USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 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 75 ASN : amide:sc= -0.559 X(o=-0.48,f=-0.49) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0.0752 USER MOD Set 2.1: A 31 ASN : amide:sc= 0.127 K(o=1.6,f=-6!) USER MOD Set 2.2: A 33 SER OG : rot 119:sc= 1.45 USER MOD Set 3.1: A 12 THR OG1 : rot -50:sc= 1.01 USER MOD Set 3.2: A 14 ASN : amide:sc= 0.00905 K(o=1,f=0.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.622 K(o=-0.62,f=-1.6) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.485 K(o=0.49,f=-3.3!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 8 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.0092) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 2.16 (180deg=1.43) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.844 (180deg=0.83) USER MOD Single : A 32 THR OG1 : rot -55:sc= 1.16 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 37 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.056) USER MOD Single : A 39 MET CE :methyl -133:sc= -1.25 (180deg=-4.88!) USER MOD Single : A 44 MET CE :methyl 135:sc= -0.423 (180deg=-3.81!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.608 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -130:sc= 0 USER MOD Single : A 58 THR OG1 : rot 130:sc= 0.0015 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 61 TYR OH : rot -82:sc= -0.0725 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.843! (180deg=-1.79!) USER MOD Single : A 67 GLN : amide:sc= -5.89! K(o=-5.9!,f=-1) USER MOD Single : A 68 THR OG1 : rot 47:sc= 0.582 USER MOD Single : A 70 THR OG1 : rot 160:sc= 0.454 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 60:sc= 0.892 USER MOD Single : A 84 THR OG1 : rot 44:sc= -0.186 USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 2.2 (180deg=2.15) USER MOD Single : A 90 ASN : amide:sc= -0.616 K(o=-0.62,f=-0.11) USER MOD Single : A 91 GLN : amide:sc= 0.334 K(o=0.33,f=-6.3!) USER MOD Single : A 92 ASN : amide:sc=-0.000807 X(o=-0.00081,f=0) USER MOD Single : A 96 THR OG1 : rot -120:sc= 0.0795 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.3) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0.238 X(o=0.24,f=-0.0017) USER MOD Single : A 114 GLN : amide:sc= -0.0482 K(o=-0.048,f=-1.6) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 68:sc= -0.98! USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 42:sc= 0.668 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.816 -27.092 0.127 1.00 15.01 N ATOM 2 CA MET A 1 -24.799 -28.565 0.346 1.00 44.51 C ATOM 3 C MET A 1 -25.326 -28.905 1.750 1.00 63.32 C ATOM 4 O MET A 1 -24.760 -28.467 2.756 1.00 10.35 O ATOM 5 CB MET A 1 -23.368 -29.100 0.153 1.00 23.12 C ATOM 6 CG MET A 1 -23.239 -30.621 0.224 1.00 41.54 C ATOM 7 SD MET A 1 -23.480 -31.280 1.889 1.00 13.42 S ATOM 8 CE MET A 1 -23.155 -33.023 1.611 1.00 24.00 C ATOM 0 H1 MET A 1 -24.457 -26.878 -0.826 1.00 15.01 H new ATOM 0 H2 MET A 1 -25.790 -26.739 0.217 1.00 15.01 H new ATOM 0 H3 MET A 1 -24.213 -26.629 0.836 1.00 15.01 H new ATOM 0 HA MET A 1 -25.453 -29.043 -0.383 1.00 44.51 H new ATOM 0 HB2 MET A 1 -22.996 -28.762 -0.814 1.00 23.12 H new ATOM 0 HB3 MET A 1 -22.724 -28.659 0.914 1.00 23.12 H new ATOM 0 HG2 MET A 1 -23.969 -31.073 -0.448 1.00 41.54 H new ATOM 0 HG3 MET A 1 -22.252 -30.912 -0.136 1.00 41.54 H new ATOM 0 HE1 MET A 1 -23.264 -33.568 2.549 1.00 24.00 H new ATOM 0 HE2 MET A 1 -23.863 -33.413 0.880 1.00 24.00 H new ATOM 0 HE3 MET A 1 -22.140 -33.148 1.235 1.00 24.00 H new ATOM 20 N GLY A 2 -26.417 -29.676 1.808 1.00 14.12 N ATOM 21 CA GLY A 2 -27.043 -30.006 3.089 1.00 53.51 C ATOM 22 C GLY A 2 -27.446 -28.767 3.886 1.00 60.05 C ATOM 23 O GLY A 2 -28.409 -28.078 3.537 1.00 41.24 O ATOM 0 H GLY A 2 -26.879 -30.078 0.992 1.00 14.12 H new ATOM 0 HA2 GLY A 2 -27.925 -30.620 2.910 1.00 53.51 H new ATOM 0 HA3 GLY A 2 -26.352 -30.606 3.682 1.00 53.51 H new ATOM 27 N HIS A 3 -26.712 -28.487 4.962 1.00 42.43 N ATOM 28 CA HIS A 3 -26.916 -27.265 5.747 1.00 12.42 C ATOM 29 C HIS A 3 -25.570 -26.734 6.284 1.00 72.11 C ATOM 30 O HIS A 3 -25.475 -26.258 7.417 1.00 11.30 O ATOM 31 CB HIS A 3 -27.902 -27.532 6.897 1.00 15.21 C ATOM 32 CG HIS A 3 -28.422 -26.281 7.545 1.00 33.13 C ATOM 33 ND1 HIS A 3 -27.829 -25.701 8.643 1.00 14.34 N ATOM 34 CD2 HIS A 3 -29.485 -25.496 7.242 1.00 54.34 C ATOM 35 CE1 HIS A 3 -28.497 -24.620 8.986 1.00 21.23 C ATOM 36 NE2 HIS A 3 -29.506 -24.468 8.154 1.00 53.22 N ATOM 0 H HIS A 3 -25.968 -29.090 5.313 1.00 42.43 H new ATOM 0 HA HIS A 3 -27.344 -26.499 5.100 1.00 12.42 H new ATOM 0 HB2 HIS A 3 -28.743 -28.111 6.516 1.00 15.21 H new ATOM 0 HB3 HIS A 3 -27.409 -28.145 7.652 1.00 15.21 H new ATOM 0 HD1 HIS A 3 -26.999 -26.055 9.118 1.00 14.34 H new ATOM 0 HD2 HIS A 3 -30.185 -25.650 6.434 1.00 54.34 H new ATOM 0 HE1 HIS A 3 -28.257 -23.967 9.812 1.00 21.23 H new ATOM 45 N HIS A 4 -24.533 -26.812 5.449 1.00 34.25 N ATOM 46 CA HIS A 4 -23.190 -26.326 5.811 1.00 22.22 C ATOM 47 C HIS A 4 -22.891 -24.930 5.227 1.00 0.30 C ATOM 48 O HIS A 4 -21.779 -24.422 5.373 1.00 3.15 O ATOM 49 CB HIS A 4 -22.115 -27.312 5.323 1.00 65.05 C ATOM 50 CG HIS A 4 -22.005 -28.568 6.134 1.00 24.40 C ATOM 51 ND1 HIS A 4 -20.844 -28.943 6.777 1.00 70.51 N ATOM 52 CD2 HIS A 4 -22.901 -29.550 6.390 1.00 14.33 C ATOM 53 CE1 HIS A 4 -21.028 -30.093 7.387 1.00 44.02 C ATOM 54 NE2 HIS A 4 -22.265 -30.485 7.171 1.00 54.44 N ATOM 0 H HIS A 4 -24.593 -27.209 4.511 1.00 34.25 H new ATOM 0 HA HIS A 4 -23.168 -26.250 6.898 1.00 22.22 H new ATOM 0 HB2 HIS A 4 -22.330 -27.581 4.289 1.00 65.05 H new ATOM 0 HB3 HIS A 4 -21.149 -26.807 5.327 1.00 65.05 H new ATOM 0 HD2 HIS A 4 -23.924 -29.591 6.045 1.00 14.33 H new ATOM 0 HE1 HIS A 4 -20.289 -30.626 7.967 1.00 44.02 H new ATOM 0 HE2 HIS A 4 -22.684 -31.344 7.526 1.00 54.44 H new ATOM 63 N HIS A 5 -23.874 -24.306 4.577 1.00 64.31 N ATOM 64 CA HIS A 5 -23.646 -23.016 3.913 1.00 3.42 C ATOM 65 C HIS A 5 -23.483 -21.881 4.942 1.00 3.34 C ATOM 66 O HIS A 5 -24.465 -21.333 5.447 1.00 23.34 O ATOM 67 CB HIS A 5 -24.790 -22.700 2.936 1.00 11.54 C ATOM 68 CG HIS A 5 -24.491 -21.560 2.010 1.00 33.44 C ATOM 69 ND1 HIS A 5 -24.043 -21.741 0.716 1.00 31.45 N ATOM 70 CD2 HIS A 5 -24.566 -20.216 2.188 1.00 71.00 C ATOM 71 CE1 HIS A 5 -23.857 -20.568 0.146 1.00 13.20 C ATOM 72 NE2 HIS A 5 -24.166 -19.632 1.015 1.00 22.34 N ATOM 0 H HIS A 5 -24.825 -24.665 4.495 1.00 64.31 H new ATOM 0 HA HIS A 5 -22.718 -23.091 3.346 1.00 3.42 H new ATOM 0 HB2 HIS A 5 -25.008 -23.590 2.345 1.00 11.54 H new ATOM 0 HB3 HIS A 5 -25.690 -22.468 3.506 1.00 11.54 H new ATOM 0 HD2 HIS A 5 -24.881 -19.704 3.085 1.00 71.00 H new ATOM 0 HE1 HIS A 5 -23.510 -20.404 -0.863 1.00 13.20 H new ATOM 0 HE2 HIS A 5 -24.116 -18.628 0.843 1.00 22.34 H new ATOM 81 N HIS A 6 -22.231 -21.533 5.240 1.00 71.23 N ATOM 82 CA HIS A 6 -21.921 -20.522 6.261 1.00 3.02 C ATOM 83 C HIS A 6 -21.020 -19.401 5.713 1.00 32.04 C ATOM 84 O HIS A 6 -20.284 -18.764 6.467 1.00 22.43 O ATOM 85 CB HIS A 6 -21.256 -21.190 7.476 1.00 35.31 C ATOM 86 CG HIS A 6 -19.992 -21.935 7.158 1.00 33.54 C ATOM 87 ND1 HIS A 6 -19.969 -23.282 6.883 1.00 15.22 N ATOM 88 CD2 HIS A 6 -18.702 -21.521 7.086 1.00 40.13 C ATOM 89 CE1 HIS A 6 -18.731 -23.666 6.658 1.00 11.44 C ATOM 90 NE2 HIS A 6 -17.942 -22.620 6.773 1.00 63.10 N ATOM 0 H HIS A 6 -21.410 -21.936 4.789 1.00 71.23 H new ATOM 0 HA HIS A 6 -22.862 -20.063 6.565 1.00 3.02 H new ATOM 0 HB2 HIS A 6 -21.035 -20.425 8.221 1.00 35.31 H new ATOM 0 HB3 HIS A 6 -21.966 -21.881 7.930 1.00 35.31 H new ATOM 0 HD1 HIS A 6 -20.787 -23.891 6.857 1.00 15.22 H new ATOM 0 HD2 HIS A 6 -18.341 -20.516 7.245 1.00 40.13 H new ATOM 0 HE1 HIS A 6 -18.416 -24.671 6.419 1.00 11.44 H new ATOM 99 N HIS A 7 -21.078 -19.159 4.405 1.00 71.11 N ATOM 100 CA HIS A 7 -20.307 -18.071 3.789 1.00 52.10 C ATOM 101 C HIS A 7 -20.796 -16.692 4.272 1.00 43.35 C ATOM 102 O HIS A 7 -21.802 -16.171 3.789 1.00 3.01 O ATOM 103 CB HIS A 7 -20.384 -18.155 2.257 1.00 63.31 C ATOM 104 CG HIS A 7 -19.619 -17.070 1.553 1.00 5.43 C ATOM 105 ND1 HIS A 7 -18.269 -17.149 1.288 1.00 4.42 N ATOM 106 CD2 HIS A 7 -20.021 -15.869 1.066 1.00 54.12 C ATOM 107 CE1 HIS A 7 -17.874 -16.053 0.677 1.00 52.13 C ATOM 108 NE2 HIS A 7 -18.914 -15.261 0.528 1.00 64.43 N ATOM 0 H HIS A 7 -21.647 -19.696 3.751 1.00 71.11 H new ATOM 0 HA HIS A 7 -19.268 -18.187 4.097 1.00 52.10 H new ATOM 0 HB2 HIS A 7 -20.002 -19.124 1.936 1.00 63.31 H new ATOM 0 HB3 HIS A 7 -21.429 -18.107 1.951 1.00 63.31 H new ATOM 0 HD2 HIS A 7 -21.023 -15.467 1.096 1.00 54.12 H new ATOM 0 HE1 HIS A 7 -16.866 -15.839 0.353 1.00 52.13 H new ATOM 0 HE2 HIS A 7 -18.900 -14.343 0.084 1.00 64.43 H new ATOM 117 N HIS A 8 -20.083 -16.112 5.237 1.00 5.11 N ATOM 118 CA HIS A 8 -20.412 -14.775 5.749 1.00 2.30 C ATOM 119 C HIS A 8 -19.525 -13.705 5.091 1.00 54.02 C ATOM 120 O HIS A 8 -18.310 -13.689 5.293 1.00 61.24 O ATOM 121 CB HIS A 8 -20.239 -14.724 7.277 1.00 74.51 C ATOM 122 CG HIS A 8 -21.039 -15.756 8.015 1.00 30.34 C ATOM 123 ND1 HIS A 8 -22.408 -15.700 8.140 1.00 63.43 N ATOM 124 CD2 HIS A 8 -20.653 -16.879 8.671 1.00 44.51 C ATOM 125 CE1 HIS A 8 -22.830 -16.737 8.835 1.00 32.24 C ATOM 126 NE2 HIS A 8 -21.787 -17.466 9.169 1.00 52.05 N ATOM 0 H HIS A 8 -19.273 -16.544 5.682 1.00 5.11 H new ATOM 0 HA HIS A 8 -21.453 -14.568 5.502 1.00 2.30 H new ATOM 0 HB2 HIS A 8 -19.184 -14.856 7.518 1.00 74.51 H new ATOM 0 HB3 HIS A 8 -20.526 -13.734 7.632 1.00 74.51 H new ATOM 0 HD2 HIS A 8 -19.642 -17.242 8.780 1.00 44.51 H new ATOM 0 HE1 HIS A 8 -23.858 -16.952 9.088 1.00 32.24 H new ATOM 0 HE2 HIS A 8 -21.817 -18.329 9.711 1.00 52.05 H new ATOM 135 N SER A 9 -20.129 -12.815 4.303 1.00 43.01 N ATOM 136 CA SER A 9 -19.372 -11.768 3.598 1.00 13.41 C ATOM 137 C SER A 9 -19.722 -10.369 4.125 1.00 25.12 C ATOM 138 O SER A 9 -20.565 -9.670 3.562 1.00 64.20 O ATOM 139 CB SER A 9 -19.640 -11.840 2.089 1.00 43.35 C ATOM 140 OG SER A 9 -18.812 -10.933 1.367 1.00 74.54 O ATOM 0 H SER A 9 -21.135 -12.794 4.134 1.00 43.01 H new ATOM 0 HA SER A 9 -18.313 -11.945 3.784 1.00 13.41 H new ATOM 0 HB2 SER A 9 -19.463 -12.856 1.735 1.00 43.35 H new ATOM 0 HB3 SER A 9 -20.688 -11.612 1.893 1.00 43.35 H new ATOM 0 HG SER A 9 -19.006 -11.005 0.409 1.00 74.54 H new ATOM 146 N HIS A 10 -19.100 -9.980 5.239 1.00 43.35 N ATOM 147 CA HIS A 10 -19.311 -8.651 5.833 1.00 4.33 C ATOM 148 C HIS A 10 -17.977 -7.973 6.180 1.00 61.30 C ATOM 149 O HIS A 10 -17.202 -8.489 6.985 1.00 22.13 O ATOM 150 CB HIS A 10 -20.180 -8.761 7.094 1.00 22.33 C ATOM 151 CG HIS A 10 -21.584 -9.212 6.821 1.00 34.51 C ATOM 152 ND1 HIS A 10 -22.657 -8.349 6.789 1.00 51.21 N ATOM 153 CD2 HIS A 10 -22.089 -10.444 6.566 1.00 70.22 C ATOM 154 CE1 HIS A 10 -23.757 -9.027 6.529 1.00 74.42 C ATOM 155 NE2 HIS A 10 -23.440 -10.295 6.390 1.00 22.11 N ATOM 0 H HIS A 10 -18.442 -10.566 5.753 1.00 43.35 H new ATOM 0 HA HIS A 10 -19.824 -8.037 5.093 1.00 4.33 H new ATOM 0 HB2 HIS A 10 -19.712 -9.460 7.787 1.00 22.33 H new ATOM 0 HB3 HIS A 10 -20.209 -7.791 7.590 1.00 22.33 H new ATOM 0 HD2 HIS A 10 -21.532 -11.368 6.512 1.00 70.22 H new ATOM 0 HE1 HIS A 10 -24.750 -8.611 6.445 1.00 74.42 H new ATOM 0 HE2 HIS A 10 -24.096 -11.049 6.184 1.00 22.11 H new ATOM 164 N MET A 11 -17.731 -6.810 5.566 1.00 14.35 N ATOM 165 CA MET A 11 -16.497 -6.032 5.781 1.00 52.14 C ATOM 166 C MET A 11 -15.232 -6.808 5.359 1.00 53.25 C ATOM 167 O MET A 11 -14.811 -7.756 6.020 1.00 33.14 O ATOM 168 CB MET A 11 -16.389 -5.572 7.243 1.00 42.13 C ATOM 169 CG MET A 11 -17.523 -4.651 7.670 1.00 44.52 C ATOM 170 SD MET A 11 -17.629 -3.172 6.640 1.00 1.43 S ATOM 171 CE MET A 11 -19.083 -2.381 7.326 1.00 64.22 C ATOM 0 H MET A 11 -18.378 -6.379 4.906 1.00 14.35 H new ATOM 0 HA MET A 11 -16.561 -5.152 5.141 1.00 52.14 H new ATOM 0 HB2 MET A 11 -16.377 -6.448 7.892 1.00 42.13 H new ATOM 0 HB3 MET A 11 -15.439 -5.057 7.385 1.00 42.13 H new ATOM 0 HG2 MET A 11 -18.467 -5.194 7.621 1.00 44.52 H new ATOM 0 HG3 MET A 11 -17.378 -4.357 8.710 1.00 44.52 H new ATOM 0 HE1 MET A 11 -19.278 -1.451 6.792 1.00 64.22 H new ATOM 0 HE2 MET A 11 -19.941 -3.045 7.223 1.00 64.22 H new ATOM 0 HE3 MET A 11 -18.916 -2.165 8.381 1.00 64.22 H new ATOM 181 N THR A 12 -14.615 -6.378 4.258 1.00 4.02 N ATOM 182 CA THR A 12 -13.431 -7.060 3.710 1.00 63.53 C ATOM 183 C THR A 12 -12.114 -6.433 4.210 1.00 11.23 C ATOM 184 O THR A 12 -11.119 -6.376 3.480 1.00 24.55 O ATOM 185 CB THR A 12 -13.449 -7.050 2.159 1.00 35.00 C ATOM 186 OG1 THR A 12 -12.324 -7.781 1.646 1.00 71.41 O ATOM 187 CG2 THR A 12 -13.431 -5.624 1.609 1.00 35.43 C ATOM 0 H THR A 12 -14.912 -5.561 3.724 1.00 4.02 H new ATOM 0 HA THR A 12 -13.476 -8.089 4.066 1.00 63.53 H new ATOM 0 HB THR A 12 -14.373 -7.528 1.835 1.00 35.00 H new ATOM 0 HG1 THR A 12 -11.503 -7.463 2.077 1.00 71.41 H new ATOM 0 HG21 THR A 12 -13.444 -5.654 0.519 1.00 35.43 H new ATOM 0 HG22 THR A 12 -14.308 -5.085 1.968 1.00 35.43 H new ATOM 0 HG23 THR A 12 -12.528 -5.115 1.947 1.00 35.43 H new ATOM 195 N GLY A 13 -12.095 -5.993 5.469 1.00 5.33 N ATOM 196 CA GLY A 13 -10.889 -5.391 6.044 1.00 72.23 C ATOM 197 C GLY A 13 -9.814 -6.422 6.384 1.00 75.41 C ATOM 198 O GLY A 13 -9.436 -6.583 7.546 1.00 41.42 O ATOM 0 H GLY A 13 -12.891 -6.041 6.105 1.00 5.33 H new ATOM 0 HA2 GLY A 13 -10.480 -4.666 5.340 1.00 72.23 H new ATOM 0 HA3 GLY A 13 -11.158 -4.843 6.947 1.00 72.23 H new ATOM 202 N ASN A 14 -9.326 -7.124 5.363 1.00 24.22 N ATOM 203 CA ASN A 14 -8.310 -8.167 5.542 1.00 75.23 C ATOM 204 C ASN A 14 -6.893 -7.613 5.320 1.00 33.41 C ATOM 205 O ASN A 14 -5.933 -8.060 5.951 1.00 4.51 O ATOM 206 CB ASN A 14 -8.571 -9.322 4.566 1.00 64.01 C ATOM 207 CG ASN A 14 -9.924 -9.977 4.785 1.00 73.34 C ATOM 208 OD1 ASN A 14 -10.051 -10.921 5.552 1.00 0.20 O ATOM 209 ND2 ASN A 14 -10.945 -9.489 4.108 1.00 2.45 N ATOM 0 H ASN A 14 -9.619 -6.990 4.395 1.00 24.22 H new ATOM 0 HA ASN A 14 -8.377 -8.529 6.568 1.00 75.23 H new ATOM 0 HB2 ASN A 14 -8.513 -8.949 3.543 1.00 64.01 H new ATOM 0 HB3 ASN A 14 -7.787 -10.071 4.677 1.00 64.01 H new ATOM 0 HD21 ASN A 14 -11.872 -9.900 4.217 1.00 2.45 H new ATOM 0 HD22 ASN A 14 -10.808 -8.701 3.476 1.00 2.45 H new ATOM 216 N VAL A 15 -6.773 -6.640 4.415 1.00 14.34 N ATOM 217 CA VAL A 15 -5.478 -6.040 4.079 1.00 41.53 C ATOM 218 C VAL A 15 -5.342 -4.630 4.677 1.00 43.14 C ATOM 219 O VAL A 15 -6.132 -3.736 4.378 1.00 4.02 O ATOM 220 CB VAL A 15 -5.276 -5.958 2.543 1.00 41.01 C ATOM 221 CG1 VAL A 15 -3.886 -5.421 2.202 1.00 51.45 C ATOM 222 CG2 VAL A 15 -5.509 -7.321 1.887 1.00 73.24 C ATOM 0 H VAL A 15 -7.561 -6.248 3.899 1.00 14.34 H new ATOM 0 HA VAL A 15 -4.712 -6.686 4.508 1.00 41.53 H new ATOM 0 HB VAL A 15 -6.014 -5.261 2.145 1.00 41.01 H new ATOM 0 HG11 VAL A 15 -3.770 -5.373 1.119 1.00 51.45 H new ATOM 0 HG12 VAL A 15 -3.768 -4.423 2.624 1.00 51.45 H new ATOM 0 HG13 VAL A 15 -3.128 -6.083 2.619 1.00 51.45 H new ATOM 0 HG21 VAL A 15 -5.361 -7.237 0.810 1.00 73.24 H new ATOM 0 HG22 VAL A 15 -4.804 -8.046 2.294 1.00 73.24 H new ATOM 0 HG23 VAL A 15 -6.528 -7.652 2.089 1.00 73.24 H new ATOM 232 N CYS A 16 -4.333 -4.440 5.523 1.00 53.12 N ATOM 233 CA CYS A 16 -4.066 -3.134 6.144 1.00 74.21 C ATOM 234 C CYS A 16 -2.575 -2.783 6.061 1.00 64.45 C ATOM 235 O CYS A 16 -1.726 -3.666 5.936 1.00 54.42 O ATOM 236 CB CYS A 16 -4.517 -3.140 7.609 1.00 35.25 C ATOM 237 SG CYS A 16 -3.662 -4.355 8.641 1.00 32.04 S ATOM 0 H CYS A 16 -3.681 -5.174 5.799 1.00 53.12 H new ATOM 0 HA CYS A 16 -4.631 -2.379 5.598 1.00 74.21 H new ATOM 0 HB2 CYS A 16 -4.360 -2.147 8.030 1.00 35.25 H new ATOM 0 HB3 CYS A 16 -5.588 -3.337 7.647 1.00 35.25 H new ATOM 0 HG CYS A 16 -4.110 -4.281 9.859 1.00 32.04 H new ATOM 243 N ILE A 17 -2.256 -1.492 6.130 1.00 41.20 N ATOM 244 CA ILE A 17 -0.862 -1.036 6.047 1.00 44.41 C ATOM 245 C ILE A 17 -0.074 -1.401 7.314 1.00 52.00 C ATOM 246 O ILE A 17 -0.489 -1.078 8.430 1.00 64.13 O ATOM 247 CB ILE A 17 -0.774 0.497 5.832 1.00 64.22 C ATOM 248 CG1 ILE A 17 -1.557 0.916 4.578 1.00 33.04 C ATOM 249 CG2 ILE A 17 0.687 0.943 5.730 1.00 51.43 C ATOM 250 CD1 ILE A 17 -1.598 2.416 4.355 1.00 43.32 C ATOM 0 H ILE A 17 -2.938 -0.742 6.243 1.00 41.20 H new ATOM 0 HA ILE A 17 -0.424 -1.545 5.189 1.00 44.41 H new ATOM 0 HB ILE A 17 -1.224 0.989 6.694 1.00 64.22 H new ATOM 0 HG12 ILE A 17 -1.109 0.440 3.705 1.00 33.04 H new ATOM 0 HG13 ILE A 17 -2.578 0.542 4.656 1.00 33.04 H new ATOM 0 HG21 ILE A 17 0.728 2.022 5.579 1.00 51.43 H new ATOM 0 HG22 ILE A 17 1.211 0.685 6.650 1.00 51.43 H new ATOM 0 HG23 ILE A 17 1.163 0.440 4.888 1.00 51.43 H new ATOM 0 HD11 ILE A 17 -2.168 2.634 3.452 1.00 43.32 H new ATOM 0 HD12 ILE A 17 -2.074 2.898 5.209 1.00 43.32 H new ATOM 0 HD13 ILE A 17 -0.582 2.795 4.244 1.00 43.32 H new ATOM 262 N GLU A 18 1.065 -2.066 7.138 1.00 43.01 N ATOM 263 CA GLU A 18 1.933 -2.418 8.263 1.00 42.12 C ATOM 264 C GLU A 18 2.949 -1.297 8.540 1.00 11.33 C ATOM 265 O GLU A 18 2.886 -0.622 9.573 1.00 31.11 O ATOM 266 CB GLU A 18 2.668 -3.738 7.982 1.00 24.11 C ATOM 267 CG GLU A 18 3.601 -4.171 9.110 1.00 31.03 C ATOM 268 CD GLU A 18 4.323 -5.477 8.813 1.00 74.43 C ATOM 269 OE1 GLU A 18 5.385 -5.437 8.161 1.00 41.53 O ATOM 270 OE2 GLU A 18 3.828 -6.548 9.230 1.00 52.15 O ATOM 0 H GLU A 18 1.410 -2.373 6.228 1.00 43.01 H new ATOM 0 HA GLU A 18 1.308 -2.544 9.147 1.00 42.12 H new ATOM 0 HB2 GLU A 18 1.933 -4.524 7.808 1.00 24.11 H new ATOM 0 HB3 GLU A 18 3.246 -3.634 7.064 1.00 24.11 H new ATOM 0 HG2 GLU A 18 4.337 -3.387 9.287 1.00 31.03 H new ATOM 0 HG3 GLU A 18 3.025 -4.281 10.029 1.00 31.03 H new ATOM 277 N GLU A 19 3.870 -1.079 7.601 1.00 42.22 N ATOM 278 CA GLU A 19 4.928 -0.077 7.780 1.00 41.31 C ATOM 279 C GLU A 19 5.144 0.768 6.514 1.00 25.12 C ATOM 280 O GLU A 19 5.285 0.237 5.409 1.00 64.23 O ATOM 281 CB GLU A 19 6.239 -0.763 8.188 1.00 23.12 C ATOM 282 CG GLU A 19 7.382 0.207 8.481 1.00 11.44 C ATOM 283 CD GLU A 19 8.619 -0.490 9.028 1.00 62.22 C ATOM 284 OE1 GLU A 19 8.702 -0.678 10.260 1.00 64.34 O ATOM 285 OE2 GLU A 19 9.513 -0.844 8.232 1.00 70.21 O ATOM 0 H GLU A 19 3.908 -1.578 6.712 1.00 42.22 H new ATOM 0 HA GLU A 19 4.608 0.599 8.573 1.00 41.31 H new ATOM 0 HB2 GLU A 19 6.058 -1.373 9.073 1.00 23.12 H new ATOM 0 HB3 GLU A 19 6.546 -1.440 7.391 1.00 23.12 H new ATOM 0 HG2 GLU A 19 7.645 0.739 7.567 1.00 11.44 H new ATOM 0 HG3 GLU A 19 7.044 0.954 9.199 1.00 11.44 H new ATOM 292 N ILE A 20 5.163 2.087 6.690 1.00 71.42 N ATOM 293 CA ILE A 20 5.418 3.025 5.592 1.00 72.24 C ATOM 294 C ILE A 20 6.847 3.576 5.682 1.00 71.51 C ATOM 295 O ILE A 20 7.186 4.287 6.630 1.00 25.01 O ATOM 296 CB ILE A 20 4.417 4.207 5.623 1.00 43.44 C ATOM 297 CG1 ILE A 20 2.973 3.681 5.608 1.00 61.54 C ATOM 298 CG2 ILE A 20 4.665 5.156 4.449 1.00 64.50 C ATOM 299 CD1 ILE A 20 1.927 4.765 5.751 1.00 30.03 C ATOM 0 H ILE A 20 5.003 2.537 7.591 1.00 71.42 H new ATOM 0 HA ILE A 20 5.292 2.480 4.657 1.00 72.24 H new ATOM 0 HB ILE A 20 4.569 4.768 6.545 1.00 43.44 H new ATOM 0 HG12 ILE A 20 2.801 3.144 4.675 1.00 61.54 H new ATOM 0 HG13 ILE A 20 2.850 2.961 6.417 1.00 61.54 H new ATOM 0 HG21 ILE A 20 3.951 5.979 4.489 1.00 64.50 H new ATOM 0 HG22 ILE A 20 5.679 5.552 4.509 1.00 64.50 H new ATOM 0 HG23 ILE A 20 4.542 4.615 3.511 1.00 64.50 H new ATOM 0 HD11 ILE A 20 0.934 4.317 5.732 1.00 30.03 H new ATOM 0 HD12 ILE A 20 2.071 5.287 6.697 1.00 30.03 H new ATOM 0 HD13 ILE A 20 2.022 5.473 4.928 1.00 30.03 H new ATOM 311 N ASP A 21 7.679 3.245 4.699 1.00 33.12 N ATOM 312 CA ASP A 21 9.082 3.654 4.716 1.00 53.22 C ATOM 313 C ASP A 21 9.258 5.149 4.388 1.00 12.33 C ATOM 314 O ASP A 21 8.589 5.699 3.508 1.00 4.14 O ATOM 315 CB ASP A 21 9.889 2.793 3.740 1.00 45.14 C ATOM 316 CG ASP A 21 11.318 3.268 3.610 1.00 52.53 C ATOM 317 OD1 ASP A 21 11.981 3.443 4.651 1.00 4.23 O ATOM 318 OD2 ASP A 21 11.775 3.487 2.470 1.00 1.04 O ATOM 0 H ASP A 21 7.408 2.697 3.883 1.00 33.12 H new ATOM 0 HA ASP A 21 9.456 3.503 5.728 1.00 53.22 H new ATOM 0 HB2 ASP A 21 9.881 1.757 4.079 1.00 45.14 H new ATOM 0 HB3 ASP A 21 9.411 2.811 2.761 1.00 45.14 H new ATOM 323 N VAL A 22 10.169 5.793 5.112 1.00 5.31 N ATOM 324 CA VAL A 22 10.508 7.202 4.887 1.00 2.13 C ATOM 325 C VAL A 22 11.829 7.334 4.100 1.00 73.53 C ATOM 326 O VAL A 22 12.130 8.386 3.530 1.00 64.23 O ATOM 327 CB VAL A 22 10.621 7.964 6.237 1.00 72.14 C ATOM 328 CG1 VAL A 22 11.730 7.373 7.109 1.00 20.33 C ATOM 329 CG2 VAL A 22 10.838 9.462 6.010 1.00 22.40 C ATOM 0 H VAL A 22 10.694 5.357 5.870 1.00 5.31 H new ATOM 0 HA VAL A 22 9.705 7.645 4.298 1.00 2.13 H new ATOM 0 HB VAL A 22 9.677 7.843 6.768 1.00 72.14 H new ATOM 0 HG11 VAL A 22 11.788 7.924 8.047 1.00 20.33 H new ATOM 0 HG12 VAL A 22 11.511 6.326 7.316 1.00 20.33 H new ATOM 0 HG13 VAL A 22 12.683 7.447 6.585 1.00 20.33 H new ATOM 0 HG21 VAL A 22 10.913 9.969 6.972 1.00 22.40 H new ATOM 0 HG22 VAL A 22 11.758 9.615 5.446 1.00 22.40 H new ATOM 0 HG23 VAL A 22 9.997 9.871 5.450 1.00 22.40 H new ATOM 339 N ASP A 23 12.597 6.246 4.055 1.00 1.01 N ATOM 340 CA ASP A 23 13.897 6.228 3.376 1.00 13.23 C ATOM 341 C ASP A 23 13.726 6.262 1.841 1.00 31.02 C ATOM 342 O ASP A 23 14.687 6.497 1.098 1.00 5.42 O ATOM 343 CB ASP A 23 14.685 4.989 3.828 1.00 32.42 C ATOM 344 CG ASP A 23 16.144 5.032 3.423 1.00 32.10 C ATOM 345 OD1 ASP A 23 16.826 6.026 3.739 1.00 24.43 O ATOM 346 OD2 ASP A 23 16.626 4.063 2.802 1.00 22.53 O ATOM 0 H ASP A 23 12.340 5.357 4.484 1.00 1.01 H new ATOM 0 HA ASP A 23 14.457 7.122 3.650 1.00 13.23 H new ATOM 0 HB2 ASP A 23 14.618 4.899 4.912 1.00 32.42 H new ATOM 0 HB3 ASP A 23 14.223 4.097 3.404 1.00 32.42 H new ATOM 351 N GLY A 24 12.501 6.008 1.374 1.00 73.10 N ATOM 352 CA GLY A 24 12.151 6.252 -0.026 1.00 22.51 C ATOM 353 C GLY A 24 12.172 5.012 -0.916 1.00 11.45 C ATOM 354 O GLY A 24 12.422 5.116 -2.118 1.00 41.22 O ATOM 0 H GLY A 24 11.740 5.636 1.941 1.00 73.10 H new ATOM 0 HA2 GLY A 24 11.155 6.694 -0.065 1.00 22.51 H new ATOM 0 HA3 GLY A 24 12.843 6.988 -0.436 1.00 22.51 H new ATOM 358 N LYS A 25 11.903 3.842 -0.341 1.00 42.45 N ATOM 359 CA LYS A 25 11.938 2.582 -1.099 1.00 11.53 C ATOM 360 C LYS A 25 10.553 1.923 -1.246 1.00 32.31 C ATOM 361 O LYS A 25 10.123 1.631 -2.366 1.00 3.33 O ATOM 362 CB LYS A 25 12.923 1.584 -0.456 1.00 3.02 C ATOM 363 CG LYS A 25 14.396 1.887 -0.741 1.00 71.34 C ATOM 364 CD LYS A 25 14.877 3.158 -0.042 1.00 3.04 C ATOM 365 CE LYS A 25 16.249 3.594 -0.540 1.00 50.10 C ATOM 366 NZ LYS A 25 16.735 4.810 0.161 1.00 54.54 N ATOM 0 H LYS A 25 11.659 3.734 0.643 1.00 42.45 H new ATOM 0 HA LYS A 25 12.278 2.843 -2.101 1.00 11.53 H new ATOM 0 HB2 LYS A 25 12.766 1.580 0.623 1.00 3.02 H new ATOM 0 HB3 LYS A 25 12.693 0.581 -0.816 1.00 3.02 H new ATOM 0 HG2 LYS A 25 15.006 1.044 -0.416 1.00 71.34 H new ATOM 0 HG3 LYS A 25 14.541 1.990 -1.816 1.00 71.34 H new ATOM 0 HD2 LYS A 25 14.158 3.960 -0.210 1.00 3.04 H new ATOM 0 HD3 LYS A 25 14.918 2.988 1.034 1.00 3.04 H new ATOM 0 HE2 LYS A 25 16.962 2.782 -0.395 1.00 50.10 H new ATOM 0 HE3 LYS A 25 16.201 3.788 -1.611 1.00 50.10 H new ATOM 0 HZ1 LYS A 25 17.544 5.209 -0.357 1.00 54.54 H new ATOM 0 HZ2 LYS A 25 15.971 5.514 0.205 1.00 54.54 H new ATOM 0 HZ3 LYS A 25 17.031 4.559 1.126 1.00 54.54 H new ATOM 380 N PHE A 26 9.853 1.682 -0.134 1.00 15.22 N ATOM 381 CA PHE A 26 8.622 0.870 -0.186 1.00 75.33 C ATOM 382 C PHE A 26 7.556 1.276 0.850 1.00 12.11 C ATOM 383 O PHE A 26 7.809 2.039 1.779 1.00 0.12 O ATOM 384 CB PHE A 26 8.981 -0.609 0.019 1.00 34.13 C ATOM 385 CG PHE A 26 9.557 -0.911 1.385 1.00 41.40 C ATOM 386 CD1 PHE A 26 10.908 -0.717 1.643 1.00 51.13 C ATOM 387 CD2 PHE A 26 8.746 -1.381 2.412 1.00 31.41 C ATOM 388 CE1 PHE A 26 11.435 -0.985 2.893 1.00 21.25 C ATOM 389 CE2 PHE A 26 9.271 -1.652 3.661 1.00 14.01 C ATOM 390 CZ PHE A 26 10.616 -1.452 3.902 1.00 73.24 C ATOM 0 H PHE A 26 10.104 2.025 0.793 1.00 15.22 H new ATOM 0 HA PHE A 26 8.183 1.044 -1.168 1.00 75.33 H new ATOM 0 HB2 PHE A 26 8.087 -1.215 -0.131 1.00 34.13 H new ATOM 0 HB3 PHE A 26 9.700 -0.908 -0.743 1.00 34.13 H new ATOM 0 HD1 PHE A 26 11.554 -0.353 0.858 1.00 51.13 H new ATOM 0 HD2 PHE A 26 7.693 -1.536 2.231 1.00 31.41 H new ATOM 0 HE1 PHE A 26 12.487 -0.829 3.080 1.00 21.25 H new ATOM 0 HE2 PHE A 26 8.630 -2.020 4.448 1.00 14.01 H new ATOM 0 HZ PHE A 26 11.027 -1.661 4.879 1.00 73.24 H new ATOM 400 N ILE A 27 6.347 0.747 0.655 1.00 72.04 N ATOM 401 CA ILE A 27 5.258 0.845 1.635 1.00 64.20 C ATOM 402 C ILE A 27 4.618 -0.541 1.826 1.00 20.23 C ATOM 403 O ILE A 27 3.892 -1.023 0.960 1.00 2.53 O ATOM 404 CB ILE A 27 4.165 1.858 1.191 1.00 62.21 C ATOM 405 CG1 ILE A 27 4.766 3.265 1.010 1.00 32.34 C ATOM 406 CG2 ILE A 27 3.009 1.887 2.196 1.00 42.33 C ATOM 407 CD1 ILE A 27 3.769 4.301 0.526 1.00 11.40 C ATOM 0 H ILE A 27 6.092 0.236 -0.190 1.00 72.04 H new ATOM 0 HA ILE A 27 5.685 1.202 2.572 1.00 64.20 H new ATOM 0 HB ILE A 27 3.770 1.530 0.229 1.00 62.21 H new ATOM 0 HG12 ILE A 27 5.186 3.595 1.960 1.00 32.34 H new ATOM 0 HG13 ILE A 27 5.591 3.209 0.299 1.00 32.34 H new ATOM 0 HG21 ILE A 27 2.257 2.603 1.865 1.00 42.33 H new ATOM 0 HG22 ILE A 27 2.561 0.895 2.265 1.00 42.33 H new ATOM 0 HG23 ILE A 27 3.385 2.184 3.175 1.00 42.33 H new ATOM 0 HD11 ILE A 27 4.267 5.265 0.423 1.00 11.40 H new ATOM 0 HD12 ILE A 27 3.367 3.995 -0.440 1.00 11.40 H new ATOM 0 HD13 ILE A 27 2.956 4.388 1.247 1.00 11.40 H new ATOM 419 N ARG A 28 4.903 -1.193 2.948 1.00 75.45 N ATOM 420 CA ARG A 28 4.461 -2.581 3.155 1.00 65.43 C ATOM 421 C ARG A 28 3.085 -2.684 3.836 1.00 33.14 C ATOM 422 O ARG A 28 2.886 -2.209 4.958 1.00 14.00 O ATOM 423 CB ARG A 28 5.504 -3.363 3.969 1.00 42.14 C ATOM 424 CG ARG A 28 5.057 -4.778 4.334 1.00 74.52 C ATOM 425 CD ARG A 28 6.178 -5.598 4.963 1.00 74.23 C ATOM 426 NE ARG A 28 7.202 -5.983 3.992 1.00 12.20 N ATOM 427 CZ ARG A 28 8.111 -6.895 4.213 1.00 64.23 C ATOM 428 NH1 ARG A 28 8.155 -7.524 5.343 1.00 4.42 N ATOM 429 NH2 ARG A 28 8.978 -7.181 3.300 1.00 33.12 N ATOM 0 H ARG A 28 5.432 -0.795 3.724 1.00 75.45 H new ATOM 0 HA ARG A 28 4.360 -3.020 2.162 1.00 65.43 H new ATOM 0 HB2 ARG A 28 6.431 -3.419 3.398 1.00 42.14 H new ATOM 0 HB3 ARG A 28 5.726 -2.813 4.884 1.00 42.14 H new ATOM 0 HG2 ARG A 28 4.218 -4.723 5.027 1.00 74.52 H new ATOM 0 HG3 ARG A 28 4.698 -5.285 3.438 1.00 74.52 H new ATOM 0 HD2 ARG A 28 6.640 -5.021 5.764 1.00 74.23 H new ATOM 0 HD3 ARG A 28 5.757 -6.495 5.417 1.00 74.23 H new ATOM 0 HE ARG A 28 7.207 -5.511 3.088 1.00 12.20 H new ATOM 0 HH11 ARG A 28 7.475 -7.310 6.073 1.00 4.42 H new ATOM 0 HH12 ARG A 28 8.869 -8.234 5.504 1.00 4.42 H new ATOM 0 HH21 ARG A 28 8.954 -6.695 2.404 1.00 33.12 H new ATOM 0 HH22 ARG A 28 9.687 -7.893 3.475 1.00 33.12 H new ATOM 443 N LEU A 29 2.139 -3.313 3.137 1.00 72.42 N ATOM 444 CA LEU A 29 0.834 -3.665 3.711 1.00 11.15 C ATOM 445 C LEU A 29 0.862 -5.103 4.262 1.00 11.52 C ATOM 446 O LEU A 29 1.903 -5.757 4.253 1.00 22.25 O ATOM 447 CB LEU A 29 -0.283 -3.528 2.660 1.00 75.45 C ATOM 448 CG LEU A 29 -0.645 -2.091 2.237 1.00 32.25 C ATOM 449 CD1 LEU A 29 0.513 -1.411 1.508 1.00 33.53 C ATOM 450 CD2 LEU A 29 -1.901 -2.094 1.369 1.00 25.24 C ATOM 0 H LEU A 29 2.252 -3.593 2.163 1.00 72.42 H new ATOM 0 HA LEU A 29 0.627 -2.974 4.528 1.00 11.15 H new ATOM 0 HB2 LEU A 29 0.014 -4.083 1.770 1.00 75.45 H new ATOM 0 HB3 LEU A 29 -1.181 -4.007 3.050 1.00 75.45 H new ATOM 0 HG LEU A 29 -0.845 -1.517 3.142 1.00 32.25 H new ATOM 0 HD11 LEU A 29 0.221 -0.400 1.225 1.00 33.53 H new ATOM 0 HD12 LEU A 29 1.381 -1.368 2.165 1.00 33.53 H new ATOM 0 HD13 LEU A 29 0.764 -1.980 0.613 1.00 33.53 H new ATOM 0 HD21 LEU A 29 -2.145 -1.072 1.078 1.00 25.24 H new ATOM 0 HD22 LEU A 29 -1.725 -2.694 0.476 1.00 25.24 H new ATOM 0 HD23 LEU A 29 -2.732 -2.518 1.933 1.00 25.24 H new ATOM 462 N LYS A 30 -0.280 -5.594 4.740 1.00 13.22 N ATOM 463 CA LYS A 30 -0.353 -6.943 5.316 1.00 13.24 C ATOM 464 C LYS A 30 -1.783 -7.506 5.285 1.00 21.30 C ATOM 465 O LYS A 30 -2.744 -6.813 5.616 1.00 64.51 O ATOM 466 CB LYS A 30 0.185 -6.916 6.754 1.00 51.22 C ATOM 467 CG LYS A 30 0.067 -8.245 7.497 1.00 51.12 C ATOM 468 CD LYS A 30 0.923 -8.262 8.760 1.00 30.43 C ATOM 469 CE LYS A 30 0.596 -7.107 9.699 1.00 41.42 C ATOM 470 NZ LYS A 30 1.523 -7.060 10.858 1.00 22.24 N ATOM 0 H LYS A 30 -1.164 -5.085 4.742 1.00 13.22 H new ATOM 0 HA LYS A 30 0.263 -7.605 4.707 1.00 13.24 H new ATOM 0 HB2 LYS A 30 1.233 -6.618 6.731 1.00 51.22 H new ATOM 0 HB3 LYS A 30 -0.351 -6.151 7.315 1.00 51.22 H new ATOM 0 HG2 LYS A 30 -0.975 -8.423 7.761 1.00 51.12 H new ATOM 0 HG3 LYS A 30 0.373 -9.058 6.839 1.00 51.12 H new ATOM 0 HD2 LYS A 30 0.774 -9.206 9.284 1.00 30.43 H new ATOM 0 HD3 LYS A 30 1.976 -8.214 8.483 1.00 30.43 H new ATOM 0 HE2 LYS A 30 0.651 -6.166 9.151 1.00 41.42 H new ATOM 0 HE3 LYS A 30 -0.429 -7.208 10.057 1.00 41.42 H new ATOM 0 HZ1 LYS A 30 1.218 -6.315 11.517 1.00 22.24 H new ATOM 0 HZ2 LYS A 30 1.515 -7.978 11.346 1.00 22.24 H new ATOM 0 HZ3 LYS A 30 2.486 -6.854 10.524 1.00 22.24 H new ATOM 484 N ASN A 31 -1.906 -8.771 4.877 1.00 41.23 N ATOM 485 CA ASN A 31 -3.201 -9.462 4.825 1.00 13.13 C ATOM 486 C ASN A 31 -3.314 -10.527 5.930 1.00 64.24 C ATOM 487 O ASN A 31 -2.583 -11.520 5.928 1.00 25.33 O ATOM 488 CB ASN A 31 -3.389 -10.120 3.452 1.00 60.45 C ATOM 489 CG ASN A 31 -4.681 -10.912 3.359 1.00 31.01 C ATOM 490 OD1 ASN A 31 -5.674 -10.578 3.994 1.00 4.45 O ATOM 491 ND2 ASN A 31 -4.678 -11.974 2.582 1.00 52.04 N ATOM 0 H ASN A 31 -1.118 -9.344 4.575 1.00 41.23 H new ATOM 0 HA ASN A 31 -3.983 -8.720 4.986 1.00 13.13 H new ATOM 0 HB2 ASN A 31 -3.382 -9.351 2.680 1.00 60.45 H new ATOM 0 HB3 ASN A 31 -2.546 -10.781 3.251 1.00 60.45 H new ATOM 0 HD21 ASN A 31 -5.519 -12.545 2.496 1.00 52.04 H new ATOM 0 HD22 ASN A 31 -3.835 -12.226 2.066 1.00 52.04 H new ATOM 498 N THR A 32 -4.243 -10.323 6.862 1.00 60.21 N ATOM 499 CA THR A 32 -4.446 -11.269 7.973 1.00 5.14 C ATOM 500 C THR A 32 -5.672 -12.171 7.749 1.00 64.22 C ATOM 501 O THR A 32 -6.157 -12.816 8.683 1.00 62.11 O ATOM 502 CB THR A 32 -4.602 -10.529 9.328 1.00 12.25 C ATOM 503 OG1 THR A 32 -4.787 -11.479 10.397 1.00 61.11 O ATOM 504 CG2 THR A 32 -5.783 -9.562 9.299 1.00 64.42 C ATOM 0 H THR A 32 -4.868 -9.517 6.876 1.00 60.21 H new ATOM 0 HA THR A 32 -3.554 -11.895 8.004 1.00 5.14 H new ATOM 0 HB THR A 32 -3.690 -9.957 9.500 1.00 12.25 H new ATOM 0 HG1 THR A 32 -5.546 -12.063 10.188 1.00 61.11 H new ATOM 0 HG21 THR A 32 -5.865 -9.059 10.263 1.00 64.42 H new ATOM 0 HG22 THR A 32 -5.627 -8.821 8.515 1.00 64.42 H new ATOM 0 HG23 THR A 32 -6.701 -10.115 9.098 1.00 64.42 H new ATOM 512 N SER A 33 -6.158 -12.235 6.509 1.00 31.32 N ATOM 513 CA SER A 33 -7.326 -13.069 6.174 1.00 2.45 C ATOM 514 C SER A 33 -7.116 -14.535 6.589 1.00 3.12 C ATOM 515 O SER A 33 -5.987 -15.020 6.659 1.00 63.11 O ATOM 516 CB SER A 33 -7.629 -13.005 4.670 1.00 62.51 C ATOM 517 OG SER A 33 -6.573 -13.555 3.898 1.00 42.35 O ATOM 0 H SER A 33 -5.767 -11.723 5.718 1.00 31.32 H new ATOM 0 HA SER A 33 -8.173 -12.669 6.732 1.00 2.45 H new ATOM 0 HB2 SER A 33 -8.552 -13.546 4.461 1.00 62.51 H new ATOM 0 HB3 SER A 33 -7.793 -11.968 4.376 1.00 62.51 H new ATOM 0 HG SER A 33 -6.906 -14.323 3.388 1.00 42.35 H new ATOM 523 N GLU A 34 -8.213 -15.235 6.874 1.00 12.23 N ATOM 524 CA GLU A 34 -8.147 -16.643 7.296 1.00 13.32 C ATOM 525 C GLU A 34 -8.091 -17.600 6.090 1.00 32.14 C ATOM 526 O GLU A 34 -8.017 -18.821 6.255 1.00 3.12 O ATOM 527 CB GLU A 34 -9.353 -16.975 8.184 1.00 40.44 C ATOM 528 CG GLU A 34 -9.474 -16.071 9.408 1.00 30.32 C ATOM 529 CD GLU A 34 -10.633 -16.453 10.315 1.00 15.15 C ATOM 530 OE1 GLU A 34 -11.767 -15.983 10.077 1.00 41.51 O ATOM 531 OE2 GLU A 34 -10.417 -17.222 11.277 1.00 53.30 O ATOM 0 H GLU A 34 -9.158 -14.856 6.822 1.00 12.23 H new ATOM 0 HA GLU A 34 -7.227 -16.781 7.864 1.00 13.32 H new ATOM 0 HB2 GLU A 34 -10.264 -16.895 7.591 1.00 40.44 H new ATOM 0 HB3 GLU A 34 -9.278 -18.011 8.513 1.00 40.44 H new ATOM 0 HG2 GLU A 34 -8.545 -16.113 9.977 1.00 30.32 H new ATOM 0 HG3 GLU A 34 -9.601 -15.039 9.080 1.00 30.32 H new ATOM 538 N GLN A 35 -8.117 -17.035 4.884 1.00 72.04 N ATOM 539 CA GLN A 35 -8.075 -17.822 3.644 1.00 34.44 C ATOM 540 C GLN A 35 -7.667 -16.927 2.457 1.00 22.13 C ATOM 541 O GLN A 35 -7.746 -15.702 2.544 1.00 4.15 O ATOM 542 CB GLN A 35 -9.451 -18.470 3.389 1.00 71.03 C ATOM 543 CG GLN A 35 -9.478 -19.446 2.214 1.00 42.42 C ATOM 544 CD GLN A 35 -10.817 -20.153 2.055 1.00 54.20 C ATOM 545 OE1 GLN A 35 -11.872 -19.611 2.376 1.00 71.11 O ATOM 546 NE2 GLN A 35 -10.785 -21.377 1.566 1.00 62.12 N ATOM 0 H GLN A 35 -8.167 -16.027 4.735 1.00 72.04 H new ATOM 0 HA GLN A 35 -7.331 -18.612 3.748 1.00 34.44 H new ATOM 0 HB2 GLN A 35 -9.764 -18.996 4.291 1.00 71.03 H new ATOM 0 HB3 GLN A 35 -10.183 -17.682 3.209 1.00 71.03 H new ATOM 0 HG2 GLN A 35 -9.248 -18.906 1.296 1.00 42.42 H new ATOM 0 HG3 GLN A 35 -8.694 -20.191 2.350 1.00 42.42 H new ATOM 0 HE21 GLN A 35 -9.893 -21.800 1.309 1.00 62.12 H new ATOM 0 HE22 GLN A 35 -11.652 -21.901 1.445 1.00 62.12 H new ATOM 555 N ASP A 36 -7.211 -17.538 1.364 1.00 12.32 N ATOM 556 CA ASP A 36 -6.827 -16.783 0.162 1.00 13.21 C ATOM 557 C ASP A 36 -8.014 -15.971 -0.390 1.00 32.25 C ATOM 558 O ASP A 36 -8.984 -16.538 -0.894 1.00 72.40 O ATOM 559 CB ASP A 36 -6.300 -17.732 -0.922 1.00 13.21 C ATOM 560 CG ASP A 36 -5.134 -18.585 -0.447 1.00 73.11 C ATOM 561 OD1 ASP A 36 -4.389 -18.149 0.459 1.00 64.15 O ATOM 562 OD2 ASP A 36 -4.946 -19.696 -0.989 1.00 73.23 O ATOM 0 H ASP A 36 -7.097 -18.548 1.282 1.00 12.32 H new ATOM 0 HA ASP A 36 -6.037 -16.088 0.446 1.00 13.21 H new ATOM 0 HB2 ASP A 36 -7.109 -18.383 -1.252 1.00 13.21 H new ATOM 0 HB3 ASP A 36 -5.987 -17.148 -1.788 1.00 13.21 H new ATOM 567 N GLN A 37 -7.930 -14.645 -0.294 1.00 14.41 N ATOM 568 CA GLN A 37 -9.030 -13.764 -0.713 1.00 72.13 C ATOM 569 C GLN A 37 -8.730 -13.069 -2.053 1.00 23.45 C ATOM 570 O GLN A 37 -7.646 -12.518 -2.244 1.00 74.12 O ATOM 571 CB GLN A 37 -9.296 -12.698 0.364 1.00 71.22 C ATOM 572 CG GLN A 37 -9.790 -13.260 1.693 1.00 5.24 C ATOM 573 CD GLN A 37 -11.148 -13.935 1.584 1.00 42.12 C ATOM 574 OE1 GLN A 37 -11.249 -15.130 1.341 1.00 75.11 O ATOM 575 NE2 GLN A 37 -12.206 -13.168 1.755 1.00 15.22 N ATOM 0 H GLN A 37 -7.114 -14.153 0.070 1.00 14.41 H new ATOM 0 HA GLN A 37 -9.913 -14.389 -0.844 1.00 72.13 H new ATOM 0 HB2 GLN A 37 -8.378 -12.137 0.539 1.00 71.22 H new ATOM 0 HB3 GLN A 37 -10.034 -11.991 -0.015 1.00 71.22 H new ATOM 0 HG2 GLN A 37 -9.062 -13.979 2.070 1.00 5.24 H new ATOM 0 HG3 GLN A 37 -9.849 -12.453 2.423 1.00 5.24 H new ATOM 0 HE21 GLN A 37 -12.089 -12.175 1.957 1.00 15.22 H new ATOM 0 HE22 GLN A 37 -13.142 -13.567 1.686 1.00 15.22 H new ATOM 584 N PRO A 38 -9.688 -13.086 -3.005 1.00 32.21 N ATOM 585 CA PRO A 38 -9.560 -12.338 -4.271 1.00 41.43 C ATOM 586 C PRO A 38 -9.279 -10.843 -4.037 1.00 22.41 C ATOM 587 O PRO A 38 -9.947 -10.206 -3.222 1.00 43.43 O ATOM 588 CB PRO A 38 -10.930 -12.538 -4.941 1.00 32.33 C ATOM 589 CG PRO A 38 -11.453 -13.808 -4.357 1.00 21.32 C ATOM 590 CD PRO A 38 -10.953 -13.845 -2.937 1.00 3.32 C ATOM 0 HA PRO A 38 -8.724 -12.690 -4.875 1.00 41.43 H new ATOM 0 HB2 PRO A 38 -11.598 -11.702 -4.734 1.00 32.33 H new ATOM 0 HB3 PRO A 38 -10.835 -12.610 -6.024 1.00 32.33 H new ATOM 0 HG2 PRO A 38 -12.542 -13.833 -4.388 1.00 21.32 H new ATOM 0 HG3 PRO A 38 -11.098 -14.672 -4.919 1.00 21.32 H new ATOM 0 HD2 PRO A 38 -11.662 -13.385 -2.248 1.00 3.32 H new ATOM 0 HD3 PRO A 38 -10.792 -14.867 -2.593 1.00 3.32 H new ATOM 598 N MET A 39 -8.295 -10.292 -4.755 1.00 71.12 N ATOM 599 CA MET A 39 -7.868 -8.896 -4.550 1.00 3.22 C ATOM 600 C MET A 39 -9.055 -7.911 -4.614 1.00 74.40 C ATOM 601 O MET A 39 -9.478 -7.368 -3.593 1.00 41.23 O ATOM 602 CB MET A 39 -6.801 -8.511 -5.588 1.00 24.10 C ATOM 603 CG MET A 39 -6.216 -7.103 -5.423 1.00 61.03 C ATOM 604 SD MET A 39 -5.037 -6.953 -4.055 1.00 43.33 S ATOM 605 CE MET A 39 -6.107 -6.879 -2.618 1.00 11.33 C ATOM 0 H MET A 39 -7.778 -10.786 -5.482 1.00 71.12 H new ATOM 0 HA MET A 39 -7.442 -8.828 -3.549 1.00 3.22 H new ATOM 0 HB2 MET A 39 -5.988 -9.235 -5.536 1.00 24.10 H new ATOM 0 HB3 MET A 39 -7.238 -8.593 -6.583 1.00 24.10 H new ATOM 0 HG2 MET A 39 -5.720 -6.815 -6.350 1.00 61.03 H new ATOM 0 HG3 MET A 39 -7.032 -6.397 -5.266 1.00 61.03 H new ATOM 0 HE1 MET A 39 -5.790 -6.062 -1.970 1.00 11.33 H new ATOM 0 HE2 MET A 39 -7.135 -6.710 -2.938 1.00 11.33 H new ATOM 0 HE3 MET A 39 -6.048 -7.820 -2.071 1.00 11.33 H new ATOM 615 N GLY A 40 -9.588 -7.687 -5.814 1.00 31.24 N ATOM 616 CA GLY A 40 -10.703 -6.758 -5.973 1.00 62.12 C ATOM 617 C GLY A 40 -10.253 -5.321 -6.236 1.00 51.23 C ATOM 618 O GLY A 40 -9.063 -5.007 -6.168 1.00 42.30 O ATOM 0 H GLY A 40 -9.271 -8.129 -6.677 1.00 31.24 H new ATOM 0 HA2 GLY A 40 -11.332 -7.092 -6.798 1.00 62.12 H new ATOM 0 HA3 GLY A 40 -11.318 -6.781 -5.074 1.00 62.12 H new ATOM 622 N GLY A 41 -11.210 -4.450 -6.545 1.00 50.41 N ATOM 623 CA GLY A 41 -10.899 -3.051 -6.806 1.00 74.51 C ATOM 624 C GLY A 41 -10.494 -2.268 -5.557 1.00 23.14 C ATOM 625 O GLY A 41 -11.343 -1.700 -4.873 1.00 73.23 O ATOM 0 H GLY A 41 -12.199 -4.687 -6.620 1.00 50.41 H new ATOM 0 HA2 GLY A 41 -10.091 -2.998 -7.535 1.00 74.51 H new ATOM 0 HA3 GLY A 41 -11.768 -2.573 -7.258 1.00 74.51 H new ATOM 629 N TRP A 42 -9.199 -2.264 -5.245 1.00 71.24 N ATOM 630 CA TRP A 42 -8.651 -1.404 -4.183 1.00 64.20 C ATOM 631 C TRP A 42 -7.944 -0.182 -4.793 1.00 4.33 C ATOM 632 O TRP A 42 -7.500 -0.219 -5.941 1.00 45.22 O ATOM 633 CB TRP A 42 -7.664 -2.185 -3.302 1.00 12.23 C ATOM 634 CG TRP A 42 -8.294 -3.297 -2.512 1.00 62.35 C ATOM 635 CD1 TRP A 42 -8.827 -4.449 -3.006 1.00 33.44 C ATOM 636 CD2 TRP A 42 -8.441 -3.368 -1.086 1.00 12.02 C ATOM 637 NE1 TRP A 42 -9.301 -5.229 -1.982 1.00 2.00 N ATOM 638 CE2 TRP A 42 -9.077 -4.589 -0.792 1.00 4.01 C ATOM 639 CE3 TRP A 42 -8.100 -2.518 -0.030 1.00 70.12 C ATOM 640 CZ2 TRP A 42 -9.377 -4.981 0.510 1.00 35.24 C ATOM 641 CZ3 TRP A 42 -8.399 -2.909 1.263 1.00 41.54 C ATOM 642 CH2 TRP A 42 -9.031 -4.130 1.524 1.00 32.12 C ATOM 0 H TRP A 42 -8.503 -2.847 -5.711 1.00 71.24 H new ATOM 0 HA TRP A 42 -9.481 -1.065 -3.564 1.00 64.20 H new ATOM 0 HB2 TRP A 42 -6.880 -2.602 -3.935 1.00 12.23 H new ATOM 0 HB3 TRP A 42 -7.182 -1.492 -2.613 1.00 12.23 H new ATOM 0 HD1 TRP A 42 -8.870 -4.711 -4.053 1.00 33.44 H new ATOM 0 HE1 TRP A 42 -9.748 -6.139 -2.090 1.00 2.00 H new ATOM 0 HE3 TRP A 42 -7.612 -1.573 -0.220 1.00 70.12 H new ATOM 0 HZ2 TRP A 42 -9.865 -5.923 0.712 1.00 35.24 H new ATOM 0 HZ3 TRP A 42 -8.140 -2.260 2.086 1.00 41.54 H new ATOM 0 HH2 TRP A 42 -9.250 -4.406 2.545 1.00 32.12 H new ATOM 653 N GLU A 43 -7.828 0.896 -4.022 1.00 5.32 N ATOM 654 CA GLU A 43 -7.202 2.128 -4.511 1.00 74.31 C ATOM 655 C GLU A 43 -6.458 2.866 -3.386 1.00 61.50 C ATOM 656 O GLU A 43 -7.069 3.326 -2.423 1.00 42.31 O ATOM 657 CB GLU A 43 -8.268 3.046 -5.126 1.00 12.20 C ATOM 658 CG GLU A 43 -7.700 4.250 -5.870 1.00 10.53 C ATOM 659 CD GLU A 43 -8.790 5.146 -6.433 1.00 21.22 C ATOM 660 OE1 GLU A 43 -9.631 4.644 -7.210 1.00 64.12 O ATOM 661 OE2 GLU A 43 -8.827 6.344 -6.086 1.00 30.24 O ATOM 0 H GLU A 43 -8.157 0.945 -3.058 1.00 5.32 H new ATOM 0 HA GLU A 43 -6.471 1.856 -5.273 1.00 74.31 H new ATOM 0 HB2 GLU A 43 -8.880 2.463 -5.814 1.00 12.20 H new ATOM 0 HB3 GLU A 43 -8.928 3.400 -4.334 1.00 12.20 H new ATOM 0 HG2 GLU A 43 -7.070 4.828 -5.194 1.00 10.53 H new ATOM 0 HG3 GLU A 43 -7.061 3.904 -6.683 1.00 10.53 H new ATOM 668 N MET A 44 -5.136 2.968 -3.513 1.00 15.44 N ATOM 669 CA MET A 44 -4.308 3.654 -2.511 1.00 13.43 C ATOM 670 C MET A 44 -4.069 5.128 -2.884 1.00 53.04 C ATOM 671 O MET A 44 -3.410 5.423 -3.878 1.00 63.24 O ATOM 672 CB MET A 44 -2.959 2.936 -2.362 1.00 73.14 C ATOM 673 CG MET A 44 -2.006 3.605 -1.375 1.00 13.44 C ATOM 674 SD MET A 44 -0.422 2.754 -1.246 1.00 75.00 S ATOM 675 CE MET A 44 0.168 2.857 -2.937 1.00 13.43 C ATOM 0 H MET A 44 -4.611 2.585 -4.299 1.00 15.44 H new ATOM 0 HA MET A 44 -4.847 3.627 -1.564 1.00 13.43 H new ATOM 0 HB2 MET A 44 -3.138 1.910 -2.040 1.00 73.14 H new ATOM 0 HB3 MET A 44 -2.477 2.884 -3.338 1.00 73.14 H new ATOM 0 HG2 MET A 44 -1.835 4.636 -1.684 1.00 13.44 H new ATOM 0 HG3 MET A 44 -2.475 3.641 -0.392 1.00 13.44 H new ATOM 0 HE1 MET A 44 1.218 3.151 -2.939 1.00 13.43 H new ATOM 0 HE2 MET A 44 0.062 1.885 -3.419 1.00 13.43 H new ATOM 0 HE3 MET A 44 -0.417 3.598 -3.482 1.00 13.43 H new ATOM 685 N ILE A 45 -4.607 6.044 -2.081 1.00 64.13 N ATOM 686 CA ILE A 45 -4.391 7.485 -2.279 1.00 72.23 C ATOM 687 C ILE A 45 -3.347 8.011 -1.282 1.00 51.30 C ATOM 688 O ILE A 45 -3.621 8.140 -0.090 1.00 12.44 O ATOM 689 CB ILE A 45 -5.706 8.306 -2.121 1.00 70.41 C ATOM 690 CG1 ILE A 45 -6.740 7.924 -3.199 1.00 43.51 C ATOM 691 CG2 ILE A 45 -5.417 9.809 -2.174 1.00 51.04 C ATOM 692 CD1 ILE A 45 -7.354 6.550 -3.025 1.00 15.01 C ATOM 0 H ILE A 45 -5.199 5.817 -1.282 1.00 64.13 H new ATOM 0 HA ILE A 45 -4.032 7.613 -3.300 1.00 72.23 H new ATOM 0 HB ILE A 45 -6.129 8.065 -1.146 1.00 70.41 H new ATOM 0 HG12 ILE A 45 -7.538 8.667 -3.198 1.00 43.51 H new ATOM 0 HG13 ILE A 45 -6.261 7.972 -4.177 1.00 43.51 H new ATOM 0 HG21 ILE A 45 -6.349 10.363 -2.062 1.00 51.04 H new ATOM 0 HG22 ILE A 45 -4.736 10.077 -1.366 1.00 51.04 H new ATOM 0 HG23 ILE A 45 -4.960 10.058 -3.132 1.00 51.04 H new ATOM 0 HD11 ILE A 45 -8.069 6.367 -3.827 1.00 15.01 H new ATOM 0 HD12 ILE A 45 -6.569 5.794 -3.058 1.00 15.01 H new ATOM 0 HD13 ILE A 45 -7.866 6.499 -2.064 1.00 15.01 H new ATOM 704 N ARG A 46 -2.147 8.307 -1.770 1.00 51.40 N ATOM 705 CA ARG A 46 -1.057 8.774 -0.908 1.00 54.12 C ATOM 706 C ARG A 46 -0.914 10.305 -0.960 1.00 74.42 C ATOM 707 O ARG A 46 -0.736 10.885 -2.034 1.00 31.32 O ATOM 708 CB ARG A 46 0.262 8.110 -1.327 1.00 11.21 C ATOM 709 CG ARG A 46 1.412 8.367 -0.362 1.00 35.00 C ATOM 710 CD ARG A 46 2.705 7.703 -0.825 1.00 31.11 C ATOM 711 NE ARG A 46 3.769 7.802 0.175 1.00 13.44 N ATOM 712 CZ ARG A 46 5.040 7.911 -0.111 1.00 41.23 C ATOM 713 NH1 ARG A 46 5.432 8.016 -1.342 1.00 54.22 N ATOM 714 NH2 ARG A 46 5.916 7.933 0.843 1.00 44.23 N ATOM 0 H ARG A 46 -1.900 8.233 -2.757 1.00 51.40 H new ATOM 0 HA ARG A 46 -1.296 8.494 0.118 1.00 54.12 H new ATOM 0 HB2 ARG A 46 0.106 7.035 -1.413 1.00 11.21 H new ATOM 0 HB3 ARG A 46 0.542 8.472 -2.316 1.00 11.21 H new ATOM 0 HG2 ARG A 46 1.571 9.441 -0.265 1.00 35.00 H new ATOM 0 HG3 ARG A 46 1.146 7.993 0.627 1.00 35.00 H new ATOM 0 HD2 ARG A 46 2.513 6.653 -1.045 1.00 31.11 H new ATOM 0 HD3 ARG A 46 3.037 8.168 -1.753 1.00 31.11 H new ATOM 0 HE ARG A 46 3.501 7.785 1.159 1.00 13.44 H new ATOM 0 HH11 ARG A 46 4.747 8.014 -2.097 1.00 54.22 H new ATOM 0 HH12 ARG A 46 6.426 8.101 -1.555 1.00 54.22 H new ATOM 0 HH21 ARG A 46 5.614 7.865 1.815 1.00 44.23 H new ATOM 0 HH22 ARG A 46 6.908 8.018 0.622 1.00 44.23 H new ATOM 728 N LYS A 47 -0.991 10.952 0.205 1.00 21.23 N ATOM 729 CA LYS A 47 -0.845 12.411 0.298 1.00 60.51 C ATOM 730 C LYS A 47 0.309 12.805 1.232 1.00 23.42 C ATOM 731 O LYS A 47 0.285 12.511 2.426 1.00 31.43 O ATOM 732 CB LYS A 47 -2.144 13.059 0.800 1.00 30.33 C ATOM 733 CG LYS A 47 -3.374 12.706 -0.028 1.00 14.50 C ATOM 734 CD LYS A 47 -4.573 13.584 0.327 1.00 42.45 C ATOM 735 CE LYS A 47 -4.921 13.526 1.812 1.00 11.22 C ATOM 736 NZ LYS A 47 -6.113 14.356 2.131 1.00 43.34 N ATOM 0 H LYS A 47 -1.154 10.490 1.100 1.00 21.23 H new ATOM 0 HA LYS A 47 -0.622 12.773 -0.706 1.00 60.51 H new ATOM 0 HB2 LYS A 47 -2.314 12.754 1.833 1.00 30.33 H new ATOM 0 HB3 LYS A 47 -2.020 14.142 0.804 1.00 30.33 H new ATOM 0 HG2 LYS A 47 -3.143 12.819 -1.087 1.00 14.50 H new ATOM 0 HG3 LYS A 47 -3.631 11.659 0.132 1.00 14.50 H new ATOM 0 HD2 LYS A 47 -4.359 14.616 0.047 1.00 42.45 H new ATOM 0 HD3 LYS A 47 -5.437 13.268 -0.258 1.00 42.45 H new ATOM 0 HE2 LYS A 47 -5.110 12.492 2.101 1.00 11.22 H new ATOM 0 HE3 LYS A 47 -4.070 13.871 2.399 1.00 11.22 H new ATOM 0 HZ1 LYS A 47 -6.319 14.292 3.148 1.00 43.34 H new ATOM 0 HZ2 LYS A 47 -5.924 15.347 1.878 1.00 43.34 H new ATOM 0 HZ3 LYS A 47 -6.931 14.011 1.590 1.00 43.34 H new ATOM 750 N ILE A 48 1.322 13.462 0.675 1.00 13.02 N ATOM 751 CA ILE A 48 2.441 13.987 1.472 1.00 53.11 C ATOM 752 C ILE A 48 2.307 15.507 1.662 1.00 51.43 C ATOM 753 O ILE A 48 2.777 16.070 2.653 1.00 0.23 O ATOM 754 CB ILE A 48 3.806 13.660 0.814 1.00 70.25 C ATOM 755 CG1 ILE A 48 4.967 14.168 1.687 1.00 13.45 C ATOM 756 CG2 ILE A 48 3.886 14.247 -0.596 1.00 34.11 C ATOM 757 CD1 ILE A 48 6.336 13.859 1.124 1.00 42.11 C ATOM 0 H ILE A 48 1.397 13.647 -0.325 1.00 13.02 H new ATOM 0 HA ILE A 48 2.403 13.501 2.447 1.00 53.11 H new ATOM 0 HB ILE A 48 3.892 12.577 0.732 1.00 70.25 H new ATOM 0 HG12 ILE A 48 4.871 15.247 1.811 1.00 13.45 H new ATOM 0 HG13 ILE A 48 4.884 13.724 2.679 1.00 13.45 H new ATOM 0 HG21 ILE A 48 4.853 14.004 -1.037 1.00 34.11 H new ATOM 0 HG22 ILE A 48 3.091 13.826 -1.211 1.00 34.11 H new ATOM 0 HG23 ILE A 48 3.771 15.330 -0.546 1.00 34.11 H new ATOM 0 HD11 ILE A 48 7.102 14.248 1.795 1.00 42.11 H new ATOM 0 HD12 ILE A 48 6.454 12.780 1.026 1.00 42.11 H new ATOM 0 HD13 ILE A 48 6.440 14.326 0.145 1.00 42.11 H new ATOM 769 N GLY A 49 1.646 16.156 0.705 1.00 74.31 N ATOM 770 CA GLY A 49 1.431 17.596 0.767 1.00 14.21 C ATOM 771 C GLY A 49 0.072 18.003 0.207 1.00 63.25 C ATOM 772 O GLY A 49 -0.935 17.343 0.469 1.00 14.44 O ATOM 0 H GLY A 49 1.251 15.706 -0.121 1.00 74.31 H new ATOM 0 HA2 GLY A 49 1.509 17.929 1.802 1.00 14.21 H new ATOM 0 HA3 GLY A 49 2.218 18.103 0.209 1.00 14.21 H new ATOM 776 N ASP A 50 0.045 19.078 -0.572 1.00 34.42 N ATOM 777 CA ASP A 50 -1.201 19.570 -1.169 1.00 35.22 C ATOM 778 C ASP A 50 -1.701 18.630 -2.288 1.00 33.14 C ATOM 779 O ASP A 50 -2.902 18.369 -2.411 1.00 30.52 O ATOM 780 CB ASP A 50 -0.979 20.988 -1.707 1.00 43.43 C ATOM 781 CG ASP A 50 -0.380 21.901 -0.651 1.00 42.01 C ATOM 782 OD1 ASP A 50 -1.128 22.382 0.224 1.00 14.10 O ATOM 783 OD2 ASP A 50 0.851 22.115 -0.672 1.00 32.05 O ATOM 0 H ASP A 50 0.870 19.629 -0.808 1.00 34.42 H new ATOM 0 HA ASP A 50 -1.973 19.592 -0.400 1.00 35.22 H new ATOM 0 HB2 ASP A 50 -0.318 20.950 -2.573 1.00 43.43 H new ATOM 0 HB3 ASP A 50 -1.928 21.400 -2.049 1.00 43.43 H new ATOM 788 N THR A 51 -0.770 18.130 -3.099 1.00 5.23 N ATOM 789 CA THR A 51 -1.098 17.187 -4.182 1.00 5.32 C ATOM 790 C THR A 51 -1.300 15.757 -3.662 1.00 12.42 C ATOM 791 O THR A 51 -0.775 15.379 -2.611 1.00 51.14 O ATOM 792 CB THR A 51 0.005 17.156 -5.270 1.00 21.22 C ATOM 793 OG1 THR A 51 -0.351 16.232 -6.314 1.00 24.20 O ATOM 794 CG2 THR A 51 1.356 16.759 -4.679 1.00 22.41 C ATOM 0 H THR A 51 0.222 18.359 -3.031 1.00 5.23 H new ATOM 0 HA THR A 51 -2.031 17.549 -4.614 1.00 5.32 H new ATOM 0 HB THR A 51 0.090 18.161 -5.684 1.00 21.22 H new ATOM 0 HG1 THR A 51 0.352 16.222 -6.996 1.00 24.20 H new ATOM 0 HG21 THR A 51 2.109 16.746 -5.467 1.00 22.41 H new ATOM 0 HG22 THR A 51 1.644 17.480 -3.914 1.00 22.41 H new ATOM 0 HG23 THR A 51 1.281 15.767 -4.233 1.00 22.41 H new ATOM 802 N SER A 52 -2.047 14.956 -4.422 1.00 64.01 N ATOM 803 CA SER A 52 -2.313 13.554 -4.061 1.00 72.35 C ATOM 804 C SER A 52 -2.112 12.621 -5.261 1.00 3.01 C ATOM 805 O SER A 52 -2.274 13.025 -6.415 1.00 2.51 O ATOM 806 CB SER A 52 -3.746 13.393 -3.538 1.00 3.01 C ATOM 807 OG SER A 52 -4.697 13.628 -4.564 1.00 73.04 O ATOM 0 H SER A 52 -2.482 15.251 -5.296 1.00 64.01 H new ATOM 0 HA SER A 52 -1.604 13.282 -3.279 1.00 72.35 H new ATOM 0 HB2 SER A 52 -3.879 12.388 -3.139 1.00 3.01 H new ATOM 0 HB3 SER A 52 -3.916 14.088 -2.715 1.00 3.01 H new ATOM 0 HG SER A 52 -5.601 13.517 -4.203 1.00 73.04 H new ATOM 813 N VAL A 53 -1.766 11.366 -4.986 1.00 34.44 N ATOM 814 CA VAL A 53 -1.572 10.361 -6.041 1.00 12.23 C ATOM 815 C VAL A 53 -2.251 9.028 -5.676 1.00 34.04 C ATOM 816 O VAL A 53 -2.209 8.599 -4.523 1.00 34.05 O ATOM 817 CB VAL A 53 -0.061 10.134 -6.321 1.00 53.23 C ATOM 818 CG1 VAL A 53 0.678 9.743 -5.041 1.00 41.01 C ATOM 819 CG2 VAL A 53 0.147 9.088 -7.418 1.00 62.32 C ATOM 0 H VAL A 53 -1.613 11.015 -4.041 1.00 34.44 H new ATOM 0 HA VAL A 53 -2.040 10.745 -6.947 1.00 12.23 H new ATOM 0 HB VAL A 53 0.358 11.075 -6.677 1.00 53.23 H new ATOM 0 HG11 VAL A 53 1.734 9.590 -5.263 1.00 41.01 H new ATOM 0 HG12 VAL A 53 0.574 10.539 -4.303 1.00 41.01 H new ATOM 0 HG13 VAL A 53 0.253 8.822 -4.643 1.00 41.01 H new ATOM 0 HG21 VAL A 53 1.214 8.951 -7.592 1.00 62.32 H new ATOM 0 HG22 VAL A 53 -0.295 8.141 -7.107 1.00 62.32 H new ATOM 0 HG23 VAL A 53 -0.330 9.426 -8.338 1.00 62.32 H new ATOM 829 N SER A 54 -2.884 8.384 -6.656 1.00 72.05 N ATOM 830 CA SER A 54 -3.640 7.142 -6.410 1.00 73.21 C ATOM 831 C SER A 54 -2.975 5.914 -7.056 1.00 12.24 C ATOM 832 O SER A 54 -2.016 6.035 -7.822 1.00 3.53 O ATOM 833 CB SER A 54 -5.076 7.281 -6.935 1.00 72.04 C ATOM 834 OG SER A 54 -5.098 7.518 -8.336 1.00 31.22 O ATOM 0 H SER A 54 -2.892 8.695 -7.627 1.00 72.05 H new ATOM 0 HA SER A 54 -3.651 6.986 -5.331 1.00 73.21 H new ATOM 0 HB2 SER A 54 -5.636 6.374 -6.710 1.00 72.04 H new ATOM 0 HB3 SER A 54 -5.576 8.101 -6.418 1.00 72.04 H new ATOM 0 HG SER A 54 -6.026 7.600 -8.639 1.00 31.22 H new ATOM 840 N TYR A 55 -3.499 4.728 -6.730 1.00 60.42 N ATOM 841 CA TYR A 55 -2.992 3.461 -7.281 1.00 74.55 C ATOM 842 C TYR A 55 -4.033 2.336 -7.142 1.00 12.43 C ATOM 843 O TYR A 55 -4.371 1.928 -6.030 1.00 45.23 O ATOM 844 CB TYR A 55 -1.693 3.054 -6.565 1.00 71.51 C ATOM 845 CG TYR A 55 -1.156 1.687 -6.973 1.00 1.11 C ATOM 846 CD1 TYR A 55 -0.601 1.483 -8.234 1.00 24.41 C ATOM 847 CD2 TYR A 55 -1.202 0.604 -6.097 1.00 13.44 C ATOM 848 CE1 TYR A 55 -0.107 0.248 -8.606 1.00 25.44 C ATOM 849 CE2 TYR A 55 -0.710 -0.635 -6.467 1.00 34.31 C ATOM 850 CZ TYR A 55 -0.166 -0.806 -7.723 1.00 53.45 C ATOM 851 OH TYR A 55 0.331 -2.032 -8.097 1.00 63.44 O ATOM 0 H TYR A 55 -4.280 4.616 -6.083 1.00 60.42 H new ATOM 0 HA TYR A 55 -2.791 3.615 -8.341 1.00 74.55 H new ATOM 0 HB2 TYR A 55 -0.930 3.806 -6.765 1.00 71.51 H new ATOM 0 HB3 TYR A 55 -1.868 3.057 -5.489 1.00 71.51 H new ATOM 0 HD1 TYR A 55 -0.556 2.305 -8.933 1.00 24.41 H new ATOM 0 HD2 TYR A 55 -1.629 0.734 -5.113 1.00 13.44 H new ATOM 0 HE1 TYR A 55 0.324 0.110 -9.587 1.00 25.44 H new ATOM 0 HE2 TYR A 55 -0.752 -1.464 -5.776 1.00 34.31 H new ATOM 0 HH TYR A 55 1.066 -1.907 -8.733 1.00 63.44 H new ATOM 861 N LYS A 56 -4.542 1.841 -8.269 1.00 71.32 N ATOM 862 CA LYS A 56 -5.495 0.725 -8.259 1.00 61.32 C ATOM 863 C LYS A 56 -4.773 -0.630 -8.167 1.00 45.14 C ATOM 864 O LYS A 56 -3.887 -0.928 -8.971 1.00 11.34 O ATOM 865 CB LYS A 56 -6.372 0.751 -9.518 1.00 42.44 C ATOM 866 CG LYS A 56 -7.390 -0.388 -9.577 1.00 33.25 C ATOM 867 CD LYS A 56 -8.151 -0.415 -10.899 1.00 3.21 C ATOM 868 CE LYS A 56 -8.969 0.854 -11.125 1.00 1.55 C ATOM 869 NZ LYS A 56 -9.695 0.817 -12.420 1.00 21.41 N ATOM 0 H LYS A 56 -4.313 2.192 -9.199 1.00 71.32 H new ATOM 0 HA LYS A 56 -6.124 0.844 -7.377 1.00 61.32 H new ATOM 0 HB2 LYS A 56 -6.901 1.703 -9.563 1.00 42.44 H new ATOM 0 HB3 LYS A 56 -5.731 0.701 -10.398 1.00 42.44 H new ATOM 0 HG2 LYS A 56 -6.877 -1.339 -9.436 1.00 33.25 H new ATOM 0 HG3 LYS A 56 -8.098 -0.283 -8.755 1.00 33.25 H new ATOM 0 HD2 LYS A 56 -7.444 -0.540 -11.720 1.00 3.21 H new ATOM 0 HD3 LYS A 56 -8.814 -1.280 -10.916 1.00 3.21 H new ATOM 0 HE2 LYS A 56 -9.683 0.976 -10.311 1.00 1.55 H new ATOM 0 HE3 LYS A 56 -8.309 1.721 -11.103 1.00 1.55 H new ATOM 0 HZ1 LYS A 56 -10.239 1.695 -12.538 1.00 21.41 H new ATOM 0 HZ2 LYS A 56 -9.012 0.726 -13.199 1.00 21.41 H new ATOM 0 HZ3 LYS A 56 -10.343 0.004 -12.431 1.00 21.41 H new ATOM 883 N TYR A 57 -5.166 -1.449 -7.196 1.00 64.23 N ATOM 884 CA TYR A 57 -4.586 -2.784 -7.019 1.00 63.35 C ATOM 885 C TYR A 57 -5.092 -3.756 -8.099 1.00 31.34 C ATOM 886 O TYR A 57 -6.298 -3.967 -8.244 1.00 34.35 O ATOM 887 CB TYR A 57 -4.920 -3.322 -5.617 1.00 51.53 C ATOM 888 CG TYR A 57 -4.222 -2.572 -4.488 1.00 50.12 C ATOM 889 CD1 TYR A 57 -4.367 -1.195 -4.338 1.00 52.44 C ATOM 890 CD2 TYR A 57 -3.408 -3.242 -3.580 1.00 45.25 C ATOM 891 CE1 TYR A 57 -3.726 -0.515 -3.321 1.00 51.55 C ATOM 892 CE2 TYR A 57 -2.762 -2.565 -2.562 1.00 63.31 C ATOM 893 CZ TYR A 57 -2.924 -1.204 -2.439 1.00 1.21 C ATOM 894 OH TYR A 57 -2.278 -0.526 -1.431 1.00 11.32 O ATOM 0 H TYR A 57 -5.887 -1.213 -6.514 1.00 64.23 H new ATOM 0 HA TYR A 57 -3.504 -2.702 -7.121 1.00 63.35 H new ATOM 0 HB2 TYR A 57 -5.998 -3.268 -5.465 1.00 51.53 H new ATOM 0 HB3 TYR A 57 -4.643 -4.375 -5.567 1.00 51.53 H new ATOM 0 HD1 TYR A 57 -4.992 -0.649 -5.029 1.00 52.44 H new ATOM 0 HD2 TYR A 57 -3.278 -4.310 -3.672 1.00 45.25 H new ATOM 0 HE1 TYR A 57 -3.853 0.553 -3.218 1.00 51.55 H new ATOM 0 HE2 TYR A 57 -2.133 -3.102 -1.867 1.00 63.31 H new ATOM 0 HH TYR A 57 -1.329 -0.772 -1.427 1.00 11.32 H new ATOM 904 N THR A 58 -4.166 -4.338 -8.861 1.00 34.21 N ATOM 905 CA THR A 58 -4.526 -5.236 -9.971 1.00 22.45 C ATOM 906 C THR A 58 -5.136 -6.558 -9.475 1.00 71.14 C ATOM 907 O THR A 58 -4.508 -7.322 -8.740 1.00 3.13 O ATOM 908 CB THR A 58 -3.313 -5.542 -10.887 1.00 3.44 C ATOM 909 OG1 THR A 58 -3.679 -6.485 -11.910 1.00 0.33 O ATOM 910 CG2 THR A 58 -2.135 -6.086 -10.087 1.00 54.32 C ATOM 0 H THR A 58 -3.162 -4.208 -8.735 1.00 34.21 H new ATOM 0 HA THR A 58 -5.279 -4.702 -10.551 1.00 22.45 H new ATOM 0 HB THR A 58 -3.009 -4.604 -11.352 1.00 3.44 H new ATOM 0 HG1 THR A 58 -3.398 -6.144 -12.785 1.00 0.33 H new ATOM 0 HG21 THR A 58 -1.302 -6.290 -10.759 1.00 54.32 H new ATOM 0 HG22 THR A 58 -1.829 -5.350 -9.343 1.00 54.32 H new ATOM 0 HG23 THR A 58 -2.430 -7.008 -9.585 1.00 54.32 H new ATOM 918 N SER A 59 -6.364 -6.832 -9.902 1.00 30.04 N ATOM 919 CA SER A 59 -7.090 -8.039 -9.480 1.00 2.32 C ATOM 920 C SER A 59 -6.751 -9.249 -10.361 1.00 63.40 C ATOM 921 O SER A 59 -7.596 -10.119 -10.586 1.00 62.12 O ATOM 922 CB SER A 59 -8.603 -7.778 -9.517 1.00 13.24 C ATOM 923 OG SER A 59 -8.972 -6.774 -8.591 1.00 22.55 O ATOM 0 H SER A 59 -6.885 -6.235 -10.544 1.00 30.04 H new ATOM 0 HA SER A 59 -6.779 -8.272 -8.462 1.00 2.32 H new ATOM 0 HB2 SER A 59 -8.898 -7.476 -10.522 1.00 13.24 H new ATOM 0 HB3 SER A 59 -9.139 -8.700 -9.291 1.00 13.24 H new ATOM 0 HG SER A 59 -9.940 -6.627 -8.636 1.00 22.55 H new ATOM 929 N ARG A 60 -5.507 -9.324 -10.833 1.00 75.05 N ATOM 930 CA ARG A 60 -5.076 -10.431 -11.696 1.00 63.24 C ATOM 931 C ARG A 60 -4.782 -11.715 -10.892 1.00 64.11 C ATOM 932 O ARG A 60 -4.468 -12.756 -11.472 1.00 34.53 O ATOM 933 CB ARG A 60 -3.842 -10.029 -12.525 1.00 40.33 C ATOM 934 CG ARG A 60 -2.604 -9.700 -11.699 1.00 43.23 C ATOM 935 CD ARG A 60 -1.380 -9.446 -12.578 1.00 30.12 C ATOM 936 NE ARG A 60 -1.542 -8.275 -13.441 1.00 74.15 N ATOM 937 CZ ARG A 60 -0.595 -7.777 -14.193 1.00 31.03 C ATOM 938 NH1 ARG A 60 0.579 -8.320 -14.227 1.00 15.42 N ATOM 939 NH2 ARG A 60 -0.827 -6.737 -14.923 1.00 55.32 N ATOM 0 H ARG A 60 -4.780 -8.636 -10.635 1.00 75.05 H new ATOM 0 HA ARG A 60 -5.903 -10.648 -12.372 1.00 63.24 H new ATOM 0 HB2 ARG A 60 -3.600 -10.841 -13.210 1.00 40.33 H new ATOM 0 HB3 ARG A 60 -4.097 -9.162 -13.135 1.00 40.33 H new ATOM 0 HG2 ARG A 60 -2.800 -8.819 -11.087 1.00 43.23 H new ATOM 0 HG3 ARG A 60 -2.395 -10.523 -11.016 1.00 43.23 H new ATOM 0 HD2 ARG A 60 -0.504 -9.308 -11.944 1.00 30.12 H new ATOM 0 HD3 ARG A 60 -1.191 -10.325 -13.195 1.00 30.12 H new ATOM 0 HE ARG A 60 -2.453 -7.817 -13.457 1.00 74.15 H new ATOM 0 HH11 ARG A 60 0.775 -9.147 -13.663 1.00 15.42 H new ATOM 0 HH12 ARG A 60 1.308 -7.921 -14.818 1.00 15.42 H new ATOM 0 HH21 ARG A 60 -1.750 -6.303 -14.914 1.00 55.32 H new ATOM 0 HH22 ARG A 60 -0.087 -6.350 -15.509 1.00 55.32 H new ATOM 953 N TYR A 61 -4.876 -11.638 -9.561 1.00 65.22 N ATOM 954 CA TYR A 61 -4.657 -12.809 -8.695 1.00 25.52 C ATOM 955 C TYR A 61 -5.317 -12.620 -7.321 1.00 33.23 C ATOM 956 O TYR A 61 -5.808 -11.537 -6.996 1.00 51.41 O ATOM 957 CB TYR A 61 -3.151 -13.082 -8.523 1.00 53.11 C ATOM 958 CG TYR A 61 -2.395 -12.000 -7.761 1.00 50.43 C ATOM 959 CD1 TYR A 61 -2.078 -10.787 -8.364 1.00 15.31 C ATOM 960 CD2 TYR A 61 -1.995 -12.197 -6.441 1.00 23.22 C ATOM 961 CE1 TYR A 61 -1.388 -9.805 -7.678 1.00 52.34 C ATOM 962 CE2 TYR A 61 -1.303 -11.219 -5.749 1.00 3.12 C ATOM 963 CZ TYR A 61 -1.003 -10.026 -6.371 1.00 52.24 C ATOM 964 OH TYR A 61 -0.315 -9.048 -5.690 1.00 71.05 O ATOM 0 H TYR A 61 -5.102 -10.780 -9.057 1.00 65.22 H new ATOM 0 HA TYR A 61 -5.120 -13.668 -9.180 1.00 25.52 H new ATOM 0 HB2 TYR A 61 -3.024 -14.031 -8.002 1.00 53.11 H new ATOM 0 HB3 TYR A 61 -2.701 -13.196 -9.509 1.00 53.11 H new ATOM 0 HD1 TYR A 61 -2.376 -10.609 -9.387 1.00 15.31 H new ATOM 0 HD2 TYR A 61 -2.229 -13.130 -5.949 1.00 23.22 H new ATOM 0 HE1 TYR A 61 -1.151 -8.869 -8.162 1.00 52.34 H new ATOM 0 HE2 TYR A 61 -0.999 -11.389 -4.727 1.00 3.12 H new ATOM 0 HH TYR A 61 0.635 -9.092 -5.926 1.00 71.05 H new ATOM 974 N VAL A 62 -5.326 -13.684 -6.519 1.00 63.34 N ATOM 975 CA VAL A 62 -5.881 -13.632 -5.162 1.00 61.33 C ATOM 976 C VAL A 62 -4.795 -13.308 -4.120 1.00 31.41 C ATOM 977 O VAL A 62 -3.674 -13.815 -4.195 1.00 35.03 O ATOM 978 CB VAL A 62 -6.572 -14.972 -4.785 1.00 21.13 C ATOM 979 CG1 VAL A 62 -7.739 -15.263 -5.726 1.00 63.23 C ATOM 980 CG2 VAL A 62 -5.573 -16.131 -4.791 1.00 35.21 C ATOM 0 H VAL A 62 -4.955 -14.596 -6.784 1.00 63.34 H new ATOM 0 HA VAL A 62 -6.623 -12.834 -5.156 1.00 61.33 H new ATOM 0 HB VAL A 62 -6.963 -14.871 -3.773 1.00 21.13 H new ATOM 0 HG11 VAL A 62 -8.208 -16.206 -5.444 1.00 63.23 H new ATOM 0 HG12 VAL A 62 -8.471 -14.459 -5.657 1.00 63.23 H new ATOM 0 HG13 VAL A 62 -7.372 -15.333 -6.750 1.00 63.23 H new ATOM 0 HG21 VAL A 62 -6.086 -17.055 -4.523 1.00 35.21 H new ATOM 0 HG22 VAL A 62 -5.139 -16.232 -5.786 1.00 35.21 H new ATOM 0 HG23 VAL A 62 -4.782 -15.933 -4.068 1.00 35.21 H new ATOM 990 N LEU A 63 -5.128 -12.456 -3.152 1.00 15.11 N ATOM 991 CA LEU A 63 -4.193 -12.108 -2.082 1.00 53.15 C ATOM 992 C LEU A 63 -4.226 -13.194 -0.991 1.00 45.32 C ATOM 993 O LEU A 63 -5.180 -13.288 -0.212 1.00 0.43 O ATOM 994 CB LEU A 63 -4.540 -10.726 -1.491 1.00 72.33 C ATOM 995 CG LEU A 63 -3.340 -9.872 -1.031 1.00 32.32 C ATOM 996 CD1 LEU A 63 -2.506 -10.592 0.026 1.00 34.05 C ATOM 997 CD2 LEU A 63 -2.469 -9.482 -2.224 1.00 43.22 C ATOM 0 H LEU A 63 -6.035 -11.995 -3.086 1.00 15.11 H new ATOM 0 HA LEU A 63 -3.185 -12.054 -2.492 1.00 53.15 H new ATOM 0 HB2 LEU A 63 -5.098 -10.162 -2.238 1.00 72.33 H new ATOM 0 HB3 LEU A 63 -5.205 -10.872 -0.640 1.00 72.33 H new ATOM 0 HG LEU A 63 -3.739 -8.966 -0.576 1.00 32.32 H new ATOM 0 HD11 LEU A 63 -1.671 -9.958 0.324 1.00 34.05 H new ATOM 0 HD12 LEU A 63 -3.127 -10.807 0.896 1.00 34.05 H new ATOM 0 HD13 LEU A 63 -2.124 -11.526 -0.386 1.00 34.05 H new ATOM 0 HD21 LEU A 63 -1.628 -8.880 -1.879 1.00 43.22 H new ATOM 0 HD22 LEU A 63 -2.095 -10.382 -2.711 1.00 43.22 H new ATOM 0 HD23 LEU A 63 -3.061 -8.905 -2.934 1.00 43.22 H new ATOM 1009 N LYS A 64 -3.184 -14.019 -0.946 1.00 63.43 N ATOM 1010 CA LYS A 64 -3.142 -15.157 -0.024 1.00 24.33 C ATOM 1011 C LYS A 64 -3.014 -14.719 1.443 1.00 15.53 C ATOM 1012 O LYS A 64 -2.493 -13.642 1.747 1.00 22.10 O ATOM 1013 CB LYS A 64 -1.988 -16.100 -0.388 1.00 2.34 C ATOM 1014 CG LYS A 64 -2.066 -16.638 -1.816 1.00 3.21 C ATOM 1015 CD LYS A 64 -1.075 -17.779 -2.059 1.00 23.11 C ATOM 1016 CE LYS A 64 -1.612 -19.128 -1.575 1.00 41.21 C ATOM 1017 NZ LYS A 64 -1.895 -19.159 -0.111 1.00 0.22 N ATOM 0 H LYS A 64 -2.357 -13.924 -1.535 1.00 63.43 H new ATOM 0 HA LYS A 64 -4.091 -15.683 -0.128 1.00 24.33 H new ATOM 0 HB2 LYS A 64 -1.043 -15.572 -0.259 1.00 2.34 H new ATOM 0 HB3 LYS A 64 -1.982 -16.939 0.308 1.00 2.34 H new ATOM 0 HG2 LYS A 64 -3.078 -16.990 -2.015 1.00 3.21 H new ATOM 0 HG3 LYS A 64 -1.866 -15.829 -2.519 1.00 3.21 H new ATOM 0 HD2 LYS A 64 -0.850 -17.841 -3.124 1.00 23.11 H new ATOM 0 HD3 LYS A 64 -0.138 -17.559 -1.547 1.00 23.11 H new ATOM 0 HE2 LYS A 64 -2.526 -19.364 -2.120 1.00 41.21 H new ATOM 0 HE3 LYS A 64 -0.888 -19.907 -1.815 1.00 41.21 H new ATOM 0 HZ1 LYS A 64 -2.092 -20.137 0.184 1.00 0.22 H new ATOM 0 HZ2 LYS A 64 -1.070 -18.800 0.410 1.00 0.22 H new ATOM 0 HZ3 LYS A 64 -2.721 -18.562 0.096 1.00 0.22 H new ATOM 1031 N ALA A 65 -3.488 -15.573 2.344 1.00 34.30 N ATOM 1032 CA ALA A 65 -3.467 -15.293 3.785 1.00 13.00 C ATOM 1033 C ALA A 65 -2.034 -15.234 4.345 1.00 73.33 C ATOM 1034 O ALA A 65 -1.184 -16.054 3.993 1.00 54.53 O ATOM 1035 CB ALA A 65 -4.278 -16.352 4.525 1.00 50.52 C ATOM 0 H ALA A 65 -3.897 -16.476 2.103 1.00 34.30 H new ATOM 0 HA ALA A 65 -3.913 -14.311 3.939 1.00 13.00 H new ATOM 0 HB1 ALA A 65 -4.261 -16.142 5.594 1.00 50.52 H new ATOM 0 HB2 ALA A 65 -5.308 -16.336 4.169 1.00 50.52 H new ATOM 0 HB3 ALA A 65 -3.845 -17.336 4.341 1.00 50.52 H new ATOM 1041 N GLY A 66 -1.773 -14.252 5.213 1.00 62.04 N ATOM 1042 CA GLY A 66 -0.459 -14.127 5.846 1.00 20.54 C ATOM 1043 C GLY A 66 0.588 -13.442 4.965 1.00 14.45 C ATOM 1044 O GLY A 66 1.754 -13.334 5.346 1.00 62.44 O ATOM 0 H GLY A 66 -2.448 -13.539 5.491 1.00 62.04 H new ATOM 0 HA2 GLY A 66 -0.565 -13.564 6.773 1.00 20.54 H new ATOM 0 HA3 GLY A 66 -0.100 -15.120 6.116 1.00 20.54 H new ATOM 1048 N GLN A 67 0.182 -12.986 3.779 1.00 42.43 N ATOM 1049 CA GLN A 67 1.099 -12.301 2.856 1.00 20.55 C ATOM 1050 C GLN A 67 1.136 -10.786 3.117 1.00 31.02 C ATOM 1051 O GLN A 67 0.095 -10.138 3.248 1.00 32.00 O ATOM 1052 CB GLN A 67 0.701 -12.573 1.387 1.00 33.31 C ATOM 1053 CG GLN A 67 1.546 -13.639 0.677 1.00 50.02 C ATOM 1054 CD GLN A 67 1.215 -15.085 1.048 1.00 63.14 C ATOM 1055 OE1 GLN A 67 1.339 -15.984 0.224 1.00 71.42 O ATOM 1056 NE2 GLN A 67 0.827 -15.336 2.280 1.00 54.44 N ATOM 0 H GLN A 67 -0.773 -13.077 3.432 1.00 42.43 H new ATOM 0 HA GLN A 67 2.097 -12.701 3.034 1.00 20.55 H new ATOM 0 HB2 GLN A 67 -0.344 -12.881 1.360 1.00 33.31 H new ATOM 0 HB3 GLN A 67 0.773 -11.640 0.827 1.00 33.31 H new ATOM 0 HG2 GLN A 67 1.423 -13.520 -0.399 1.00 50.02 H new ATOM 0 HG3 GLN A 67 2.597 -13.455 0.900 1.00 50.02 H new ATOM 0 HE21 GLN A 67 0.730 -14.573 2.950 1.00 54.44 H new ATOM 0 HE22 GLN A 67 0.623 -16.294 2.565 1.00 54.44 H new ATOM 1065 N THR A 68 2.342 -10.230 3.192 1.00 61.01 N ATOM 1066 CA THR A 68 2.524 -8.784 3.372 1.00 3.24 C ATOM 1067 C THR A 68 2.846 -8.101 2.040 1.00 32.13 C ATOM 1068 O THR A 68 4.015 -7.886 1.703 1.00 10.24 O ATOM 1069 CB THR A 68 3.647 -8.462 4.390 1.00 11.35 C ATOM 1070 OG1 THR A 68 4.879 -9.082 3.988 1.00 44.22 O ATOM 1071 CG2 THR A 68 3.270 -8.934 5.792 1.00 31.25 C ATOM 0 H THR A 68 3.213 -10.757 3.131 1.00 61.01 H new ATOM 0 HA THR A 68 1.582 -8.400 3.762 1.00 3.24 H new ATOM 0 HB THR A 68 3.777 -7.380 4.411 1.00 11.35 H new ATOM 0 HG1 THR A 68 5.034 -8.914 3.035 1.00 44.22 H new ATOM 0 HG21 THR A 68 4.076 -8.695 6.485 1.00 31.25 H new ATOM 0 HG22 THR A 68 2.356 -8.433 6.111 1.00 31.25 H new ATOM 0 HG23 THR A 68 3.108 -10.012 5.782 1.00 31.25 H new ATOM 1079 N VAL A 69 1.804 -7.787 1.274 1.00 61.22 N ATOM 1080 CA VAL A 69 1.972 -7.136 -0.028 1.00 54.32 C ATOM 1081 C VAL A 69 2.726 -5.798 0.106 1.00 44.12 C ATOM 1082 O VAL A 69 2.197 -4.807 0.614 1.00 23.13 O ATOM 1083 CB VAL A 69 0.606 -6.928 -0.739 1.00 52.31 C ATOM 1084 CG1 VAL A 69 -0.386 -6.187 0.156 1.00 0.40 C ATOM 1085 CG2 VAL A 69 0.791 -6.202 -2.073 1.00 55.13 C ATOM 0 H VAL A 69 0.834 -7.972 1.530 1.00 61.22 H new ATOM 0 HA VAL A 69 2.574 -7.802 -0.646 1.00 54.32 H new ATOM 0 HB VAL A 69 0.187 -7.913 -0.944 1.00 52.31 H new ATOM 0 HG11 VAL A 69 -1.330 -6.060 -0.374 1.00 0.40 H new ATOM 0 HG12 VAL A 69 -0.556 -6.763 1.066 1.00 0.40 H new ATOM 0 HG13 VAL A 69 0.019 -5.209 0.416 1.00 0.40 H new ATOM 0 HG21 VAL A 69 -0.179 -6.068 -2.552 1.00 55.13 H new ATOM 0 HG22 VAL A 69 1.246 -5.227 -1.897 1.00 55.13 H new ATOM 0 HG23 VAL A 69 1.438 -6.793 -2.722 1.00 55.13 H new ATOM 1095 N THR A 70 3.982 -5.794 -0.327 1.00 71.35 N ATOM 1096 CA THR A 70 4.834 -4.605 -0.226 1.00 74.05 C ATOM 1097 C THR A 70 4.774 -3.759 -1.505 1.00 51.42 C ATOM 1098 O THR A 70 5.081 -4.240 -2.594 1.00 54.14 O ATOM 1099 CB THR A 70 6.307 -4.996 0.061 1.00 32.05 C ATOM 1100 OG1 THR A 70 6.383 -5.755 1.280 1.00 52.30 O ATOM 1101 CG2 THR A 70 7.197 -3.761 0.174 1.00 2.41 C ATOM 0 H THR A 70 4.438 -6.601 -0.753 1.00 71.35 H new ATOM 0 HA THR A 70 4.452 -4.012 0.605 1.00 74.05 H new ATOM 0 HB THR A 70 6.663 -5.600 -0.774 1.00 32.05 H new ATOM 0 HG1 THR A 70 7.221 -6.263 1.297 1.00 52.30 H new ATOM 0 HG21 THR A 70 8.223 -4.069 0.375 1.00 2.41 H new ATOM 0 HG22 THR A 70 7.163 -3.201 -0.761 1.00 2.41 H new ATOM 0 HG23 THR A 70 6.841 -3.130 0.988 1.00 2.41 H new ATOM 1109 N ILE A 71 4.366 -2.500 -1.364 1.00 13.45 N ATOM 1110 CA ILE A 71 4.292 -1.571 -2.498 1.00 12.14 C ATOM 1111 C ILE A 71 5.667 -0.936 -2.784 1.00 62.42 C ATOM 1112 O ILE A 71 6.138 -0.087 -2.026 1.00 62.12 O ATOM 1113 CB ILE A 71 3.251 -0.449 -2.237 1.00 21.10 C ATOM 1114 CG1 ILE A 71 1.869 -1.052 -1.926 1.00 11.35 C ATOM 1115 CG2 ILE A 71 3.168 0.502 -3.429 1.00 14.51 C ATOM 1116 CD1 ILE A 71 1.288 -1.883 -3.050 1.00 0.05 C ATOM 0 H ILE A 71 4.080 -2.095 -0.473 1.00 13.45 H new ATOM 0 HA ILE A 71 3.979 -2.149 -3.368 1.00 12.14 H new ATOM 0 HB ILE A 71 3.578 0.123 -1.369 1.00 21.10 H new ATOM 0 HG12 ILE A 71 1.948 -1.673 -1.034 1.00 11.35 H new ATOM 0 HG13 ILE A 71 1.177 -0.244 -1.691 1.00 11.35 H new ATOM 0 HG21 ILE A 71 2.432 1.280 -3.223 1.00 14.51 H new ATOM 0 HG22 ILE A 71 4.143 0.960 -3.598 1.00 14.51 H new ATOM 0 HG23 ILE A 71 2.870 -0.054 -4.318 1.00 14.51 H new ATOM 0 HD11 ILE A 71 0.314 -2.271 -2.750 1.00 0.05 H new ATOM 0 HD12 ILE A 71 1.174 -1.263 -3.939 1.00 0.05 H new ATOM 0 HD13 ILE A 71 1.957 -2.715 -3.271 1.00 0.05 H new ATOM 1128 N TRP A 72 6.310 -1.363 -3.867 1.00 61.00 N ATOM 1129 CA TRP A 72 7.627 -0.827 -4.255 1.00 61.34 C ATOM 1130 C TRP A 72 7.493 0.489 -5.038 1.00 73.21 C ATOM 1131 O TRP A 72 6.552 0.664 -5.808 1.00 45.21 O ATOM 1132 CB TRP A 72 8.388 -1.854 -5.111 1.00 52.43 C ATOM 1133 CG TRP A 72 8.762 -3.110 -4.372 1.00 61.44 C ATOM 1134 CD1 TRP A 72 7.913 -4.000 -3.776 1.00 73.12 C ATOM 1135 CD2 TRP A 72 10.085 -3.623 -4.166 1.00 61.24 C ATOM 1136 NE1 TRP A 72 8.626 -5.021 -3.200 1.00 44.14 N ATOM 1137 CE2 TRP A 72 9.960 -4.817 -3.429 1.00 52.34 C ATOM 1138 CE3 TRP A 72 11.362 -3.186 -4.529 1.00 2.25 C ATOM 1139 CZ2 TRP A 72 11.064 -5.577 -3.050 1.00 73.41 C ATOM 1140 CZ3 TRP A 72 12.458 -3.942 -4.155 1.00 1.33 C ATOM 1141 CH2 TRP A 72 12.303 -5.127 -3.423 1.00 11.10 C ATOM 0 H TRP A 72 5.947 -2.079 -4.497 1.00 61.00 H new ATOM 0 HA TRP A 72 8.182 -0.627 -3.338 1.00 61.34 H new ATOM 0 HB2 TRP A 72 7.774 -2.120 -5.972 1.00 52.43 H new ATOM 0 HB3 TRP A 72 9.295 -1.389 -5.498 1.00 52.43 H new ATOM 0 HD1 TRP A 72 6.837 -3.912 -3.761 1.00 73.12 H new ATOM 0 HE1 TRP A 72 8.227 -5.805 -2.684 1.00 44.14 H new ATOM 0 HE3 TRP A 72 11.491 -2.273 -5.092 1.00 2.25 H new ATOM 0 HZ2 TRP A 72 10.947 -6.488 -2.482 1.00 73.41 H new ATOM 0 HZ3 TRP A 72 13.449 -3.614 -4.431 1.00 1.33 H new ATOM 0 HH2 TRP A 72 13.178 -5.697 -3.147 1.00 11.10 H new ATOM 1152 N ALA A 73 8.436 1.411 -4.838 1.00 14.13 N ATOM 1153 CA ALA A 73 8.446 2.678 -5.583 1.00 3.42 C ATOM 1154 C ALA A 73 8.679 2.456 -7.091 1.00 74.45 C ATOM 1155 O ALA A 73 9.233 1.434 -7.501 1.00 31.53 O ATOM 1156 CB ALA A 73 9.510 3.615 -5.014 1.00 43.23 C ATOM 0 H ALA A 73 9.201 1.308 -4.171 1.00 14.13 H new ATOM 0 HA ALA A 73 7.464 3.137 -5.468 1.00 3.42 H new ATOM 0 HB1 ALA A 73 9.508 4.550 -5.574 1.00 43.23 H new ATOM 0 HB2 ALA A 73 9.292 3.819 -3.966 1.00 43.23 H new ATOM 0 HB3 ALA A 73 10.490 3.145 -5.096 1.00 43.23 H new ATOM 1162 N ALA A 74 8.262 3.426 -7.913 1.00 10.34 N ATOM 1163 CA ALA A 74 8.410 3.332 -9.377 1.00 43.42 C ATOM 1164 C ALA A 74 9.853 3.000 -9.802 1.00 34.53 C ATOM 1165 O ALA A 74 10.075 2.341 -10.818 1.00 62.11 O ATOM 1166 CB ALA A 74 7.951 4.625 -10.043 1.00 44.42 C ATOM 0 H ALA A 74 7.819 4.287 -7.593 1.00 10.34 H new ATOM 0 HA ALA A 74 7.777 2.509 -9.709 1.00 43.42 H new ATOM 0 HB1 ALA A 74 8.067 4.539 -11.123 1.00 44.42 H new ATOM 0 HB2 ALA A 74 6.903 4.805 -9.804 1.00 44.42 H new ATOM 0 HB3 ALA A 74 8.555 5.456 -9.679 1.00 44.42 H new ATOM 1172 N ASN A 75 10.827 3.440 -9.007 1.00 13.43 N ATOM 1173 CA ASN A 75 12.246 3.180 -9.292 1.00 42.22 C ATOM 1174 C ASN A 75 12.677 1.773 -8.823 1.00 30.43 C ATOM 1175 O ASN A 75 13.844 1.547 -8.493 1.00 5.13 O ATOM 1176 CB ASN A 75 13.117 4.249 -8.616 1.00 5.55 C ATOM 1177 CG ASN A 75 12.835 5.649 -9.135 1.00 52.33 C ATOM 1178 OD1 ASN A 75 12.445 5.838 -10.282 1.00 60.44 O ATOM 1179 ND2 ASN A 75 13.041 6.644 -8.299 1.00 32.03 N ATOM 0 H ASN A 75 10.664 3.980 -8.157 1.00 13.43 H new ATOM 0 HA ASN A 75 12.383 3.224 -10.372 1.00 42.22 H new ATOM 0 HB2 ASN A 75 12.946 4.224 -7.540 1.00 5.55 H new ATOM 0 HB3 ASN A 75 14.168 4.011 -8.778 1.00 5.55 H new ATOM 0 HD21 ASN A 75 12.876 7.605 -8.599 1.00 32.03 H new ATOM 0 HD22 ASN A 75 13.366 6.455 -7.351 1.00 32.03 H new ATOM 1186 N ALA A 76 11.734 0.827 -8.805 1.00 52.14 N ATOM 1187 CA ALA A 76 12.025 -0.558 -8.403 1.00 40.55 C ATOM 1188 C ALA A 76 13.029 -1.239 -9.350 1.00 52.13 C ATOM 1189 O ALA A 76 13.872 -2.025 -8.913 1.00 73.41 O ATOM 1190 CB ALA A 76 10.736 -1.369 -8.332 1.00 61.24 C ATOM 0 H ALA A 76 10.761 0.992 -9.064 1.00 52.14 H new ATOM 0 HA ALA A 76 12.484 -0.519 -7.415 1.00 40.55 H new ATOM 0 HB1 ALA A 76 10.966 -2.392 -8.033 1.00 61.24 H new ATOM 0 HB2 ALA A 76 10.063 -0.920 -7.601 1.00 61.24 H new ATOM 0 HB3 ALA A 76 10.256 -1.376 -9.311 1.00 61.24 H new ATOM 1196 N GLY A 77 12.921 -0.952 -10.647 1.00 32.12 N ATOM 1197 CA GLY A 77 13.850 -1.516 -11.628 1.00 24.32 C ATOM 1198 C GLY A 77 13.495 -2.940 -12.067 1.00 31.10 C ATOM 1199 O GLY A 77 13.668 -3.300 -13.232 1.00 43.20 O ATOM 0 H GLY A 77 12.207 -0.339 -11.041 1.00 32.12 H new ATOM 0 HA2 GLY A 77 13.873 -0.870 -12.506 1.00 24.32 H new ATOM 0 HA3 GLY A 77 14.855 -1.516 -11.205 1.00 24.32 H new ATOM 1203 N VAL A 78 13.015 -3.754 -11.129 1.00 35.31 N ATOM 1204 CA VAL A 78 12.628 -5.142 -11.413 1.00 64.54 C ATOM 1205 C VAL A 78 11.263 -5.231 -12.125 1.00 64.03 C ATOM 1206 O VAL A 78 10.678 -4.213 -12.501 1.00 63.12 O ATOM 1207 CB VAL A 78 12.586 -5.982 -10.107 1.00 65.51 C ATOM 1208 CG1 VAL A 78 13.959 -6.007 -9.434 1.00 41.42 C ATOM 1209 CG2 VAL A 78 11.520 -5.447 -9.147 1.00 61.32 C ATOM 0 H VAL A 78 12.883 -3.477 -10.156 1.00 35.31 H new ATOM 0 HA VAL A 78 13.387 -5.547 -12.082 1.00 64.54 H new ATOM 0 HB VAL A 78 12.318 -7.005 -10.372 1.00 65.51 H new ATOM 0 HG11 VAL A 78 13.906 -6.601 -8.521 1.00 41.42 H new ATOM 0 HG12 VAL A 78 14.689 -6.449 -10.113 1.00 41.42 H new ATOM 0 HG13 VAL A 78 14.262 -4.989 -9.188 1.00 41.42 H new ATOM 0 HG21 VAL A 78 11.510 -6.052 -8.240 1.00 61.32 H new ATOM 0 HG22 VAL A 78 11.748 -4.412 -8.891 1.00 61.32 H new ATOM 0 HG23 VAL A 78 10.542 -5.495 -9.626 1.00 61.32 H new ATOM 1219 N THR A 79 10.771 -6.459 -12.310 1.00 2.23 N ATOM 1220 CA THR A 79 9.473 -6.703 -12.963 1.00 73.10 C ATOM 1221 C THR A 79 8.347 -5.860 -12.336 1.00 23.12 C ATOM 1222 O THR A 79 7.866 -6.163 -11.245 1.00 51.30 O ATOM 1223 CB THR A 79 9.079 -8.201 -12.881 1.00 5.34 C ATOM 1224 OG1 THR A 79 10.152 -9.019 -13.375 1.00 33.43 O ATOM 1225 CG2 THR A 79 7.810 -8.488 -13.683 1.00 2.12 C ATOM 0 H THR A 79 11.253 -7.308 -12.016 1.00 2.23 H new ATOM 0 HA THR A 79 9.593 -6.411 -14.006 1.00 73.10 H new ATOM 0 HB THR A 79 8.885 -8.438 -11.835 1.00 5.34 H new ATOM 0 HG1 THR A 79 9.896 -9.963 -13.318 1.00 33.43 H new ATOM 0 HG21 THR A 79 7.562 -9.546 -13.605 1.00 2.12 H new ATOM 0 HG22 THR A 79 6.987 -7.892 -13.288 1.00 2.12 H new ATOM 0 HG23 THR A 79 7.975 -8.231 -14.729 1.00 2.12 H new ATOM 1233 N ALA A 80 7.926 -4.807 -13.039 1.00 10.04 N ATOM 1234 CA ALA A 80 6.914 -3.874 -12.524 1.00 62.31 C ATOM 1235 C ALA A 80 5.477 -4.392 -12.716 1.00 20.30 C ATOM 1236 O ALA A 80 4.509 -3.714 -12.350 1.00 41.31 O ATOM 1237 CB ALA A 80 7.079 -2.511 -13.189 1.00 34.12 C ATOM 0 H ALA A 80 8.270 -4.576 -13.971 1.00 10.04 H new ATOM 0 HA ALA A 80 7.075 -3.782 -11.450 1.00 62.31 H new ATOM 0 HB1 ALA A 80 6.326 -1.824 -12.803 1.00 34.12 H new ATOM 0 HB2 ALA A 80 8.073 -2.119 -12.973 1.00 34.12 H new ATOM 0 HB3 ALA A 80 6.957 -2.615 -14.267 1.00 34.12 H new ATOM 1243 N SER A 81 5.338 -5.590 -13.279 1.00 45.23 N ATOM 1244 CA SER A 81 4.016 -6.182 -13.540 1.00 4.53 C ATOM 1245 C SER A 81 3.817 -7.484 -12.739 1.00 75.21 C ATOM 1246 O SER A 81 4.551 -8.456 -12.931 1.00 21.40 O ATOM 1247 CB SER A 81 3.846 -6.462 -15.041 1.00 22.11 C ATOM 1248 OG SER A 81 2.540 -6.936 -15.341 1.00 31.32 O ATOM 0 H SER A 81 6.122 -6.175 -13.566 1.00 45.23 H new ATOM 0 HA SER A 81 3.260 -5.465 -13.219 1.00 4.53 H new ATOM 0 HB2 SER A 81 4.041 -5.551 -15.606 1.00 22.11 H new ATOM 0 HB3 SER A 81 4.583 -7.199 -15.360 1.00 22.11 H new ATOM 0 HG SER A 81 1.879 -6.264 -15.074 1.00 31.32 H new ATOM 1254 N PRO A 82 2.817 -7.512 -11.827 1.00 63.13 N ATOM 1255 CA PRO A 82 2.504 -8.695 -10.977 1.00 20.15 C ATOM 1256 C PRO A 82 2.229 -9.988 -11.795 1.00 4.55 C ATOM 1257 O PRO A 82 2.218 -9.947 -13.026 1.00 54.53 O ATOM 1258 CB PRO A 82 1.242 -8.234 -10.220 1.00 4.14 C ATOM 1259 CG PRO A 82 1.340 -6.749 -10.208 1.00 34.05 C ATOM 1260 CD PRO A 82 1.910 -6.383 -11.544 1.00 41.25 C ATOM 0 HA PRO A 82 3.339 -8.973 -10.333 1.00 20.15 H new ATOM 0 HB2 PRO A 82 0.334 -8.568 -10.721 1.00 4.14 H new ATOM 0 HB3 PRO A 82 1.215 -8.639 -9.208 1.00 4.14 H new ATOM 0 HG2 PRO A 82 0.362 -6.291 -10.058 1.00 34.05 H new ATOM 0 HG3 PRO A 82 1.982 -6.403 -9.398 1.00 34.05 H new ATOM 0 HD2 PRO A 82 1.134 -6.286 -12.303 1.00 41.25 H new ATOM 0 HD3 PRO A 82 2.443 -5.433 -11.511 1.00 41.25 H new ATOM 1268 N PRO A 83 1.956 -11.161 -11.151 1.00 32.52 N ATOM 1269 CA PRO A 83 1.762 -11.312 -9.687 1.00 5.32 C ATOM 1270 C PRO A 83 3.063 -11.289 -8.855 1.00 61.32 C ATOM 1271 O PRO A 83 3.990 -12.062 -9.097 1.00 21.33 O ATOM 1272 CB PRO A 83 1.084 -12.680 -9.576 1.00 54.22 C ATOM 1273 CG PRO A 83 1.622 -13.457 -10.729 1.00 71.14 C ATOM 1274 CD PRO A 83 1.815 -12.461 -11.847 1.00 2.24 C ATOM 0 HA PRO A 83 1.191 -10.476 -9.283 1.00 5.32 H new ATOM 0 HB2 PRO A 83 1.318 -13.163 -8.628 1.00 54.22 H new ATOM 0 HB3 PRO A 83 -0.001 -12.591 -9.629 1.00 54.22 H new ATOM 0 HG2 PRO A 83 2.564 -13.939 -10.469 1.00 71.14 H new ATOM 0 HG3 PRO A 83 0.931 -14.246 -11.024 1.00 71.14 H new ATOM 0 HD2 PRO A 83 2.699 -12.694 -12.440 1.00 2.24 H new ATOM 0 HD3 PRO A 83 0.965 -12.458 -12.529 1.00 2.24 H new ATOM 1282 N THR A 84 3.090 -10.398 -7.860 1.00 35.51 N ATOM 1283 CA THR A 84 4.221 -10.256 -6.921 1.00 44.13 C ATOM 1284 C THR A 84 3.947 -9.086 -5.965 1.00 30.42 C ATOM 1285 O THR A 84 2.832 -8.562 -5.942 1.00 70.03 O ATOM 1286 CB THR A 84 5.571 -10.013 -7.653 1.00 11.21 C ATOM 1287 OG1 THR A 84 6.648 -9.951 -6.706 1.00 32.22 O ATOM 1288 CG2 THR A 84 5.539 -8.724 -8.469 1.00 61.14 C ATOM 0 H THR A 84 2.326 -9.748 -7.677 1.00 35.51 H new ATOM 0 HA THR A 84 4.308 -11.192 -6.370 1.00 44.13 H new ATOM 0 HB THR A 84 5.730 -10.849 -8.334 1.00 11.21 H new ATOM 0 HG1 THR A 84 6.546 -10.670 -6.048 1.00 32.22 H new ATOM 0 HG21 THR A 84 6.498 -8.585 -8.967 1.00 61.14 H new ATOM 0 HG22 THR A 84 4.748 -8.786 -9.216 1.00 61.14 H new ATOM 0 HG23 THR A 84 5.348 -7.879 -7.807 1.00 61.14 H new ATOM 1296 N ASP A 85 4.938 -8.688 -5.165 1.00 23.54 N ATOM 1297 CA ASP A 85 4.825 -7.467 -4.360 1.00 11.23 C ATOM 1298 C ASP A 85 4.549 -6.263 -5.278 1.00 74.02 C ATOM 1299 O ASP A 85 5.426 -5.828 -6.020 1.00 13.44 O ATOM 1300 CB ASP A 85 6.105 -7.242 -3.549 1.00 61.10 C ATOM 1301 CG ASP A 85 6.353 -8.352 -2.546 1.00 62.45 C ATOM 1302 OD1 ASP A 85 6.924 -9.395 -2.937 1.00 31.13 O ATOM 1303 OD2 ASP A 85 5.979 -8.189 -1.364 1.00 14.21 O ATOM 0 H ASP A 85 5.821 -9.187 -5.056 1.00 23.54 H new ATOM 0 HA ASP A 85 3.995 -7.577 -3.663 1.00 11.23 H new ATOM 0 HB2 ASP A 85 6.955 -7.172 -4.228 1.00 61.10 H new ATOM 0 HB3 ASP A 85 6.037 -6.289 -3.024 1.00 61.10 H new ATOM 1308 N LEU A 86 3.322 -5.750 -5.229 1.00 62.42 N ATOM 1309 CA LEU A 86 2.839 -4.746 -6.192 1.00 31.40 C ATOM 1310 C LEU A 86 3.784 -3.537 -6.341 1.00 72.12 C ATOM 1311 O LEU A 86 3.905 -2.706 -5.441 1.00 50.45 O ATOM 1312 CB LEU A 86 1.438 -4.265 -5.787 1.00 14.15 C ATOM 1313 CG LEU A 86 0.370 -5.365 -5.677 1.00 40.05 C ATOM 1314 CD1 LEU A 86 -0.980 -4.767 -5.299 1.00 32.32 C ATOM 1315 CD2 LEU A 86 0.265 -6.148 -6.982 1.00 60.31 C ATOM 0 H LEU A 86 2.632 -6.013 -4.526 1.00 62.42 H new ATOM 0 HA LEU A 86 2.805 -5.238 -7.164 1.00 31.40 H new ATOM 0 HB2 LEU A 86 1.511 -3.755 -4.826 1.00 14.15 H new ATOM 0 HB3 LEU A 86 1.101 -3.527 -6.515 1.00 14.15 H new ATOM 0 HG LEU A 86 0.671 -6.055 -4.889 1.00 40.05 H new ATOM 0 HD11 LEU A 86 -1.722 -5.562 -5.226 1.00 32.32 H new ATOM 0 HD12 LEU A 86 -0.897 -4.259 -4.338 1.00 32.32 H new ATOM 0 HD13 LEU A 86 -1.288 -4.052 -6.062 1.00 32.32 H new ATOM 0 HD21 LEU A 86 -0.497 -6.921 -6.882 1.00 60.31 H new ATOM 0 HD22 LEU A 86 -0.009 -5.471 -7.791 1.00 60.31 H new ATOM 0 HD23 LEU A 86 1.226 -6.612 -7.206 1.00 60.31 H new ATOM 1327 N ILE A 87 4.450 -3.449 -7.494 1.00 51.15 N ATOM 1328 CA ILE A 87 5.292 -2.293 -7.813 1.00 0.23 C ATOM 1329 C ILE A 87 4.431 -1.085 -8.215 1.00 23.11 C ATOM 1330 O ILE A 87 3.687 -1.128 -9.206 1.00 64.20 O ATOM 1331 CB ILE A 87 6.308 -2.588 -8.957 1.00 25.11 C ATOM 1332 CG1 ILE A 87 7.297 -3.702 -8.559 1.00 23.44 C ATOM 1333 CG2 ILE A 87 7.073 -1.319 -9.341 1.00 3.34 C ATOM 1334 CD1 ILE A 87 6.713 -5.099 -8.596 1.00 43.12 C ATOM 0 H ILE A 87 4.423 -4.163 -8.222 1.00 51.15 H new ATOM 0 HA ILE A 87 5.854 -2.069 -6.907 1.00 0.23 H new ATOM 0 HB ILE A 87 5.739 -2.932 -9.820 1.00 25.11 H new ATOM 0 HG12 ILE A 87 8.157 -3.663 -9.227 1.00 23.44 H new ATOM 0 HG13 ILE A 87 7.665 -3.502 -7.553 1.00 23.44 H new ATOM 0 HG21 ILE A 87 7.777 -1.547 -10.141 1.00 3.34 H new ATOM 0 HG22 ILE A 87 6.370 -0.559 -9.682 1.00 3.34 H new ATOM 0 HG23 ILE A 87 7.618 -0.946 -8.474 1.00 3.34 H new ATOM 0 HD11 ILE A 87 7.476 -5.820 -8.302 1.00 43.12 H new ATOM 0 HD12 ILE A 87 5.871 -5.160 -7.906 1.00 43.12 H new ATOM 0 HD13 ILE A 87 6.371 -5.324 -9.606 1.00 43.12 H new ATOM 1346 N TRP A 88 4.529 -0.018 -7.434 1.00 63.12 N ATOM 1347 CA TRP A 88 3.817 1.228 -7.715 1.00 40.12 C ATOM 1348 C TRP A 88 4.417 1.926 -8.948 1.00 11.21 C ATOM 1349 O TRP A 88 5.631 2.030 -9.083 1.00 14.34 O ATOM 1350 CB TRP A 88 3.895 2.150 -6.488 1.00 2.43 C ATOM 1351 CG TRP A 88 2.901 3.272 -6.491 1.00 30.14 C ATOM 1352 CD1 TRP A 88 1.879 3.468 -7.369 1.00 74.52 C ATOM 1353 CD2 TRP A 88 2.827 4.344 -5.549 1.00 31.43 C ATOM 1354 NE1 TRP A 88 1.177 4.597 -7.035 1.00 74.23 N ATOM 1355 CE2 TRP A 88 1.739 5.154 -5.921 1.00 50.24 C ATOM 1356 CE3 TRP A 88 3.579 4.697 -4.428 1.00 22.50 C ATOM 1357 CZ2 TRP A 88 1.382 6.292 -5.209 1.00 35.11 C ATOM 1358 CZ3 TRP A 88 3.226 5.827 -3.722 1.00 40.23 C ATOM 1359 CH2 TRP A 88 2.136 6.614 -4.114 1.00 42.55 C ATOM 0 H TRP A 88 5.101 0.012 -6.590 1.00 63.12 H new ATOM 0 HA TRP A 88 2.772 1.001 -7.928 1.00 40.12 H new ATOM 0 HB2 TRP A 88 3.746 1.552 -5.589 1.00 2.43 H new ATOM 0 HB3 TRP A 88 4.899 2.571 -6.428 1.00 2.43 H new ATOM 0 HD1 TRP A 88 1.654 2.826 -8.208 1.00 74.52 H new ATOM 0 HE1 TRP A 88 0.367 4.962 -7.536 1.00 74.23 H new ATOM 0 HE3 TRP A 88 4.422 4.096 -4.119 1.00 22.50 H new ATOM 0 HZ2 TRP A 88 0.541 6.900 -5.509 1.00 35.11 H new ATOM 0 HZ3 TRP A 88 3.800 6.110 -2.852 1.00 40.23 H new ATOM 0 HH2 TRP A 88 1.885 7.494 -3.540 1.00 42.55 H new ATOM 1370 N LYS A 89 3.559 2.402 -9.846 1.00 70.33 N ATOM 1371 CA LYS A 89 4.016 3.009 -11.104 1.00 1.01 C ATOM 1372 C LYS A 89 3.407 4.405 -11.318 1.00 73.13 C ATOM 1373 O LYS A 89 3.253 4.865 -12.454 1.00 2.22 O ATOM 1374 CB LYS A 89 3.660 2.072 -12.271 1.00 14.34 C ATOM 1375 CG LYS A 89 4.474 0.773 -12.283 1.00 62.51 C ATOM 1376 CD LYS A 89 3.964 -0.222 -13.327 1.00 52.34 C ATOM 1377 CE LYS A 89 2.635 -0.846 -12.917 1.00 43.14 C ATOM 1378 NZ LYS A 89 2.768 -1.680 -11.693 1.00 43.10 N ATOM 0 H LYS A 89 2.546 2.382 -9.732 1.00 70.33 H new ATOM 0 HA LYS A 89 5.097 3.141 -11.056 1.00 1.01 H new ATOM 0 HB2 LYS A 89 2.599 1.826 -12.219 1.00 14.34 H new ATOM 0 HB3 LYS A 89 3.819 2.600 -13.211 1.00 14.34 H new ATOM 0 HG2 LYS A 89 5.520 1.004 -12.485 1.00 62.51 H new ATOM 0 HG3 LYS A 89 4.434 0.313 -11.296 1.00 62.51 H new ATOM 0 HD2 LYS A 89 3.847 0.285 -14.285 1.00 52.34 H new ATOM 0 HD3 LYS A 89 4.705 -1.008 -13.471 1.00 52.34 H new ATOM 0 HE2 LYS A 89 1.903 -0.058 -12.741 1.00 43.14 H new ATOM 0 HE3 LYS A 89 2.254 -1.459 -13.734 1.00 43.14 H new ATOM 0 HZ1 LYS A 89 1.863 -2.154 -11.496 1.00 43.10 H new ATOM 0 HZ2 LYS A 89 3.509 -2.395 -11.839 1.00 43.10 H new ATOM 0 HZ3 LYS A 89 3.025 -1.075 -10.887 1.00 43.10 H new ATOM 1392 N ASN A 90 3.087 5.086 -10.218 1.00 11.30 N ATOM 1393 CA ASN A 90 2.482 6.427 -10.277 1.00 3.32 C ATOM 1394 C ASN A 90 3.347 7.472 -9.538 1.00 11.11 C ATOM 1395 O ASN A 90 3.307 8.662 -9.858 1.00 74.31 O ATOM 1396 CB ASN A 90 1.065 6.385 -9.687 1.00 31.32 C ATOM 1397 CG ASN A 90 0.227 5.265 -10.286 1.00 13.20 C ATOM 1398 OD1 ASN A 90 0.239 4.142 -9.797 1.00 55.21 O ATOM 1399 ND2 ASN A 90 -0.494 5.549 -11.351 1.00 53.23 N ATOM 0 H ASN A 90 3.235 4.735 -9.272 1.00 11.30 H new ATOM 0 HA ASN A 90 2.426 6.730 -11.323 1.00 3.32 H new ATOM 0 HB2 ASN A 90 1.127 6.253 -8.607 1.00 31.32 H new ATOM 0 HB3 ASN A 90 0.571 7.341 -9.863 1.00 31.32 H new ATOM 0 HD21 ASN A 90 -1.062 4.825 -11.790 1.00 53.23 H new ATOM 0 HD22 ASN A 90 -0.484 6.493 -11.736 1.00 53.23 H new ATOM 1406 N GLN A 91 4.125 7.024 -8.546 1.00 51.13 N ATOM 1407 CA GLN A 91 5.062 7.906 -7.829 1.00 52.31 C ATOM 1408 C GLN A 91 6.445 7.242 -7.692 1.00 50.13 C ATOM 1409 O GLN A 91 6.547 6.018 -7.570 1.00 50.11 O ATOM 1410 CB GLN A 91 4.516 8.274 -6.437 1.00 50.15 C ATOM 1411 CG GLN A 91 5.333 9.352 -5.725 1.00 14.41 C ATOM 1412 CD GLN A 91 4.824 9.677 -4.326 1.00 0.20 C ATOM 1413 OE1 GLN A 91 4.290 8.828 -3.623 1.00 54.34 O ATOM 1414 NE2 GLN A 91 4.992 10.917 -3.908 1.00 54.43 N ATOM 0 H GLN A 91 4.127 6.058 -8.219 1.00 51.13 H new ATOM 0 HA GLN A 91 5.169 8.820 -8.414 1.00 52.31 H new ATOM 0 HB2 GLN A 91 3.487 8.618 -6.539 1.00 50.15 H new ATOM 0 HB3 GLN A 91 4.493 7.378 -5.816 1.00 50.15 H new ATOM 0 HG2 GLN A 91 6.371 9.025 -5.658 1.00 14.41 H new ATOM 0 HG3 GLN A 91 5.323 10.261 -6.327 1.00 14.41 H new ATOM 0 HE21 GLN A 91 5.440 11.603 -4.515 1.00 54.43 H new ATOM 0 HE22 GLN A 91 4.674 11.189 -2.978 1.00 54.43 H new ATOM 1423 N ASN A 92 7.506 8.051 -7.713 1.00 32.21 N ATOM 1424 CA ASN A 92 8.882 7.535 -7.670 1.00 13.34 C ATOM 1425 C ASN A 92 9.449 7.525 -6.237 1.00 14.22 C ATOM 1426 O ASN A 92 8.729 7.767 -5.269 1.00 2.35 O ATOM 1427 CB ASN A 92 9.777 8.384 -8.581 1.00 74.42 C ATOM 1428 CG ASN A 92 9.161 8.596 -9.952 1.00 5.24 C ATOM 1429 OD1 ASN A 92 9.345 7.797 -10.862 1.00 31.45 O ATOM 1430 ND2 ASN A 92 8.420 9.673 -10.107 1.00 23.24 N ATOM 0 H ASN A 92 7.442 9.068 -7.760 1.00 32.21 H new ATOM 0 HA ASN A 92 8.864 6.504 -8.022 1.00 13.34 H new ATOM 0 HB2 ASN A 92 9.957 9.351 -8.112 1.00 74.42 H new ATOM 0 HB3 ASN A 92 10.746 7.898 -8.691 1.00 74.42 H new ATOM 0 HD21 ASN A 92 7.978 9.863 -11.006 1.00 23.24 H new ATOM 0 HD22 ASN A 92 8.288 10.318 -9.328 1.00 23.24 H new ATOM 1437 N SER A 93 10.748 7.237 -6.112 1.00 64.04 N ATOM 1438 CA SER A 93 11.425 7.223 -4.801 1.00 23.12 C ATOM 1439 C SER A 93 11.339 8.597 -4.121 1.00 72.43 C ATOM 1440 O SER A 93 11.706 9.617 -4.707 1.00 63.41 O ATOM 1441 CB SER A 93 12.896 6.814 -4.956 1.00 71.41 C ATOM 1442 OG SER A 93 13.012 5.580 -5.646 1.00 14.42 O ATOM 0 H SER A 93 11.356 7.010 -6.899 1.00 64.04 H new ATOM 0 HA SER A 93 10.916 6.491 -4.174 1.00 23.12 H new ATOM 0 HB2 SER A 93 13.437 7.590 -5.498 1.00 71.41 H new ATOM 0 HB3 SER A 93 13.359 6.730 -3.973 1.00 71.41 H new ATOM 0 HG SER A 93 13.959 5.342 -5.734 1.00 14.42 H new ATOM 1448 N TRP A 94 10.859 8.615 -2.879 1.00 33.31 N ATOM 1449 CA TRP A 94 10.615 9.868 -2.154 1.00 42.32 C ATOM 1450 C TRP A 94 11.727 10.185 -1.136 1.00 2.35 C ATOM 1451 O TRP A 94 11.966 9.428 -0.195 1.00 32.53 O ATOM 1452 CB TRP A 94 9.244 9.810 -1.453 1.00 51.03 C ATOM 1453 CG TRP A 94 9.043 8.599 -0.575 1.00 62.41 C ATOM 1454 CD1 TRP A 94 9.213 8.526 0.781 1.00 12.00 C ATOM 1455 CD2 TRP A 94 8.632 7.288 -0.994 1.00 53.43 C ATOM 1456 NE1 TRP A 94 8.933 7.256 1.223 1.00 33.42 N ATOM 1457 CE2 TRP A 94 8.577 6.478 0.156 1.00 65.33 C ATOM 1458 CE3 TRP A 94 8.306 6.720 -2.230 1.00 32.52 C ATOM 1459 CZ2 TRP A 94 8.210 5.134 0.107 1.00 13.22 C ATOM 1460 CZ3 TRP A 94 7.942 5.387 -2.277 1.00 71.23 C ATOM 1461 CH2 TRP A 94 7.895 4.608 -1.114 1.00 75.12 C ATOM 0 H TRP A 94 10.629 7.774 -2.349 1.00 33.31 H new ATOM 0 HA TRP A 94 10.617 10.675 -2.886 1.00 42.32 H new ATOM 0 HB2 TRP A 94 9.121 10.707 -0.847 1.00 51.03 H new ATOM 0 HB3 TRP A 94 8.461 9.828 -2.211 1.00 51.03 H new ATOM 0 HD1 TRP A 94 9.522 9.347 1.411 1.00 12.00 H new ATOM 0 HE1 TRP A 94 8.983 6.943 2.193 1.00 33.42 H new ATOM 0 HE3 TRP A 94 8.338 7.313 -3.132 1.00 32.52 H new ATOM 0 HZ2 TRP A 94 8.176 4.530 1.002 1.00 13.22 H new ATOM 0 HZ3 TRP A 94 7.690 4.939 -3.227 1.00 71.23 H new ATOM 0 HH2 TRP A 94 7.604 3.570 -1.184 1.00 75.12 H new ATOM 1472 N GLY A 95 12.406 11.309 -1.347 1.00 41.12 N ATOM 1473 CA GLY A 95 13.410 11.786 -0.397 1.00 72.23 C ATOM 1474 C GLY A 95 13.074 13.174 0.136 1.00 11.43 C ATOM 1475 O GLY A 95 13.543 14.183 -0.395 1.00 70.34 O ATOM 0 H GLY A 95 12.281 11.906 -2.165 1.00 41.12 H new ATOM 0 HA2 GLY A 95 13.484 11.086 0.435 1.00 72.23 H new ATOM 0 HA3 GLY A 95 14.386 11.810 -0.882 1.00 72.23 H new ATOM 1479 N THR A 96 12.247 13.225 1.181 1.00 61.41 N ATOM 1480 CA THR A 96 11.744 14.501 1.722 1.00 22.12 C ATOM 1481 C THR A 96 11.915 14.591 3.244 1.00 61.35 C ATOM 1482 O THR A 96 12.217 15.657 3.784 1.00 1.22 O ATOM 1483 CB THR A 96 10.243 14.690 1.410 1.00 33.21 C ATOM 1484 OG1 THR A 96 9.474 13.697 2.113 1.00 74.22 O ATOM 1485 CG2 THR A 96 9.968 14.590 -0.090 1.00 41.33 C ATOM 0 H THR A 96 11.907 12.399 1.674 1.00 61.41 H new ATOM 0 HA THR A 96 12.335 15.280 1.240 1.00 22.12 H new ATOM 0 HB THR A 96 9.951 15.687 1.741 1.00 33.21 H new ATOM 0 HG1 THR A 96 8.977 13.151 1.468 1.00 74.22 H new ATOM 0 HG21 THR A 96 8.903 14.728 -0.275 1.00 41.33 H new ATOM 0 HG22 THR A 96 10.530 15.362 -0.615 1.00 41.33 H new ATOM 0 HG23 THR A 96 10.275 13.609 -0.452 1.00 41.33 H new ATOM 1493 N GLY A 97 11.685 13.477 3.934 1.00 24.23 N ATOM 1494 CA GLY A 97 11.738 13.465 5.393 1.00 71.14 C ATOM 1495 C GLY A 97 10.451 13.978 6.038 1.00 45.42 C ATOM 1496 O GLY A 97 10.380 14.136 7.255 1.00 21.13 O ATOM 0 H GLY A 97 11.462 12.577 3.510 1.00 24.23 H new ATOM 0 HA2 GLY A 97 11.931 12.449 5.736 1.00 71.14 H new ATOM 0 HA3 GLY A 97 12.575 14.078 5.726 1.00 71.14 H new ATOM 1500 N GLU A 98 9.433 14.232 5.214 1.00 51.11 N ATOM 1501 CA GLU A 98 8.135 14.729 5.690 1.00 44.35 C ATOM 1502 C GLU A 98 7.118 13.591 5.871 1.00 51.23 C ATOM 1503 O GLU A 98 7.115 12.616 5.115 1.00 51.15 O ATOM 1504 CB GLU A 98 7.576 15.772 4.709 1.00 30.11 C ATOM 1505 CG GLU A 98 8.221 17.151 4.830 1.00 42.33 C ATOM 1506 CD GLU A 98 7.859 17.851 6.133 1.00 15.22 C ATOM 1507 OE1 GLU A 98 6.696 18.290 6.269 1.00 24.21 O ATOM 1508 OE2 GLU A 98 8.729 17.972 7.021 1.00 31.31 O ATOM 0 H GLU A 98 9.481 14.101 4.204 1.00 51.11 H new ATOM 0 HA GLU A 98 8.299 15.191 6.664 1.00 44.35 H new ATOM 0 HB2 GLU A 98 7.712 15.407 3.691 1.00 30.11 H new ATOM 0 HB3 GLU A 98 6.503 15.869 4.872 1.00 30.11 H new ATOM 0 HG2 GLU A 98 9.304 17.049 4.765 1.00 42.33 H new ATOM 0 HG3 GLU A 98 7.908 17.770 3.989 1.00 42.33 H new ATOM 1515 N ASP A 99 6.253 13.729 6.875 1.00 31.12 N ATOM 1516 CA ASP A 99 5.212 12.736 7.150 1.00 2.12 C ATOM 1517 C ASP A 99 4.193 12.638 6.008 1.00 35.21 C ATOM 1518 O ASP A 99 3.657 13.645 5.536 1.00 61.15 O ATOM 1519 CB ASP A 99 4.502 13.068 8.462 1.00 33.31 C ATOM 1520 CG ASP A 99 5.401 12.851 9.661 1.00 51.02 C ATOM 1521 OD1 ASP A 99 6.161 13.772 10.017 1.00 13.53 O ATOM 1522 OD2 ASP A 99 5.357 11.744 10.244 1.00 12.53 O ATOM 0 H ASP A 99 6.252 14.523 7.515 1.00 31.12 H new ATOM 0 HA ASP A 99 5.700 11.765 7.236 1.00 2.12 H new ATOM 0 HB2 ASP A 99 4.168 14.105 8.442 1.00 33.31 H new ATOM 0 HB3 ASP A 99 3.611 12.448 8.560 1.00 33.31 H new ATOM 1527 N VAL A 100 3.919 11.411 5.579 1.00 73.20 N ATOM 1528 CA VAL A 100 2.995 11.162 4.472 1.00 11.45 C ATOM 1529 C VAL A 100 1.790 10.309 4.916 1.00 74.53 C ATOM 1530 O VAL A 100 1.951 9.224 5.479 1.00 23.24 O ATOM 1531 CB VAL A 100 3.722 10.470 3.288 1.00 54.22 C ATOM 1532 CG1 VAL A 100 4.376 9.157 3.728 1.00 11.32 C ATOM 1533 CG2 VAL A 100 2.761 10.243 2.124 1.00 61.30 C ATOM 0 H VAL A 100 4.325 10.567 5.982 1.00 73.20 H new ATOM 0 HA VAL A 100 2.623 12.132 4.142 1.00 11.45 H new ATOM 0 HB VAL A 100 4.517 11.134 2.947 1.00 54.22 H new ATOM 0 HG11 VAL A 100 4.877 8.697 2.876 1.00 11.32 H new ATOM 0 HG12 VAL A 100 5.105 9.359 4.512 1.00 11.32 H new ATOM 0 HG13 VAL A 100 3.612 8.480 4.109 1.00 11.32 H new ATOM 0 HG21 VAL A 100 3.290 9.757 1.305 1.00 61.30 H new ATOM 0 HG22 VAL A 100 1.937 9.608 2.451 1.00 61.30 H new ATOM 0 HG23 VAL A 100 2.368 11.201 1.784 1.00 61.30 H new ATOM 1543 N LYS A 101 0.585 10.814 4.657 1.00 32.24 N ATOM 1544 CA LYS A 101 -0.656 10.106 4.997 1.00 2.35 C ATOM 1545 C LYS A 101 -1.121 9.222 3.823 1.00 55.33 C ATOM 1546 O LYS A 101 -1.443 9.726 2.745 1.00 31.12 O ATOM 1547 CB LYS A 101 -1.750 11.125 5.359 1.00 70.30 C ATOM 1548 CG LYS A 101 -3.077 10.500 5.786 1.00 43.24 C ATOM 1549 CD LYS A 101 -4.135 11.563 6.083 1.00 25.31 C ATOM 1550 CE LYS A 101 -5.465 10.940 6.493 1.00 61.14 C ATOM 1551 NZ LYS A 101 -6.526 11.961 6.691 1.00 12.14 N ATOM 0 H LYS A 101 0.438 11.718 4.209 1.00 32.24 H new ATOM 0 HA LYS A 101 -0.466 9.460 5.854 1.00 2.35 H new ATOM 0 HB2 LYS A 101 -1.385 11.760 6.166 1.00 70.30 H new ATOM 0 HB3 LYS A 101 -1.927 11.771 4.499 1.00 70.30 H new ATOM 0 HG2 LYS A 101 -3.437 9.838 4.998 1.00 43.24 H new ATOM 0 HG3 LYS A 101 -2.921 9.885 6.672 1.00 43.24 H new ATOM 0 HD2 LYS A 101 -3.779 12.217 6.879 1.00 25.31 H new ATOM 0 HD3 LYS A 101 -4.282 12.186 5.201 1.00 25.31 H new ATOM 0 HE2 LYS A 101 -5.783 10.231 5.728 1.00 61.14 H new ATOM 0 HE3 LYS A 101 -5.330 10.375 7.415 1.00 61.14 H new ATOM 0 HZ1 LYS A 101 -7.412 11.492 6.969 1.00 12.14 H new ATOM 0 HZ2 LYS A 101 -6.236 12.623 7.439 1.00 12.14 H new ATOM 0 HZ3 LYS A 101 -6.674 12.484 5.804 1.00 12.14 H new ATOM 1565 N VAL A 102 -1.143 7.905 4.030 1.00 32.14 N ATOM 1566 CA VAL A 102 -1.542 6.959 2.978 1.00 0.11 C ATOM 1567 C VAL A 102 -2.960 6.409 3.221 1.00 71.13 C ATOM 1568 O VAL A 102 -3.248 5.846 4.279 1.00 34.31 O ATOM 1569 CB VAL A 102 -0.537 5.780 2.879 1.00 73.34 C ATOM 1570 CG1 VAL A 102 -0.905 4.840 1.732 1.00 14.44 C ATOM 1571 CG2 VAL A 102 0.892 6.300 2.716 1.00 54.33 C ATOM 0 H VAL A 102 -0.890 7.466 4.915 1.00 32.14 H new ATOM 0 HA VAL A 102 -1.540 7.509 2.037 1.00 0.11 H new ATOM 0 HB VAL A 102 -0.591 5.213 3.808 1.00 73.34 H new ATOM 0 HG11 VAL A 102 -0.185 4.023 1.685 1.00 14.44 H new ATOM 0 HG12 VAL A 102 -1.903 4.435 1.900 1.00 14.44 H new ATOM 0 HG13 VAL A 102 -0.890 5.391 0.791 1.00 14.44 H new ATOM 0 HG21 VAL A 102 1.580 5.457 2.649 1.00 54.33 H new ATOM 0 HG22 VAL A 102 0.960 6.898 1.807 1.00 54.33 H new ATOM 0 HG23 VAL A 102 1.155 6.916 3.576 1.00 54.33 H new ATOM 1581 N ILE A 103 -3.839 6.582 2.231 1.00 35.11 N ATOM 1582 CA ILE A 103 -5.243 6.157 2.336 1.00 72.21 C ATOM 1583 C ILE A 103 -5.534 4.894 1.506 1.00 13.23 C ATOM 1584 O ILE A 103 -5.174 4.811 0.332 1.00 33.32 O ATOM 1585 CB ILE A 103 -6.195 7.285 1.857 1.00 51.51 C ATOM 1586 CG1 ILE A 103 -5.984 8.561 2.684 1.00 30.04 C ATOM 1587 CG2 ILE A 103 -7.652 6.832 1.928 1.00 2.31 C ATOM 1588 CD1 ILE A 103 -6.231 8.376 4.167 1.00 51.55 C ATOM 0 H ILE A 103 -3.603 7.017 1.339 1.00 35.11 H new ATOM 0 HA ILE A 103 -5.417 5.933 3.389 1.00 72.21 H new ATOM 0 HB ILE A 103 -5.959 7.509 0.817 1.00 51.51 H new ATOM 0 HG12 ILE A 103 -4.963 8.914 2.536 1.00 30.04 H new ATOM 0 HG13 ILE A 103 -6.648 9.340 2.309 1.00 30.04 H new ATOM 0 HG21 ILE A 103 -8.301 7.639 1.588 1.00 2.31 H new ATOM 0 HG22 ILE A 103 -7.793 5.959 1.290 1.00 2.31 H new ATOM 0 HG23 ILE A 103 -7.903 6.574 2.957 1.00 2.31 H new ATOM 0 HD11 ILE A 103 -6.062 9.320 4.685 1.00 51.55 H new ATOM 0 HD12 ILE A 103 -7.260 8.053 4.327 1.00 51.55 H new ATOM 0 HD13 ILE A 103 -5.549 7.621 4.558 1.00 51.55 H new ATOM 1600 N LEU A 104 -6.197 3.916 2.122 1.00 64.24 N ATOM 1601 CA LEU A 104 -6.665 2.721 1.410 1.00 23.41 C ATOM 1602 C LEU A 104 -8.184 2.777 1.182 1.00 11.24 C ATOM 1603 O LEU A 104 -8.971 2.730 2.134 1.00 42.33 O ATOM 1604 CB LEU A 104 -6.308 1.445 2.188 1.00 11.10 C ATOM 1605 CG LEU A 104 -4.805 1.172 2.371 1.00 74.25 C ATOM 1606 CD1 LEU A 104 -4.588 -0.156 3.092 1.00 41.50 C ATOM 1607 CD2 LEU A 104 -4.082 1.181 1.024 1.00 21.34 C ATOM 0 H LEU A 104 -6.424 3.925 3.116 1.00 64.24 H new ATOM 0 HA LEU A 104 -6.163 2.698 0.443 1.00 23.41 H new ATOM 0 HB2 LEU A 104 -6.771 1.501 3.173 1.00 11.10 H new ATOM 0 HB3 LEU A 104 -6.753 0.593 1.675 1.00 11.10 H new ATOM 0 HG LEU A 104 -4.385 1.969 2.984 1.00 74.25 H new ATOM 0 HD11 LEU A 104 -3.519 -0.334 3.213 1.00 41.50 H new ATOM 0 HD12 LEU A 104 -5.063 -0.120 4.072 1.00 41.50 H new ATOM 0 HD13 LEU A 104 -5.026 -0.964 2.506 1.00 41.50 H new ATOM 0 HD21 LEU A 104 -3.021 0.986 1.179 1.00 21.34 H new ATOM 0 HD22 LEU A 104 -4.503 0.409 0.380 1.00 21.34 H new ATOM 0 HD23 LEU A 104 -4.206 2.155 0.551 1.00 21.34 H new ATOM 1619 N LYS A 105 -8.583 2.903 -0.079 1.00 43.22 N ATOM 1620 CA LYS A 105 -10.001 2.877 -0.464 1.00 64.04 C ATOM 1621 C LYS A 105 -10.311 1.650 -1.332 1.00 63.24 C ATOM 1622 O LYS A 105 -9.406 0.927 -1.750 1.00 73.10 O ATOM 1623 CB LYS A 105 -10.367 4.151 -1.242 1.00 23.24 C ATOM 1624 CG LYS A 105 -10.182 5.443 -0.455 1.00 40.42 C ATOM 1625 CD LYS A 105 -10.553 6.664 -1.293 1.00 21.23 C ATOM 1626 CE LYS A 105 -10.384 7.957 -0.510 1.00 72.23 C ATOM 1627 NZ LYS A 105 -10.731 9.150 -1.321 1.00 2.20 N ATOM 0 H LYS A 105 -7.942 3.026 -0.863 1.00 43.22 H new ATOM 0 HA LYS A 105 -10.593 2.824 0.450 1.00 64.04 H new ATOM 0 HB2 LYS A 105 -9.758 4.199 -2.144 1.00 23.24 H new ATOM 0 HB3 LYS A 105 -11.406 4.081 -1.563 1.00 23.24 H new ATOM 0 HG2 LYS A 105 -10.799 5.415 0.443 1.00 40.42 H new ATOM 0 HG3 LYS A 105 -9.146 5.526 -0.127 1.00 40.42 H new ATOM 0 HD2 LYS A 105 -9.929 6.695 -2.186 1.00 21.23 H new ATOM 0 HD3 LYS A 105 -11.586 6.574 -1.629 1.00 21.23 H new ATOM 0 HE2 LYS A 105 -11.015 7.927 0.379 1.00 72.23 H new ATOM 0 HE3 LYS A 105 -9.353 8.040 -0.166 1.00 72.23 H new ATOM 0 HZ1 LYS A 105 -10.602 10.009 -0.749 1.00 2.20 H new ATOM 0 HZ2 LYS A 105 -10.113 9.194 -2.156 1.00 2.20 H new ATOM 0 HZ3 LYS A 105 -11.723 9.085 -1.628 1.00 2.20 H new ATOM 1641 N ASN A 106 -11.593 1.420 -1.601 1.00 24.21 N ATOM 1642 CA ASN A 106 -12.005 0.347 -2.512 1.00 53.02 C ATOM 1643 C ASN A 106 -12.678 0.916 -3.778 1.00 43.40 C ATOM 1644 O ASN A 106 -12.608 2.118 -4.048 1.00 13.22 O ATOM 1645 CB ASN A 106 -12.936 -0.638 -1.795 1.00 14.33 C ATOM 1646 CG ASN A 106 -12.272 -1.281 -0.592 1.00 72.34 C ATOM 1647 OD1 ASN A 106 -12.407 -0.817 0.532 1.00 14.50 O ATOM 1648 ND2 ASN A 106 -11.526 -2.345 -0.821 1.00 61.43 N ATOM 0 H ASN A 106 -12.364 1.957 -1.205 1.00 24.21 H new ATOM 0 HA ASN A 106 -11.110 -0.190 -2.826 1.00 53.02 H new ATOM 0 HB2 ASN A 106 -13.837 -0.116 -1.474 1.00 14.33 H new ATOM 0 HB3 ASN A 106 -13.249 -1.414 -2.494 1.00 14.33 H new ATOM 0 HD21 ASN A 106 -11.042 -2.804 -0.049 1.00 61.43 H new ATOM 0 HD22 ASN A 106 -11.433 -2.708 -1.770 1.00 61.43 H new ATOM 1655 N SER A 107 -13.321 0.040 -4.549 1.00 64.44 N ATOM 1656 CA SER A 107 -13.904 0.405 -5.856 1.00 54.32 C ATOM 1657 C SER A 107 -14.919 1.559 -5.773 1.00 43.34 C ATOM 1658 O SER A 107 -15.114 2.279 -6.751 1.00 2.11 O ATOM 1659 CB SER A 107 -14.579 -0.816 -6.496 1.00 73.43 C ATOM 1660 OG SER A 107 -15.099 -0.519 -7.790 1.00 61.10 O ATOM 0 H SER A 107 -13.456 -0.939 -4.295 1.00 64.44 H new ATOM 0 HA SER A 107 -13.073 0.750 -6.471 1.00 54.32 H new ATOM 0 HB2 SER A 107 -13.859 -1.630 -6.572 1.00 73.43 H new ATOM 0 HB3 SER A 107 -15.386 -1.164 -5.851 1.00 73.43 H new ATOM 0 HG SER A 107 -15.519 -1.321 -8.166 1.00 61.10 H new ATOM 1666 N GLN A 108 -15.572 1.733 -4.623 1.00 1.11 N ATOM 1667 CA GLN A 108 -16.586 2.792 -4.472 1.00 44.20 C ATOM 1668 C GLN A 108 -15.989 4.060 -3.840 1.00 21.23 C ATOM 1669 O GLN A 108 -16.640 5.106 -3.797 1.00 32.40 O ATOM 1670 CB GLN A 108 -17.768 2.291 -3.629 1.00 53.35 C ATOM 1671 CG GLN A 108 -18.329 0.951 -4.090 1.00 72.02 C ATOM 1672 CD GLN A 108 -19.531 0.499 -3.273 1.00 14.23 C ATOM 1673 OE1 GLN A 108 -20.676 0.756 -3.630 1.00 71.12 O ATOM 1674 NE2 GLN A 108 -19.280 -0.147 -2.153 1.00 53.51 N ATOM 0 H GLN A 108 -15.424 1.165 -3.789 1.00 1.11 H new ATOM 0 HA GLN A 108 -16.943 3.048 -5.470 1.00 44.20 H new ATOM 0 HB2 GLN A 108 -17.450 2.203 -2.590 1.00 53.35 H new ATOM 0 HB3 GLN A 108 -18.563 3.036 -3.657 1.00 53.35 H new ATOM 0 HG2 GLN A 108 -18.616 1.025 -5.139 1.00 72.02 H new ATOM 0 HG3 GLN A 108 -17.547 0.194 -4.026 1.00 72.02 H new ATOM 0 HE21 GLN A 108 -18.316 -0.346 -1.884 1.00 53.51 H new ATOM 0 HE22 GLN A 108 -20.049 -0.449 -1.555 1.00 53.51 H new ATOM 1683 N GLY A 109 -14.753 3.961 -3.356 1.00 75.50 N ATOM 1684 CA GLY A 109 -14.068 5.117 -2.781 1.00 1.43 C ATOM 1685 C GLY A 109 -14.150 5.183 -1.259 1.00 14.13 C ATOM 1686 O GLY A 109 -13.753 6.181 -0.654 1.00 62.31 O ATOM 0 H GLY A 109 -14.208 3.099 -3.350 1.00 75.50 H new ATOM 0 HA2 GLY A 109 -13.020 5.092 -3.079 1.00 1.43 H new ATOM 0 HA3 GLY A 109 -14.497 6.028 -3.199 1.00 1.43 H new ATOM 1690 N GLU A 110 -14.644 4.118 -0.634 1.00 12.33 N ATOM 1691 CA GLU A 110 -14.773 4.071 0.828 1.00 24.51 C ATOM 1692 C GLU A 110 -13.406 3.936 1.520 1.00 71.20 C ATOM 1693 O GLU A 110 -12.635 3.023 1.227 1.00 74.45 O ATOM 1694 CB GLU A 110 -15.698 2.919 1.270 1.00 31.22 C ATOM 1695 CG GLU A 110 -15.328 1.539 0.714 1.00 23.00 C ATOM 1696 CD GLU A 110 -15.943 1.266 -0.651 1.00 33.44 C ATOM 1697 OE1 GLU A 110 -17.114 0.821 -0.692 1.00 51.14 O ATOM 1698 OE2 GLU A 110 -15.274 1.506 -1.682 1.00 44.33 O ATOM 0 H GLU A 110 -14.962 3.275 -1.112 1.00 12.33 H new ATOM 0 HA GLU A 110 -15.218 5.018 1.134 1.00 24.51 H new ATOM 0 HB2 GLU A 110 -15.694 2.868 2.359 1.00 31.22 H new ATOM 0 HB3 GLU A 110 -16.718 3.155 0.965 1.00 31.22 H new ATOM 0 HG2 GLU A 110 -14.243 1.462 0.640 1.00 23.00 H new ATOM 0 HG3 GLU A 110 -15.655 0.771 1.415 1.00 23.00 H new ATOM 1705 N GLU A 111 -13.114 4.858 2.433 1.00 35.21 N ATOM 1706 CA GLU A 111 -11.869 4.825 3.205 1.00 34.51 C ATOM 1707 C GLU A 111 -11.928 3.745 4.298 1.00 75.21 C ATOM 1708 O GLU A 111 -12.646 3.886 5.290 1.00 32.44 O ATOM 1709 CB GLU A 111 -11.613 6.209 3.822 1.00 53.33 C ATOM 1710 CG GLU A 111 -10.309 6.324 4.603 1.00 34.54 C ATOM 1711 CD GLU A 111 -10.067 7.738 5.112 1.00 32.14 C ATOM 1712 OE1 GLU A 111 -9.554 8.571 4.335 1.00 60.04 O ATOM 1713 OE2 GLU A 111 -10.405 8.026 6.279 1.00 42.41 O ATOM 0 H GLU A 111 -13.725 5.643 2.659 1.00 35.21 H new ATOM 0 HA GLU A 111 -11.046 4.573 2.537 1.00 34.51 H new ATOM 0 HB2 GLU A 111 -11.611 6.953 3.025 1.00 53.33 H new ATOM 0 HB3 GLU A 111 -12.442 6.455 4.486 1.00 53.33 H new ATOM 0 HG2 GLU A 111 -10.331 5.635 5.447 1.00 34.54 H new ATOM 0 HG3 GLU A 111 -9.478 6.022 3.966 1.00 34.54 H new ATOM 1720 N VAL A 112 -11.194 2.653 4.099 1.00 53.21 N ATOM 1721 CA VAL A 112 -11.212 1.532 5.048 1.00 62.44 C ATOM 1722 C VAL A 112 -9.993 1.532 5.987 1.00 71.21 C ATOM 1723 O VAL A 112 -10.113 1.206 7.171 1.00 12.53 O ATOM 1724 CB VAL A 112 -11.299 0.168 4.312 1.00 13.23 C ATOM 1725 CG1 VAL A 112 -12.622 0.049 3.555 1.00 55.32 C ATOM 1726 CG2 VAL A 112 -10.113 -0.021 3.364 1.00 50.15 C ATOM 0 H VAL A 112 -10.581 2.516 3.295 1.00 53.21 H new ATOM 0 HA VAL A 112 -12.106 1.670 5.657 1.00 62.44 H new ATOM 0 HB VAL A 112 -11.259 -0.623 5.060 1.00 13.23 H new ATOM 0 HG11 VAL A 112 -12.664 -0.914 3.046 1.00 55.32 H new ATOM 0 HG12 VAL A 112 -13.452 0.124 4.258 1.00 55.32 H new ATOM 0 HG13 VAL A 112 -12.695 0.851 2.821 1.00 55.32 H new ATOM 0 HG21 VAL A 112 -10.199 -0.984 2.861 1.00 50.15 H new ATOM 0 HG22 VAL A 112 -10.110 0.777 2.621 1.00 50.15 H new ATOM 0 HG23 VAL A 112 -9.184 0.010 3.933 1.00 50.15 H new ATOM 1736 N ALA A 113 -8.825 1.906 5.472 1.00 5.40 N ATOM 1737 CA ALA A 113 -7.593 1.877 6.269 1.00 43.34 C ATOM 1738 C ALA A 113 -6.684 3.078 5.975 1.00 33.23 C ATOM 1739 O ALA A 113 -6.279 3.300 4.834 1.00 55.13 O ATOM 1740 CB ALA A 113 -6.843 0.571 6.023 1.00 53.13 C ATOM 0 H ALA A 113 -8.701 2.231 4.513 1.00 5.40 H new ATOM 0 HA ALA A 113 -7.879 1.940 7.319 1.00 43.34 H new ATOM 0 HB1 ALA A 113 -5.930 0.558 6.618 1.00 53.13 H new ATOM 0 HB2 ALA A 113 -7.474 -0.270 6.308 1.00 53.13 H new ATOM 0 HB3 ALA A 113 -6.588 0.491 4.966 1.00 53.13 H new ATOM 1746 N GLN A 114 -6.363 3.848 7.012 1.00 5.32 N ATOM 1747 CA GLN A 114 -5.453 4.993 6.881 1.00 61.02 C ATOM 1748 C GLN A 114 -4.276 4.885 7.867 1.00 70.41 C ATOM 1749 O GLN A 114 -4.446 4.444 9.006 1.00 52.14 O ATOM 1750 CB GLN A 114 -6.211 6.315 7.095 1.00 12.32 C ATOM 1751 CG GLN A 114 -6.994 6.390 8.405 1.00 64.53 C ATOM 1752 CD GLN A 114 -7.622 7.757 8.635 1.00 40.12 C ATOM 1753 OE1 GLN A 114 -7.082 8.779 8.220 1.00 52.43 O ATOM 1754 NE2 GLN A 114 -8.761 7.790 9.297 1.00 21.20 N ATOM 0 H GLN A 114 -6.719 3.703 7.957 1.00 5.32 H new ATOM 0 HA GLN A 114 -5.048 4.982 5.869 1.00 61.02 H new ATOM 0 HB2 GLN A 114 -5.497 7.138 7.065 1.00 12.32 H new ATOM 0 HB3 GLN A 114 -6.901 6.462 6.264 1.00 12.32 H new ATOM 0 HG2 GLN A 114 -7.776 5.631 8.400 1.00 64.53 H new ATOM 0 HG3 GLN A 114 -6.328 6.156 9.236 1.00 64.53 H new ATOM 0 HE21 GLN A 114 -9.184 6.923 9.628 1.00 21.20 H new ATOM 0 HE22 GLN A 114 -9.220 8.683 9.478 1.00 21.20 H new ATOM 1763 N ARG A 115 -3.083 5.280 7.421 1.00 21.50 N ATOM 1764 CA ARG A 115 -1.867 5.202 8.250 1.00 43.15 C ATOM 1765 C ARG A 115 -0.760 6.117 7.695 1.00 25.32 C ATOM 1766 O ARG A 115 -0.713 6.391 6.495 1.00 53.40 O ATOM 1767 CB ARG A 115 -1.393 3.737 8.327 1.00 23.00 C ATOM 1768 CG ARG A 115 -0.085 3.511 9.091 1.00 51.44 C ATOM 1769 CD ARG A 115 0.097 2.037 9.455 1.00 74.33 C ATOM 1770 NE ARG A 115 1.412 1.737 10.027 1.00 23.14 N ATOM 1771 CZ ARG A 115 1.825 2.136 11.203 1.00 62.14 C ATOM 1772 NH1 ARG A 115 1.127 2.964 11.918 1.00 31.52 N ATOM 1773 NH2 ARG A 115 2.962 1.718 11.655 1.00 12.31 N ATOM 0 H ARG A 115 -2.927 5.660 6.487 1.00 21.50 H new ATOM 0 HA ARG A 115 -2.099 5.551 9.256 1.00 43.15 H new ATOM 0 HB2 ARG A 115 -2.177 3.143 8.798 1.00 23.00 H new ATOM 0 HB3 ARG A 115 -1.272 3.358 7.312 1.00 23.00 H new ATOM 0 HG2 ARG A 115 0.756 3.844 8.483 1.00 51.44 H new ATOM 0 HG3 ARG A 115 -0.082 4.115 9.998 1.00 51.44 H new ATOM 0 HD2 ARG A 115 -0.675 1.748 10.168 1.00 74.33 H new ATOM 0 HD3 ARG A 115 -0.050 1.429 8.562 1.00 74.33 H new ATOM 0 HE ARG A 115 2.053 1.175 9.467 1.00 23.14 H new ATOM 0 HH11 ARG A 115 0.237 3.317 11.566 1.00 31.52 H new ATOM 0 HH12 ARG A 115 1.468 3.262 12.832 1.00 31.52 H new ATOM 0 HH21 ARG A 115 3.530 1.082 11.096 1.00 12.31 H new ATOM 0 HH22 ARG A 115 3.291 2.025 12.571 1.00 12.31 H new ATOM 1787 N SER A 116 0.122 6.601 8.573 1.00 51.42 N ATOM 1788 CA SER A 116 1.213 7.500 8.159 1.00 32.03 C ATOM 1789 C SER A 116 2.519 7.183 8.898 1.00 51.52 C ATOM 1790 O SER A 116 2.555 6.341 9.796 1.00 12.13 O ATOM 1791 CB SER A 116 0.835 8.966 8.420 1.00 2.34 C ATOM 1792 OG SER A 116 0.739 9.241 9.813 1.00 32.41 O ATOM 0 H SER A 116 0.106 6.390 9.571 1.00 51.42 H new ATOM 0 HA SER A 116 1.368 7.343 7.092 1.00 32.03 H new ATOM 0 HB2 SER A 116 1.581 9.621 7.970 1.00 2.34 H new ATOM 0 HB3 SER A 116 -0.117 9.189 7.938 1.00 2.34 H new ATOM 0 HG SER A 116 0.499 10.182 9.945 1.00 32.41 H new ATOM 1798 N THR A 117 3.592 7.871 8.511 1.00 3.34 N ATOM 1799 CA THR A 117 4.884 7.766 9.207 1.00 73.02 C ATOM 1800 C THR A 117 4.821 8.419 10.600 1.00 20.24 C ATOM 1801 O THR A 117 3.804 9.007 10.972 1.00 2.23 O ATOM 1802 CB THR A 117 6.014 8.434 8.389 1.00 20.53 C ATOM 1803 OG1 THR A 117 5.645 9.781 8.055 1.00 60.54 O ATOM 1804 CG2 THR A 117 6.301 7.655 7.109 1.00 50.51 C ATOM 0 H THR A 117 3.597 8.511 7.717 1.00 3.34 H new ATOM 0 HA THR A 117 5.100 6.703 9.318 1.00 73.02 H new ATOM 0 HB THR A 117 6.916 8.439 9.001 1.00 20.53 H new ATOM 0 HG1 THR A 117 5.616 10.324 8.870 1.00 60.54 H new ATOM 0 HG21 THR A 117 7.100 8.148 6.554 1.00 50.51 H new ATOM 0 HG22 THR A 117 6.608 6.640 7.362 1.00 50.51 H new ATOM 0 HG23 THR A 117 5.401 7.620 6.495 1.00 50.51 H new ATOM 1812 N VAL A 118 5.904 8.311 11.375 1.00 75.52 N ATOM 1813 CA VAL A 118 5.943 8.902 12.722 1.00 72.32 C ATOM 1814 C VAL A 118 7.169 9.816 12.911 1.00 33.03 C ATOM 1815 O VAL A 118 8.184 9.390 13.461 1.00 33.51 O ATOM 1816 CB VAL A 118 5.947 7.809 13.829 1.00 63.13 C ATOM 1817 CG1 VAL A 118 5.833 8.442 15.217 1.00 1.24 C ATOM 1818 CG2 VAL A 118 4.829 6.789 13.598 1.00 0.24 C ATOM 0 H VAL A 118 6.758 7.826 11.100 1.00 75.52 H new ATOM 0 HA VAL A 118 5.038 9.502 12.817 1.00 72.32 H new ATOM 0 HB VAL A 118 6.898 7.279 13.776 1.00 63.13 H new ATOM 0 HG11 VAL A 118 5.838 7.659 15.975 1.00 1.24 H new ATOM 0 HG12 VAL A 118 6.677 9.112 15.382 1.00 1.24 H new ATOM 0 HG13 VAL A 118 4.903 9.007 15.284 1.00 1.24 H new ATOM 0 HG21 VAL A 118 4.855 6.036 14.386 1.00 0.24 H new ATOM 0 HG22 VAL A 118 3.865 7.297 13.612 1.00 0.24 H new ATOM 0 HG23 VAL A 118 4.971 6.307 12.631 1.00 0.24 H new ATOM 1828 N PHE A 119 7.068 11.045 12.390 1.00 32.21 N ATOM 1829 CA PHE A 119 8.059 12.126 12.598 1.00 41.35 C ATOM 1830 C PHE A 119 9.494 11.616 12.842 1.00 12.41 C ATOM 1831 O PHE A 119 9.982 11.613 13.977 1.00 1.12 O ATOM 1832 CB PHE A 119 7.611 13.022 13.766 1.00 11.02 C ATOM 1833 CG PHE A 119 6.199 13.543 13.619 1.00 1.25 C ATOM 1834 CD1 PHE A 119 5.120 12.793 14.063 1.00 22.20 C ATOM 1835 CD2 PHE A 119 5.951 14.779 13.034 1.00 31.42 C ATOM 1836 CE1 PHE A 119 3.826 13.259 13.925 1.00 33.30 C ATOM 1837 CE2 PHE A 119 4.658 15.250 12.895 1.00 53.21 C ATOM 1838 CZ PHE A 119 3.595 14.490 13.342 1.00 63.13 C ATOM 0 H PHE A 119 6.285 11.328 11.801 1.00 32.21 H new ATOM 0 HA PHE A 119 8.095 12.697 11.670 1.00 41.35 H new ATOM 0 HB2 PHE A 119 7.687 12.458 14.696 1.00 11.02 H new ATOM 0 HB3 PHE A 119 8.295 13.867 13.849 1.00 11.02 H new ATOM 0 HD1 PHE A 119 5.293 11.831 14.523 1.00 22.20 H new ATOM 0 HD2 PHE A 119 6.778 15.379 12.684 1.00 31.42 H new ATOM 0 HE1 PHE A 119 2.996 12.661 14.273 1.00 33.30 H new ATOM 0 HE2 PHE A 119 4.480 16.212 12.437 1.00 53.21 H new ATOM 0 HZ PHE A 119 2.585 14.857 13.236 1.00 63.13 H new ATOM 1848 N LYS A 120 10.165 11.177 11.779 1.00 10.31 N ATOM 1849 CA LYS A 120 11.534 10.658 11.897 1.00 60.21 C ATOM 1850 C LYS A 120 12.535 11.534 11.131 1.00 21.33 C ATOM 1851 O LYS A 120 12.403 11.742 9.922 1.00 3.44 O ATOM 1852 CB LYS A 120 11.611 9.209 11.392 1.00 52.34 C ATOM 1853 CG LYS A 120 12.976 8.563 11.618 1.00 24.10 C ATOM 1854 CD LYS A 120 13.000 7.097 11.195 1.00 13.00 C ATOM 1855 CE LYS A 120 14.311 6.419 11.584 1.00 33.02 C ATOM 1856 NZ LYS A 120 14.324 4.976 11.226 1.00 51.45 N ATOM 0 H LYS A 120 9.790 11.168 10.831 1.00 10.31 H new ATOM 0 HA LYS A 120 11.801 10.680 12.953 1.00 60.21 H new ATOM 0 HB2 LYS A 120 10.848 8.615 11.895 1.00 52.34 H new ATOM 0 HB3 LYS A 120 11.379 9.190 10.327 1.00 52.34 H new ATOM 0 HG2 LYS A 120 13.733 9.113 11.058 1.00 24.10 H new ATOM 0 HG3 LYS A 120 13.241 8.639 12.672 1.00 24.10 H new ATOM 0 HD2 LYS A 120 12.166 6.570 11.659 1.00 13.00 H new ATOM 0 HD3 LYS A 120 12.860 7.027 10.116 1.00 13.00 H new ATOM 0 HE2 LYS A 120 15.140 6.923 11.087 1.00 33.02 H new ATOM 0 HE3 LYS A 120 14.470 6.527 12.657 1.00 33.02 H new ATOM 0 HZ1 LYS A 120 15.233 4.556 11.508 1.00 51.45 H new ATOM 0 HZ2 LYS A 120 13.549 4.489 11.720 1.00 51.45 H new ATOM 0 HZ3 LYS A 120 14.199 4.872 10.199 1.00 51.45 H new ATOM 1870 N THR A 121 13.541 12.042 11.841 1.00 14.40 N ATOM 1871 CA THR A 121 14.562 12.909 11.238 1.00 62.24 C ATOM 1872 C THR A 121 15.615 12.100 10.464 1.00 1.22 C ATOM 1873 O THR A 121 16.538 11.523 11.045 1.00 12.41 O ATOM 1874 CB THR A 121 15.257 13.808 12.298 1.00 31.35 C ATOM 1875 OG1 THR A 121 16.339 14.540 11.701 1.00 4.25 O ATOM 1876 CG2 THR A 121 15.777 12.991 13.479 1.00 2.44 C ATOM 0 H THR A 121 13.674 11.870 12.837 1.00 14.40 H new ATOM 0 HA THR A 121 14.038 13.554 10.532 1.00 62.24 H new ATOM 0 HB THR A 121 14.509 14.506 12.673 1.00 31.35 H new ATOM 0 HG1 THR A 121 16.767 15.103 12.380 1.00 4.25 H new ATOM 0 HG21 THR A 121 16.256 13.655 14.198 1.00 2.44 H new ATOM 0 HG22 THR A 121 14.945 12.476 13.959 1.00 2.44 H new ATOM 0 HG23 THR A 121 16.501 12.258 13.124 1.00 2.44 H new ATOM 1884 N THR A 122 15.447 12.038 9.145 1.00 43.31 N ATOM 1885 CA THR A 122 16.379 11.316 8.263 1.00 30.15 C ATOM 1886 C THR A 122 17.422 12.257 7.636 1.00 72.14 C ATOM 1887 O THR A 122 18.578 12.273 8.117 1.00 38.01 O ATOM 1888 CB THR A 122 15.627 10.563 7.135 1.00 42.05 C ATOM 1889 OG1 THR A 122 14.817 11.474 6.376 1.00 61.31 O ATOM 1890 CG2 THR A 122 14.750 9.458 7.708 1.00 60.54 C ATOM 1891 OXT THR A 122 17.084 12.984 6.669 1.00 38.01 O ATOM 0 H THR A 122 14.670 12.481 8.655 1.00 43.31 H new ATOM 0 HA THR A 122 16.896 10.592 8.893 1.00 30.15 H new ATOM 0 HB THR A 122 16.373 10.114 6.480 1.00 42.05 H new ATOM 0 HG1 THR A 122 15.316 12.303 6.219 1.00 61.31 H new ATOM 0 HG21 THR A 122 14.234 8.946 6.896 1.00 60.54 H new ATOM 0 HG22 THR A 122 15.371 8.745 8.250 1.00 60.54 H new ATOM 0 HG23 THR A 122 14.017 9.891 8.388 1.00 60.54 H new TER 1899 THR A 122