11 C ATOM 0 HA PRO A 72 9.012 -0.257 2.767 1.00 0.92 H new ATOM 0 HB2 PRO A 72 8.386 1.314 0.683 1.00 1.02 H new ATOM 0 HB3 PRO A 72 8.515 1.994 2.293 1.00 1.02 H new ATOM 0 HG2 PRO A 72 10.568 2.074 0.037 1.00 1.13 H new ATOM 0 HG3 PRO A 72 10.117 3.360 1.140 1.00 1.13 H new ATOM 0 HD2 PRO A 72 12.362 1.802 1.544 1.00 1.11 H new ATOM 0 HD3 PRO A 72 11.487 2.539 2.872 1.00 1.11 H new ATOM 1017 N MET A 73 9.741 -2.177 1.396 1.00 0.80 N ATOM 1018 CA MET A 73 9.851 -3.397 0.599 1.00 0.81 C ATOM 1019 C MET A 73 8.487 -3.757 -0.011 1.00 0.79 C ATOM 1020 O MET A 73 7.755 -4.640 0.437 1.00 1.26 O ATOM 1021 CB MET A 73 10.479 -4.475 1.491 1.00 0.97 C ATOM 1022 CG MET A 73 10.754 -5.805 0.769 1.00 1.03 C ATOM 1023 SD MET A 73 11.663 -5.721 -0.806 1.00 2.08 S ATOM 1024 CE MET A 73 13.281 -5.175 -0.212 1.00 2.74 C ATOM 0 H MET A 73 9.586 -2.378 2.384 1.00 0.80 H new ATOM 0 HA MET A 73 10.505 -3.276 -0.264 1.00 0.81 H new ATOM 0 HB2 MET A 73 11.416 -4.094 1.898 1.00 0.97 H new ATOM 0 HB3 MET A 73 9.817 -4.663 2.336 1.00 0.97 H new ATOM 0 HG2 MET A 73 11.313 -6.449 1.448 1.00 1.03 H new ATOM 0 HG3 MET A 73 9.797 -6.292 0.582 1.00 1.03 H new ATOM 0 HE1 MET A 73 13.963 -5.073 -1.056 1.00 2.74 H new ATOM 0 HE2 MET A 73 13.179 -4.213 0.290 1.00 2.74 H new ATOM 0 HE3 MET A 73 13.678 -5.910 0.488 1.00 2.74 H new ATOM 1034 N LEU A 74 8.114 -2.975 -1.022 1.00 1.03 N ATOM 1035 CA LEU A 74 6.764 -2.909 -1.587 1.00 1.15 C ATOM 1036 C LEU A 74 6.452 -4.137 -2.466 1.00 1.21 C ATOM 1037 O LEU A 74 7.205 -4.417 -3.401 1.00 1.23 O ATOM 1038 CB LEU A 74 6.681 -1.609 -2.416 1.00 1.20 C ATOM 1039 CG LEU A 74 6.983 -0.286 -1.668 1.00 2.07 C ATOM 1040 CD1 LEU A 74 7.997 0.558 -2.455 1.00 1.96 C ATOM 1041 CD2 LEU A 74 5.718 0.550 -1.467 1.00 3.58 C ATOM 0 H LEU A 74 8.767 -2.346 -1.489 1.00 1.03 H new ATOM 0 HA LEU A 74 6.025 -2.910 -0.786 1.00 1.15 H new ATOM 0 HB2 LEU A 74 7.376 -1.694 -3.252 1.00 1.20 H new ATOM 0 HB3 LEU A 74 5.679 -1.539 -2.840 1.00 1.20 H new ATOM 0 HG LEU A 74 7.391 -0.559 -0.695 1.00 2.07 H new ATOM 0 HD11 LEU A 74 8.197 1.483 -1.915 1.00 1.96 H new ATOM 0 HD12 LEU A 74 8.925 -0.002 -2.571 1.00 1.96 H new ATOM 0 HD13 LEU A 74 7.590 0.793 -3.438 1.00 1.96 H new ATOM 0 HD21 LEU A 74 5.970 1.470 -0.939 1.00 3.58 H new ATOM 0 HD22 LEU A 74 5.286 0.795 -2.437 1.00 3.58 H new ATOM 0 HD23 LEU A 74 4.996 -0.018 -0.881 1.00 3.58 H new ATOM 1053 N MET A 75 5.336 -4.844 -2.237 1.00 1.38 N ATOM 1054 CA MET A 75 4.933 -6.078 -2.942 1.00 1.60 C ATOM 1055 C MET A 75 3.391 -6.233 -3.047 1.00 1.83 C ATOM 1056 O MET A 75 2.655 -5.431 -2.471 1.00 2.25 O ATOM 1057 CB MET A 75 5.577 -7.293 -2.239 1.00 1.71 C ATOM 1058 CG MET A 75 7.094 -7.370 -2.442 1.00 2.07 C ATOM 1059 SD MET A 75 7.841 -8.871 -1.759 1.00 2.13 S ATOM 1060 CE MET A 75 9.509 -8.678 -2.428 1.00 3.49 C ATOM 0 H MET A 75 4.659 -4.564 -1.527 1.00 1.38 H new ATOM 0 HA MET A 75 5.293 -6.017 -3.969 1.00 1.60 H new ATOM 0 HB2 MET A 75 5.361 -7.244 -1.172 1.00 1.71 H new ATOM 0 HB3 MET A 75 5.119 -8.208 -2.615 1.00 1.71 H new ATOM 0 HG2 MET A 75 7.313 -7.318 -3.509 1.00 2.07 H new ATOM 0 HG3 MET A 75 7.559 -6.500 -1.979 1.00 2.07 H new ATOM 0 HE1 MET A 75 10.150 -9.469 -2.040 1.00 3.49 H new ATOM 0 HE2 MET A 75 9.474 -8.740 -3.516 1.00 3.49 H new ATOM 0 HE3 MET A 75 9.910 -7.708 -2.132 1.00 3.49 H new ATOM 1070 N THR A 76 2.946 -7.238 -3.826 1.00 1.93 N ATOM 1071 CA THR A 76 1.566 -7.627 -4.214 1.00 2.02 C ATOM 1072 C THR A 76 1.626 -8.646 -5.358 1.00 2.02 C ATOM 1073 O THR A 76 2.536 -8.573 -6.186 1.00 2.16 O ATOM 1074 CB THR A 76 0.645 -6.438 -4.559 1.00 2.37 C ATOM 1075 OG1 THR A 76 -0.663 -6.898 -4.800 1.00 3.20 O ATOM 1076 CG2 THR A 76 1.082 -5.649 -5.790 1.00 2.37 C ATOM 0 H THR A 76 3.621 -7.874 -4.251 1.00 1.93 H new ATOM 0 HA THR A 76 1.106 -8.082 -3.337 1.00 2.02 H new ATOM 0 HB THR A 76 0.698 -5.774 -3.696 1.00 2.37 H new ATOM 0 HG1 THR A 76 -1.242 -6.138 -5.017 1.00 3.20 H new ATOM 0 HG21 THR A 76 0.383 -4.831 -5.965 1.00 2.37 H new ATOM 0 HG22 THR A 76 2.081 -5.244 -5.627 1.00 2.37 H new ATOM 0 HG23 THR A 76 1.095 -6.307 -6.659 1.00 2.37 H new ATOM 1084 N THR A 77 0.665 -9.569 -5.455 1.00 1.98 N ATOM 1085 CA THR A 77 0.394 -10.352 -6.657 1.00 2.10 C ATOM 1086 C THR A 77 -1.046 -10.131 -7.117 1.00 2.49 C ATOM 1087 O THR A 77 -1.818 -9.519 -6.385 1.00 3.40 O ATOM 1088 CB THR A 77 0.673 -11.830 -6.388 1.00 2.05 C ATOM 1089 OG1 THR A 77 -0.231 -12.413 -5.483 1.00 3.23 O ATOM 1090 CG2 THR A 77 2.107 -12.105 -5.929 1.00 2.63 C ATOM 0 H THR A 77 0.041 -9.795 -4.680 1.00 1.98 H new ATOM 0 HA THR A 77 1.054 -10.023 -7.460 1.00 2.10 H new ATOM 0 HB THR A 77 0.532 -12.302 -7.360 1.00 2.05 H new ATOM 0 HG1 THR A 77 -0.428 -11.778 -4.763 1.00 3.23 H new ATOM 0 HG21 THR A 77 2.235 -13.174 -5.756 1.00 2.63 H new ATOM 0 HG22 THR A 77 2.805 -11.776 -6.699 1.00 2.63 H new ATOM 0 HG23 THR A 77 2.304 -11.562 -5.005 1.00 2.63 H new ATOM 1098 N THR A 78 -1.389 -10.625 -8.319 1.00 2.32 N ATOM 1099 CA THR A 78 -2.733 -10.762 -8.924 1.00 2.56 C ATOM 1100 C THR A 78 -2.617 -11.016 -10.425 1.00 2.18 C ATOM 1101 O THR A 78 -1.687 -10.540 -11.071 1.00 3.21 O ATOM 1102 CB THR A 78 -3.716 -9.615 -8.597 1.00 4.37 C ATOM 1103 OG1 THR A 78 -4.957 -9.861 -9.214 1.00 5.11 O ATOM 1104 CG2 THR A 78 -3.272 -8.222 -9.045 1.00 5.76 C ATOM 0 H THR A 78 -0.669 -10.971 -8.953 1.00 2.32 H new ATOM 0 HA THR A 78 -3.186 -11.633 -8.451 1.00 2.56 H new ATOM 0 HB THR A 78 -3.768 -9.608 -7.508 1.00 4.37 H new ATOM 0 HG1 THR A 78 -5.577 -9.132 -9.003 1.00 5.11 H new ATOM 0 HG21 THR A 78 -4.032 -7.491 -8.768 1.00 5.76 H new ATOM 0 HG22 THR A 78 -2.330 -7.967 -8.560 1.00 5.76 H new ATOM 0 HG23 THR A 78 -3.138 -8.213 -10.127 1.00 5.76 H new ATOM 1112 N HIS A 79 -3.575 -11.765 -10.971 1.00 2.04 N ATOM 1113 CA HIS A 79 -3.839 -11.861 -12.411 1.00 3.09 C ATOM 1114 C HIS A 79 -4.913 -10.855 -12.897 1.00 3.50 C ATOM 1115 O HIS A 79 -4.934 -10.489 -14.069 1.00 5.12 O ATOM 1116 CB HIS A 79 -4.240 -13.306 -12.766 1.00 4.28 C ATOM 1117 CG HIS A 79 -3.086 -14.229 -13.089 1.00 5.11 C ATOM 1118 ND1 HIS A 79 -3.105 -15.214 -14.048 1.00 6.63 N ATOM 1119 CD2 HIS A 79 -1.842 -14.268 -12.511 1.00 5.47 C ATOM 1120 CE1 HIS A 79 -1.913 -15.829 -14.046 1.00 7.54 C ATOM 1121 NE2 HIS A 79 -1.094 -15.280 -13.133 1.00 7.06 N ATOM 0 H HIS A 79 -4.207 -12.338 -10.411 1.00 2.04 H new ATOM 0 HA HIS A 79 -2.919 -11.596 -12.932 1.00 3.09 H new ATOM 0 HB2 HIS A 79 -4.800 -13.727 -11.931 1.00 4.28 H new ATOM 0 HB3 HIS A 79 -4.915 -13.280 -13.621 1.00 4.28 H new ATOM 0 HD2 HIS A 79 -1.497 -13.628 -11.712 1.00 5.47 H new ATOM 0 HE1 HIS A 79 -1.647 -16.654 -14.691 1.00 7.54 H new ATOM 0 HE2 HIS A 79 -0.129 -15.544 -12.933 1.00 7.06 H new ATOM 1129 N SER A 80 -5.799 -10.402 -11.999 1.00 2.57 N ATOM 1130 CA SER A 80 -6.940 -9.506 -12.283 1.00 3.07 C ATOM 1131 C SER A 80 -7.809 -9.999 -13.470 1.00 3.32 C ATOM 1132 O SER A 80 -7.866 -11.199 -13.740 1.00 4.08 O ATOM 1133 CB SER A 80 -6.399 -8.069 -12.461 1.00 3.64 C ATOM 1134 OG SER A 80 -7.412 -7.066 -12.513 1.00 5.07 O ATOM 0 H SER A 80 -5.742 -10.658 -11.013 1.00 2.57 H new ATOM 0 HA SER A 80 -7.629 -9.513 -11.439 1.00 3.07 H new ATOM 0 HB2 SER A 80 -5.721 -7.843 -11.638 1.00 3.64 H new ATOM 0 HB3 SER A 80 -5.812 -8.025 -13.378 1.00 3.64 H new ATOM 0 HG SER A 80 -6.996 -6.186 -12.625 1.00 5.07 H new ATOM 1140 N GLY A 81 -8.448 -9.087 -14.217 1.00 3.33 N ATOM 1141 CA GLY A 81 -9.156 -9.356 -15.479 1.00 4.00 C ATOM 1142 C GLY A 81 -8.209 -9.487 -16.679 1.00 4.02 C ATOM 1143 O GLY A 81 -8.532 -9.038 -17.778 1.00 4.83 O ATOM 0 H GLY A 81 -8.488 -8.104 -13.949 1.00 3.33 H new ATOM 0 HA2 GLY A 81 -9.734 -10.275 -15.377 1.00 4.00 H new ATOM 0 HA3 GLY A 81 -9.867 -8.552 -15.670 1.00 4.00 H new ATOM 1147 N GLY A 82 -6.996 -10.012 -16.453 1.00 3.68 N ATOM 1148 CA GLY A 82 -5.888 -10.040 -17.409 1.00 4.03 C ATOM 1149 C GLY A 82 -4.827 -8.984 -17.102 1.00 3.21 C ATOM 1150 O GLY A 82 -3.772 -8.990 -17.736 1.00 3.64 O ATOM 0 H GLY A 82 -6.754 -10.445 -15.562 1.00 3.68 H new ATOM 0 HA2 GLY A 82 -5.427 -11.028 -17.398 1.00 4.03 H new ATOM 0 HA3 GLY A 82 -6.276 -9.880 -18.415 1.00 4.03 H new ATOM 1154 N MET A 83 -5.081 -8.098 -16.126 1.00 2.55 N ATOM 1155 CA MET A 83 -4.126 -7.102 -15.624 1.00 2.38 C ATOM 1156 C MET A 83 -3.189 -7.732 -14.580 1.00 2.24 C ATOM 1157 O MET A 83 -3.233 -7.444 -13.380 1.00 2.51 O ATOM 1158 CB MET A 83 -4.854 -5.823 -15.159 1.00 2.76 C ATOM 1159 CG MET A 83 -3.901 -4.696 -14.718 1.00 3.26 C ATOM 1160 SD MET A 83 -2.588 -4.250 -15.888 1.00 3.80 S ATOM 1161 CE MET A 83 -3.562 -3.432 -17.174 1.00 5.31 C ATOM 0 H MET A 83 -5.983 -8.055 -15.652 1.00 2.55 H new ATOM 0 HA MET A 83 -3.475 -6.773 -16.434 1.00 2.38 H new ATOM 0 HB2 MET A 83 -5.484 -5.458 -15.971 1.00 2.76 H new ATOM 0 HB3 MET A 83 -5.516 -6.073 -14.330 1.00 2.76 H new ATOM 0 HG2 MET A 83 -4.495 -3.805 -14.515 1.00 3.26 H new ATOM 0 HG3 MET A 83 -3.436 -4.990 -13.777 1.00 3.26 H new ATOM 0 HE1 MET A 83 -2.901 -3.096 -17.973 1.00 5.31 H new ATOM 0 HE2 MET A 83 -4.292 -4.133 -17.578 1.00 5.31 H new ATOM 0 HE3 MET A 83 -4.081 -2.574 -16.747 1.00 5.31 H new ATOM 1171 N ALA A 84 -2.381 -8.669 -15.069 1.00 2.21 N ATOM 1172 CA ALA A 84 -1.501 -9.516 -14.282 1.00 2.11 C ATOM 1173 C ALA A 84 -0.101 -8.913 -14.141 1.00 2.36 C ATOM 1174 O ALA A 84 0.470 -8.418 -15.120 1.00 2.72 O ATOM 1175 CB ALA A 84 -1.442 -10.888 -14.960 1.00 2.34 C ATOM 0 H ALA A 84 -2.322 -8.864 -16.068 1.00 2.21 H new ATOM 0 HA ALA A 84 -1.895 -9.608 -13.270 1.00 2.11 H new ATOM 0 HB1 ALA A 84 -0.787 -11.547 -14.390 1.00 2.34 H new ATOM 0 HB2 ALA A 84 -2.443 -11.317 -15.000 1.00 2.34 H new ATOM 0 HB3 ALA A 84 -1.054 -10.777 -15.972 1.00 2.34 H new ATOM 1181 N GLY A 85 0.477 -9.031 -12.940 1.00 2.39 N ATOM 1182 CA GLY A 85 1.850 -8.626 -12.625 1.00 2.81 C ATOM 1183 C GLY A 85 2.566 -9.639 -11.728 1.00 2.09 C ATOM 1184 O GLY A 85 2.143 -10.788 -11.601 1.00 2.08 O ATOM 0 H GLY A 85 -0.014 -9.423 -12.136 1.00 2.39 H new ATOM 0 HA2 GLY A 85 2.412 -8.504 -13.551 1.00 2.81 H new ATOM 0 HA3 GLY A 85 1.835 -7.654 -12.131 1.00 2.81 H new ATOM 1188 N MET A 86 3.646 -9.191 -11.089 1.00 2.43 N ATOM 1189 CA MET A 86 4.512 -9.965 -10.183 1.00 2.01 C ATOM 1190 C MET A 86 5.238 -9.026 -9.213 1.00 2.05 C ATOM 1191 O MET A 86 5.429 -7.851 -9.517 1.00 3.07 O ATOM 1192 CB MET A 86 5.467 -10.876 -10.979 1.00 2.80 C ATOM 1193 CG MET A 86 6.377 -10.142 -11.974 1.00 4.05 C ATOM 1194 SD MET A 86 7.314 -11.280 -13.028 1.00 4.80 S ATOM 1195 CE MET A 86 8.244 -10.077 -14.009 1.00 6.69 C ATOM 0 H MET A 86 3.962 -8.227 -11.191 1.00 2.43 H new ATOM 0 HA MET A 86 3.897 -10.630 -9.576 1.00 2.01 H new ATOM 0 HB2 MET A 86 6.091 -11.427 -10.276 1.00 2.80 H new ATOM 0 HB3 MET A 86 4.875 -11.611 -11.524 1.00 2.80 H new ATOM 0 HG2 MET A 86 5.771 -9.487 -12.600 1.00 4.05 H new ATOM 0 HG3 MET A 86 7.071 -9.505 -11.425 1.00 4.05 H new ATOM 0 HE1 MET A 86 8.882 -10.602 -14.720 1.00 6.69 H new ATOM 0 HE2 MET A 86 7.550 -9.435 -14.551 1.00 6.69 H new ATOM 0 HE3 MET A 86 8.861 -9.468 -13.348 1.00 6.69 H new ATOM 1205 N LYS A 87 5.576 -9.497 -8.008 1.00 1.59 N ATOM 1206 CA LYS A 87 5.851 -8.577 -6.899 1.00 2.20 C ATOM 1207 C LYS A 87 7.197 -7.816 -7.003 1.00 1.45 C ATOM 1208 O LYS A 87 8.235 -8.453 -7.139 1.00 1.73 O ATOM 1209 CB LYS A 87 5.652 -9.287 -5.537 1.00 3.83 C ATOM 1210 CG LYS A 87 6.758 -10.225 -5.001 1.00 4.41 C ATOM 1211 CD LYS A 87 6.725 -11.680 -5.491 1.00 5.43 C ATOM 1212 CE LYS A 87 5.621 -12.465 -4.759 1.00 6.93 C ATOM 1213 NZ LYS A 87 5.716 -13.924 -5.011 1.00 8.12 N ATOM 0 H LYS A 87 5.664 -10.487 -7.778 1.00 1.59 H new ATOM 0 HA LYS A 87 5.111 -7.781 -6.974 1.00 2.20 H new ATOM 0 HB2 LYS A 87 5.487 -8.514 -4.786 1.00 3.83 H new ATOM 0 HB3 LYS A 87 4.733 -9.869 -5.603 1.00 3.83 H new ATOM 0 HG2 LYS A 87 7.725 -9.798 -5.267 1.00 4.41 H new ATOM 0 HG3 LYS A 87 6.701 -10.231 -3.913 1.00 4.41 H new ATOM 0 HD2 LYS A 87 6.547 -11.705 -6.566 1.00 5.43 H new ATOM 0 HD3 LYS A 87 7.692 -12.152 -5.317 1.00 5.43 H new ATOM 0 HE2 LYS A 87 5.692 -12.277 -3.688 1.00 6.93 H new ATOM 0 HE3 LYS A 87 4.645 -12.104 -5.082 1.00 6.93 H new ATOM 0 HZ1 LYS A 87 4.955 -14.415 -4.500 1.00 8.12 H new ATOM 0 HZ2 LYS A 87 5.623 -14.107 -6.031 1.00 8.12 H new ATOM 0 HZ3 LYS A 87 6.637 -14.274 -4.679 1.00 8.12 H new ATOM 1227 N MET A 88 7.155 -6.484 -6.834 1.00 1.92 N ATOM 1228 CA MET A 88 8.227 -5.526 -6.525 1.00 2.13 C ATOM 1229 C MET A 88 7.726 -4.129 -6.917 1.00 1.97 C ATOM 1230 O MET A 88 7.740 -3.778 -8.089 1.00 2.45 O ATOM 1231 CB MET A 88 9.577 -5.878 -7.171 1.00 2.86 C ATOM 1232 CG MET A 88 10.546 -4.727 -6.922 1.00 3.82 C ATOM 1233 SD MET A 88 12.299 -5.129 -7.120 1.00 4.93 S ATOM 1234 CE MET A 88 12.331 -5.613 -8.860 1.00 4.46 C ATOM 0 H MET A 88 6.263 -5.997 -6.921 1.00 1.92 H new ATOM 0 HA MET A 88 8.441 -5.562 -5.457 1.00 2.13 H new ATOM 0 HB2 MET A 88 9.970 -6.803 -6.748 1.00 2.86 H new ATOM 0 HB3 MET A 88 9.453 -6.044 -8.241 1.00 2.86 H new ATOM 0 HG2 MET A 88 10.299 -3.913 -7.603 1.00 3.82 H new ATOM 0 HG3 MET A 88 10.388 -4.355 -5.910 1.00 3.82 H new ATOM 0 HE1 MET A 88 13.355 -5.840 -9.156 1.00 4.46 H new ATOM 0 HE2 MET A 88 11.707 -6.495 -9.004 1.00 4.46 H new ATOM 0 HE3 MET A 88 11.950 -4.796 -9.472 1.00 4.46 H new ATOM 1244 N VAL A 89 7.221 -3.374 -5.938 1.00 2.16 N ATOM 1245 CA VAL A 89 6.329 -2.210 -6.099 1.00 1.87 C ATOM 1246 C VAL A 89 4.936 -2.689 -6.573 1.00 1.50 C ATOM 1247 O VAL A 89 4.858 -3.572 -7.429 1.00 1.71 O ATOM 1248 CB VAL A 89 6.894 -1.087 -7.020 1.00 2.06 C ATOM 1249 CG1 VAL A 89 6.120 0.233 -6.835 1.00 3.14 C ATOM 1250 CG2 VAL A 89 8.368 -0.769 -6.690 1.00 3.29 C ATOM 0 H VAL A 89 7.431 -3.564 -4.958 1.00 2.16 H new ATOM 0 HA VAL A 89 6.246 -1.740 -5.119 1.00 1.87 H new ATOM 0 HB VAL A 89 6.795 -1.463 -8.038 1.00 2.06 H new ATOM 0 HG11 VAL A 89 6.539 0.996 -7.492 1.00 3.14 H new ATOM 0 HG12 VAL A 89 5.070 0.077 -7.084 1.00 3.14 H new ATOM 0 HG13 VAL A 89 6.203 0.561 -5.799 1.00 3.14 H new ATOM 0 HG21 VAL A 89 8.727 0.018 -7.352 1.00 3.29 H new ATOM 0 HG22 VAL A 89 8.445 -0.436 -5.655 1.00 3.29 H new ATOM 0 HG23 VAL A 89 8.973 -1.665 -6.829 1.00 3.29 H new ATOM 1260 N PRO A 90 3.823 -2.172 -6.016 1.00 1.27 N ATOM 1261 CA PRO A 90 2.496 -2.392 -6.574 1.00 1.17 C ATOM 1262 C PRO A 90 2.324 -1.607 -7.877 1.00 1.27 C ATOM 1263 O PRO A 90 3.269 -1.085 -8.462 1.00 2.43 O ATOM 1264 CB PRO A 90 1.518 -1.978 -5.461 1.00 1.47 C ATOM 1265 CG PRO A 90 2.286 -0.880 -4.731 1.00 1.61 C ATOM 1266 CD PRO A 90 3.724 -1.384 -4.796 1.00 1.50 C ATOM 0 HA PRO A 90 2.315 -3.429 -6.858 1.00 1.17 H new ATOM 0 HB2 PRO A 90 0.575 -1.612 -5.866 1.00 1.47 H new ATOM 0 HB3 PRO A 90 1.279 -2.812 -4.801 1.00 1.47 H new ATOM 0 HG2 PRO A 90 2.173 0.088 -5.219 1.00 1.61 H new ATOM 0 HG3 PRO A 90 1.944 -0.760 -3.703 1.00 1.61 H new ATOM 0 HD2 PRO A 90 4.428 -0.552 -4.812 1.00 1.50 H new ATOM 0 HD3 PRO A 90 3.965 -1.988 -3.921 1.00 1.50 H new ATOM 1274 N TRP A 91 1.083 -1.529 -8.341 1.00 1.24 N ATOM 1275 CA TRP A 91 0.693 -0.801 -9.534 1.00 1.31 C ATOM 1276 C TRP A 91 -0.652 -0.131 -9.276 1.00 1.79 C ATOM 1277 O TRP A 91 -1.473 -0.621 -8.501 1.00 2.47 O ATOM 1278 CB TRP A 91 0.675 -1.756 -10.740 1.00 1.84 C ATOM 1279 CG TRP A 91 0.091 -3.120 -10.508 1.00 2.15 C ATOM 1280 CD1 TRP A 91 -1.217 -3.450 -10.581 1.00 2.18 C ATOM 1281 CD2 TRP A 91 0.784 -4.345 -10.103 1.00 2.77 C ATOM 1282 NE1 TRP A 91 -1.375 -4.793 -10.294 1.00 2.59 N ATOM 1283 CE2 TRP A 91 -0.176 -5.392 -9.985 1.00 2.97 C ATOM 1284 CE3 TRP A 91 2.121 -4.673 -9.788 1.00 3.39 C ATOM 1285 CZ2 TRP A 91 0.164 -6.694 -9.598 1.00 3.62 C ATOM 1286 CZ3 TRP A 91 2.479 -5.979 -9.400 1.00 4.12 C ATOM 1287 CH2 TRP A 91 1.507 -6.991 -9.310 1.00 4.20 C ATOM 0 H TRP A 91 0.297 -1.987 -7.879 1.00 1.24 H new ATOM 0 HA TRP A 91 1.411 -0.016 -9.772 1.00 1.31 H new ATOM 0 HB2 TRP A 91 0.116 -1.278 -11.545 1.00 1.84 H new ATOM 0 HB3 TRP A 91 1.699 -1.879 -11.093 1.00 1.84 H new ATOM 0 HD1 TRP A 91 -2.018 -2.768 -10.826 1.00 2.18 H new ATOM 0 HE1 TRP A 91 -2.271 -5.280 -10.309 1.00 2.59 H new ATOM 0 HE3 TRP A 91 2.882 -3.909 -9.846 1.00 3.39 H new ATOM 0 HZ2 TRP A 91 -0.595 -7.459 -9.522 1.00 3.62 H new ATOM 0 HZ3 TRP A 91 3.510 -6.205 -9.170 1.00 4.12 H new ATOM 0 HH2 TRP A 91 1.791 -7.992 -9.021 1.00 4.20 H new ATOM 1298 N LEU A 92 -0.883 1.010 -9.924 1.00 1.88 N ATOM 1299 CA LEU A 92 -2.143 1.745 -9.872 1.00 2.55 C ATOM 1300 C LEU A 92 -2.422 2.334 -11.264 1.00 2.27 C ATOM 1301 O LEU A 92 -2.529 3.541 -11.455 1.00 2.95 O ATOM 1302 CB LEU A 92 -2.076 2.724 -8.680 1.00 3.70 C ATOM 1303 CG LEU A 92 -3.435 3.057 -8.033 1.00 4.68 C ATOM 1304 CD1 LEU A 92 -3.228 3.357 -6.539 1.00 6.02 C ATOM 1305 CD2 LEU A 92 -4.153 4.260 -8.666 1.00 5.80 C ATOM 0 H LEU A 92 -0.182 1.458 -10.513 1.00 1.88 H new ATOM 0 HA LEU A 92 -3.017 1.126 -9.668 1.00 2.55 H new ATOM 0 HB2 LEU A 92 -1.422 2.301 -7.918 1.00 3.70 H new ATOM 0 HB3 LEU A 92 -1.614 3.652 -9.017 1.00 3.70 H new ATOM 0 HG LEU A 92 -4.066 2.183 -8.194 1.00 4.68 H new ATOM 0 HD11 LEU A 92 -4.188 3.593 -6.079 1.00 6.02 H new ATOM 0 HD12 LEU A 92 -2.795 2.485 -6.049 1.00 6.02 H new ATOM 0 HD13 LEU A 92 -2.554 4.207 -6.428 1.00 6.02 H new ATOM 0 HD21 LEU A 92 -5.101 4.429 -8.154 1.00 5.80 H new ATOM 0 HD22 LEU A 92 -3.527 5.148 -8.573 1.00 5.80 H new ATOM 0 HD23 LEU A 92 -4.341 4.058 -9.721 1.00 5.80 H new ATOM 1317 N THR A 93 -2.504 1.422 -12.241 1.00 2.33 N ATOM 1318 CA THR A 93 -3.178 1.626 -13.522 1.00 2.86 C ATOM 1319 C THR A 93 -4.507 0.887 -13.421 1.00 2.41 C ATOM 1320 O THR A 93 -4.529 -0.311 -13.139 1.00 2.60 O ATOM 1321 CB THR A 93 -2.318 1.189 -14.715 1.00 4.10 C ATOM 1322 OG1 THR A 93 -3.094 1.372 -15.874 1.00 5.26 O ATOM 1323 CG2 THR A 93 -1.827 -0.262 -14.703 1.00 5.22 C ATOM 0 H THR A 93 -2.089 0.494 -12.155 1.00 2.33 H new ATOM 0 HA THR A 93 -3.352 2.685 -13.714 1.00 2.86 H new ATOM 0 HB THR A 93 -1.414 1.797 -14.671 1.00 4.10 H new ATOM 0 HG1 THR A 93 -2.575 1.104 -16.661 1.00 5.26 H new ATOM 0 HG21 THR A 93 -1.231 -0.452 -15.596 1.00 5.22 H new ATOM 0 HG22 THR A 93 -1.217 -0.432 -13.816 1.00 5.22 H new ATOM 0 HG23 THR A 93 -2.684 -0.936 -14.689 1.00 5.22 H new ATOM 1331 N ILE A 94 -5.622 1.602 -13.543 1.00 2.19 N ATOM 1332 CA ILE A 94 -6.965 1.027 -13.390 1.00 1.89 C ATOM 1333 C ILE A 94 -7.571 0.823 -14.788 1.00 1.93 C ATOM 1334 O ILE A 94 -7.934 1.817 -15.414 1.00 2.21 O ATOM 1335 CB ILE A 94 -7.845 1.936 -12.492 1.00 2.28 C ATOM 1336 CG1 ILE A 94 -7.551 1.798 -10.980 1.00 2.77 C ATOM 1337 CG2 ILE A 94 -9.351 1.639 -12.643 1.00 3.47 C ATOM 1338 CD1 ILE A 94 -6.123 2.110 -10.535 1.00 4.23 C ATOM 0 H ILE A 94 -5.625 2.600 -13.751 1.00 2.19 H new ATOM 0 HA ILE A 94 -6.911 0.059 -12.892 1.00 1.89 H new ATOM 0 HB ILE A 94 -7.592 2.938 -12.839 1.00 2.28 H new ATOM 0 HG12 ILE A 94 -8.229 2.457 -10.438 1.00 2.77 H new ATOM 0 HG13 ILE A 94 -7.788 0.778 -10.677 1.00 2.77 H new ATOM 0 HG21 ILE A 94 -9.920 2.303 -11.993 1.00 3.47 H new ATOM 0 HG22 ILE A 94 -9.652 1.800 -13.678 1.00 3.47 H new ATOM 0 HG23 ILE A 94 -9.547 0.603 -12.365 1.00 3.47 H new ATOM 0 HD11 ILE A 94 -6.041 1.978 -9.456 1.00 4.23 H new ATOM 0 HD12 ILE A 94 -5.430 1.435 -11.037 1.00 4.23 H new ATOM 0 HD13 ILE A 94 -5.878 3.140 -10.794 1.00 4.23 H new ATOM 1350 N PRO A 95 -7.769 -0.424 -15.264 1.00 2.11 N ATOM 1351 CA PRO A 95 -8.578 -0.706 -16.453 1.00 2.49 C ATOM 1352 C PRO A 95 -10.083 -0.423 -16.236 1.00 2.14 C ATOM 1353 O PRO A 95 -10.894 -1.343 -16.170 1.00 2.65 O ATOM 1354 CB PRO A 95 -8.255 -2.152 -16.868 1.00 3.17 C ATOM 1355 CG PRO A 95 -7.353 -2.739 -15.784 1.00 3.07 C ATOM 1356 CD PRO A 95 -6.989 -1.584 -14.856 1.00 2.48 C ATOM 0 HA PRO A 95 -8.325 -0.030 -17.270 1.00 2.49 H new ATOM 0 HB2 PRO A 95 -9.169 -2.738 -16.967 1.00 3.17 H new ATOM 0 HB3 PRO A 95 -7.756 -2.172 -17.837 1.00 3.17 H new ATOM 0 HG2 PRO A 95 -7.867 -3.530 -15.237 1.00 3.07 H new ATOM 0 HG3 PRO A 95 -6.459 -3.183 -16.221 1.00 3.07 H new ATOM 0 HD2 PRO A 95 -7.204 -1.844 -13.820 1.00 2.48 H new ATOM 0 HD3 PRO A 95 -5.922 -1.368 -14.915 1.00 2.48 H new ATOM 1364 N ALA A 96 -10.431 0.863 -16.069 1.00 1.86 N ATOM 1365 CA ALA A 96 -11.772 1.481 -16.029 1.00 1.92 C ATOM 1366 C ALA A 96 -12.890 0.699 -15.323 1.00 1.99 C ATOM 1367 O ALA A 96 -14.057 0.787 -15.694 1.00 3.08 O ATOM 1368 CB ALA A 96 -12.130 1.930 -17.456 1.00 2.34 C ATOM 0 H ALA A 96 -9.707 1.571 -15.946 1.00 1.86 H new ATOM 0 HA ALA A 96 -11.701 2.339 -15.360 1.00 1.92 H new ATOM 0 HB1 ALA A 96 -13.118 2.391 -17.455 1.00 2.34 H new ATOM 0 HB2 ALA A 96 -11.393 2.653 -17.806 1.00 2.34 H new ATOM 0 HB3 ALA A 96 -12.134 1.065 -18.119 1.00 2.34 H new ATOM 1374 N ARG A 97 -12.486 -0.065 -14.304 1.00 1.73 N ATOM 1375 CA ARG A 97 -13.185 -1.175 -13.640 1.00 1.87 C ATOM 1376 C ARG A 97 -12.192 -2.126 -12.944 1.00 1.89 C ATOM 1377 O ARG A 97 -12.568 -2.831 -12.006 1.00 2.60 O ATOM 1378 CB ARG A 97 -14.141 -1.912 -14.618 1.00 1.98 C ATOM 1379 CG ARG A 97 -14.620 -3.337 -14.274 1.00 2.38 C ATOM 1380 CD ARG A 97 -13.586 -4.419 -14.641 1.00 3.38 C ATOM 1381 NE ARG A 97 -14.166 -5.768 -14.699 1.00 3.98 N ATOM 1382 CZ ARG A 97 -14.814 -6.310 -15.725 1.00 4.08 C ATOM 1383 NH1 ARG A 97 -15.155 -5.625 -16.800 1.00 3.88 N ATOM 1384 NH2 ARG A 97 -15.112 -7.585 -15.671 1.00 5.11 N ATOM 0 H ARG A 97 -11.572 0.092 -13.880 1.00 1.73 H new ATOM 0 HA ARG A 97 -13.814 -0.755 -12.855 1.00 1.87 H new ATOM 0 HB2 ARG A 97 -15.027 -1.289 -14.742 1.00 1.98 H new ATOM 0 HB3 ARG A 97 -13.646 -1.958 -15.588 1.00 1.98 H new ATOM 0 HG2 ARG A 97 -14.837 -3.395 -13.207 1.00 2.38 H new ATOM 0 HG3 ARG A 97 -15.553 -3.539 -14.800 1.00 2.38 H new ATOM 0 HD2 ARG A 97 -13.143 -4.178 -15.607 1.00 3.38 H new ATOM 0 HD3 ARG A 97 -12.779 -4.407 -13.908 1.00 3.38 H new ATOM 0 HE ARG A 97 -14.060 -6.348 -13.866 1.00 3.98 H new ATOM 0 HH11 ARG A 97 -14.921 -4.634 -16.869 1.00 3.88 H new ATOM 0 HH12 ARG A 97 -15.652 -6.086 -17.562 1.00 3.88 H new ATOM 0 HH21 ARG A 97 -14.847 -8.137 -14.855 1.00 5.11 H new ATOM 0 HH22 ARG A 97 -15.609 -8.026 -16.445 1.00 5.11 H new ATOM 1398 N GLY A 98 -10.909 -2.131 -13.339 1.00 1.53 N ATOM 1399 CA GLY A 98 -9.844 -2.931 -12.718 1.00 1.67 C ATOM 1400 C GLY A 98 -9.389 -2.291 -11.409 1.00 2.02 C ATOM 1401 O GLY A 98 -8.271 -1.793 -11.304 1.00 3.50 O ATOM 0 H GLY A 98 -10.576 -1.564 -14.119 1.00 1.53 H new ATOM 0 HA2 GLY A 98 -10.204 -3.942 -12.529 1.00 1.67 H new ATOM 0 HA3 GLY A 98 -8.999 -3.016 -13.401 1.00 1.67 H new ATOM 1405 N THR A 99 -10.324 -2.262 -10.460 1.00 1.82 N ATOM 1406 CA THR A 99 -10.266 -1.707 -9.106 1.00 2.18 C ATOM 1407 C THR A 99 -9.122 -2.370 -8.344 1.00 1.94 C ATOM 1408 O THR A 99 -9.184 -3.541 -7.969 1.00 2.39 O ATOM 1409 CB THR A 99 -11.651 -1.938 -8.481 1.00 3.00 C ATOM 1410 OG1 THR A 99 -12.565 -1.171 -9.247 1.00 3.88 O ATOM 1411 CG2 THR A 99 -11.820 -1.543 -7.013 1.00 3.82 C ATOM 0 H THR A 99 -11.241 -2.671 -10.640 1.00 1.82 H new ATOM 0 HA THR A 99 -10.054 -0.638 -9.085 1.00 2.18 H new ATOM 0 HB THR A 99 -11.817 -3.015 -8.496 1.00 3.00 H new ATOM 0 HG1 THR A 99 -12.157 -0.311 -9.479 1.00 3.88 H new ATOM 0 HG21 THR A 99 -12.840 -1.756 -6.694 1.00 3.82 H new ATOM 0 HG22 THR A 99 -11.122 -2.113 -6.400 1.00 3.82 H new ATOM 0 HG23 THR A 99 -11.619 -0.478 -6.897 1.00 3.82 H new ATOM 1419 N LEU A 100 -8.032 -1.621 -8.202 1.00 1.56 N ATOM 1420 CA LEU A 100 -6.806 -2.091 -7.557 1.00 1.47 C ATOM 1421 C LEU A 100 -6.996 -2.504 -6.088 1.00 1.45 C ATOM 1422 O LEU A 100 -7.990 -2.156 -5.458 1.00 1.65 O ATOM 1423 CB LEU A 100 -5.689 -1.053 -7.757 1.00 1.65 C ATOM 1424 CG LEU A 100 -4.551 -1.548 -8.660 1.00 2.50 C ATOM 1425 CD1 LEU A 100 -3.803 -2.732 -8.023 1.00 3.57 C ATOM 1426 CD2 LEU A 100 -5.027 -1.883 -10.082 1.00 3.98 C ATOM 0 H LEU A 100 -7.973 -0.659 -8.535 1.00 1.56 H new ATOM 0 HA LEU A 100 -6.506 -3.018 -8.046 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -6.117 -0.148 -8.188 1.00 1.65 H new ATOM 0 HB3 LEU A 100 -5.279 -0.780 -6.785 1.00 1.65 H new ATOM 0 HG LEU A 100 -3.848 -0.721 -8.756 1.00 2.50 H new ATOM 0 HD11 LEU A 100 -3.004 -3.058 -8.689 1.00 3.57 H new ATOM 0 HD12 LEU A 100 -3.377 -2.422 -7.069 1.00 3.57 H new ATOM 0 HD13 LEU A 100 -4.498 -3.556 -7.860 1.00 3.57 H new ATOM 0 HD21 LEU A 100 -4.181 -2.228 -10.677 1.00 3.98 H new ATOM 0 HD22 LEU A 100 -5.783 -2.667 -10.037 1.00 3.98 H new ATOM 0 HD23 LEU A 100 -5.455 -0.992 -10.542 1.00 3.98 H new ATOM 1438 N THR A 101 -6.045 -3.294 -5.566 1.00 1.48 N ATOM 1439 CA THR A 101 -6.287 -4.388 -4.606 1.00 1.42 C ATOM 1440 C THR A 101 -4.936 -4.959 -4.148 1.00 1.20 C ATOM 1441 O THR A 101 -4.130 -5.262 -5.024 1.00 1.67 O ATOM 1442 CB THR A 101 -7.106 -5.464 -5.352 1.00 2.17 C ATOM 1443 OG1 THR A 101 -8.445 -5.034 -5.503 1.00 3.04 O ATOM 1444 CG2 THR A 101 -7.222 -6.792 -4.608 1.00 2.69 C ATOM 0 H THR A 101 -5.059 -3.189 -5.805 1.00 1.48 H new ATOM 0 HA THR A 101 -6.828 -4.043 -3.725 1.00 1.42 H new ATOM 0 HB THR A 101 -6.571 -5.606 -6.291 1.00 2.17 H new ATOM 0 HG1 THR A 101 -8.565 -4.643 -6.394 1.00 3.04 H new ATOM 0 HG21 THR A 101 -7.812 -7.491 -5.201 1.00 2.69 H new ATOM 0 HG22 THR A 101 -6.227 -7.205 -4.444 1.00 2.69 H new ATOM 0 HG23 THR A 101 -7.710 -6.629 -3.647 1.00 2.69 H new ATOM 1452 N LEU A 102 -4.692 -5.110 -2.833 1.00 1.29 N ATOM 1453 CA LEU A 102 -3.502 -5.759 -2.231 1.00 1.71 C ATOM 1454 C LEU A 102 -3.724 -6.160 -0.754 1.00 1.41 C ATOM 1455 O LEU A 102 -4.304 -5.403 0.024 1.00 1.42 O ATOM 1456 CB LEU A 102 -2.197 -4.955 -2.441 1.00 2.40 C ATOM 1457 CG LEU A 102 -2.045 -3.614 -1.693 1.00 2.85 C ATOM 1458 CD1 LEU A 102 -0.562 -3.220 -1.670 1.00 3.87 C ATOM 1459 CD2 LEU A 102 -2.849 -2.471 -2.330 1.00 3.45 C ATOM 0 H LEU A 102 -5.344 -4.770 -2.126 1.00 1.29 H new ATOM 0 HA LEU A 102 -3.366 -6.689 -2.782 1.00 1.71 H new ATOM 0 HB2 LEU A 102 -1.361 -5.594 -2.155 1.00 2.40 H new ATOM 0 HB3 LEU A 102 -2.095 -4.756 -3.508 1.00 2.40 H new ATOM 0 HG LEU A 102 -2.437 -3.764 -0.687 1.00 2.85 H new ATOM 0 HD11 LEU A 102 -0.445 -2.273 -1.143 1.00 3.87 H new ATOM 0 HD12 LEU A 102 0.012 -3.993 -1.159 1.00 3.87 H new ATOM 0 HD13 LEU A 102 -0.198 -3.114 -2.692 1.00 3.87 H new ATOM 0 HD21 LEU A 102 -2.699 -1.557 -1.756 1.00 3.45 H new ATOM 0 HD22 LEU A 102 -2.512 -2.316 -3.355 1.00 3.45 H new ATOM 0 HD23 LEU A 102 -3.908 -2.728 -2.332 1.00 3.45 H new ATOM 1471 N GLN A 103 -3.229 -7.339 -0.342 1.00 1.43 N ATOM 1472 CA GLN A 103 -3.623 -8.038 0.903 1.00 1.44 C ATOM 1473 C GLN A 103 -2.563 -9.052 1.336 1.00 1.67 C ATOM 1474 O GLN A 103 -2.016 -9.720 0.475 1.00 1.90 O ATOM 1475 CB GLN A 103 -4.969 -8.798 0.757 1.00 1.66 C ATOM 1476 CG GLN A 103 -5.211 -9.578 -0.554 1.00 3.10 C ATOM 1477 CD GLN A 103 -5.462 -8.686 -1.770 1.00 3.43 C ATOM 1478 OE1 GLN A 103 -6.236 -7.746 -1.736 1.00 3.44 O ATOM 1479 NE2 GLN A 103 -4.762 -8.903 -2.865 1.00 4.69 N ATOM 0 H GLN A 103 -2.525 -7.849 -0.876 1.00 1.43 H new ATOM 0 HA GLN A 103 -3.729 -7.254 1.653 1.00 1.44 H new ATOM 0 HB2 GLN A 103 -5.049 -9.501 1.586 1.00 1.66 H new ATOM 0 HB3 GLN A 103 -5.777 -8.076 0.872 1.00 1.66 H new ATOM 0 HG2 GLN A 103 -4.347 -10.211 -0.753 1.00 3.10 H new ATOM 0 HG3 GLN A 103 -6.067 -10.240 -0.419 1.00 3.10 H new ATOM 0 HE21 GLN A 103 -4.110 -9.687 -2.907 1.00 4.69 H new ATOM 0 HE22 GLN A 103 -4.872 -8.287 -3.671 1.00 4.69 H new ATOM 1488 N ARG A 104 -2.345 -9.278 2.647 1.00 1.83 N ATOM 1489 CA ARG A 104 -1.385 -10.304 3.128 1.00 2.24 C ATOM 1490 C ARG A 104 -1.631 -11.679 2.481 1.00 2.56 C ATOM 1491 O ARG A 104 -0.695 -12.360 2.073 1.00 2.66 O ATOM 1492 CB ARG A 104 -1.395 -10.384 4.675 1.00 2.43 C ATOM 1493 CG ARG A 104 -0.247 -11.235 5.277 1.00 3.34 C ATOM 1494 CD ARG A 104 0.177 -10.738 6.679 1.00 4.41 C ATOM 1495 NE ARG A 104 1.095 -11.647 7.413 1.00 5.53 N ATOM 1496 CZ ARG A 104 2.341 -11.992 7.092 1.00 6.24 C ATOM 1497 NH1 ARG A 104 2.971 -11.474 6.058 1.00 6.57 N ATOM 1498 NH2 ARG A 104 2.998 -12.837 7.863 1.00 7.41 N ATOM 0 H ARG A 104 -2.817 -8.768 3.393 1.00 1.83 H new ATOM 0 HA ARG A 104 -0.388 -9.992 2.816 1.00 2.24 H new ATOM 0 HB2 ARG A 104 -1.334 -9.374 5.080 1.00 2.43 H new ATOM 0 HB3 ARG A 104 -2.349 -10.800 5.000 1.00 2.43 H new ATOM 0 HG2 ARG A 104 -0.565 -12.275 5.343 1.00 3.34 H new ATOM 0 HG3 ARG A 104 0.613 -11.206 4.608 1.00 3.34 H new ATOM 0 HD2 ARG A 104 0.659 -9.766 6.574 1.00 4.41 H new ATOM 0 HD3 ARG A 104 -0.719 -10.586 7.281 1.00 4.41 H new ATOM 0 HE ARG A 104 0.725 -12.058 8.270 1.00 5.53 H new ATOM 0 HH11 ARG A 104 2.505 -10.783 5.471 1.00 6.57 H new ATOM 0 HH12 ARG A 104 3.925 -11.764 5.845 1.00 6.57 H new ATOM 0 HH21 ARG A 104 2.552 -13.220 8.696 1.00 7.41 H new ATOM 0 HH22 ARG A 104 3.952 -13.107 7.626 1.00 7.41 H new ATOM 1512 N ASP A 105 -2.906 -12.035 2.286 1.00 2.93 N ATOM 1513 CA ASP A 105 -3.333 -13.287 1.649 1.00 3.46 C ATOM 1514 C ASP A 105 -2.917 -13.440 0.162 1.00 3.16 C ATOM 1515 O ASP A 105 -2.868 -14.562 -0.340 1.00 3.43 O ATOM 1516 CB ASP A 105 -4.858 -13.442 1.826 1.00 4.09 C ATOM 1517 CG ASP A 105 -5.297 -14.915 1.755 1.00 4.55 C ATOM 1518 OD1 ASP A 105 -4.745 -15.723 2.547 1.00 5.83 O ATOM 1519 OD2 ASP A 105 -6.207 -15.233 0.953 1.00 4.37 O ATOM 0 H ASP A 105 -3.688 -11.447 2.573 1.00 2.93 H new ATOM 0 HA ASP A 105 -2.803 -14.094 2.155 1.00 3.46 H new ATOM 0 HB2 ASP A 105 -5.157 -13.020 2.786 1.00 4.09 H new ATOM 0 HB3 ASP A 105 -5.373 -12.872 1.053 1.00 4.09 H new ATOM 1524 N GLY A 106 -2.560 -12.337 -0.512 1.00 2.80 N ATOM 1525 CA GLY A 106 -2.074 -12.272 -1.901 1.00 2.65 C ATOM 1526 C GLY A 106 -0.829 -11.400 -2.101 1.00 2.56 C ATOM 1527 O GLY A 106 -0.567 -10.999 -3.233 1.00 2.51 O ATOM 0 H GLY A 106 -2.605 -11.414 -0.080 1.00 2.80 H new ATOM 0 HA2 GLY A 106 -1.852 -13.283 -2.242 1.00 2.65 H new ATOM 0 HA3 GLY A 106 -2.875 -11.890 -2.535 1.00 2.65 H new ATOM 1531 N ASP A 107 -0.097 -11.103 -1.029 1.00 3.16 N ATOM 1532 CA ASP A 107 1.121 -10.291 -0.945 1.00 3.59 C ATOM 1533 C ASP A 107 0.814 -8.775 -0.859 1.00 2.51 C ATOM 1534 O ASP A 107 -0.246 -8.286 -1.253 1.00 2.23 O ATOM 1535 CB ASP A 107 2.158 -10.678 -2.023 1.00 4.82 C ATOM 1536 CG ASP A 107 3.610 -10.381 -1.632 1.00 6.14 C ATOM 1537 OD1 ASP A 107 3.864 -9.835 -0.532 1.00 7.20 O ATOM 1538 OD2 ASP A 107 4.506 -10.719 -2.437 1.00 6.77 O ATOM 0 H ASP A 107 -0.364 -11.457 -0.110 1.00 3.16 H new ATOM 0 HA ASP A 107 1.605 -10.527 0.002 1.00 3.59 H new ATOM 0 HB2 ASP A 107 2.062 -11.742 -2.239 1.00 4.82 H new ATOM 0 HB3 ASP A 107 1.925 -10.144 -2.944 1.00 4.82 H new ATOM 1543 N HIS A 108 1.737 -8.005 -0.285 1.00 2.19 N ATOM 1544 CA HIS A 108 1.448 -6.721 0.375 1.00 1.60 C ATOM 1545 C HIS A 108 2.716 -5.865 0.561 1.00 1.47 C ATOM 1546 O HIS A 108 3.816 -6.414 0.509 1.00 1.94 O ATOM 1547 CB HIS A 108 0.804 -7.026 1.742 1.00 1.70 C ATOM 1548 CG HIS A 108 1.653 -7.799 2.738 1.00 2.13 C ATOM 1549 ND1 HIS A 108 2.975 -8.167 2.627 1.00 2.39 N ATOM 1550 CD2 HIS A 108 1.230 -8.246 3.957 1.00 3.09 C ATOM 1551 CE1 HIS A 108 3.321 -8.845 3.734 1.00 2.86 C ATOM 1552 NE2 HIS A 108 2.271 -8.942 4.577 1.00 3.33 N ATOM 0 H HIS A 108 2.726 -8.255 -0.262 1.00 2.19 H new ATOM 0 HA HIS A 108 0.772 -6.142 -0.254 1.00 1.60 H new ATOM 0 HB2 HIS A 108 0.516 -6.080 2.201 1.00 1.70 H new ATOM 0 HB3 HIS A 108 -0.114 -7.588 1.568 1.00 1.70 H new ATOM 0 HD1 HIS A 108 3.588 -7.960 1.838 1.00 2.39 H new ATOM 0 HD2 HIS A 108 0.247 -8.087 4.375 1.00 3.09 H new ATOM 0 HE1 HIS A 108 4.302 -9.255 3.923 1.00 2.86 H new ATOM 1560 N VAL A 109 2.608 -4.553 0.804 1.00 1.00 N ATOM 1561 CA VAL A 109 3.798 -3.685 0.873 1.00 0.80 C ATOM 1562 C VAL A 109 4.414 -3.763 2.268 1.00 0.77 C ATOM 1563 O VAL A 109 3.753 -3.408 3.240 1.00 1.04 O ATOM 1564 CB VAL A 109 3.540 -2.235 0.390 1.00 0.93 C ATOM 1565 CG1 VAL A 109 3.104 -2.217 -1.087 1.00 2.45 C ATOM 1566 CG2 VAL A 109 2.510 -1.434 1.193 1.00 2.17 C ATOM 0 H VAL A 109 1.722 -4.070 0.955 1.00 1.00 H new ATOM 0 HA VAL A 109 4.530 -4.065 0.160 1.00 0.80 H new ATOM 0 HB VAL A 109 4.502 -1.746 0.540 1.00 0.93 H new ATOM 0 HG11 VAL A 109 2.929 -1.188 -1.402 1.00 2.45 H new ATOM 0 HG12 VAL A 109 3.888 -2.657 -1.703 1.00 2.45 H new ATOM 0 HG13 VAL A 109 2.186 -2.793 -1.202 1.00 2.45 H new ATOM 0 HG21 VAL A 109 2.411 -0.436 0.765 1.00 2.17 H new ATOM 0 HG22 VAL A 109 1.546 -1.941 1.157 1.00 2.17 H new ATOM 0 HG23 VAL A 109 2.839 -1.354 2.229 1.00 2.17 H new ATOM 1576 N MET A 110 5.638 -4.275 2.381 1.00 0.80 N ATOM 1577 CA MET A 110 6.291 -4.571 3.656 1.00 0.82 C ATOM 1578 C MET A 110 7.127 -3.373 4.133 1.00 0.70 C ATOM 1579 O MET A 110 8.051 -2.899 3.481 1.00 0.79 O ATOM 1580 CB MET A 110 7.125 -5.855 3.513 1.00 1.01 C ATOM 1581 CG MET A 110 7.499 -6.467 4.868 1.00 1.80 C ATOM 1582 SD MET A 110 6.191 -7.484 5.587 1.00 1.96 S ATOM 1583 CE MET A 110 6.858 -7.682 7.256 1.00 2.63 C ATOM 0 H MET A 110 6.216 -4.501 1.572 1.00 0.80 H new ATOM 0 HA MET A 110 5.538 -4.744 4.425 1.00 0.82 H new ATOM 0 HB2 MET A 110 6.564 -6.586 2.931 1.00 1.01 H new ATOM 0 HB3 MET A 110 8.035 -5.633 2.955 1.00 1.01 H new ATOM 0 HG2 MET A 110 8.396 -7.075 4.748 1.00 1.80 H new ATOM 0 HG3 MET A 110 7.748 -5.665 5.563 1.00 1.80 H new ATOM 0 HE1 MET A 110 6.176 -8.290 7.851 1.00 2.63 H new ATOM 0 HE2 MET A 110 7.830 -8.173 7.204 1.00 2.63 H new ATOM 0 HE3 MET A 110 6.971 -6.703 7.721 1.00 2.63 H new ATOM 1593 N LEU A 111 6.783 -2.870 5.309 1.00 0.68 N ATOM 1594 CA LEU A 111 7.379 -1.741 6.004 1.00 0.70 C ATOM 1595 C LEU A 111 8.484 -2.260 6.928 1.00 0.72 C ATOM 1596 O LEU A 111 8.314 -2.369 8.145 1.00 0.84 O ATOM 1597 CB LEU A 111 6.253 -1.019 6.764 1.00 0.83 C ATOM 1598 CG LEU A 111 5.478 0.023 5.942 1.00 1.05 C ATOM 1599 CD1 LEU A 111 4.644 -0.571 4.797 1.00 2.37 C ATOM 1600 CD2 LEU A 111 4.548 0.769 6.905 1.00 2.00 C ATOM 0 H LEU A 111 6.016 -3.276 5.845 1.00 0.68 H new ATOM 0 HA LEU A 111 7.842 -1.029 5.321 1.00 0.70 H new ATOM 0 HB2 LEU A 111 5.549 -1.764 7.134 1.00 0.83 H new ATOM 0 HB3 LEU A 111 6.682 -0.526 7.636 1.00 0.83 H new ATOM 0 HG LEU A 111 6.209 0.678 5.469 1.00 1.05 H new ATOM 0 HD11 LEU A 111 4.129 0.231 4.268 1.00 2.37 H new ATOM 0 HD12 LEU A 111 5.300 -1.100 4.105 1.00 2.37 H new ATOM 0 HD13 LEU A 111 3.910 -1.266 5.204 1.00 2.37 H new ATOM 0 HD21 LEU A 111 3.980 1.519 6.355 1.00 2.00 H new ATOM 0 HD22 LEU A 111 3.861 0.061 7.368 1.00 2.00 H new ATOM 0 HD23 LEU A 111 5.141 1.258 7.678 1.00 2.00 H new ATOM 1612 N MET A 112 9.620 -2.604 6.319 1.00 0.72 N ATOM 1613 CA MET A 112 10.793 -3.108 7.035 1.00 0.87 C ATOM 1614 C MET A 112 11.643 -1.971 7.596 1.00 1.05 C ATOM 1615 O MET A 112 11.831 -0.924 6.965 1.00 1.17 O ATOM 1616 CB MET A 112 11.640 -4.015 6.133 1.00 0.95 C ATOM 1617 CG MET A 112 10.870 -5.286 5.756 1.00 2.11 C ATOM 1618 SD MET A 112 11.853 -6.575 4.948 1.00 2.47 S ATOM 1619 CE MET A 112 12.957 -6.990 6.326 1.00 2.22 C ATOM 0 H MET A 112 9.753 -2.540 5.310 1.00 0.72 H new ATOM 0 HA MET A 112 10.429 -3.698 7.876 1.00 0.87 H new ATOM 0 HB2 MET A 112 11.922 -3.475 5.229 1.00 0.95 H new ATOM 0 HB3 MET A 112 12.564 -4.283 6.645 1.00 0.95 H new ATOM 0 HG2 MET A 112 10.426 -5.704 6.660 1.00 2.11 H new ATOM 0 HG3 MET A 112 10.048 -5.011 5.095 1.00 2.11 H new ATOM 0 HE1 MET A 112 13.361 -7.992 6.180 1.00 2.22 H new ATOM 0 HE2 MET A 112 13.775 -6.271 6.366 1.00 2.22 H new ATOM 0 HE3 MET A 112 12.399 -6.957 7.262 1.00 2.22 H new ATOM 1629 N GLY A 113 12.165 -2.182 8.805 1.00 1.17 N ATOM 1630 CA GLY A 113 12.972 -1.183 9.504 1.00 1.41 C ATOM 1631 C GLY A 113 12.114 -0.030 10.020 1.00 1.43 C ATOM 1632 O GLY A 113 12.395 1.133 9.727 1.00 1.90 O ATOM 0 H GLY A 113 12.040 -3.050 9.326 1.00 1.17 H new ATOM 0 HA2 GLY A 113 13.491 -1.653 10.339 1.00 1.41 H new ATOM 0 HA3 GLY A 113 13.737 -0.796 8.831 1.00 1.41 H new ATOM 1636 N LEU A 114 11.079 -0.338 10.802 1.00 1.17 N ATOM 1637 CA LEU A 114 10.263 0.601 11.566 1.00 1.23 C ATOM 1638 C LEU A 114 11.045 1.181 12.766 1.00 1.35 C ATOM 1639 O LEU A 114 12.226 0.898 12.970 1.00 2.20 O ATOM 1640 CB LEU A 114 8.969 -0.142 11.980 1.00 1.45 C ATOM 1641 CG LEU A 114 7.716 0.748 12.017 1.00 1.96 C ATOM 1642 CD1 LEU A 114 7.212 1.067 10.602 1.00 2.56 C ATOM 1643 CD2 LEU A 114 6.608 0.070 12.835 1.00 2.78 C ATOM 0 H LEU A 114 10.772 -1.303 10.925 1.00 1.17 H new ATOM 0 HA LEU A 114 9.997 1.468 10.962 1.00 1.23 H new ATOM 0 HB2 LEU A 114 8.797 -0.964 11.285 1.00 1.45 H new ATOM 0 HB3 LEU A 114 9.116 -0.584 12.965 1.00 1.45 H new ATOM 0 HG LEU A 114 7.988 1.689 12.495 1.00 1.96 H new ATOM 0 HD11 LEU A 114 6.325 1.698 10.665 1.00 2.56 H new ATOM 0 HD12 LEU A 114 7.991 1.590 10.048 1.00 2.56 H new ATOM 0 HD13 LEU A 114 6.961 0.139 10.087 1.00 2.56 H new ATOM 0 HD21 LEU A 114 5.726 0.710 12.854 1.00 2.78 H new ATOM 0 HD22 LEU A 114 6.353 -0.886 12.379 1.00 2.78 H new ATOM 0 HD23 LEU A 114 6.958 -0.096 13.854 1.00 2.78 H new ATOM 1655 N LYS A 115 10.400 2.039 13.559 1.00 1.21 N ATOM 1656 CA LYS A 115 11.065 2.887 14.573 1.00 1.56 C ATOM 1657 C LYS A 115 10.126 3.510 15.627 1.00 1.78 C ATOM 1658 O LYS A 115 10.488 3.567 16.800 1.00 2.37 O ATOM 1659 CB LYS A 115 11.902 3.973 13.861 1.00 1.79 C ATOM 1660 CG LYS A 115 11.116 4.719 12.772 1.00 2.27 C ATOM 1661 CD LYS A 115 11.999 5.632 11.926 1.00 2.66 C ATOM 1662 CE LYS A 115 11.104 6.096 10.773 1.00 3.46 C ATOM 1663 NZ LYS A 115 11.636 7.286 10.068 1.00 4.36 N ATOM 0 H LYS A 115 9.389 2.172 13.521 1.00 1.21 H new ATOM 0 HA LYS A 115 11.708 2.222 15.150 1.00 1.56 H new ATOM 0 HB2 LYS A 115 12.259 4.691 14.599 1.00 1.79 H new ATOM 0 HB3 LYS A 115 12.782 3.511 13.414 1.00 1.79 H new ATOM 0 HG2 LYS A 115 10.625 3.994 12.124 1.00 2.27 H new ATOM 0 HG3 LYS A 115 10.330 5.312 13.239 1.00 2.27 H new ATOM 0 HD2 LYS A 115 12.363 6.479 12.508 1.00 2.66 H new ATOM 0 HD3 LYS A 115 12.875 5.100 11.555 1.00 2.66 H new ATOM 0 HE2 LYS A 115 10.988 5.280 10.060 1.00 3.46 H new ATOM 0 HE3 LYS A 115 10.111 6.324 11.161 1.00 3.46 H new ATOM 0 HZ1 LYS A 115 11.215 7.344 9.119 1.00 4.36 H new ATOM 0 HZ2 LYS A 115 11.397 8.144 10.606 1.00 4.36 H new ATOM 0 HZ3 LYS A 115 12.670 7.207 9.984 1.00 4.36 H new ATOM 1677 N ARG A 116 8.906 3.919 15.252 1.00 1.58 N ATOM 1678 CA ARG A 116 7.864 4.330 16.217 1.00 1.83 C ATOM 1679 C ARG A 116 7.195 3.094 16.843 1.00 1.61 C ATOM 1680 O ARG A 116 6.838 2.187 16.086 1.00 1.56 O ATOM 1681 CB ARG A 116 6.767 5.178 15.545 1.00 2.25 C ATOM 1682 CG ARG A 116 7.168 6.638 15.298 1.00 3.22 C ATOM 1683 CD ARG A 116 7.206 7.503 16.576 1.00 3.12 C ATOM 1684 NE ARG A 116 8.557 8.021 16.876 1.00 3.62 N ATOM 1685 CZ ARG A 116 9.309 8.776 16.088 1.00 4.80 C ATOM 1686 NH1 ARG A 116 8.906 9.219 14.918 1.00 5.65 N ATOM 1687 NH2 ARG A 116 10.529 9.032 16.476 1.00 5.80 N ATOM 0 H ARG A 116 8.610 3.976 14.278 1.00 1.58 H new ATOM 0 HA ARG A 116 8.360 4.926 16.983 1.00 1.83 H new ATOM 0 HB2 ARG A 116 6.500 4.719 14.593 1.00 2.25 H new ATOM 0 HB3 ARG A 116 5.874 5.158 16.169 1.00 2.25 H new ATOM 0 HG2 ARG A 116 8.151 6.660 14.828 1.00 3.22 H new ATOM 0 HG3 ARG A 116 6.467 7.082 14.592 1.00 3.22 H new ATOM 0 HD2 ARG A 116 6.517 8.340 16.463 1.00 3.12 H new ATOM 0 HD3 ARG A 116 6.853 6.911 17.421 1.00 3.12 H new ATOM 0 HE ARG A 116 8.951 7.772 17.783 1.00 3.62 H new ATOM 0 HH11 ARG A 116 7.974 8.984 14.577 1.00 5.65 H new ATOM 0 HH12 ARG A 116 9.526 9.797 14.351 1.00 5.65 H new ATOM 0 HH21 ARG A 116 10.873 8.655 17.359 1.00 5.80 H new ATOM 0 HH22 ARG A 116 11.138 9.609 15.896 1.00 5.80 H new ATOM 1701 N PRO A 117 6.945 3.062 18.168 1.00 2.25 N ATOM 1702 CA PRO A 117 6.034 2.105 18.786 1.00 2.62 C ATOM 1703 C PRO A 117 4.591 2.589 18.577 1.00 2.27 C ATOM 1704 O PRO A 117 4.173 3.594 19.152 1.00 2.50 O ATOM 1705 CB PRO A 117 6.443 2.065 20.263 1.00 3.57 C ATOM 1706 CG PRO A 117 6.974 3.476 20.534 1.00 3.70 C ATOM 1707 CD PRO A 117 7.535 3.931 19.183 1.00 3.05 C ATOM 0 HA PRO A 117 6.085 1.104 18.358 1.00 2.62 H new ATOM 0 HB2 PRO A 117 5.596 1.826 20.906 1.00 3.57 H new ATOM 0 HB3 PRO A 117 7.206 1.308 20.446 1.00 3.57 H new ATOM 0 HG2 PRO A 117 6.182 4.140 20.881 1.00 3.70 H new ATOM 0 HG3 PRO A 117 7.745 3.470 21.304 1.00 3.70 H new ATOM 0 HD2 PRO A 117 7.284 4.974 18.992 1.00 3.05 H new ATOM 0 HD3 PRO A 117 8.622 3.857 19.171 1.00 3.05 H new ATOM 1715 N LEU A 118 3.825 1.884 17.740 1.00 1.95 N ATOM 1716 CA LEU A 118 2.465 2.287 17.364 1.00 1.71 C ATOM 1717 C LEU A 118 1.401 1.661 18.279 1.00 2.11 C ATOM 1718 O LEU A 118 1.623 0.620 18.903 1.00 2.80 O ATOM 1719 CB LEU A 118 2.207 1.944 15.880 1.00 1.69 C ATOM 1720 CG LEU A 118 3.214 2.537 14.870 1.00 1.59 C ATOM 1721 CD1 LEU A 118 2.911 2.012 13.460 1.00 2.05 C ATOM 1722 CD2 LEU A 118 3.193 4.073 14.867 1.00 2.08 C ATOM 0 H LEU A 118 4.131 1.015 17.302 1.00 1.95 H new ATOM 0 HA LEU A 118 2.385 3.366 17.494 1.00 1.71 H new ATOM 0 HB2 LEU A 118 2.208 0.859 15.772 1.00 1.69 H new ATOM 0 HB3 LEU A 118 1.208 2.290 15.615 1.00 1.69 H new ATOM 0 HG LEU A 118 4.211 2.221 15.178 1.00 1.59 H new ATOM 0 HD11 LEU A 118 3.625 2.434 12.753 1.00 2.05 H new ATOM 0 HD12 LEU A 118 2.992 0.925 13.451 1.00 2.05 H new ATOM 0 HD13 LEU A 118 1.901 2.303 13.173 1.00 2.05 H new ATOM 0 HD21 LEU A 118 3.917 4.445 14.142 1.00 2.08 H new ATOM 0 HD22 LEU A 118 2.196 4.423 14.597 1.00 2.08 H new ATOM 0 HD23 LEU A 118 3.451 4.442 15.860 1.00 2.08 H new ATOM 1734 N LYS A 119 0.209 2.264 18.322 1.00 1.74 N ATOM 1735 CA LYS A 119 -0.989 1.648 18.904 1.00 1.75 C ATOM 1736 C LYS A 119 -1.867 1.025 17.815 1.00 1.58 C ATOM 1737 O LYS A 119 -1.930 1.539 16.698 1.00 1.48 O ATOM 1738 CB LYS A 119 -1.762 2.593 19.863 1.00 1.74 C ATOM 1739 CG LYS A 119 -2.725 3.629 19.248 1.00 2.41 C ATOM 1740 CD LYS A 119 -3.907 3.936 20.185 1.00 3.26 C ATOM 1741 CE LYS A 119 -4.862 4.962 19.555 1.00 4.87 C ATOM 1742 NZ LYS A 119 -6.207 4.942 20.183 1.00 6.16 N ATOM 0 H LYS A 119 0.046 3.200 17.951 1.00 1.74 H new ATOM 0 HA LYS A 119 -0.655 0.833 19.546 1.00 1.75 H new ATOM 0 HB2 LYS A 119 -2.336 1.972 20.550 1.00 1.74 H new ATOM 0 HB3 LYS A 119 -1.028 3.134 20.460 1.00 1.74 H new ATOM 0 HG2 LYS A 119 -2.181 4.549 19.035 1.00 2.41 H new ATOM 0 HG3 LYS A 119 -3.103 3.254 18.297 1.00 2.41 H new ATOM 0 HD2 LYS A 119 -4.450 3.016 20.404 1.00 3.26 H new ATOM 0 HD3 LYS A 119 -3.532 4.319 21.134 1.00 3.26 H new ATOM 0 HE2 LYS A 119 -4.434 5.960 19.651 1.00 4.87 H new ATOM 0 HE3 LYS A 119 -4.959 4.758 18.489 1.00 4.87 H new ATOM 0 HZ1 LYS A 119 -6.815 5.651 19.725 1.00 6.16 H new ATOM 0 HZ2 LYS A 119 -6.629 3.998 20.070 1.00 6.16 H new ATOM 0 HZ3 LYS A 119 -6.121 5.163 21.196 1.00 6.16 H new ATOM 1756 N VAL A 120 -2.599 -0.033 18.169 1.00 1.94 N ATOM 1757 CA VAL A 120 -3.535 -0.811 17.335 1.00 2.27 C ATOM 1758 C VAL A 120 -4.282 -0.016 16.252 1.00 2.28 C ATOM 1759 O VAL A 120 -4.359 -0.505 15.135 1.00 3.07 O ATOM 1760 CB VAL A 120 -4.530 -1.588 18.235 1.00 2.33 C ATOM 1761 CG1 VAL A 120 -5.337 -0.699 19.200 1.00 2.38 C ATOM 1762 CG2 VAL A 120 -5.500 -2.453 17.414 1.00 2.65 C ATOM 0 H VAL A 120 -2.554 -0.402 19.119 1.00 1.94 H new ATOM 0 HA VAL A 120 -2.907 -1.503 16.773 1.00 2.27 H new ATOM 0 HB VAL A 120 -3.892 -2.230 18.842 1.00 2.33 H new ATOM 0 HG11 VAL A 120 -6.008 -1.321 19.792 1.00 2.38 H new ATOM 0 HG12 VAL A 120 -4.654 -0.169 19.863 1.00 2.38 H new ATOM 0 HG13 VAL A 120 -5.921 0.022 18.628 1.00 2.38 H new ATOM 0 HG21 VAL A 120 -6.178 -2.978 18.087 1.00 2.65 H new ATOM 0 HG22 VAL A 120 -6.076 -1.816 16.743 1.00 2.65 H new ATOM 0 HG23 VAL A 120 -4.935 -3.179 16.829 1.00 2.65 H new ATOM 1772 N GLY A 121 -4.796 1.175 16.579 1.00 1.84 N ATOM 1773 CA GLY A 121 -5.580 2.101 15.757 1.00 2.08 C ATOM 1774 C GLY A 121 -4.999 3.517 15.695 1.00 1.84 C ATOM 1775 O GLY A 121 -5.747 4.484 15.765 1.00 1.98 O ATOM 0 H GLY A 121 -4.659 1.550 17.518 1.00 1.84 H new ATOM 0 HA2 GLY A 121 -5.651 1.703 14.745 1.00 2.08 H new ATOM 0 HA3 GLY A 121 -6.595 2.152 16.151 1.00 2.08 H new ATOM 1779 N GLU A 122 -3.674 3.675 15.626 1.00 1.63 N ATOM 1780 CA GLU A 122 -3.019 4.992 15.521 1.00 1.41 C ATOM 1781 C GLU A 122 -3.176 5.608 14.116 1.00 1.26 C ATOM 1782 O GLU A 122 -3.419 4.889 13.149 1.00 1.25 O ATOM 1783 CB GLU A 122 -1.543 4.847 15.927 1.00 1.30 C ATOM 1784 CG GLU A 122 -0.818 6.185 16.108 1.00 1.18 C ATOM 1785 CD GLU A 122 0.531 6.068 16.814 1.00 1.45 C ATOM 1786 OE1 GLU A 122 0.766 5.039 17.498 1.00 2.19 O ATOM 1787 OE2 GLU A 122 1.322 7.023 16.703 1.00 2.21 O ATOM 0 H GLU A 122 -3.019 2.893 15.641 1.00 1.63 H new ATOM 0 HA GLU A 122 -3.509 5.688 16.202 1.00 1.41 H new ATOM 0 HB2 GLU A 122 -1.486 4.284 16.859 1.00 1.30 H new ATOM 0 HB3 GLU A 122 -1.023 4.262 15.169 1.00 1.30 H new ATOM 0 HG2 GLU A 122 -0.666 6.640 15.129 1.00 1.18 H new ATOM 0 HG3 GLU A 122 -1.458 6.859 16.677 1.00 1.18 H new ATOM 1794 N THR A 123 -3.013 6.931 13.979 1.00 1.40 N ATOM 1795 CA THR A 123 -2.920 7.638 12.689 1.00 1.56 C ATOM 1796 C THR A 123 -1.452 7.816 12.294 1.00 1.28 C ATOM 1797 O THR A 123 -0.641 8.206 13.125 1.00 1.36 O ATOM 1798 CB THR A 123 -3.705 8.955 12.746 1.00 2.16 C ATOM 1799 OG1 THR A 123 -3.650 9.555 11.480 1.00 2.70 O ATOM 1800 CG2 THR A 123 -3.220 9.975 13.782 1.00 3.30 C ATOM 0 H THR A 123 -2.940 7.557 14.781 1.00 1.40 H new ATOM 0 HA THR A 123 -3.382 7.042 11.902 1.00 1.56 H new ATOM 0 HB THR A 123 -4.714 8.681 13.053 1.00 2.16 H new ATOM 0 HG1 THR A 123 -4.148 10.399 11.496 1.00 2.70 H new ATOM 0 HG21 THR A 123 -3.845 10.867 13.735 1.00 3.30 H new ATOM 0 HG22 THR A 123 -3.283 9.539 14.779 1.00 3.30 H new ATOM 0 HG23 THR A 123 -2.186 10.246 13.569 1.00 3.30 H new ATOM 1808 N VAL A 124 -1.115 7.518 11.039 1.00 1.09 N ATOM 1809 CA VAL A 124 0.251 7.411 10.504 1.00 0.97 C ATOM 1810 C VAL A 124 0.321 7.970 9.076 1.00 0.92 C ATOM 1811 O VAL A 124 -0.700 8.129 8.417 1.00 1.06 O ATOM 1812 CB VAL A 124 0.735 5.945 10.526 1.00 1.21 C ATOM 1813 CG1 VAL A 124 1.066 5.471 11.949 1.00 3.02 C ATOM 1814 CG2 VAL A 124 -0.233 4.956 9.858 1.00 2.42 C ATOM 0 H VAL A 124 -1.822 7.334 10.327 1.00 1.09 H new ATOM 0 HA VAL A 124 0.908 8.003 11.141 1.00 0.97 H new ATOM 0 HB VAL A 124 1.646 5.948 9.928 1.00 1.21 H new ATOM 0 HG11 VAL A 124 1.402 4.435 11.918 1.00 3.02 H new ATOM 0 HG12 VAL A 124 1.855 6.096 12.367 1.00 3.02 H new ATOM 0 HG13 VAL A 124 0.176 5.545 12.573 1.00 3.02 H new ATOM 0 HG21 VAL A 124 0.179 3.949 9.915 1.00 2.42 H new ATOM 0 HG22 VAL A 124 -1.194 4.984 10.372 1.00 2.42 H new ATOM 0 HG23 VAL A 124 -0.372 5.232 8.813 1.00 2.42 H new ATOM 1824 N ASN A 125 1.526 8.301 8.589 1.00 0.94 N ATOM 1825 CA ASN A 125 1.715 8.957 7.283 1.00 1.10 C ATOM 1826 C ASN A 125 2.004 7.958 6.134 1.00 1.17 C ATOM 1827 O ASN A 125 2.946 7.152 6.198 1.00 1.20 O ATOM 1828 CB ASN A 125 2.817 10.027 7.376 1.00 1.26 C ATOM 1829 CG ASN A 125 2.272 11.384 7.829 1.00 1.84 C ATOM 1830 OD1 ASN A 125 2.362 12.374 7.106 1.00 3.14 O ATOM 1831 ND2 ASN A 125 1.660 11.478 9.007 1.00 1.66 N ATOM 0 H ASN A 125 2.398 8.122 9.088 1.00 0.94 H new ATOM 0 HA ASN A 125 0.770 9.438 7.032 1.00 1.10 H new ATOM 0 HB2 ASN A 125 3.585 9.695 8.075 1.00 1.26 H new ATOM 0 HB3 ASN A 125 3.297 10.137 6.403 1.00 1.26 H new ATOM 0 HD21 ASN A 125 1.267 12.370 9.308 1.00 1.66 H new ATOM 0 HD22 ASN A 125 1.584 10.658 9.609 1.00 1.66 H new ATOM 1838 N ILE A 126 1.212 8.067 5.059 1.00 1.30 N ATOM 1839 CA ILE A 126 1.427 7.421 3.759 1.00 1.23 C ATOM 1840 C ILE A 126 1.748 8.486 2.702 1.00 1.15 C ATOM 1841 O ILE A 126 1.159 9.573 2.678 1.00 1.27 O ATOM 1842 CB ILE A 126 0.191 6.565 3.385 1.00 1.28 C ATOM 1843 CG1 ILE A 126 0.163 5.225 4.159 1.00 1.77 C ATOM 1844 CG2 ILE A 126 0.049 6.318 1.872 1.00 1.62 C ATOM 1845 CD1 ILE A 126 1.259 4.209 3.805 1.00 2.07 C ATOM 0 H ILE A 126 0.365 8.635 5.074 1.00 1.30 H new ATOM 0 HA ILE A 126 2.281 6.745 3.811 1.00 1.23 H new ATOM 0 HB ILE A 126 -0.671 7.159 3.688 1.00 1.28 H new ATOM 0 HG12 ILE A 126 0.232 5.444 5.224 1.00 1.77 H new ATOM 0 HG13 ILE A 126 -0.806 4.754 3.992 1.00 1.77 H new ATOM 0 HG21 ILE A 126 -0.837 5.712 1.684 1.00 1.62 H new ATOM 0 HG22 ILE A 126 -0.048 7.273 1.355 1.00 1.62 H new ATOM 0 HG23 ILE A 126 0.931 5.794 1.505 1.00 1.62 H new ATOM 0 HD11 ILE A 126 1.134 3.313 4.412 1.00 2.07 H new ATOM 0 HD12 ILE A 126 1.184 3.946 2.750 1.00 2.07 H new ATOM 0 HD13 ILE A 126 2.238 4.647 4.001 1.00 2.07 H new ATOM 1857 N THR A 127 2.650 8.131 1.789 1.00 1.06 N ATOM 1858 CA THR A 127 3.096 8.950 0.666 1.00 1.05 C ATOM 1859 C THR A 127 2.884 8.111 -0.597 1.00 0.84 C ATOM 1860 O THR A 127 3.563 7.103 -0.770 1.00 0.93 O ATOM 1861 CB THR A 127 4.566 9.327 0.874 1.00 1.22 C ATOM 1862 OG1 THR A 127 4.742 9.882 2.157 1.00 1.84 O ATOM 1863 CG2 THR A 127 5.009 10.359 -0.153 1.00 1.48 C ATOM 0 H THR A 127 3.111 7.221 1.814 1.00 1.06 H new ATOM 0 HA THR A 127 2.539 9.883 0.579 1.00 1.05 H new ATOM 0 HB THR A 127 5.162 8.421 0.764 1.00 1.22 H new ATOM 0 HG1 THR A 127 5.684 10.119 2.284 1.00 1.84 H new ATOM 0 HG21 THR A 127 6.056 10.612 0.014 1.00 1.48 H new ATOM 0 HG22 THR A 127 4.890 9.949 -1.156 1.00 1.48 H new ATOM 0 HG23 THR A 127 4.399 11.257 -0.053 1.00 1.48 H new ATOM 1871 N LEU A 128 1.899 8.472 -1.432 1.00 0.88 N ATOM 1872 CA LEU A 128 1.688 7.893 -2.763 1.00 0.81 C ATOM 1873 C LEU A 128 2.355 8.742 -3.841 1.00 0.95 C ATOM 1874 O LEU A 128 2.800 9.842 -3.547 1.00 1.65 O ATOM 1875 CB LEU A 128 0.207 7.575 -3.043 1.00 1.15 C ATOM 1876 CG LEU A 128 -0.801 8.742 -3.154 1.00 1.87 C ATOM 1877 CD1 LEU A 128 -0.703 9.431 -4.528 1.00 3.62 C ATOM 1878 CD2 LEU A 128 -2.221 8.172 -3.011 1.00 2.35 C ATOM 0 H LEU A 128 1.214 9.189 -1.194 1.00 0.88 H new ATOM 0 HA LEU A 128 2.184 6.923 -2.788 1.00 0.81 H new ATOM 0 HB2 LEU A 128 0.162 7.011 -3.975 1.00 1.15 H new ATOM 0 HB3 LEU A 128 -0.143 6.912 -2.252 1.00 1.15 H new ATOM 0 HG LEU A 128 -0.577 9.470 -2.374 1.00 1.87 H new ATOM 0 HD11 LEU A 128 -1.423 10.248 -4.578 1.00 3.62 H new ATOM 0 HD12 LEU A 128 0.304 9.826 -4.666 1.00 3.62 H new ATOM 0 HD13 LEU A 128 -0.920 8.708 -5.314 1.00 3.62 H new ATOM 0 HD21 LEU A 128 -2.947 8.981 -3.087 1.00 2.35 H new ATOM 0 HD22 LEU A 128 -2.403 7.446 -3.803 1.00 2.35 H new ATOM 0 HD23 LEU A 128 -2.321 7.684 -2.041 1.00 2.35 H new ATOM 1890 N LYS A 129 2.477 8.223 -5.063 1.00 1.10 N ATOM 1891 CA LYS A 129 3.187 8.901 -6.167 1.00 1.19 C ATOM 1892 C LYS A 129 2.533 8.571 -7.510 1.00 1.10 C ATOM 1893 O LYS A 129 2.052 7.450 -7.717 1.00 1.22 O ATOM 1894 CB LYS A 129 4.686 8.498 -6.233 1.00 1.58 C ATOM 1895 CG LYS A 129 5.506 8.818 -4.956 1.00 2.63 C ATOM 1896 CD LYS A 129 6.896 8.176 -4.990 1.00 3.44 C ATOM 1897 CE LYS A 129 7.838 8.642 -6.101 1.00 2.91 C ATOM 1898 NZ LYS A 129 8.288 10.035 -5.879 1.00 3.20 N ATOM 0 H LYS A 129 2.087 7.317 -5.324 1.00 1.10 H new ATOM 0 HA LYS A 129 3.122 9.971 -5.969 1.00 1.19 H new ATOM 0 HB2 LYS A 129 4.751 7.428 -6.430 1.00 1.58 H new ATOM 0 HB3 LYS A 129 5.147 9.007 -7.080 1.00 1.58 H new ATOM 0 HG2 LYS A 129 5.608 9.898 -4.852 1.00 2.63 H new ATOM 0 HG3 LYS A 129 4.964 8.463 -4.079 1.00 2.63 H new ATOM 0 HD2 LYS A 129 7.381 8.362 -4.032 1.00 3.44 H new ATOM 0 HD3 LYS A 129 6.771 7.097 -5.080 1.00 3.44 H new ATOM 0 HE2 LYS A 129 8.704 7.981 -6.147 1.00 2.91 H new ATOM 0 HE3 LYS A 129 7.331 8.571 -7.063 1.00 2.91 H new ATOM 0 HZ1 LYS A 129 8.708 10.408 -6.754 1.00 3.20 H new ATOM 0 HZ2 LYS A 129 7.475 10.624 -5.608 1.00 3.20 H new ATOM 0 HZ3 LYS A 129 8.998 10.054 -5.119 1.00 3.20 H new ATOM 1912 N ALA A 130 2.561 9.523 -8.443 1.00 1.35 N ATOM 1913 CA ALA A 130 2.206 9.298 -9.836 1.00 1.46 C ATOM 1914 C ALA A 130 3.314 8.562 -10.610 1.00 1.82 C ATOM 1915 O ALA A 130 4.477 8.673 -10.236 1.00 2.34 O ATOM 1916 CB ALA A 130 1.826 10.637 -10.466 1.00 1.97 C ATOM 0 H ALA A 130 2.836 10.485 -8.245 1.00 1.35 H new ATOM 0 HA ALA A 130 1.345 8.632 -9.887 1.00 1.46 H new ATOM 0 HB1 ALA A 130 1.557 10.484 -11.511 1.00 1.97 H new ATOM 0 HB2 ALA A 130 0.977 11.063 -9.931 1.00 1.97 H new ATOM 0 HB3 ALA A 130 2.673 11.321 -10.405 1.00 1.97 H new ATOM 1922 N THR A 131 2.958 7.840 -11.688 1.00 1.81 N ATOM 1923 CA THR A 131 3.924 7.293 -12.674 1.00 2.21 C ATOM 1924 C THR A 131 4.495 8.371 -13.601 1.00 2.51 C ATOM 1925 O THR A 131 5.598 8.214 -14.112 1.00 3.05 O ATOM 1926 CB THR A 131 3.294 6.152 -13.486 1.00 2.39 C ATOM 1927 OG1 THR A 131 4.236 5.658 -14.401 1.00 2.92 O ATOM 1928 CG2 THR A 131 2.066 6.558 -14.301 1.00 2.54 C ATOM 0 H THR A 131 1.987 7.615 -11.906 1.00 1.81 H new ATOM 0 HA THR A 131 4.761 6.893 -12.102 1.00 2.21 H new ATOM 0 HB THR A 131 2.981 5.414 -12.748 1.00 2.39 H new ATOM 0 HG1 THR A 131 3.837 4.928 -14.920 1.00 2.92 H new ATOM 0 HG21 THR A 131 1.686 5.692 -14.843 1.00 2.54 H new ATOM 0 HG22 THR A 131 1.293 6.935 -13.631 1.00 2.54 H new ATOM 0 HG23 THR A 131 2.342 7.337 -15.011 1.00 2.54 H new ATOM 1936 N ASP A 132 3.723 9.439 -13.789 1.00 2.36 N ATOM 1937 CA ASP A 132 4.018 10.709 -14.435 1.00 2.67 C ATOM 1938 C ASP A 132 3.090 11.710 -13.723 1.00 2.81 C ATOM 1939 O ASP A 132 1.875 11.494 -13.691 1.00 3.63 O ATOM 1940 CB ASP A 132 3.676 10.662 -15.935 1.00 3.05 C ATOM 1941 CG ASP A 132 4.511 9.662 -16.739 1.00 4.04 C ATOM 1942 OD1 ASP A 132 5.742 9.895 -16.866 1.00 4.71 O ATOM 1943 OD2 ASP A 132 3.881 8.736 -17.310 1.00 4.91 O ATOM 0 H ASP A 132 2.761 9.429 -13.450 1.00 2.36 H new ATOM 0 HA ASP A 132 5.074 10.969 -14.365 1.00 2.67 H new ATOM 0 HB2 ASP A 132 2.621 10.411 -16.048 1.00 3.05 H new ATOM 0 HB3 ASP A 132 3.814 11.657 -16.359 1.00 3.05 H new ATOM 1948 N GLY A 133 3.652 12.735 -13.077 1.00 2.75 N ATOM 1949 CA GLY A 133 2.918 13.674 -12.216 1.00 3.03 C ATOM 1950 C GLY A 133 3.750 14.152 -11.023 1.00 3.01 C ATOM 1951 O GLY A 133 4.669 14.953 -11.197 1.00 3.84 O ATOM 0 H GLY A 133 4.649 12.942 -13.137 1.00 2.75 H new ATOM 0 HA2 GLY A 133 2.608 14.536 -12.807 1.00 3.03 H new ATOM 0 HA3 GLY A 133 2.010 13.193 -11.852 1.00 3.03 H new ATOM 1955 N ARG A 134 3.419 13.705 -9.800 1.00 2.64 N ATOM 1956 CA ARG A 134 4.041 14.140 -8.548 1.00 3.00 C ATOM 1957 C ARG A 134 3.748 13.170 -7.385 1.00 3.16 C ATOM 1958 O ARG A 134 3.011 12.189 -7.541 1.00 4.08 O ATOM 1959 CB ARG A 134 3.656 15.615 -8.252 1.00 3.43 C ATOM 1960 CG ARG A 134 4.889 16.522 -8.062 1.00 4.75 C ATOM 1961 CD ARG A 134 4.574 17.983 -8.428 1.00 5.54 C ATOM 1962 NE ARG A 134 5.734 18.877 -8.245 1.00 6.82 N ATOM 1963 CZ ARG A 134 6.864 18.887 -8.949 1.00 8.03 C ATOM 1964 NH1 ARG A 134 7.101 18.040 -9.927 1.00 8.48 N ATOM 1965 NH2 ARG A 134 7.815 19.743 -8.650 1.00 9.23 N ATOM 0 H ARG A 134 2.687 13.009 -9.656 1.00 2.64 H new ATOM 0 HA ARG A 134 5.125 14.110 -8.660 1.00 3.00 H new ATOM 0 HB2 ARG A 134 3.049 16.000 -9.071 1.00 3.43 H new ATOM 0 HB3 ARG A 134 3.040 15.653 -7.354 1.00 3.43 H new ATOM 0 HG2 ARG A 134 5.225 16.469 -7.026 1.00 4.75 H new ATOM 0 HG3 ARG A 134 5.709 16.159 -8.682 1.00 4.75 H new ATOM 0 HD2 ARG A 134 4.244 18.031 -9.466 1.00 5.54 H new ATOM 0 HD3 ARG A 134 3.746 18.337 -7.813 1.00 5.54 H new ATOM 0 HE ARG A 134 5.662 19.564 -7.495 1.00 6.82 H new ATOM 0 HH11 ARG A 134 6.404 17.338 -10.174 1.00 8.48 H new ATOM 0 HH12 ARG A 134 7.982 18.086 -10.439 1.00 8.48 H new ATOM 0 HH21 ARG A 134 7.687 20.399 -7.879 1.00 9.23 H new ATOM 0 HH22 ARG A 134 8.681 19.752 -9.189 1.00 9.23 H new ATOM 1979 N THR A 135 4.389 13.448 -6.248 1.00 3.13 N ATOM 1980 CA THR A 135 4.248 12.793 -4.933 1.00 3.26 C ATOM 1981 C THR A 135 3.067 13.382 -4.162 1.00 1.80 C ATOM 1982 O THR A 135 2.682 14.526 -4.417 1.00 2.45 O ATOM 1983 CB THR A 135 5.534 12.974 -4.128 1.00 4.98 C ATOM 1984 OG1 THR A 135 6.631 12.534 -4.903 1.00 6.36 O ATOM 1985 CG2 THR A 135 5.584 12.208 -2.810 1.00 5.75 C ATOM 0 H THR A 135 5.079 14.199 -6.214 1.00 3.13 H new ATOM 0 HA THR A 135 4.064 11.730 -5.090 1.00 3.26 H new ATOM 0 HB THR A 135 5.571 14.036 -3.887 1.00 4.98 H new ATOM 0 HG1 THR A 135 7.459 12.649 -4.392 1.00 6.36 H new ATOM 0 HG21 THR A 135 6.535 12.401 -2.313 1.00 5.75 H new ATOM 0 HG22 THR A 135 4.766 12.535 -2.168 1.00 5.75 H new ATOM 0 HG23 THR A 135 5.487 11.140 -3.006 1.00 5.75 H new ATOM 1993 N LEU A 136 2.510 12.609 -3.216 1.00 1.29 N ATOM 1994 CA LEU A 136 1.377 13.010 -2.406 1.00 1.87 C ATOM 1995 C LEU A 136 1.374 12.436 -0.988 1.00 1.48 C ATOM 1996 O LEU A 136 1.361 11.223 -0.808 1.00 1.23 O ATOM 1997 CB LEU A 136 0.108 12.635 -3.180 1.00 3.81 C ATOM 1998 CG LEU A 136 -1.116 13.440 -2.699 1.00 4.76 C ATOM 1999 CD1 LEU A 136 -1.102 14.865 -3.269 1.00 5.65 C ATOM 2000 CD2 LEU A 136 -2.418 12.751 -3.145 1.00 5.81 C ATOM 0 H LEU A 136 2.850 11.672 -2.998 1.00 1.29 H new ATOM 0 HA LEU A 136 1.435 14.086 -2.242 1.00 1.87 H new ATOM 0 HB2 LEU A 136 0.265 12.814 -4.244 1.00 3.81 H new ATOM 0 HB3 LEU A 136 -0.088 11.569 -3.061 1.00 3.81 H new ATOM 0 HG LEU A 136 -1.068 13.486 -1.611 1.00 4.76 H new ATOM 0 HD11 LEU A 136 -1.977 15.408 -2.912 1.00 5.65 H new ATOM 0 HD12 LEU A 136 -0.198 15.379 -2.942 1.00 5.65 H new ATOM 0 HD13 LEU A 136 -1.121 14.821 -4.358 1.00 5.65 H new ATOM 0 HD21 LEU A 136 -3.274 13.331 -2.798 1.00 5.81 H new ATOM 0 HD22 LEU A 136 -2.441 12.686 -4.233 1.00 5.81 H new ATOM 0 HD23 LEU A 136 -2.463 11.748 -2.720 1.00 5.81 H new ATOM 2012 N ASN A 137 1.312 13.320 0.014 1.00 1.75 N ATOM 2013 CA ASN A 137 1.061 13.036 1.419 1.00 1.78 C ATOM 2014 C ASN A 137 -0.425 12.715 1.604 1.00 1.90 C ATOM 2015 O ASN A 137 -1.296 13.512 1.271 1.00 2.38 O ATOM 2016 CB ASN A 137 1.481 14.256 2.270 1.00 2.11 C ATOM 2017 CG ASN A 137 0.823 15.581 1.857 1.00 3.08 C ATOM 2018 OD1 ASN A 137 1.205 16.187 0.869 1.00 4.22 O ATOM 2019 ND2 ASN A 137 -0.170 16.057 2.582 1.00 3.69 N ATOM 0 H ASN A 137 1.446 14.317 -0.153 1.00 1.75 H new ATOM 0 HA ASN A 137 1.645 12.176 1.746 1.00 1.78 H new ATOM 0 HB2 ASN A 137 1.239 14.055 3.314 1.00 2.11 H new ATOM 0 HB3 ASN A 137 2.563 14.369 2.210 1.00 2.11 H new ATOM 0 HD21 ASN A 137 -0.620 16.933 2.317 1.00 3.69 H new ATOM 0 HD22 ASN A 137 -0.488 15.549 3.407 1.00 3.69 H new ATOM 2026 N VAL A 138 -0.704 11.548 2.156 1.00 1.60 N ATOM 2027 CA VAL A 138 -2.059 11.048 2.447 1.00 1.73 C ATOM 2028 C VAL A 138 -2.087 10.427 3.848 1.00 1.52 C ATOM 2029 O VAL A 138 -1.083 9.909 4.341 1.00 1.40 O ATOM 2030 CB VAL A 138 -2.538 10.045 1.363 1.00 1.99 C ATOM 2031 CG1 VAL A 138 -4.012 9.638 1.546 1.00 2.18 C ATOM 2032 CG2 VAL A 138 -2.411 10.628 -0.059 1.00 2.23 C ATOM 0 H VAL A 138 0.025 10.889 2.428 1.00 1.60 H new ATOM 0 HA VAL A 138 -2.756 11.885 2.425 1.00 1.73 H new ATOM 0 HB VAL A 138 -1.891 9.176 1.483 1.00 1.99 H new ATOM 0 HG11 VAL A 138 -4.296 8.936 0.762 1.00 2.18 H new ATOM 0 HG12 VAL A 138 -4.141 9.166 2.520 1.00 2.18 H new ATOM 0 HG13 VAL A 138 -4.644 10.524 1.486 1.00 2.18 H new ATOM 0 HG21 VAL A 138 -2.757 9.893 -0.786 1.00 2.23 H new ATOM 0 HG22 VAL A 138 -3.018 11.530 -0.138 1.00 2.23 H new ATOM 0 HG23 VAL A 138 -1.368 10.874 -0.260 1.00 2.23 H new ATOM 2042 N ALA A 139 -3.243 10.509 4.509 1.00 1.69 N ATOM 2043 CA ALA A 139 -3.497 9.862 5.795 1.00 1.65 C ATOM 2044 C ALA A 139 -3.435 8.321 5.703 1.00 1.43 C ATOM 2045 O ALA A 139 -3.374 7.749 4.616 1.00 1.87 O ATOM 2046 CB ALA A 139 -4.860 10.349 6.308 1.00 2.36 C ATOM 0 H ALA A 139 -4.042 11.037 4.158 1.00 1.69 H new ATOM 0 HA ALA A 139 -2.713 10.139 6.500 1.00 1.65 H new ATOM 0 HB1 ALA A 139 -5.076 9.881 7.269 1.00 2.36 H new ATOM 0 HB2 ALA A 139 -4.837 11.432 6.429 1.00 2.36 H new ATOM 0 HB3 ALA A 139 -5.636 10.080 5.591 1.00 2.36 H new ATOM 2052 N ALA A 140 -3.497 7.666 6.864 1.00 1.57 N ATOM 2053 CA ALA A 140 -3.563 6.217 7.060 1.00 1.44 C ATOM 2054 C ALA A 140 -3.695 5.900 8.548 1.00 1.29 C ATOM 2055 O ALA A 140 -3.204 6.655 9.399 1.00 1.23 O ATOM 2056 CB ALA A 140 -2.323 5.528 6.470 1.00 1.34 C ATOM 0 H ALA A 140 -3.503 8.168 7.752 1.00 1.57 H new ATOM 0 HA ALA A 140 -4.440 5.835 6.537 1.00 1.44 H new ATOM 0 HB1 ALA A 140 -2.395 4.452 6.628 1.00 1.34 H new ATOM 0 HB2 ALA A 140 -2.266 5.735 5.401 1.00 1.34 H new ATOM 0 HB3 ALA A 140 -1.427 5.908 6.962 1.00 1.34 H new ATOM 2062 N THR A 141 -4.326 4.762 8.833 1.00 1.32 N ATOM 2063 CA THR A 141 -4.496 4.243 10.188 1.00 1.27 C ATOM 2064 C THR A 141 -3.601 3.020 10.385 1.00 1.05 C ATOM 2065 O THR A 141 -3.136 2.388 9.439 1.00 1.03 O ATOM 2066 CB THR A 141 -5.967 3.899 10.478 1.00 1.69 C ATOM 2067 OG1 THR A 141 -6.856 4.724 9.756 1.00 1.98 O ATOM 2068 CG2 THR A 141 -6.297 4.093 11.963 1.00 1.77 C ATOM 0 H THR A 141 -4.740 4.165 8.117 1.00 1.32 H new ATOM 0 HA THR A 141 -4.201 5.018 10.895 1.00 1.27 H new ATOM 0 HB THR A 141 -6.091 2.858 10.179 1.00 1.69 H new ATOM 0 HG1 THR A 141 -7.780 4.473 9.966 1.00 1.98 H new ATOM 0 HG21 THR A 141 -7.343 3.843 12.139 1.00 1.77 H new ATOM 0 HG22 THR A 141 -5.662 3.443 12.565 1.00 1.77 H new ATOM 0 HG23 THR A 141 -6.121 5.132 12.242 1.00 1.77 H new ATOM 2076 N VAL A 142 -3.417 2.620 11.629 1.00 1.09 N ATOM 2077 CA VAL A 142 -3.040 1.259 11.994 1.00 1.06 C ATOM 2078 C VAL A 142 -4.324 0.441 12.227 1.00 1.17 C ATOM 2079 O VAL A 142 -5.361 0.978 12.606 1.00 1.30 O ATOM 2080 CB VAL A 142 -2.115 1.272 13.236 1.00 1.16 C ATOM 2081 CG1 VAL A 142 -1.420 -0.078 13.447 1.00 1.56 C ATOM 2082 CG2 VAL A 142 -1.001 2.332 13.168 1.00 1.42 C ATOM 0 H VAL A 142 -3.526 3.240 12.432 1.00 1.09 H new ATOM 0 HA VAL A 142 -2.474 0.790 11.190 1.00 1.06 H new ATOM 0 HB VAL A 142 -2.789 1.505 14.060 1.00 1.16 H new ATOM 0 HG11 VAL A 142 -0.781 -0.024 14.328 1.00 1.56 H new ATOM 0 HG12 VAL A 142 -2.171 -0.855 13.590 1.00 1.56 H new ATOM 0 HG13 VAL A 142 -0.813 -0.315 12.573 1.00 1.56 H new ATOM 0 HG21 VAL A 142 -0.394 2.281 14.072 1.00 1.42 H new ATOM 0 HG22 VAL A 142 -0.372 2.144 12.298 1.00 1.42 H new ATOM 0 HG23 VAL A 142 -1.447 3.323 13.086 1.00 1.42 H new ATOM 2092 N LYS A 143 -4.274 -0.869 11.992 1.00 1.33 N ATOM 2093 CA LYS A 143 -5.237 -1.852 12.502 1.00 1.63 C ATOM 2094 C LYS A 143 -4.511 -3.201 12.645 1.00 1.93 C ATOM 2095 O LYS A 143 -3.914 -3.672 11.676 1.00 2.53 O ATOM 2096 CB LYS A 143 -6.423 -1.943 11.514 1.00 1.96 C ATOM 2097 CG LYS A 143 -7.638 -2.768 11.981 1.00 2.50 C ATOM 2098 CD LYS A 143 -8.700 -2.783 10.860 1.00 2.99 C ATOM 2099 CE LYS A 143 -10.084 -3.293 11.294 1.00 3.47 C ATOM 2100 NZ LYS A 143 -10.137 -4.762 11.480 1.00 5.30 N ATOM 0 H LYS A 143 -3.540 -1.292 11.424 1.00 1.33 H new ATOM 0 HA LYS A 143 -5.631 -1.562 13.476 1.00 1.63 H new ATOM 0 HB2 LYS A 143 -6.762 -0.931 11.292 1.00 1.96 H new ATOM 0 HB3 LYS A 143 -6.058 -2.370 10.580 1.00 1.96 H new ATOM 0 HG2 LYS A 143 -7.331 -3.786 12.222 1.00 2.50 H new ATOM 0 HG3 LYS A 143 -8.057 -2.338 12.890 1.00 2.50 H new ATOM 0 HD2 LYS A 143 -8.807 -1.772 10.466 1.00 2.99 H new ATOM 0 HD3 LYS A 143 -8.338 -3.407 10.043 1.00 2.99 H new ATOM 0 HE2 LYS A 143 -10.367 -2.805 12.227 1.00 3.47 H new ATOM 0 HE3 LYS A 143 -10.821 -3.002 10.546 1.00 3.47 H new ATOM 0 HZ1 LYS A 143 -11.096 -5.041 11.772 1.00 5.30 H new ATOM 0 HZ2 LYS A 143 -9.897 -5.234 10.585 1.00 5.30 H new ATOM 0 HZ3 LYS A 143 -9.456 -5.044 12.214 1.00 5.30 H new ATOM 2114 N LYS A 144 -4.508 -3.825 13.833 1.00 2.00 N ATOM 2115 CA LYS A 144 -4.007 -5.205 14.014 1.00 2.30 C ATOM 2116 C LYS A 144 -4.517 -6.185 12.932 1.00 2.16 C ATOM 2117 O LYS A 144 -5.676 -6.119 12.534 1.00 2.56 O ATOM 2118 CB LYS A 144 -4.342 -5.703 15.437 1.00 2.97 C ATOM 2119 CG LYS A 144 -5.851 -5.780 15.749 1.00 3.38 C ATOM 2120 CD LYS A 144 -6.106 -6.122 17.227 1.00 4.59 C ATOM 2121 CE LYS A 144 -7.598 -6.169 17.613 1.00 5.38 C ATOM 2122 NZ LYS A 144 -8.343 -4.926 17.291 1.00 6.03 N ATOM 0 H LYS A 144 -4.849 -3.395 14.693 1.00 2.00 H new ATOM 0 HA LYS A 144 -2.924 -5.177 13.893 1.00 2.30 H new ATOM 0 HB2 LYS A 144 -3.904 -6.692 15.575 1.00 2.97 H new ATOM 0 HB3 LYS A 144 -3.867 -5.041 16.161 1.00 2.97 H new ATOM 0 HG2 LYS A 144 -6.322 -4.827 15.509 1.00 3.38 H new ATOM 0 HG3 LYS A 144 -6.316 -6.534 15.115 1.00 3.38 H new ATOM 0 HD2 LYS A 144 -5.654 -7.089 17.449 1.00 4.59 H new ATOM 0 HD3 LYS A 144 -5.603 -5.384 17.852 1.00 4.59 H new ATOM 0 HE2 LYS A 144 -8.070 -7.007 17.099 1.00 5.38 H new ATOM 0 HE3 LYS A 144 -7.680 -6.363 18.682 1.00 5.38 H new ATOM 0 HZ1 LYS A 144 -9.337 -5.032 17.579 1.00 6.03 H new ATOM 0 HZ2 LYS A 144 -7.919 -4.125 17.801 1.00 6.03 H new ATOM 0 HZ3 LYS A 144 -8.296 -4.748 16.267 1.00 6.03 H new ATOM 2136 N ASN A 145 -3.670 -7.118 12.477 1.00 2.50 N ATOM 2137 CA ASN A 145 -4.057 -8.135 11.483 1.00 2.97 C ATOM 2138 C ASN A 145 -2.967 -9.218 11.362 1.00 3.31 C ATOM 2139 O ASN A 145 -1.848 -8.905 10.961 1.00 4.58 O ATOM 2140 CB ASN A 145 -4.348 -7.461 10.111 1.00 3.83 C ATOM 2141 CG ASN A 145 -5.715 -7.805 9.512 1.00 4.38 C ATOM 2142 OD1 ASN A 145 -6.304 -8.841 9.797 1.00 4.43 O ATOM 2143 ND2 ASN A 145 -6.247 -6.962 8.640 1.00 5.52 N ATOM 0 H ASN A 145 -2.700 -7.191 12.785 1.00 2.50 H new ATOM 0 HA ASN A 145 -4.971 -8.626 11.817 1.00 2.97 H new ATOM 0 HB2 ASN A 145 -4.279 -6.380 10.230 1.00 3.83 H new ATOM 0 HB3 ASN A 145 -3.572 -7.754 9.404 1.00 3.83 H new ATOM 0 HD21 ASN A 145 -7.145 -7.176 8.207 1.00 5.52 H new ATOM 0 HD22 ASN A 145 -5.758 -6.099 8.401 1.00 5.52 H new ATOM 2150 N ILE A 146 -3.254 -10.479 11.726 1.00 3.01 N ATOM 2151 CA ILE A 146 -2.383 -11.677 11.628 1.00 3.54 C ATOM 2152 C ILE A 146 -1.213 -11.602 12.619 1.00 3.81 C ATOM 2153 O ILE A 146 -1.220 -12.297 13.624 1.00 4.50 O ATOM 2154 CB ILE A 146 -1.924 -11.983 10.169 1.00 3.90 C ATOM 2155 CG1 ILE A 146 -3.074 -12.372 9.204 1.00 4.31 C ATOM 2156 CG2 ILE A 146 -0.932 -13.164 10.151 1.00 5.31 C ATOM 2157 CD1 ILE A 146 -4.012 -11.233 8.786 1.00 4.31 C ATOM 0 H ILE A 146 -4.163 -10.711 12.125 1.00 3.01 H new ATOM 0 HA ILE A 146 -2.992 -12.533 11.918 1.00 3.54 H new ATOM 0 HB ILE A 146 -1.477 -11.050 9.826 1.00 3.90 H new ATOM 0 HG12 ILE A 146 -2.637 -12.805 8.304 1.00 4.31 H new ATOM 0 HG13 ILE A 146 -3.670 -13.153 9.676 1.00 4.31 H new ATOM 0 HG21 ILE A 146 -0.622 -13.364 9.125 1.00 5.31 H new ATOM 0 HG22 ILE A 146 -0.058 -12.914 10.752 1.00 5.31 H new ATOM 0 HG23 ILE A 146 -1.414 -14.050 10.563 1.00 5.31 H new ATOM 0 HD11 ILE A 146 -4.776 -11.620 8.112 1.00 4.31 H new ATOM 0 HD12 ILE A 146 -4.488 -10.811 9.671 1.00 4.31 H new ATOM 0 HD13 ILE A 146 -3.439 -10.458 8.278 1.00 4.31 H new ATOM 2169 N GLU A 147 -0.223 -10.760 12.345 1.00 3.80 N ATOM 2170 CA GLU A 147 1.127 -10.846 12.931 1.00 4.72 C ATOM 2171 C GLU A 147 1.264 -10.061 14.264 1.00 4.61 C ATOM 2172 O GLU A 147 2.361 -9.918 14.805 1.00 6.18 O ATOM 2173 CB GLU A 147 2.140 -10.381 11.860 1.00 5.80 C ATOM 2174 CG GLU A 147 3.527 -11.048 11.919 1.00 7.15 C ATOM 2175 CD GLU A 147 3.524 -12.550 11.591 1.00 7.84 C ATOM 2176 OE1 GLU A 147 2.779 -12.980 10.670 1.00 7.93 O ATOM 2177 OE2 GLU A 147 4.280 -13.289 12.268 1.00 8.78 O ATOM 0 H GLU A 147 -0.330 -9.979 11.697 1.00 3.80 H new ATOM 0 HA GLU A 147 1.333 -11.880 13.208 1.00 4.72 H new ATOM 0 HB2 GLU A 147 1.710 -10.565 10.875 1.00 5.80 H new ATOM 0 HB3 GLU A 147 2.271 -9.303 11.954 1.00 5.80 H new ATOM 0 HG2 GLU A 147 4.192 -10.538 11.222 1.00 7.15 H new ATOM 0 HG3 GLU A 147 3.942 -10.907 12.917 1.00 7.15 H new ATOM 2184 N GLY A 148 0.150 -9.523 14.781 1.00 3.35 N ATOM 2185 CA GLY A 148 0.103 -8.577 15.898 1.00 4.04 C ATOM 2186 C GLY A 148 -0.652 -9.106 17.116 1.00 3.97 C ATOM 2187 O GLY A 148 -1.882 -9.228 17.077 1.00 4.65 O ATOM 0 H GLY A 148 -0.776 -9.745 14.417 1.00 3.35 H new ATOM 0 HA2 GLY A 148 1.122 -8.326 16.193 1.00 4.04 H new ATOM 0 HA3 GLY A 148 -0.368 -7.654 15.562 1.00 4.04 H new ATOM 2191 N ARG A 149 0.088 -9.366 18.200 1.00 3.97 N ATOM 2192 CA ARG A 149 -0.406 -9.764 19.529 1.00 4.69 C ATOM 2193 C ARG A 149 0.661 -9.465 20.587 1.00 5.53 C ATOM 2194 O ARG A 149 1.857 -9.645 20.269 1.00 6.17 O ATOM 2195 CB ARG A 149 -0.831 -11.257 19.496 1.00 5.20 C ATOM 2196 CG ARG A 149 -2.087 -11.569 20.330 1.00 6.46 C ATOM 2197 CD ARG A 149 -1.834 -11.679 21.839 1.00 7.11 C ATOM 2198 NE ARG A 149 -3.093 -11.543 22.591 1.00 8.55 N ATOM 2199 CZ ARG A 149 -3.191 -11.096 23.828 1.00 9.44 C ATOM 2200 NH1 ARG A 149 -2.180 -11.012 24.646 1.00 9.35 N ATOM 2201 NH2 ARG A 149 -4.338 -10.680 24.273 1.00 10.83 N ATOM 2202 OXT ARG A 149 0.291 -9.051 21.715 1.00 6.26 O ATOM 0 H ARG A 149 1.106 -9.301 18.175 1.00 3.97 H new ATOM 0 HA ARG A 149 -1.289 -9.186 19.801 1.00 4.69 H new ATOM 0 HB2 ARG A 149 -1.012 -11.550 18.462 1.00 5.20 H new ATOM 0 HB3 ARG A 149 -0.005 -11.868 19.860 1.00 5.20 H new ATOM 0 HG2 ARG A 149 -2.828 -10.789 20.154 1.00 6.46 H new ATOM 0 HG3 ARG A 149 -2.519 -12.505 19.977 1.00 6.46 H new ATOM 0 HD2 ARG A 149 -1.372 -12.640 22.066 1.00 7.11 H new ATOM 0 HD3 ARG A 149 -1.133 -10.906 22.152 1.00 7.11 H new ATOM 0 HE ARG A 149 -3.955 -11.815 22.119 1.00 8.55 H new ATOM 0 HH11 ARG A 149 -1.251 -11.301 24.340 1.00 9.35 H new ATOM 0 HH12 ARG A 149 -2.318 -10.658 25.592 1.00 9.35 H new ATOM 0 HH21 ARG A 149 -5.158 -10.700 23.667 1.00 10.83 H new ATOM 0 HH22 ARG A 149 -4.419 -10.333 25.229 1.00 10.83 H new TER 2216 ARG A 149