USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1082 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 K(o=0,f=0.76) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot 134:sc= 0.486 USER MOD Set 3.2: A 93 THR OG1 : rot -110:sc= -0.0596 USER MOD Set 4.1: A 73 THR OG1 : rot 160:sc= 0 USER MOD Set 4.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 44 ASN : amide:sc= -0.0726 X(o=0.12,f=-0.034) USER MOD Set 5.2: A 47 HIS : no HE2:sc= 0.036 K(o=0.12,f=-1.3) USER MOD Set 5.3: A 64 THR OG1 : rot 68:sc= 0.154 USER MOD Set 6.1: A 1 MET CE :methyl -168:sc= 0 (180deg=-0.102) USER MOD Set 6.2: A 89 ASN : amide:sc= 0.352 X(o=0.35,f=-0.13) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.132 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -151:sc= 1.69 USER MOD Single : A 8 GLN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.571 X(o=-0.57,f=-0.52) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A -4 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.1) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HE2:sc= -0.0446 X(o=-0.045,f=-0.48) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A -7 HIS N :NH3+ -174:sc= 0 (180deg=-0.0393) USER MOD Single : A 10 GLN : amide:sc= -0.0909 X(o=-0.091,f=-0.091) USER MOD Single : A 11 SER OG : rot 45:sc= 0.232 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 14 ASN : amide:sc= 0.742 K(o=0.74,f=-0.33) USER MOD Single : A 19 MET CE :methyl -169:sc=-0.00352 (180deg=-0.155) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.839 K(o=0.84,f=-0.15) USER MOD Single : A 31 LYS NZ :NH3+ -125:sc= 0.731 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0598) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.217 K(o=0.22,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc=-0.00243 (180deg=-0.106) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 0.286 (180deg=0.226) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 61 ASN : amide:sc= 0.893 K(o=0.89,f=-5.1!) USER MOD Single : A 69 CYS SG : rot 5:sc= -0.184 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0.938 (180deg=0.937) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.75) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -108:sc= 0 (180deg=-1.14) USER MOD Single : A 97 ASN : amide:sc= -0.448 K(o=-0.45,f=-3.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -121:sc= 0.426 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 7.587 -28.437 -13.428 1.00 53.54 N ATOM 2 CA HIS A -7 7.937 -27.553 -12.266 1.00 73.55 C ATOM 3 C HIS A -7 6.968 -27.918 -11.118 1.00 35.32 C ATOM 4 O HIS A -7 7.433 -27.981 -9.981 1.00 32.42 O ATOM 5 CB HIS A -7 7.919 -26.044 -12.581 1.00 14.45 C ATOM 6 CG HIS A -7 9.101 -25.584 -13.393 1.00 61.54 C ATOM 7 ND1 HIS A -7 10.374 -25.500 -12.857 1.00 44.13 N ATOM 8 CD2 HIS A -7 9.219 -25.163 -14.700 1.00 52.03 C ATOM 9 CE1 HIS A -7 11.180 -25.056 -13.826 1.00 12.44 C ATOM 10 NE2 HIS A -7 10.549 -24.836 -14.973 1.00 53.30 N ATOM 0 H1 HIS A -7 8.280 -28.298 -14.191 1.00 53.54 H new ATOM 0 H2 HIS A -7 7.602 -29.432 -13.124 1.00 53.54 H new ATOM 0 H3 HIS A -7 6.637 -28.195 -13.775 1.00 53.54 H new ATOM 0 HA HIS A -7 8.974 -27.736 -11.985 1.00 73.55 H new ATOM 0 HB2 HIS A -7 7.003 -25.805 -13.121 1.00 14.45 H new ATOM 0 HB3 HIS A -7 7.892 -25.486 -11.645 1.00 14.45 H new ATOM 0 HD2 HIS A -7 8.405 -25.096 -15.407 1.00 52.03 H new ATOM 0 HE1 HIS A -7 12.239 -24.893 -13.690 1.00 12.44 H new ATOM 0 HE2 HIS A -7 10.945 -24.504 -15.852 1.00 53.30 H new ATOM 18 N HIS A -6 5.648 -28.036 -11.400 1.00 53.05 N ATOM 19 CA HIS A -6 4.539 -28.447 -10.514 1.00 35.03 C ATOM 20 C HIS A -6 4.417 -27.739 -9.140 1.00 24.41 C ATOM 21 O HIS A -6 3.727 -28.257 -8.265 1.00 34.34 O ATOM 22 CB HIS A -6 4.477 -29.996 -10.413 1.00 51.31 C ATOM 23 CG HIS A -6 5.707 -30.708 -9.896 1.00 14.31 C ATOM 24 ND1 HIS A -6 6.261 -30.468 -8.648 1.00 73.41 N ATOM 25 CD2 HIS A -6 6.521 -31.650 -10.484 1.00 23.21 C ATOM 26 CE1 HIS A -6 7.354 -31.229 -8.548 1.00 72.24 C ATOM 27 NE2 HIS A -6 7.575 -31.973 -9.625 1.00 72.33 N ATOM 0 H HIS A -6 5.305 -27.827 -12.337 1.00 53.05 H new ATOM 0 HA HIS A -6 3.644 -28.075 -11.012 1.00 35.03 H new ATOM 0 HB2 HIS A -6 3.639 -30.258 -9.767 1.00 51.31 H new ATOM 0 HB3 HIS A -6 4.251 -30.390 -11.404 1.00 51.31 H new ATOM 0 HD1 HIS A -6 5.901 -29.829 -7.939 1.00 73.41 H new ATOM 0 HD2 HIS A -6 6.368 -32.076 -11.464 1.00 23.21 H new ATOM 0 HE1 HIS A -6 7.994 -31.238 -7.678 1.00 72.24 H new ATOM 35 N HIS A -5 5.097 -26.589 -8.973 1.00 50.43 N ATOM 36 CA HIS A -5 5.382 -25.885 -7.713 1.00 55.13 C ATOM 37 C HIS A -5 6.332 -26.675 -6.787 1.00 13.31 C ATOM 38 O HIS A -5 6.428 -27.900 -6.881 1.00 52.24 O ATOM 39 CB HIS A -5 4.096 -25.413 -7.000 1.00 1.34 C ATOM 40 CG HIS A -5 3.225 -24.537 -7.867 1.00 10.41 C ATOM 41 ND1 HIS A -5 2.185 -25.034 -8.634 1.00 13.43 N ATOM 42 CD2 HIS A -5 3.246 -23.180 -8.107 1.00 10.01 C ATOM 43 CE1 HIS A -5 1.652 -24.001 -9.292 1.00 62.12 C ATOM 44 NE2 HIS A -5 2.248 -22.846 -9.025 1.00 1.30 N ATOM 0 H HIS A -5 5.489 -26.094 -9.774 1.00 50.43 H new ATOM 0 HA HIS A -5 5.926 -24.980 -7.984 1.00 55.13 H new ATOM 0 HB2 HIS A -5 3.523 -26.284 -6.683 1.00 1.34 H new ATOM 0 HB3 HIS A -5 4.368 -24.865 -6.098 1.00 1.34 H new ATOM 0 HD2 HIS A -5 3.932 -22.480 -7.653 1.00 10.01 H new ATOM 0 HE1 HIS A -5 0.819 -24.096 -9.973 1.00 62.12 H new ATOM 0 HE2 HIS A -5 2.028 -21.925 -9.404 1.00 1.30 H new ATOM 52 N HIS A -4 7.059 -25.931 -5.938 1.00 5.50 N ATOM 53 CA HIS A -4 8.213 -26.403 -5.160 1.00 1.40 C ATOM 54 C HIS A -4 7.929 -27.609 -4.247 1.00 2.12 C ATOM 55 O HIS A -4 8.685 -28.579 -4.288 1.00 34.13 O ATOM 56 CB HIS A -4 8.795 -25.236 -4.330 1.00 34.44 C ATOM 57 CG HIS A -4 9.050 -23.946 -5.074 1.00 60.11 C ATOM 58 ND1 HIS A -4 9.063 -22.718 -4.435 1.00 43.31 N ATOM 59 CD2 HIS A -4 9.298 -23.672 -6.403 1.00 2.15 C ATOM 60 CE1 HIS A -4 9.291 -21.789 -5.365 1.00 64.34 C ATOM 61 NE2 HIS A -4 9.444 -22.294 -6.584 1.00 55.02 N ATOM 0 H HIS A -4 6.850 -24.947 -5.769 1.00 5.50 H new ATOM 0 HA HIS A -4 8.937 -26.760 -5.893 1.00 1.40 H new ATOM 0 HB2 HIS A -4 8.111 -25.027 -3.508 1.00 34.44 H new ATOM 0 HB3 HIS A -4 9.734 -25.567 -3.887 1.00 34.44 H new ATOM 0 HD2 HIS A -4 9.369 -24.412 -7.187 1.00 2.15 H new ATOM 0 HE1 HIS A -4 9.346 -20.732 -5.148 1.00 64.34 H new ATOM 0 HE2 HIS A -4 9.626 -21.791 -7.453 1.00 55.02 H new ATOM 69 N HIS A -3 6.854 -27.513 -3.448 1.00 31.43 N ATOM 70 CA HIS A -3 6.456 -28.499 -2.435 1.00 62.02 C ATOM 71 C HIS A -3 5.112 -28.102 -1.806 1.00 24.05 C ATOM 72 O HIS A -3 4.232 -28.948 -1.663 1.00 33.32 O ATOM 73 CB HIS A -3 7.554 -28.685 -1.348 1.00 13.35 C ATOM 74 CG HIS A -3 8.137 -27.416 -0.759 1.00 62.32 C ATOM 75 ND1 HIS A -3 7.576 -26.746 0.315 1.00 40.41 N ATOM 76 CD2 HIS A -3 9.262 -26.692 -1.092 1.00 42.41 C ATOM 77 CE1 HIS A -3 8.333 -25.671 0.553 1.00 21.53 C ATOM 78 NE2 HIS A -3 9.370 -25.569 -0.268 1.00 24.14 N ATOM 0 H HIS A -3 6.217 -26.718 -3.493 1.00 31.43 H new ATOM 0 HA HIS A -3 6.335 -29.462 -2.932 1.00 62.02 H new ATOM 0 HB2 HIS A -3 7.134 -29.278 -0.535 1.00 13.35 H new ATOM 0 HB3 HIS A -3 8.368 -29.267 -1.780 1.00 13.35 H new ATOM 0 HD2 HIS A -3 9.958 -26.955 -1.875 1.00 42.41 H new ATOM 0 HE1 HIS A -3 8.122 -24.957 1.335 1.00 21.53 H new ATOM 0 HE2 HIS A -3 10.082 -24.839 -0.292 1.00 24.14 H new ATOM 86 N HIS A -2 4.991 -26.816 -1.449 1.00 21.35 N ATOM 87 CA HIS A -2 3.843 -26.188 -0.804 1.00 55.22 C ATOM 88 C HIS A -2 3.776 -24.720 -1.274 1.00 65.41 C ATOM 89 O HIS A -2 4.632 -24.301 -2.060 1.00 24.41 O ATOM 90 CB HIS A -2 3.992 -26.343 0.730 1.00 73.10 C ATOM 91 CG HIS A -2 2.771 -26.002 1.551 1.00 43.54 C ATOM 92 ND1 HIS A -2 1.565 -26.670 1.424 1.00 70.30 N ATOM 93 CD2 HIS A -2 2.563 -25.049 2.523 1.00 25.05 C ATOM 94 CE1 HIS A -2 0.712 -26.111 2.285 1.00 11.32 C ATOM 95 NE2 HIS A -2 1.247 -25.117 2.983 1.00 4.13 N ATOM 0 H HIS A -2 5.744 -26.149 -1.616 1.00 21.35 H new ATOM 0 HA HIS A -2 2.900 -26.661 -1.078 1.00 55.22 H new ATOM 0 HB2 HIS A -2 4.274 -27.374 0.945 1.00 73.10 H new ATOM 0 HB3 HIS A -2 4.816 -25.711 1.061 1.00 73.10 H new ATOM 0 HD2 HIS A -2 3.308 -24.352 2.877 1.00 25.05 H new ATOM 0 HE1 HIS A -2 -0.312 -26.435 2.402 1.00 11.32 H new ATOM 0 HE2 HIS A -2 0.799 -24.536 3.692 1.00 4.13 H new ATOM 103 N VAL A -1 2.754 -23.972 -0.819 1.00 10.11 N ATOM 104 CA VAL A -1 2.501 -22.582 -1.216 1.00 42.51 C ATOM 105 C VAL A -1 3.715 -21.659 -0.962 1.00 22.22 C ATOM 106 O VAL A -1 4.198 -21.555 0.166 1.00 4.13 O ATOM 107 CB VAL A -1 1.222 -21.982 -0.558 1.00 30.15 C ATOM 108 CG1 VAL A -1 -0.035 -22.774 -0.962 1.00 3.44 C ATOM 109 CG2 VAL A -1 1.268 -21.787 0.971 1.00 3.34 C ATOM 0 H VAL A -1 2.069 -24.328 -0.152 1.00 10.11 H new ATOM 0 HA VAL A -1 2.329 -22.626 -2.291 1.00 42.51 H new ATOM 0 HB VAL A -1 1.177 -20.970 -0.960 1.00 30.15 H new ATOM 0 HG11 VAL A -1 -0.911 -22.332 -0.488 1.00 3.44 H new ATOM 0 HG12 VAL A -1 -0.153 -22.741 -2.045 1.00 3.44 H new ATOM 0 HG13 VAL A -1 0.068 -23.810 -0.640 1.00 3.44 H new ATOM 0 HG21 VAL A -1 0.323 -21.364 1.312 1.00 3.34 H new ATOM 0 HG22 VAL A -1 1.431 -22.750 1.456 1.00 3.34 H new ATOM 0 HG23 VAL A -1 2.083 -21.109 1.227 1.00 3.34 H new ATOM 119 N ALA A 0 4.212 -21.070 -2.057 1.00 63.02 N ATOM 120 CA ALA A 0 5.422 -20.252 -2.109 1.00 75.14 C ATOM 121 C ALA A 0 5.114 -18.942 -2.846 1.00 52.10 C ATOM 122 O ALA A 0 5.863 -18.533 -3.735 1.00 75.20 O ATOM 123 CB ALA A 0 6.548 -21.074 -2.764 1.00 24.12 C ATOM 0 H ALA A 0 3.760 -21.156 -2.967 1.00 63.02 H new ATOM 0 HA ALA A 0 5.763 -19.977 -1.111 1.00 75.14 H new ATOM 0 HB1 ALA A 0 7.457 -20.475 -2.809 1.00 24.12 H new ATOM 0 HB2 ALA A 0 6.734 -21.971 -2.174 1.00 24.12 H new ATOM 0 HB3 ALA A 0 6.251 -21.359 -3.773 1.00 24.12 H new ATOM 129 N MET A 1 3.987 -18.324 -2.462 1.00 5.35 N ATOM 130 CA MET A 1 3.444 -17.109 -3.063 1.00 75.43 C ATOM 131 C MET A 1 2.588 -16.333 -2.047 1.00 42.13 C ATOM 132 O MET A 1 1.615 -15.691 -2.445 1.00 51.24 O ATOM 133 CB MET A 1 2.685 -17.448 -4.368 1.00 62.32 C ATOM 134 CG MET A 1 1.485 -18.403 -4.192 1.00 43.24 C ATOM 135 SD MET A 1 0.164 -18.193 -5.415 1.00 51.02 S ATOM 136 CE MET A 1 -0.553 -16.623 -4.850 1.00 72.33 C ATOM 0 H MET A 1 3.412 -18.674 -1.696 1.00 5.35 H new ATOM 0 HA MET A 1 4.263 -16.446 -3.340 1.00 75.43 H new ATOM 0 HB2 MET A 1 2.330 -16.520 -4.816 1.00 62.32 H new ATOM 0 HB3 MET A 1 3.386 -17.895 -5.073 1.00 62.32 H new ATOM 0 HG2 MET A 1 1.846 -19.430 -4.240 1.00 43.24 H new ATOM 0 HG3 MET A 1 1.066 -18.258 -3.196 1.00 43.24 H new ATOM 0 HE1 MET A 1 -1.504 -16.454 -5.356 1.00 72.33 H new ATOM 0 HE2 MET A 1 -0.717 -16.665 -3.773 1.00 72.33 H new ATOM 0 HE3 MET A 1 0.131 -15.806 -5.082 1.00 72.33 H new ATOM 146 N SER A 2 2.955 -16.387 -0.756 1.00 23.44 N ATOM 147 CA SER A 2 2.349 -15.555 0.281 1.00 34.33 C ATOM 148 C SER A 2 2.886 -14.115 0.197 1.00 60.43 C ATOM 149 O SER A 2 4.061 -13.910 -0.116 1.00 70.02 O ATOM 150 CB SER A 2 2.562 -16.206 1.665 1.00 73.21 C ATOM 151 OG SER A 2 3.907 -16.157 2.100 1.00 2.05 O ATOM 0 H SER A 2 3.682 -17.012 -0.408 1.00 23.44 H new ATOM 0 HA SER A 2 1.272 -15.489 0.123 1.00 34.33 H new ATOM 0 HB2 SER A 2 1.931 -15.703 2.398 1.00 73.21 H new ATOM 0 HB3 SER A 2 2.237 -17.246 1.625 1.00 73.21 H new ATOM 0 HG SER A 2 3.982 -16.581 2.980 1.00 2.05 H new ATOM 157 N PHE A 3 2.007 -13.147 0.497 1.00 23.45 N ATOM 158 CA PHE A 3 2.339 -11.722 0.564 1.00 2.14 C ATOM 159 C PHE A 3 3.323 -11.355 1.693 1.00 52.53 C ATOM 160 O PHE A 3 3.893 -10.270 1.634 1.00 51.21 O ATOM 161 CB PHE A 3 1.052 -10.897 0.747 1.00 34.04 C ATOM 162 CG PHE A 3 0.154 -10.706 -0.461 1.00 74.30 C ATOM 163 CD1 PHE A 3 0.169 -9.482 -1.166 1.00 13.25 C ATOM 164 CD2 PHE A 3 -0.670 -11.755 -0.922 1.00 40.41 C ATOM 165 CE1 PHE A 3 -0.681 -9.293 -2.246 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.510 -11.546 -2.008 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.532 -10.314 -2.649 1.00 64.41 C ATOM 0 H PHE A 3 1.027 -13.340 0.703 1.00 23.45 H new ATOM 0 HA PHE A 3 2.835 -11.489 -0.378 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.461 -11.369 1.532 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.336 -9.910 1.112 1.00 34.04 H new ATOM 0 HD1 PHE A 3 0.842 -8.693 -0.864 1.00 13.25 H new ATOM 0 HD2 PHE A 3 -0.647 -12.717 -0.432 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -0.681 -8.351 -2.774 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -2.149 -12.345 -2.356 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.217 -10.149 -3.468 1.00 64.41 H new ATOM 177 N SER A 4 3.477 -12.231 2.700 1.00 22.24 N ATOM 178 CA SER A 4 4.253 -12.019 3.924 1.00 22.20 C ATOM 179 C SER A 4 5.735 -11.667 3.685 1.00 22.44 C ATOM 180 O SER A 4 6.376 -12.295 2.841 1.00 34.43 O ATOM 181 CB SER A 4 4.129 -13.275 4.805 1.00 73.43 C ATOM 182 OG SER A 4 2.822 -13.372 5.336 1.00 61.14 O ATOM 0 H SER A 4 3.039 -13.152 2.677 1.00 22.24 H new ATOM 0 HA SER A 4 3.834 -11.145 4.423 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.358 -14.164 4.217 1.00 73.43 H new ATOM 0 HB3 SER A 4 4.857 -13.233 5.616 1.00 73.43 H new ATOM 0 HG SER A 4 2.754 -14.175 5.893 1.00 61.14 H new ATOM 188 N GLY A 5 6.251 -10.697 4.461 1.00 55.21 N ATOM 189 CA GLY A 5 7.648 -10.264 4.416 1.00 62.30 C ATOM 190 C GLY A 5 7.757 -8.744 4.604 1.00 12.11 C ATOM 191 O GLY A 5 6.767 -8.056 4.853 1.00 5.45 O ATOM 0 H GLY A 5 5.694 -10.187 5.147 1.00 55.21 H new ATOM 0 HA2 GLY A 5 8.216 -10.772 5.195 1.00 62.30 H new ATOM 0 HA3 GLY A 5 8.091 -10.549 3.462 1.00 62.30 H new ATOM 195 N LYS A 6 8.995 -8.242 4.473 1.00 62.03 N ATOM 196 CA LYS A 6 9.370 -6.824 4.484 1.00 45.11 C ATOM 197 C LYS A 6 9.789 -6.407 3.065 1.00 1.54 C ATOM 198 O LYS A 6 10.441 -7.197 2.382 1.00 41.23 O ATOM 199 CB LYS A 6 10.550 -6.632 5.459 1.00 53.32 C ATOM 200 CG LYS A 6 10.167 -6.747 6.948 1.00 72.05 C ATOM 201 CD LYS A 6 11.156 -7.551 7.801 1.00 60.24 C ATOM 202 CE LYS A 6 11.089 -9.064 7.539 1.00 31.03 C ATOM 203 NZ LYS A 6 11.997 -9.797 8.435 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.804 -8.851 4.350 1.00 62.03 H new ATOM 0 HA LYS A 6 8.529 -6.210 4.805 1.00 45.11 H new ATOM 0 HB2 LYS A 6 11.316 -7.374 5.235 1.00 53.32 H new ATOM 0 HB3 LYS A 6 10.995 -5.652 5.285 1.00 53.32 H new ATOM 0 HG2 LYS A 6 10.079 -5.744 7.366 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.183 -7.210 7.022 1.00 72.05 H new ATOM 0 HD2 LYS A 6 12.168 -7.199 7.602 1.00 60.24 H new ATOM 0 HD3 LYS A 6 10.954 -7.362 8.855 1.00 60.24 H new ATOM 0 HE2 LYS A 6 10.068 -9.416 7.683 1.00 31.03 H new ATOM 0 HE3 LYS A 6 11.353 -9.269 6.501 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 11.932 -10.816 8.237 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 12.974 -9.475 8.279 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 11.728 -9.619 9.424 1.00 25.41 H new ATOM 217 N TYR A 7 9.407 -5.185 2.654 1.00 52.01 N ATOM 218 CA TYR A 7 9.541 -4.678 1.285 1.00 55.21 C ATOM 219 C TYR A 7 9.914 -3.189 1.309 1.00 73.55 C ATOM 220 O TYR A 7 9.051 -2.359 1.591 1.00 72.24 O ATOM 221 CB TYR A 7 8.215 -4.887 0.507 1.00 63.20 C ATOM 222 CG TYR A 7 7.697 -6.311 0.481 1.00 53.41 C ATOM 223 CD1 TYR A 7 8.140 -7.202 -0.514 1.00 60.51 C ATOM 224 CD2 TYR A 7 6.782 -6.753 1.461 1.00 23.35 C ATOM 225 CE1 TYR A 7 7.701 -8.538 -0.516 1.00 40.33 C ATOM 226 CE2 TYR A 7 6.349 -8.090 1.464 1.00 34.11 C ATOM 227 CZ TYR A 7 6.819 -8.983 0.483 1.00 61.45 C ATOM 228 OH TYR A 7 6.417 -10.282 0.491 1.00 53.42 O ATOM 0 H TYR A 7 8.985 -4.506 3.287 1.00 52.01 H new ATOM 0 HA TYR A 7 10.334 -5.230 0.780 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.450 -4.248 0.947 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.359 -4.551 -0.520 1.00 63.20 H new ATOM 0 HD1 TYR A 7 8.820 -6.858 -1.279 1.00 60.51 H new ATOM 0 HD2 TYR A 7 6.415 -6.064 2.208 1.00 23.35 H new ATOM 0 HE1 TYR A 7 8.040 -9.219 -1.282 1.00 40.33 H new ATOM 0 HE2 TYR A 7 5.656 -8.432 2.219 1.00 34.11 H new ATOM 0 HH TYR A 7 5.522 -10.345 0.886 1.00 53.42 H new ATOM 238 N GLN A 8 11.180 -2.866 0.993 1.00 1.02 N ATOM 239 CA GLN A 8 11.665 -1.486 0.880 1.00 62.04 C ATOM 240 C GLN A 8 11.084 -0.793 -0.366 1.00 10.20 C ATOM 241 O GLN A 8 11.028 -1.417 -1.425 1.00 44.43 O ATOM 242 CB GLN A 8 13.208 -1.484 0.825 1.00 2.50 C ATOM 243 CG GLN A 8 13.840 -0.076 0.950 1.00 63.23 C ATOM 244 CD GLN A 8 15.225 -0.003 0.310 1.00 52.24 C ATOM 245 OE1 GLN A 8 16.172 -0.615 0.797 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.349 0.752 -0.783 1.00 2.00 N ATOM 0 H GLN A 8 11.900 -3.565 0.808 1.00 1.02 H new ATOM 0 HA GLN A 8 11.333 -0.928 1.756 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.591 -2.115 1.627 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.529 -1.933 -0.115 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.185 0.657 0.478 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.914 0.194 2.003 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.538 1.245 -1.157 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.255 0.836 -1.245 1.00 2.00 H new ATOM 255 N LEU A 9 10.740 0.500 -0.223 1.00 0.12 N ATOM 256 CA LEU A 9 10.420 1.426 -1.313 1.00 63.33 C ATOM 257 C LEU A 9 11.582 1.531 -2.317 1.00 42.21 C ATOM 258 O LEU A 9 12.698 1.872 -1.918 1.00 34.12 O ATOM 259 CB LEU A 9 10.084 2.814 -0.709 1.00 4.51 C ATOM 260 CG LEU A 9 9.715 3.920 -1.732 1.00 14.33 C ATOM 261 CD1 LEU A 9 8.437 3.564 -2.517 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.612 5.304 -1.055 1.00 73.22 C ATOM 0 H LEU A 9 10.676 0.941 0.694 1.00 0.12 H new ATOM 0 HA LEU A 9 9.557 1.048 -1.861 1.00 63.33 H new ATOM 0 HB2 LEU A 9 9.253 2.696 -0.014 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.941 3.154 -0.127 1.00 4.51 H new ATOM 0 HG LEU A 9 10.526 3.979 -2.458 1.00 14.33 H new ATOM 0 HD11 LEU A 9 8.210 4.362 -3.224 1.00 40.25 H new ATOM 0 HD12 LEU A 9 8.591 2.631 -3.060 1.00 40.25 H new ATOM 0 HD13 LEU A 9 7.605 3.446 -1.823 1.00 40.25 H new ATOM 0 HD21 LEU A 9 9.352 6.055 -1.801 1.00 73.22 H new ATOM 0 HD22 LEU A 9 8.842 5.276 -0.284 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.570 5.559 -0.601 1.00 73.22 H new ATOM 274 N GLN A 10 11.280 1.269 -3.597 1.00 32.14 N ATOM 275 CA GLN A 10 12.211 1.443 -4.709 1.00 23.51 C ATOM 276 C GLN A 10 11.952 2.771 -5.426 1.00 33.04 C ATOM 277 O GLN A 10 12.901 3.522 -5.651 1.00 11.12 O ATOM 278 CB GLN A 10 12.092 0.254 -5.692 1.00 41.22 C ATOM 279 CG GLN A 10 12.455 -1.118 -5.091 1.00 70.53 C ATOM 280 CD GLN A 10 13.862 -1.162 -4.489 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.843 -0.867 -5.167 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.965 -1.537 -3.210 1.00 41.31 N ATOM 0 H GLN A 10 10.365 0.925 -3.888 1.00 32.14 H new ATOM 0 HA GLN A 10 13.227 1.466 -4.315 1.00 23.51 H new ATOM 0 HB2 GLN A 10 11.070 0.212 -6.068 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.739 0.443 -6.549 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.729 -1.372 -4.319 1.00 70.53 H new ATOM 0 HG3 GLN A 10 12.375 -1.879 -5.867 1.00 70.53 H new ATOM 0 HE21 GLN A 10 13.127 -1.774 -2.679 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.882 -1.586 -2.765 1.00 41.31 H new ATOM 291 N SER A 11 10.679 3.037 -5.764 1.00 22.42 N ATOM 292 CA SER A 11 10.258 4.200 -6.540 1.00 54.22 C ATOM 293 C SER A 11 8.747 4.430 -6.413 1.00 43.15 C ATOM 294 O SER A 11 8.026 3.562 -5.924 1.00 65.41 O ATOM 295 CB SER A 11 10.694 4.034 -8.017 1.00 55.50 C ATOM 296 OG SER A 11 11.916 4.706 -8.241 1.00 21.52 O ATOM 0 H SER A 11 9.903 2.432 -5.496 1.00 22.42 H new ATOM 0 HA SER A 11 10.747 5.088 -6.140 1.00 54.22 H new ATOM 0 HB2 SER A 11 10.803 2.976 -8.255 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.925 4.432 -8.678 1.00 55.50 H new ATOM 0 HG SER A 11 12.539 4.505 -7.511 1.00 21.52 H new ATOM 302 N GLN A 12 8.299 5.609 -6.867 1.00 52.11 N ATOM 303 CA GLN A 12 6.900 6.025 -6.848 1.00 10.15 C ATOM 304 C GLN A 12 6.645 7.125 -7.888 1.00 32.44 C ATOM 305 O GLN A 12 7.554 7.894 -8.205 1.00 14.54 O ATOM 306 CB GLN A 12 6.469 6.403 -5.408 1.00 74.31 C ATOM 307 CG GLN A 12 7.304 7.518 -4.737 1.00 73.50 C ATOM 308 CD GLN A 12 7.072 7.621 -3.226 1.00 72.40 C ATOM 309 OE1 GLN A 12 6.110 7.075 -2.687 1.00 42.42 O ATOM 310 NE2 GLN A 12 7.958 8.337 -2.532 1.00 0.03 N ATOM 0 H GLN A 12 8.919 6.313 -7.266 1.00 52.11 H new ATOM 0 HA GLN A 12 6.264 5.190 -7.143 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.426 6.717 -5.430 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.520 5.510 -4.785 1.00 74.31 H new ATOM 0 HG2 GLN A 12 8.362 7.333 -4.924 1.00 73.50 H new ATOM 0 HG3 GLN A 12 7.061 8.474 -5.201 1.00 73.50 H new ATOM 0 HE21 GLN A 12 8.745 8.777 -3.010 1.00 0.03 H new ATOM 0 HE22 GLN A 12 7.849 8.445 -1.524 1.00 0.03 H new ATOM 319 N GLU A 13 5.409 7.150 -8.407 1.00 45.34 N ATOM 320 CA GLU A 13 4.954 8.023 -9.488 1.00 24.53 C ATOM 321 C GLU A 13 3.656 8.727 -9.068 1.00 22.40 C ATOM 322 O GLU A 13 2.809 8.105 -8.426 1.00 5.02 O ATOM 323 CB GLU A 13 4.759 7.169 -10.760 1.00 33.31 C ATOM 324 CG GLU A 13 4.281 7.959 -11.997 1.00 43.25 C ATOM 325 CD GLU A 13 4.010 7.098 -13.232 1.00 23.35 C ATOM 326 OE1 GLU A 13 3.432 7.667 -14.183 1.00 25.34 O ATOM 327 OE2 GLU A 13 4.365 5.898 -13.213 1.00 32.21 O1- ATOM 0 H GLU A 13 4.671 6.534 -8.067 1.00 45.34 H new ATOM 0 HA GLU A 13 5.693 8.796 -9.700 1.00 24.53 H new ATOM 0 HB2 GLU A 13 5.702 6.679 -11.001 1.00 33.31 H new ATOM 0 HB3 GLU A 13 4.036 6.382 -10.546 1.00 33.31 H new ATOM 0 HG2 GLU A 13 3.370 8.498 -11.738 1.00 43.25 H new ATOM 0 HG3 GLU A 13 5.033 8.706 -12.248 1.00 43.25 H new ATOM 334 N ASN A 14 3.533 10.011 -9.455 1.00 13.20 N ATOM 335 CA ASN A 14 2.422 10.930 -9.150 1.00 14.42 C ATOM 336 C ASN A 14 2.207 11.128 -7.634 1.00 73.35 C ATOM 337 O ASN A 14 1.082 11.399 -7.212 1.00 12.12 O ATOM 338 CB ASN A 14 1.119 10.521 -9.891 1.00 70.55 C ATOM 339 CG ASN A 14 1.233 10.575 -11.419 1.00 40.33 C ATOM 340 OD1 ASN A 14 1.817 11.504 -11.971 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.657 9.591 -12.111 1.00 12.33 N ATOM 0 H ASN A 14 4.251 10.461 -10.023 1.00 13.20 H new ATOM 0 HA ASN A 14 2.711 11.908 -9.534 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.844 9.509 -9.592 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.310 11.178 -9.573 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.694 9.595 -13.130 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.180 8.834 -11.621 1.00 12.33 H new ATOM 348 N PHE A 15 3.296 11.006 -6.852 1.00 42.24 N ATOM 349 CA PHE A 15 3.330 11.207 -5.405 1.00 12.22 C ATOM 350 C PHE A 15 2.863 12.612 -5.013 1.00 44.34 C ATOM 351 O PHE A 15 1.966 12.728 -4.189 1.00 11.34 O ATOM 352 CB PHE A 15 4.740 10.888 -4.851 1.00 35.14 C ATOM 353 CG PHE A 15 4.926 11.092 -3.353 1.00 0.45 C ATOM 354 CD1 PHE A 15 5.203 12.375 -2.832 1.00 63.43 C ATOM 355 CD2 PHE A 15 4.657 10.043 -2.448 1.00 61.51 C ATOM 356 CE1 PHE A 15 5.273 12.569 -1.462 1.00 31.02 C ATOM 357 CE2 PHE A 15 4.763 10.251 -1.080 1.00 10.43 C ATOM 358 CZ PHE A 15 5.079 11.511 -0.589 1.00 3.43 C ATOM 0 H PHE A 15 4.208 10.755 -7.233 1.00 42.24 H new ATOM 0 HA PHE A 15 2.625 10.512 -4.949 1.00 12.22 H new ATOM 0 HB2 PHE A 15 4.977 9.851 -5.089 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.465 11.510 -5.376 1.00 35.14 H new ATOM 0 HD1 PHE A 15 5.361 13.207 -3.503 1.00 63.43 H new ATOM 0 HD2 PHE A 15 4.367 9.072 -2.822 1.00 61.51 H new ATOM 0 HE1 PHE A 15 5.481 13.554 -1.071 1.00 31.02 H new ATOM 0 HE2 PHE A 15 4.599 9.431 -0.396 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.174 11.666 0.476 1.00 3.43 H new ATOM 368 N GLU A 16 3.473 13.636 -5.627 1.00 1.55 N ATOM 369 CA GLU A 16 3.252 15.046 -5.312 1.00 11.22 C ATOM 370 C GLU A 16 1.833 15.536 -5.642 1.00 51.52 C ATOM 371 O GLU A 16 1.293 16.340 -4.884 1.00 62.13 O ATOM 372 CB GLU A 16 4.325 15.897 -6.016 1.00 73.44 C ATOM 373 CG GLU A 16 5.766 15.487 -5.650 1.00 44.03 C ATOM 374 CD GLU A 16 6.813 16.321 -6.386 1.00 73.15 C ATOM 375 OE1 GLU A 16 6.790 17.557 -6.209 1.00 1.33 O ATOM 376 OE2 GLU A 16 7.633 15.703 -7.100 1.00 53.41 O1- ATOM 0 H GLU A 16 4.151 13.498 -6.376 1.00 1.55 H new ATOM 0 HA GLU A 16 3.343 15.160 -4.232 1.00 11.22 H new ATOM 0 HB2 GLU A 16 4.194 15.814 -7.095 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.176 16.945 -5.756 1.00 73.44 H new ATOM 0 HG2 GLU A 16 5.910 15.595 -4.575 1.00 44.03 H new ATOM 0 HG3 GLU A 16 5.912 14.433 -5.887 1.00 44.03 H new ATOM 383 N ALA A 17 1.245 15.010 -6.732 1.00 1.05 N ATOM 384 CA ALA A 17 -0.137 15.266 -7.139 1.00 12.24 C ATOM 385 C ALA A 17 -1.166 14.630 -6.188 1.00 4.04 C ATOM 386 O ALA A 17 -2.162 15.276 -5.864 1.00 65.25 O ATOM 387 CB ALA A 17 -0.339 14.754 -8.574 1.00 32.13 C ATOM 0 H ALA A 17 1.736 14.380 -7.366 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.306 16.342 -7.095 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.367 14.941 -8.886 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.344 15.274 -9.245 1.00 32.13 H new ATOM 0 HB3 ALA A 17 -0.138 13.683 -8.610 1.00 32.13 H new ATOM 393 N PHE A 18 -0.894 13.388 -5.757 1.00 52.01 N ATOM 394 CA PHE A 18 -1.744 12.595 -4.869 1.00 64.21 C ATOM 395 C PHE A 18 -1.661 13.030 -3.400 1.00 44.51 C ATOM 396 O PHE A 18 -2.692 13.070 -2.730 1.00 52.34 O ATOM 397 CB PHE A 18 -1.380 11.113 -5.067 1.00 12.02 C ATOM 398 CG PHE A 18 -2.075 10.074 -4.200 1.00 33.13 C ATOM 399 CD1 PHE A 18 -1.553 9.741 -2.934 1.00 2.05 C ATOM 400 CD2 PHE A 18 -3.283 9.477 -4.620 1.00 22.11 C ATOM 401 CE1 PHE A 18 -2.189 8.798 -2.140 1.00 10.12 C ATOM 402 CE2 PHE A 18 -3.893 8.519 -3.819 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.353 8.187 -2.586 1.00 10.15 C ATOM 0 H PHE A 18 -0.044 12.895 -6.030 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.788 12.760 -5.135 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.575 10.860 -6.109 1.00 12.02 H new ATOM 0 HB3 PHE A 18 -0.306 11.011 -4.910 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -0.653 10.222 -2.580 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -3.731 9.763 -5.560 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -1.779 8.539 -1.175 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -4.794 8.030 -4.159 1.00 65.33 H new ATOM 0 HZ PHE A 18 -3.841 7.448 -1.968 1.00 10.15 H new ATOM 413 N MET A 19 -0.444 13.360 -2.931 1.00 62.31 N ATOM 414 CA MET A 19 -0.180 13.831 -1.573 1.00 51.31 C ATOM 415 C MET A 19 -0.699 15.267 -1.341 1.00 14.44 C ATOM 416 O MET A 19 -1.073 15.593 -0.215 1.00 65.41 O ATOM 417 CB MET A 19 1.311 13.650 -1.211 1.00 62.30 C ATOM 418 CG MET A 19 1.537 13.382 0.290 1.00 22.14 C ATOM 419 SD MET A 19 1.929 11.675 0.791 1.00 35.13 S ATOM 420 CE MET A 19 0.737 10.686 -0.148 1.00 52.42 C ATOM 0 H MET A 19 0.398 13.303 -3.504 1.00 62.31 H new ATOM 0 HA MET A 19 -0.749 13.209 -0.882 1.00 51.31 H new ATOM 0 HB2 MET A 19 1.722 12.822 -1.788 1.00 62.30 H new ATOM 0 HB3 MET A 19 1.861 14.545 -1.502 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.349 14.026 0.628 1.00 22.14 H new ATOM 0 HG3 MET A 19 0.640 13.692 0.826 1.00 22.14 H new ATOM 0 HE1 MET A 19 0.747 9.659 0.218 1.00 52.42 H new ATOM 0 HE2 MET A 19 -0.261 11.105 -0.024 1.00 52.42 H new ATOM 0 HE3 MET A 19 1.007 10.697 -1.204 1.00 52.42 H new ATOM 430 N LYS A 20 -0.785 16.073 -2.418 1.00 1.35 N ATOM 431 CA LYS A 20 -1.500 17.352 -2.442 1.00 40.15 C ATOM 432 C LYS A 20 -3.028 17.148 -2.418 1.00 62.15 C ATOM 433 O LYS A 20 -3.713 17.901 -1.728 1.00 53.14 O ATOM 434 CB LYS A 20 -1.052 18.169 -3.678 1.00 35.11 C ATOM 435 CG LYS A 20 -1.692 19.570 -3.808 1.00 52.34 C ATOM 436 CD LYS A 20 -1.444 20.250 -5.164 1.00 1.33 C ATOM 437 CE LYS A 20 0.035 20.535 -5.469 1.00 34.32 C ATOM 438 NZ LYS A 20 0.182 21.273 -6.735 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.348 15.843 -3.311 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.249 17.913 -1.542 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.031 18.284 -3.645 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -1.284 17.596 -4.576 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.767 19.483 -3.649 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -1.303 20.210 -3.016 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -1.850 19.618 -5.954 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -1.996 21.189 -5.192 1.00 1.33 H new ATOM 0 HE2 LYS A 20 0.473 21.112 -4.655 1.00 34.32 H new ATOM 0 HE3 LYS A 20 0.585 19.596 -5.526 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 1.190 21.452 -6.917 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -0.216 20.710 -7.513 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -0.325 22.179 -6.670 1.00 60.21 H new ATOM 452 N ALA A 21 -3.530 16.141 -3.160 1.00 12.13 N ATOM 453 CA ALA A 21 -4.956 15.823 -3.285 1.00 12.14 C ATOM 454 C ALA A 21 -5.618 15.294 -1.997 1.00 25.12 C ATOM 455 O ALA A 21 -6.835 15.430 -1.873 1.00 2.15 O ATOM 456 CB ALA A 21 -5.169 14.846 -4.453 1.00 42.34 C ATOM 0 H ALA A 21 -2.935 15.513 -3.701 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.459 16.769 -3.485 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.230 14.612 -4.543 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.819 15.303 -5.378 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.610 13.929 -4.267 1.00 42.34 H new ATOM 462 N ILE A 22 -4.825 14.743 -1.060 1.00 75.12 N ATOM 463 CA ILE A 22 -5.279 14.372 0.289 1.00 35.51 C ATOM 464 C ILE A 22 -5.067 15.497 1.331 1.00 73.45 C ATOM 465 O ILE A 22 -5.624 15.396 2.423 1.00 23.31 O ATOM 466 CB ILE A 22 -4.584 13.082 0.808 1.00 70.33 C ATOM 467 CG1 ILE A 22 -3.052 13.206 0.933 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.984 11.860 -0.044 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.396 12.062 1.709 1.00 1.15 C ATOM 0 H ILE A 22 -3.838 14.541 -1.223 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.349 14.193 0.181 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.947 12.933 1.825 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.619 13.249 -0.066 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.813 14.149 1.425 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -4.485 10.970 0.339 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -6.064 11.720 0.005 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.687 12.025 -1.080 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.319 12.223 1.753 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.799 12.031 2.721 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.602 11.117 1.207 1.00 1.15 H new ATOM 481 N GLY A 23 -4.308 16.548 0.978 1.00 70.33 N ATOM 482 CA GLY A 23 -4.178 17.764 1.780 1.00 22.51 C ATOM 483 C GLY A 23 -3.046 17.709 2.818 1.00 33.33 C ATOM 484 O GLY A 23 -3.104 18.474 3.782 1.00 32.51 O ATOM 0 H GLY A 23 -3.763 16.572 0.116 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.006 18.610 1.114 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.121 17.950 2.295 1.00 22.51 H new ATOM 488 N LEU A 24 -2.022 16.851 2.642 1.00 51.21 N ATOM 489 CA LEU A 24 -0.797 16.855 3.462 1.00 40.21 C ATOM 490 C LEU A 24 0.021 18.148 3.210 1.00 64.14 C ATOM 491 O LEU A 24 0.021 18.634 2.075 1.00 12.25 O ATOM 492 CB LEU A 24 0.052 15.597 3.130 1.00 21.34 C ATOM 493 CG LEU A 24 0.047 14.501 4.223 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.355 13.937 4.513 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.068 13.387 3.913 1.00 73.21 C ATOM 0 H LEU A 24 -2.023 16.130 1.920 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.072 16.831 4.517 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.315 15.164 2.200 1.00 21.34 H new ATOM 0 HB3 LEU A 24 1.082 15.908 2.952 1.00 21.34 H new ATOM 0 HG LEU A 24 0.363 14.989 5.145 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -1.287 13.174 5.288 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -2.008 14.741 4.852 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.765 13.496 3.604 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.037 12.635 4.702 1.00 73.21 H new ATOM 0 HD22 LEU A 24 0.821 12.922 2.958 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.069 13.815 3.860 1.00 73.21 H new ATOM 507 N PRO A 25 0.707 18.685 4.251 1.00 71.41 N ATOM 508 CA PRO A 25 1.523 19.910 4.126 1.00 32.11 C ATOM 509 C PRO A 25 2.701 19.733 3.154 1.00 31.01 C ATOM 510 O PRO A 25 3.324 18.672 3.150 1.00 43.43 O ATOM 511 CB PRO A 25 1.987 20.193 5.565 1.00 31.20 C ATOM 512 CG PRO A 25 1.976 18.840 6.254 1.00 71.02 C ATOM 513 CD PRO A 25 0.790 18.136 5.607 1.00 65.43 C ATOM 0 HA PRO A 25 0.960 20.741 3.702 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.983 20.635 5.579 1.00 31.20 H new ATOM 0 HB3 PRO A 25 1.320 20.896 6.064 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.906 18.296 6.091 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.849 18.937 7.332 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.937 17.056 5.586 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.129 18.321 6.163 1.00 65.43 H new ATOM 521 N GLU A 26 2.943 20.759 2.324 1.00 4.45 N ATOM 522 CA GLU A 26 3.872 20.728 1.191 1.00 4.32 C ATOM 523 C GLU A 26 5.343 20.419 1.546 1.00 42.12 C ATOM 524 O GLU A 26 6.034 19.840 0.711 1.00 64.11 O ATOM 525 CB GLU A 26 3.686 22.015 0.360 1.00 30.35 C ATOM 526 CG GLU A 26 4.480 22.059 -0.962 1.00 51.21 C ATOM 527 CD GLU A 26 4.138 23.304 -1.777 1.00 74.13 C ATOM 528 OE1 GLU A 26 4.943 24.258 -1.722 1.00 53.40 O ATOM 529 OE2 GLU A 26 3.074 23.281 -2.435 1.00 73.13 O1- ATOM 0 H GLU A 26 2.480 21.662 2.429 1.00 4.45 H new ATOM 0 HA GLU A 26 3.611 19.865 0.579 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.626 22.133 0.134 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.979 22.869 0.971 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.548 22.045 -0.747 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.262 21.167 -1.549 1.00 51.21 H new ATOM 536 N GLU A 27 5.785 20.728 2.778 1.00 23.43 N ATOM 537 CA GLU A 27 7.085 20.292 3.302 1.00 42.32 C ATOM 538 C GLU A 27 7.185 18.761 3.459 1.00 60.41 C ATOM 539 O GLU A 27 8.202 18.185 3.074 1.00 20.41 O ATOM 540 CB GLU A 27 7.426 21.070 4.593 1.00 44.32 C ATOM 541 CG GLU A 27 8.678 20.548 5.334 1.00 65.14 C ATOM 542 CD GLU A 27 9.140 21.398 6.518 1.00 54.33 C ATOM 543 OE1 GLU A 27 8.827 22.608 6.536 1.00 1.32 O ATOM 544 OE2 GLU A 27 9.830 20.814 7.380 1.00 2.33 O1- ATOM 0 H GLU A 27 5.246 21.289 3.438 1.00 23.43 H new ATOM 0 HA GLU A 27 7.849 20.537 2.564 1.00 42.32 H new ATOM 0 HB2 GLU A 27 7.577 22.120 4.342 1.00 44.32 H new ATOM 0 HB3 GLU A 27 6.572 21.023 5.268 1.00 44.32 H new ATOM 0 HG2 GLU A 27 8.474 19.538 5.691 1.00 65.14 H new ATOM 0 HG3 GLU A 27 9.498 20.474 4.620 1.00 65.14 H new ATOM 551 N LEU A 28 6.118 18.131 3.982 1.00 0.12 N ATOM 552 CA LEU A 28 5.983 16.677 4.108 1.00 12.23 C ATOM 553 C LEU A 28 5.774 15.973 2.752 1.00 43.24 C ATOM 554 O LEU A 28 6.043 14.778 2.669 1.00 61.10 O ATOM 555 CB LEU A 28 4.856 16.367 5.124 1.00 51.32 C ATOM 556 CG LEU A 28 4.738 14.902 5.609 1.00 2.11 C ATOM 557 CD1 LEU A 28 6.030 14.369 6.266 1.00 52.22 C ATOM 558 CD2 LEU A 28 3.530 14.743 6.551 1.00 72.24 C ATOM 0 H LEU A 28 5.306 18.637 4.337 1.00 0.12 H new ATOM 0 HA LEU A 28 6.921 16.269 4.484 1.00 12.23 H new ATOM 0 HB2 LEU A 28 5.001 17.003 5.997 1.00 51.32 H new ATOM 0 HB3 LEU A 28 3.905 16.654 4.675 1.00 51.32 H new ATOM 0 HG LEU A 28 4.580 14.290 4.721 1.00 2.11 H new ATOM 0 HD11 LEU A 28 5.878 13.337 6.583 1.00 52.22 H new ATOM 0 HD12 LEU A 28 6.848 14.411 5.547 1.00 52.22 H new ATOM 0 HD13 LEU A 28 6.277 14.982 7.133 1.00 52.22 H new ATOM 0 HD21 LEU A 28 3.461 13.707 6.883 1.00 72.24 H new ATOM 0 HD22 LEU A 28 3.655 15.394 7.416 1.00 72.24 H new ATOM 0 HD23 LEU A 28 2.617 15.015 6.021 1.00 72.24 H new ATOM 570 N ILE A 29 5.360 16.715 1.706 1.00 60.55 N ATOM 571 CA ILE A 29 5.349 16.231 0.325 1.00 71.25 C ATOM 572 C ILE A 29 6.783 16.223 -0.254 1.00 13.24 C ATOM 573 O ILE A 29 7.233 15.186 -0.736 1.00 22.23 O ATOM 574 CB ILE A 29 4.423 17.063 -0.621 1.00 2.25 C ATOM 575 CG1 ILE A 29 2.965 17.094 -0.105 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.464 16.561 -2.082 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.012 17.968 -0.935 1.00 11.22 C ATOM 0 H ILE A 29 5.023 17.673 1.804 1.00 60.55 H new ATOM 0 HA ILE A 29 4.945 15.219 0.367 1.00 71.25 H new ATOM 0 HB ILE A 29 4.816 18.080 -0.613 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.578 16.075 -0.086 1.00 22.34 H new ATOM 0 HG13 ILE A 29 2.965 17.455 0.924 1.00 22.34 H new ATOM 0 HG21 ILE A 29 3.803 17.173 -2.696 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.483 16.632 -2.463 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.135 15.523 -2.119 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.013 17.930 -0.501 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.369 18.998 -0.934 1.00 11.22 H new ATOM 0 HD13 ILE A 29 1.977 17.597 -1.959 1.00 11.22 H new ATOM 589 N GLN A 30 7.476 17.374 -0.186 1.00 32.25 N ATOM 590 CA GLN A 30 8.805 17.568 -0.774 1.00 61.21 C ATOM 591 C GLN A 30 9.941 16.779 -0.096 1.00 51.51 C ATOM 592 O GLN A 30 10.916 16.461 -0.776 1.00 1.33 O ATOM 593 CB GLN A 30 9.133 19.077 -0.855 1.00 10.35 C ATOM 594 CG GLN A 30 8.252 19.898 -1.824 1.00 51.13 C ATOM 595 CD GLN A 30 8.231 19.354 -3.253 1.00 55.11 C ATOM 596 OE1 GLN A 30 9.269 19.276 -3.906 1.00 12.32 O ATOM 597 NE2 GLN A 30 7.049 18.977 -3.742 1.00 72.51 N ATOM 0 H GLN A 30 7.120 18.205 0.287 1.00 32.25 H new ATOM 0 HA GLN A 30 8.750 17.146 -1.778 1.00 61.21 H new ATOM 0 HB2 GLN A 30 9.041 19.505 0.143 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.175 19.189 -1.155 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.232 19.923 -1.440 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.611 20.927 -1.843 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.210 19.058 -3.167 1.00 72.51 H new ATOM 0 HE22 GLN A 30 6.984 18.608 -4.691 1.00 72.51 H new ATOM 606 N LYS A 31 9.787 16.450 1.197 1.00 43.00 N ATOM 607 CA LYS A 31 10.717 15.592 1.934 1.00 3.12 C ATOM 608 C LYS A 31 10.223 14.138 2.014 1.00 74.44 C ATOM 609 O LYS A 31 11.061 13.246 2.116 1.00 12.13 O ATOM 610 CB LYS A 31 10.981 16.175 3.339 1.00 33.32 C ATOM 611 CG LYS A 31 11.629 17.573 3.297 1.00 45.12 C ATOM 612 CD LYS A 31 12.264 18.036 4.619 1.00 12.15 C ATOM 613 CE LYS A 31 11.331 17.941 5.836 1.00 65.13 C ATOM 614 NZ LYS A 31 11.861 18.696 6.983 1.00 3.44 N1+ ATOM 0 H LYS A 31 9.004 16.778 1.762 1.00 43.00 H new ATOM 0 HA LYS A 31 11.658 15.570 1.384 1.00 3.12 H new ATOM 0 HB2 LYS A 31 10.040 16.233 3.885 1.00 33.32 H new ATOM 0 HB3 LYS A 31 11.630 15.496 3.892 1.00 33.32 H new ATOM 0 HG2 LYS A 31 12.395 17.578 2.522 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.872 18.299 3.001 1.00 45.12 H new ATOM 0 HD2 LYS A 31 13.154 17.437 4.811 1.00 12.15 H new ATOM 0 HD3 LYS A 31 12.593 19.069 4.508 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.346 18.324 5.571 1.00 65.13 H new ATOM 0 HE3 LYS A 31 11.202 16.895 6.116 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 11.932 18.068 7.809 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 12.804 19.067 6.749 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 11.223 19.487 7.203 1.00 3.44 H new ATOM 628 N GLY A 32 8.900 13.898 1.935 1.00 50.40 N ATOM 629 CA GLY A 32 8.315 12.554 1.991 1.00 15.11 C ATOM 630 C GLY A 32 8.528 11.768 0.689 1.00 24.21 C ATOM 631 O GLY A 32 8.574 10.539 0.736 1.00 34.34 O ATOM 0 H GLY A 32 8.207 14.639 1.830 1.00 50.40 H new ATOM 0 HA2 GLY A 32 8.757 12.003 2.821 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.247 12.634 2.193 1.00 15.11 H new ATOM 635 N LYS A 33 8.695 12.461 -0.453 1.00 12.04 N ATOM 636 CA LYS A 33 9.080 11.858 -1.733 1.00 4.24 C ATOM 637 C LYS A 33 10.556 11.410 -1.745 1.00 31.01 C ATOM 638 O LYS A 33 10.885 10.465 -2.462 1.00 75.03 O ATOM 639 CB LYS A 33 8.769 12.838 -2.887 1.00 50.23 C ATOM 640 CG LYS A 33 9.698 14.060 -3.007 1.00 63.12 C ATOM 641 CD LYS A 33 9.252 15.025 -4.116 1.00 33.54 C ATOM 642 CE LYS A 33 10.201 16.209 -4.343 1.00 3.24 C ATOM 643 NZ LYS A 33 11.536 15.776 -4.787 1.00 40.25 N1+ ATOM 0 H LYS A 33 8.563 13.471 -0.508 1.00 12.04 H new ATOM 0 HA LYS A 33 8.489 10.953 -1.875 1.00 4.24 H new ATOM 0 HB2 LYS A 33 8.806 12.285 -3.826 1.00 50.23 H new ATOM 0 HB3 LYS A 33 7.746 13.195 -2.768 1.00 50.23 H new ATOM 0 HG2 LYS A 33 9.722 14.590 -2.055 1.00 63.12 H new ATOM 0 HG3 LYS A 33 10.714 13.722 -3.209 1.00 63.12 H new ATOM 0 HD2 LYS A 33 9.155 14.468 -5.048 1.00 33.54 H new ATOM 0 HD3 LYS A 33 8.262 15.410 -3.870 1.00 33.54 H new ATOM 0 HE2 LYS A 33 9.772 16.878 -5.088 1.00 3.24 H new ATOM 0 HE3 LYS A 33 10.295 16.779 -3.419 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 12.104 16.609 -5.041 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 12.006 15.257 -4.018 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 11.442 15.155 -5.616 1.00 40.25 H new ATOM 657 N ASP A 34 11.402 12.111 -0.967 1.00 62.15 N ATOM 658 CA ASP A 34 12.841 11.888 -0.860 1.00 21.33 C ATOM 659 C ASP A 34 13.154 10.692 0.059 1.00 71.54 C ATOM 660 O ASP A 34 13.987 9.862 -0.308 1.00 72.31 O ATOM 661 CB ASP A 34 13.556 13.169 -0.371 1.00 41.55 C ATOM 662 CG ASP A 34 15.083 13.094 -0.444 1.00 64.03 C ATOM 663 OD1 ASP A 34 15.709 13.103 0.636 1.00 3.04 O ATOM 664 OD2 ASP A 34 15.593 13.066 -1.586 1.00 22.15 O1- ATOM 0 H ASP A 34 11.081 12.877 -0.375 1.00 62.15 H new ATOM 0 HA ASP A 34 13.220 11.646 -1.853 1.00 21.33 H new ATOM 0 HB2 ASP A 34 13.215 14.014 -0.969 1.00 41.55 H new ATOM 0 HB3 ASP A 34 13.261 13.367 0.659 1.00 41.55 H new ATOM 669 N ILE A 35 12.480 10.627 1.222 1.00 31.14 N ATOM 670 CA ILE A 35 12.654 9.575 2.225 1.00 55.24 C ATOM 671 C ILE A 35 12.181 8.211 1.690 1.00 62.22 C ATOM 672 O ILE A 35 10.987 8.025 1.454 1.00 12.45 O ATOM 673 CB ILE A 35 11.903 9.899 3.557 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.471 11.157 4.261 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.815 8.723 4.560 1.00 34.10 C ATOM 676 CD1 ILE A 35 13.765 10.936 5.057 1.00 60.03 C ATOM 0 H ILE A 35 11.785 11.323 1.491 1.00 31.14 H new ATOM 0 HA ILE A 35 13.722 9.528 2.438 1.00 55.24 H new ATOM 0 HB ILE A 35 10.882 10.099 3.234 1.00 1.50 H new ATOM 0 HG12 ILE A 35 12.654 11.923 3.508 1.00 2.13 H new ATOM 0 HG13 ILE A 35 11.711 11.549 4.937 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.277 9.045 5.452 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.286 7.890 4.098 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.820 8.406 4.838 1.00 34.10 H new ATOM 0 HD11 ILE A 35 14.079 11.876 5.510 1.00 60.03 H new ATOM 0 HD12 ILE A 35 13.589 10.197 5.839 1.00 60.03 H new ATOM 0 HD13 ILE A 35 14.547 10.577 4.388 1.00 60.03 H new ATOM 688 N LYS A 36 13.141 7.282 1.539 1.00 74.41 N ATOM 689 CA LYS A 36 12.868 5.871 1.285 1.00 33.25 C ATOM 690 C LYS A 36 12.376 5.196 2.571 1.00 45.41 C ATOM 691 O LYS A 36 13.031 5.301 3.610 1.00 40.12 O ATOM 692 CB LYS A 36 14.114 5.165 0.722 1.00 5.55 C ATOM 693 CG LYS A 36 14.370 5.500 -0.755 1.00 63.32 C ATOM 694 CD LYS A 36 15.557 4.716 -1.339 1.00 41.44 C ATOM 695 CE LYS A 36 15.723 4.898 -2.856 1.00 21.10 C ATOM 696 NZ LYS A 36 16.007 6.297 -3.216 1.00 52.24 N1+ ATOM 0 H LYS A 36 14.136 7.500 1.592 1.00 74.41 H new ATOM 0 HA LYS A 36 12.083 5.792 0.533 1.00 33.25 H new ATOM 0 HB2 LYS A 36 14.985 5.451 1.311 1.00 5.55 H new ATOM 0 HB3 LYS A 36 13.995 4.087 0.830 1.00 5.55 H new ATOM 0 HG2 LYS A 36 13.473 5.281 -1.335 1.00 63.32 H new ATOM 0 HG3 LYS A 36 14.560 6.569 -0.854 1.00 63.32 H new ATOM 0 HD2 LYS A 36 16.473 5.033 -0.840 1.00 41.44 H new ATOM 0 HD3 LYS A 36 15.426 3.656 -1.120 1.00 41.44 H new ATOM 0 HE2 LYS A 36 16.533 4.261 -3.211 1.00 21.10 H new ATOM 0 HE3 LYS A 36 14.815 4.571 -3.362 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 16.112 6.376 -4.248 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 15.223 6.903 -2.900 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 16.888 6.602 -2.754 1.00 52.24 H new ATOM 710 N GLY A 37 11.222 4.533 2.454 1.00 23.34 N ATOM 711 CA GLY A 37 10.560 3.829 3.541 1.00 45.33 C ATOM 712 C GLY A 37 10.634 2.318 3.315 1.00 41.21 C ATOM 713 O GLY A 37 11.257 1.835 2.369 1.00 4.23 O ATOM 0 H GLY A 37 10.713 4.473 1.572 1.00 23.34 H new ATOM 0 HA2 GLY A 37 11.031 4.085 4.490 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.518 4.144 3.607 1.00 45.33 H new ATOM 717 N VAL A 38 9.960 1.582 4.209 1.00 63.12 N ATOM 718 CA VAL A 38 9.742 0.142 4.112 1.00 63.14 C ATOM 719 C VAL A 38 8.280 -0.137 4.489 1.00 60.44 C ATOM 720 O VAL A 38 7.766 0.455 5.438 1.00 44.23 O ATOM 721 CB VAL A 38 10.664 -0.678 5.069 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.525 -2.208 4.905 1.00 54.02 C ATOM 723 CG2 VAL A 38 12.152 -0.310 4.913 1.00 31.32 C ATOM 0 H VAL A 38 9.540 1.990 5.044 1.00 63.12 H new ATOM 0 HA VAL A 38 9.976 -0.166 3.093 1.00 63.14 H new ATOM 0 HB VAL A 38 10.317 -0.403 6.065 1.00 70.34 H new ATOM 0 HG11 VAL A 38 11.195 -2.711 5.602 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.497 -2.504 5.113 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.785 -2.490 3.885 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.749 -0.909 5.601 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.470 -0.508 3.889 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.291 0.747 5.138 1.00 31.32 H new ATOM 733 N SER A 39 7.649 -1.047 3.735 1.00 2.42 N ATOM 734 CA SER A 39 6.322 -1.577 4.011 1.00 44.24 C ATOM 735 C SER A 39 6.461 -3.059 4.362 1.00 54.13 C ATOM 736 O SER A 39 7.157 -3.780 3.650 1.00 2.40 O ATOM 737 CB SER A 39 5.440 -1.414 2.759 1.00 2.01 C ATOM 738 OG SER A 39 5.153 -0.050 2.537 1.00 13.42 O ATOM 0 H SER A 39 8.067 -1.442 2.892 1.00 2.42 H new ATOM 0 HA SER A 39 5.861 -1.041 4.841 1.00 44.24 H new ATOM 0 HB2 SER A 39 5.949 -1.832 1.890 1.00 2.01 H new ATOM 0 HB3 SER A 39 4.512 -1.972 2.884 1.00 2.01 H new ATOM 0 HG SER A 39 4.593 0.041 1.738 1.00 13.42 H new ATOM 744 N GLU A 40 5.773 -3.493 5.425 1.00 10.33 N ATOM 745 CA GLU A 40 5.685 -4.897 5.811 1.00 32.53 C ATOM 746 C GLU A 40 4.252 -5.373 5.590 1.00 52.00 C ATOM 747 O GLU A 40 3.306 -4.615 5.805 1.00 5.23 O ATOM 748 CB GLU A 40 6.117 -5.132 7.276 1.00 74.12 C ATOM 749 CG GLU A 40 7.521 -4.607 7.632 1.00 23.34 C ATOM 750 CD GLU A 40 7.573 -3.123 7.991 1.00 35.54 C ATOM 751 OE1 GLU A 40 8.307 -2.390 7.296 1.00 3.21 O ATOM 752 OE2 GLU A 40 6.884 -2.748 8.962 1.00 73.21 O1- ATOM 0 H GLU A 40 5.258 -2.868 6.045 1.00 10.33 H new ATOM 0 HA GLU A 40 6.374 -5.471 5.191 1.00 32.53 H new ATOM 0 HB2 GLU A 40 5.390 -4.657 7.934 1.00 74.12 H new ATOM 0 HB3 GLU A 40 6.082 -6.202 7.482 1.00 74.12 H new ATOM 0 HG2 GLU A 40 7.908 -5.184 8.472 1.00 23.34 H new ATOM 0 HG3 GLU A 40 8.187 -4.787 6.788 1.00 23.34 H new ATOM 759 N ILE A 41 4.127 -6.635 5.172 1.00 61.23 N ATOM 760 CA ILE A 41 2.848 -7.297 4.958 1.00 42.43 C ATOM 761 C ILE A 41 2.883 -8.604 5.764 1.00 63.52 C ATOM 762 O ILE A 41 3.947 -9.219 5.865 1.00 75.40 O ATOM 763 CB ILE A 41 2.604 -7.635 3.458 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.899 -6.442 2.514 1.00 52.20 C ATOM 765 CG2 ILE A 41 1.166 -8.153 3.240 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.904 -6.800 1.018 1.00 12.11 C ATOM 0 H ILE A 41 4.929 -7.232 4.971 1.00 61.23 H new ATOM 0 HA ILE A 41 2.043 -6.634 5.274 1.00 42.43 H new ATOM 0 HB ILE A 41 3.311 -8.423 3.200 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.154 -5.665 2.687 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.868 -6.018 2.777 1.00 52.20 H new ATOM 0 HG21 ILE A 41 1.018 -8.383 2.185 1.00 14.43 H new ATOM 0 HG22 ILE A 41 1.010 -9.054 3.833 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.453 -7.388 3.548 1.00 14.43 H new ATOM 0 HD11 ILE A 41 3.119 -5.907 0.431 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.669 -7.553 0.827 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.928 -7.194 0.735 1.00 12.11 H new ATOM 778 N VAL A 42 1.738 -8.995 6.344 1.00 61.12 N ATOM 779 CA VAL A 42 1.622 -10.222 7.127 1.00 35.52 C ATOM 780 C VAL A 42 0.260 -10.869 6.814 1.00 4.05 C ATOM 781 O VAL A 42 -0.750 -10.511 7.423 1.00 65.04 O ATOM 782 CB VAL A 42 1.749 -9.989 8.667 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.851 -11.319 9.438 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.935 -9.089 9.061 1.00 72.01 C ATOM 0 H VAL A 42 0.869 -8.465 6.280 1.00 61.12 H new ATOM 0 HA VAL A 42 2.450 -10.873 6.846 1.00 35.52 H new ATOM 0 HB VAL A 42 0.832 -9.469 8.945 1.00 31.23 H new ATOM 0 HG11 VAL A 42 1.938 -11.115 10.505 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.958 -11.916 9.254 1.00 33.13 H new ATOM 0 HG13 VAL A 42 2.730 -11.869 9.101 1.00 33.13 H new ATOM 0 HG21 VAL A 42 2.959 -8.973 10.144 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.866 -9.546 8.724 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.821 -8.111 8.593 1.00 72.01 H new ATOM 794 N GLN A 43 0.265 -11.807 5.856 1.00 74.40 N ATOM 795 CA GLN A 43 -0.889 -12.633 5.504 1.00 30.22 C ATOM 796 C GLN A 43 -1.092 -13.729 6.565 1.00 35.33 C ATOM 797 O GLN A 43 -0.173 -14.511 6.814 1.00 41.12 O ATOM 798 CB GLN A 43 -0.674 -13.209 4.091 1.00 42.11 C ATOM 799 CG GLN A 43 -1.844 -14.071 3.574 1.00 34.04 C ATOM 800 CD GLN A 43 -1.692 -14.462 2.103 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.595 -14.441 1.550 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.799 -14.840 1.463 1.00 12.51 N ATOM 0 H GLN A 43 1.091 -12.014 5.295 1.00 74.40 H new ATOM 0 HA GLN A 43 -1.801 -12.037 5.489 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.510 -12.385 3.396 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.234 -13.812 4.091 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -1.918 -14.975 4.179 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.777 -13.523 3.704 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.694 -14.846 1.952 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.751 -15.123 0.484 1.00 12.51 H new ATOM 811 N ASN A 44 -2.293 -13.748 7.159 1.00 25.45 N ATOM 812 CA ASN A 44 -2.711 -14.645 8.239 1.00 44.42 C ATOM 813 C ASN A 44 -4.053 -15.274 7.840 1.00 53.04 C ATOM 814 O ASN A 44 -5.082 -14.987 8.454 1.00 61.10 O ATOM 815 CB ASN A 44 -2.800 -13.836 9.560 1.00 64.41 C ATOM 816 CG ASN A 44 -1.447 -13.384 10.119 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.483 -14.143 10.127 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.378 -12.147 10.617 1.00 74.22 N ATOM 0 H ASN A 44 -3.035 -13.105 6.883 1.00 25.45 H new ATOM 0 HA ASN A 44 -1.993 -15.449 8.401 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.422 -12.957 9.392 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.304 -14.444 10.311 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.505 -11.807 11.020 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -2.199 -11.542 10.594 1.00 74.22 H new ATOM 825 N GLY A 45 -4.022 -16.117 6.792 1.00 55.11 N ATOM 826 CA GLY A 45 -5.212 -16.746 6.219 1.00 22.41 C ATOM 827 C GLY A 45 -5.982 -15.696 5.413 1.00 72.11 C ATOM 828 O GLY A 45 -5.435 -15.109 4.479 1.00 3.32 O ATOM 0 H GLY A 45 -3.158 -16.379 6.319 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -4.927 -17.580 5.578 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.842 -17.153 7.010 1.00 22.41 H new ATOM 832 N LYS A 46 -7.255 -15.468 5.784 1.00 5.11 N ATOM 833 CA LYS A 46 -8.081 -14.379 5.255 1.00 20.40 C ATOM 834 C LYS A 46 -7.625 -12.995 5.753 1.00 71.33 C ATOM 835 O LYS A 46 -7.774 -12.026 5.010 1.00 41.04 O ATOM 836 CB LYS A 46 -9.563 -14.620 5.612 1.00 51.11 C ATOM 837 CG LYS A 46 -10.199 -15.894 5.025 1.00 71.21 C ATOM 838 CD LYS A 46 -10.265 -15.941 3.484 1.00 71.33 C ATOM 839 CE LYS A 46 -9.101 -16.677 2.797 1.00 20.20 C ATOM 840 NZ LYS A 46 -9.117 -18.120 3.094 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.741 -16.046 6.470 1.00 5.11 H new ATOM 0 HA LYS A 46 -7.962 -14.378 4.172 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.653 -14.660 6.698 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.142 -13.760 5.275 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.635 -16.758 5.376 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.210 -15.992 5.420 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -11.199 -16.420 3.191 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.300 -14.919 3.107 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -9.161 -16.527 1.719 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -8.155 -16.248 3.126 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.478 -18.616 2.440 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -8.801 -18.277 4.072 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -10.083 -18.487 2.980 1.00 73.11 H new ATOM 854 N HIS A 47 -7.074 -12.925 6.977 1.00 31.14 N ATOM 855 CA HIS A 47 -6.547 -11.697 7.568 1.00 24.30 C ATOM 856 C HIS A 47 -5.233 -11.246 6.898 1.00 32.21 C ATOM 857 O HIS A 47 -4.461 -12.074 6.418 1.00 44.23 O ATOM 858 CB HIS A 47 -6.399 -11.872 9.091 1.00 54.34 C ATOM 859 CG HIS A 47 -6.025 -10.605 9.821 1.00 0.32 C ATOM 860 ND1 HIS A 47 -6.925 -9.579 10.044 1.00 54.25 N ATOM 861 CD2 HIS A 47 -4.832 -10.176 10.362 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.268 -8.614 10.689 1.00 22.13 C ATOM 863 NE2 HIS A 47 -4.991 -8.903 10.909 1.00 23.21 N ATOM 0 H HIS A 47 -6.984 -13.737 7.588 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.260 -10.893 7.386 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.338 -12.249 9.496 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.640 -12.630 9.287 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -7.907 -9.563 9.767 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -3.912 -10.741 10.362 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -6.729 -7.689 11.001 1.00 22.13 H new ATOM 871 N PHE A 48 -5.023 -9.925 6.901 1.00 74.42 N ATOM 872 CA PHE A 48 -3.832 -9.230 6.438 1.00 52.41 C ATOM 873 C PHE A 48 -3.518 -8.079 7.396 1.00 65.41 C ATOM 874 O PHE A 48 -4.435 -7.358 7.792 1.00 43.24 O ATOM 875 CB PHE A 48 -4.073 -8.636 5.035 1.00 3.43 C ATOM 876 CG PHE A 48 -3.988 -9.597 3.868 1.00 54.13 C ATOM 877 CD1 PHE A 48 -5.111 -10.359 3.482 1.00 12.33 C ATOM 878 CD2 PHE A 48 -2.748 -9.830 3.238 1.00 73.22 C ATOM 879 CE1 PHE A 48 -5.006 -11.276 2.447 1.00 31.21 C ATOM 880 CE2 PHE A 48 -2.667 -10.743 2.198 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.788 -11.459 1.803 1.00 72.20 C ATOM 0 H PHE A 48 -5.730 -9.278 7.251 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.005 -9.939 6.401 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.061 -8.175 5.025 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.347 -7.839 4.873 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -6.053 -10.228 3.993 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -1.866 -9.300 3.564 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -5.870 -11.848 2.142 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -1.726 -10.898 1.692 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.713 -12.164 0.988 1.00 72.20 H new ATOM 891 N LYS A 49 -2.218 -7.865 7.646 1.00 64.51 N ATOM 892 CA LYS A 49 -1.683 -6.565 8.040 1.00 74.12 C ATOM 893 C LYS A 49 -0.917 -5.945 6.870 1.00 23.12 C ATOM 894 O LYS A 49 -0.310 -6.668 6.082 1.00 32.45 O ATOM 895 CB LYS A 49 -0.782 -6.667 9.291 1.00 31.13 C ATOM 896 CG LYS A 49 -1.549 -6.388 10.592 1.00 65.33 C ATOM 897 CD LYS A 49 -0.660 -6.058 11.799 1.00 22.54 C ATOM 898 CE LYS A 49 0.240 -7.213 12.254 1.00 0.54 C ATOM 899 NZ LYS A 49 1.002 -6.829 13.453 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.510 -8.596 7.579 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.522 -5.921 8.303 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -0.343 -7.664 9.338 1.00 31.13 H new ATOM 0 HB3 LYS A 49 0.042 -5.960 9.200 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -2.234 -5.557 10.424 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -2.158 -7.259 10.833 1.00 65.33 H new ATOM 0 HD2 LYS A 49 -0.034 -5.201 11.551 1.00 22.54 H new ATOM 0 HD3 LYS A 49 -1.295 -5.758 12.632 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -0.367 -8.093 12.468 1.00 0.54 H new ATOM 0 HE3 LYS A 49 0.926 -7.486 11.452 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 1.607 -7.622 13.749 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 1.595 -6.003 13.237 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 0.343 -6.591 14.222 1.00 11.34 H new ATOM 913 N PHE A 50 -0.948 -4.608 6.830 1.00 3.40 N ATOM 914 CA PHE A 50 -0.184 -3.747 5.939 1.00 12.22 C ATOM 915 C PHE A 50 0.383 -2.591 6.770 1.00 40.53 C ATOM 916 O PHE A 50 -0.293 -1.580 6.959 1.00 2.33 O ATOM 917 CB PHE A 50 -1.061 -3.259 4.761 1.00 4.42 C ATOM 918 CG PHE A 50 -0.996 -4.124 3.516 1.00 74.03 C ATOM 919 CD1 PHE A 50 -0.102 -3.794 2.474 1.00 50.23 C ATOM 920 CD2 PHE A 50 -1.717 -5.332 3.441 1.00 61.21 C ATOM 921 CE1 PHE A 50 -0.004 -4.616 1.359 1.00 41.23 C ATOM 922 CE2 PHE A 50 -1.598 -6.145 2.322 1.00 2.54 C ATOM 923 CZ PHE A 50 -0.754 -5.782 1.281 1.00 33.23 C ATOM 0 H PHE A 50 -1.545 -4.072 7.460 1.00 3.40 H new ATOM 0 HA PHE A 50 0.643 -4.295 5.488 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -2.097 -3.206 5.096 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.759 -2.245 4.498 1.00 4.42 H new ATOM 0 HD1 PHE A 50 0.505 -2.903 2.544 1.00 50.23 H new ATOM 0 HD2 PHE A 50 -2.363 -5.626 4.255 1.00 61.21 H new ATOM 0 HE1 PHE A 50 0.658 -4.347 0.549 1.00 41.23 H new ATOM 0 HE2 PHE A 50 -2.164 -7.063 2.261 1.00 2.54 H new ATOM 0 HZ PHE A 50 -0.680 -6.410 0.406 1.00 33.23 H new ATOM 933 N THR A 51 1.619 -2.774 7.257 1.00 53.41 N ATOM 934 CA THR A 51 2.414 -1.724 7.889 1.00 52.03 C ATOM 935 C THR A 51 3.150 -0.918 6.801 1.00 73.11 C ATOM 936 O THR A 51 3.595 -1.510 5.819 1.00 24.43 O ATOM 937 CB THR A 51 3.484 -2.310 8.844 1.00 20.44 C ATOM 938 OG1 THR A 51 2.886 -3.221 9.748 1.00 61.14 O ATOM 939 CG2 THR A 51 4.239 -1.260 9.680 1.00 52.31 C ATOM 0 H THR A 51 2.098 -3.674 7.219 1.00 53.41 H new ATOM 0 HA THR A 51 1.731 -1.096 8.461 1.00 52.03 H new ATOM 0 HB THR A 51 4.207 -2.794 8.188 1.00 20.44 H new ATOM 0 HG1 THR A 51 3.571 -3.586 10.346 1.00 61.14 H new ATOM 0 HG21 THR A 51 4.967 -1.759 10.319 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.754 -0.567 9.015 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.530 -0.710 10.299 1.00 52.31 H new ATOM 947 N ILE A 52 3.253 0.408 6.978 1.00 25.40 N ATOM 948 CA ILE A 52 3.974 1.298 6.067 1.00 53.13 C ATOM 949 C ILE A 52 4.717 2.331 6.927 1.00 32.23 C ATOM 950 O ILE A 52 4.069 3.131 7.601 1.00 61.24 O ATOM 951 CB ILE A 52 3.034 2.051 5.066 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.120 1.100 4.255 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.812 2.996 4.120 1.00 40.02 C ATOM 954 CD1 ILE A 52 1.012 1.816 3.468 1.00 52.10 C ATOM 0 H ILE A 52 2.831 0.894 7.769 1.00 25.40 H new ATOM 0 HA ILE A 52 4.650 0.692 5.464 1.00 53.13 H new ATOM 0 HB ILE A 52 2.386 2.663 5.693 1.00 31.34 H new ATOM 0 HG12 ILE A 52 2.734 0.529 3.559 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.662 0.384 4.937 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.113 3.493 3.447 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.343 3.744 4.709 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.529 2.418 3.537 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.416 1.081 2.927 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.372 2.365 4.159 1.00 52.10 H new ATOM 0 HD13 ILE A 52 1.461 2.512 2.759 1.00 52.10 H new ATOM 966 N THR A 53 6.056 2.299 6.885 1.00 2.25 N ATOM 967 CA THR A 53 6.928 3.237 7.594 1.00 34.41 C ATOM 968 C THR A 53 7.646 4.126 6.567 1.00 12.24 C ATOM 969 O THR A 53 8.360 3.593 5.720 1.00 50.34 O ATOM 970 CB THR A 53 8.012 2.487 8.414 1.00 3.33 C ATOM 971 OG1 THR A 53 7.381 1.648 9.360 1.00 41.31 O ATOM 972 CG2 THR A 53 8.995 3.404 9.170 1.00 74.21 C ATOM 0 H THR A 53 6.571 1.604 6.345 1.00 2.25 H new ATOM 0 HA THR A 53 6.311 3.828 8.271 1.00 34.41 H new ATOM 0 HB THR A 53 8.598 1.928 7.685 1.00 3.33 H new ATOM 0 HG1 THR A 53 8.061 1.171 9.879 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.716 2.794 9.715 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.522 4.039 8.457 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.443 4.028 9.873 1.00 74.21 H new ATOM 980 N ALA A 54 7.461 5.451 6.672 1.00 42.32 N ATOM 981 CA ALA A 54 8.102 6.451 5.812 1.00 33.40 C ATOM 982 C ALA A 54 7.868 7.850 6.392 1.00 4.42 C ATOM 983 O ALA A 54 6.739 8.160 6.771 1.00 71.34 O ATOM 984 CB ALA A 54 7.539 6.385 4.376 1.00 22.53 C ATOM 0 H ALA A 54 6.847 5.864 7.374 1.00 42.32 H new ATOM 0 HA ALA A 54 9.171 6.240 5.773 1.00 33.40 H new ATOM 0 HB1 ALA A 54 8.030 7.136 3.758 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.722 5.395 3.958 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.466 6.577 4.397 1.00 22.53 H new ATOM 990 N GLY A 55 8.921 8.684 6.404 1.00 31.11 N ATOM 991 CA GLY A 55 8.849 10.089 6.815 1.00 55.23 C ATOM 992 C GLY A 55 8.787 10.268 8.342 1.00 64.53 C ATOM 993 O GLY A 55 8.229 11.262 8.801 1.00 72.42 O ATOM 0 H GLY A 55 9.858 8.393 6.124 1.00 31.11 H new ATOM 0 HA2 GLY A 55 9.719 10.620 6.428 1.00 55.23 H new ATOM 0 HA3 GLY A 55 7.969 10.548 6.365 1.00 55.23 H new ATOM 997 N SER A 56 9.335 9.310 9.115 1.00 20.05 N ATOM 998 CA SER A 56 9.343 9.265 10.588 1.00 64.53 C ATOM 999 C SER A 56 7.934 9.143 11.206 1.00 74.02 C ATOM 1000 O SER A 56 7.641 9.763 12.228 1.00 44.30 O ATOM 1001 CB SER A 56 10.199 10.407 11.191 1.00 55.44 C ATOM 1002 OG SER A 56 11.571 10.145 10.983 1.00 64.35 O ATOM 0 H SER A 56 9.809 8.505 8.706 1.00 20.05 H new ATOM 0 HA SER A 56 9.837 8.336 10.871 1.00 64.53 H new ATOM 0 HB2 SER A 56 9.928 11.357 10.731 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.996 10.500 12.258 1.00 55.44 H new ATOM 0 HG SER A 56 12.105 10.872 11.366 1.00 64.35 H new ATOM 1008 N LYS A 57 7.096 8.309 10.573 1.00 63.33 N ATOM 1009 CA LYS A 57 5.782 7.894 11.055 1.00 55.45 C ATOM 1010 C LYS A 57 5.509 6.477 10.532 1.00 41.21 C ATOM 1011 O LYS A 57 6.008 6.113 9.464 1.00 52.43 O ATOM 1012 CB LYS A 57 4.694 8.937 10.672 1.00 2.22 C ATOM 1013 CG LYS A 57 4.420 9.146 9.166 1.00 75.24 C ATOM 1014 CD LYS A 57 3.364 8.204 8.550 1.00 51.34 C ATOM 1015 CE LYS A 57 1.917 8.704 8.700 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.593 9.741 7.704 1.00 60.33 N1+ ATOM 0 H LYS A 57 7.331 7.891 9.673 1.00 63.33 H new ATOM 0 HA LYS A 57 5.755 7.856 12.144 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.759 8.641 11.148 1.00 2.22 H new ATOM 0 HB3 LYS A 57 4.980 9.898 11.100 1.00 2.22 H new ATOM 0 HG2 LYS A 57 4.098 10.176 9.012 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.356 9.020 8.622 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.584 8.072 7.491 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.449 7.223 9.018 1.00 51.34 H new ATOM 0 HE2 LYS A 57 1.229 7.866 8.590 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.773 9.105 9.703 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.562 9.872 7.662 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 2.045 10.637 7.976 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 1.943 9.447 6.770 1.00 60.33 H new ATOM 1030 N VAL A 58 4.718 5.715 11.302 1.00 55.31 N ATOM 1031 CA VAL A 58 4.353 4.336 10.990 1.00 42.03 C ATOM 1032 C VAL A 58 2.821 4.237 10.923 1.00 54.23 C ATOM 1033 O VAL A 58 2.151 4.390 11.945 1.00 21.21 O ATOM 1034 CB VAL A 58 4.870 3.337 12.069 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.507 1.869 11.757 1.00 44.04 C ATOM 1036 CG2 VAL A 58 6.389 3.455 12.288 1.00 42.14 C ATOM 0 H VAL A 58 4.309 6.052 12.174 1.00 55.31 H new ATOM 0 HA VAL A 58 4.812 4.072 10.037 1.00 42.03 H new ATOM 0 HB VAL A 58 4.357 3.622 12.988 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.895 1.223 12.545 1.00 44.04 H new ATOM 0 HG12 VAL A 58 3.423 1.766 11.703 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.947 1.581 10.802 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.704 2.740 13.048 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.909 3.244 11.354 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.632 4.465 12.618 1.00 42.14 H new ATOM 1046 N ILE A 59 2.307 3.942 9.720 1.00 41.03 N ATOM 1047 CA ILE A 59 0.937 3.489 9.493 1.00 34.25 C ATOM 1048 C ILE A 59 0.881 1.982 9.798 1.00 14.03 C ATOM 1049 O ILE A 59 1.800 1.255 9.419 1.00 51.40 O ATOM 1050 CB ILE A 59 0.500 3.679 8.002 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.563 5.159 7.561 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -0.906 3.116 7.681 1.00 24.12 C ATOM 1053 CD1 ILE A 59 1.879 5.550 6.871 1.00 72.32 C ATOM 0 H ILE A 59 2.850 4.015 8.860 1.00 41.03 H new ATOM 0 HA ILE A 59 0.274 4.073 10.131 1.00 34.25 H new ATOM 0 HB ILE A 59 1.226 3.096 7.435 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.265 5.361 6.882 1.00 33.02 H new ATOM 0 HG13 ILE A 59 0.420 5.794 8.435 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.135 3.287 6.629 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -0.925 2.046 7.888 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.649 3.618 8.300 1.00 24.12 H new ATOM 0 HD11 ILE A 59 1.845 6.603 6.592 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.712 5.382 7.554 1.00 72.32 H new ATOM 0 HD13 ILE A 59 2.015 4.942 5.977 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.223 1.545 10.415 1.00 35.51 N ATOM 1066 CA GLN A 60 -0.647 0.149 10.418 1.00 42.05 C ATOM 1067 C GLN A 60 -2.111 0.086 9.994 1.00 42.53 C ATOM 1068 O GLN A 60 -2.919 0.909 10.430 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.434 -0.520 11.788 1.00 21.23 C ATOM 1070 CG GLN A 60 1.035 -0.882 12.066 1.00 52.05 C ATOM 1071 CD GLN A 60 1.173 -1.751 13.315 1.00 73.31 C ATOM 1072 OE1 GLN A 60 0.989 -2.965 13.260 1.00 23.35 O ATOM 1073 NE2 GLN A 60 1.499 -1.128 14.449 1.00 13.55 N ATOM 0 H GLN A 60 -0.851 2.161 10.931 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.032 -0.408 9.711 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.791 0.149 12.571 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -1.040 -1.424 11.841 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.449 -1.410 11.207 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.618 0.031 12.191 1.00 52.05 H new ATOM 0 HE21 GLN A 60 1.643 -0.118 14.453 1.00 13.55 H new ATOM 0 HE22 GLN A 60 1.604 -1.661 15.312 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.408 -0.913 9.157 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.736 -1.225 8.653 1.00 41.34 C ATOM 1084 C ASN A 61 -3.965 -2.720 8.828 1.00 52.20 C ATOM 1085 O ASN A 61 -3.069 -3.512 8.544 1.00 25.44 O ATOM 1086 CB ASN A 61 -3.807 -0.817 7.163 1.00 25.31 C ATOM 1087 CG ASN A 61 -4.069 0.677 6.978 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -4.925 1.236 7.654 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -3.366 1.325 6.049 1.00 11.11 N ATOM 0 H ASN A 61 -1.695 -1.549 8.801 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.510 -0.681 9.195 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -2.871 -1.082 6.672 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.597 -1.385 6.671 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -3.533 2.317 5.883 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -2.661 0.828 5.504 1.00 11.11 H new ATOM 1096 N GLU A 62 -5.185 -3.049 9.263 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.693 -4.408 9.364 1.00 21.24 C ATOM 1098 C GLU A 62 -6.962 -4.533 8.525 1.00 44.03 C ATOM 1099 O GLU A 62 -7.809 -3.639 8.544 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.972 -4.774 10.838 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.710 -5.308 11.539 1.00 34.42 C ATOM 1102 CD GLU A 62 -4.924 -5.844 12.955 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -6.094 -5.934 13.387 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -3.893 -6.179 13.579 1.00 11.32 O1- ATOM 0 H GLU A 62 -5.864 -2.349 9.563 1.00 40.14 H new ATOM 0 HA GLU A 62 -4.944 -5.103 8.985 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.339 -3.895 11.368 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.760 -5.526 10.884 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -4.285 -6.104 10.928 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -3.971 -4.508 11.579 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.073 -5.679 7.845 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.268 -6.090 7.127 1.00 33.44 C ATOM 1113 C PHE A 63 -8.314 -7.611 6.985 1.00 12.32 C ATOM 1114 O PHE A 63 -7.296 -8.277 7.148 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.404 -5.350 5.777 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.327 -5.622 4.740 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -7.390 -6.767 3.915 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -6.191 -4.789 4.672 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -6.381 -7.013 2.994 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -5.200 -5.047 3.737 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.299 -6.149 2.895 1.00 52.40 C ATOM 0 H PHE A 63 -6.313 -6.357 7.782 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.141 -5.800 7.712 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.369 -5.610 5.342 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.422 -4.279 5.976 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -8.222 -7.450 4.001 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -6.093 -3.952 5.347 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -6.438 -7.880 2.352 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -4.347 -4.389 3.662 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.530 -6.334 2.160 1.00 52.40 H new ATOM 1131 N THR A 64 -9.509 -8.115 6.662 1.00 34.14 N ATOM 1132 CA THR A 64 -9.767 -9.522 6.400 1.00 3.13 C ATOM 1133 C THR A 64 -10.593 -9.600 5.115 1.00 74.33 C ATOM 1134 O THR A 64 -11.643 -8.964 5.038 1.00 14.33 O ATOM 1135 CB THR A 64 -10.536 -10.182 7.575 1.00 62.34 C ATOM 1136 OG1 THR A 64 -9.769 -10.094 8.761 1.00 32.13 O ATOM 1137 CG2 THR A 64 -10.872 -11.666 7.368 1.00 71.51 C ATOM 0 H THR A 64 -10.343 -7.534 6.575 1.00 34.14 H new ATOM 0 HA THR A 64 -8.826 -10.061 6.293 1.00 3.13 H new ATOM 0 HB THR A 64 -11.475 -9.633 7.637 1.00 62.34 H new ATOM 0 HG1 THR A 64 -9.708 -9.157 9.042 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.409 -12.042 8.239 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.496 -11.778 6.481 1.00 71.51 H new ATOM 0 HG23 THR A 64 -9.950 -12.233 7.237 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.076 -10.320 4.104 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.661 -10.343 2.764 1.00 54.10 C ATOM 1147 C VAL A 65 -11.981 -11.136 2.729 1.00 54.34 C ATOM 1148 O VAL A 65 -12.044 -12.259 3.229 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.675 -10.852 1.678 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.443 -9.936 1.602 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.264 -12.335 1.777 1.00 44.43 C ATOM 0 H VAL A 65 -9.242 -10.899 4.199 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.885 -9.304 2.520 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.239 -10.803 0.747 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -7.761 -10.306 0.836 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.758 -8.923 1.349 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -7.935 -9.928 2.567 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.575 -12.576 0.968 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -8.776 -12.514 2.735 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.150 -12.964 1.698 1.00 44.43 H new ATOM 1161 N GLY A 66 -13.019 -10.483 2.181 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.405 -10.949 2.206 1.00 2.14 C ATOM 1163 C GLY A 66 -15.184 -10.402 3.418 1.00 14.12 C ATOM 1164 O GLY A 66 -16.355 -10.753 3.566 1.00 1.40 O ATOM 0 H GLY A 66 -12.908 -9.592 1.696 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -14.905 -10.643 1.287 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.419 -12.039 2.229 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.569 -9.560 4.272 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.181 -8.945 5.456 1.00 2.33 C ATOM 1170 C GLU A 67 -14.915 -7.430 5.459 1.00 4.41 C ATOM 1171 O GLU A 67 -13.909 -6.983 4.902 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.612 -9.588 6.742 1.00 31.54 C ATOM 1173 CG GLU A 67 -14.815 -11.116 6.834 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.266 -11.740 8.121 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -13.964 -12.952 8.070 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -14.144 -11.010 9.130 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.596 -9.282 4.147 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.257 -9.114 5.426 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.545 -9.371 6.801 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.081 -9.119 7.607 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -15.880 -11.336 6.761 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.333 -11.589 5.978 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.818 -6.665 6.102 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.704 -5.212 6.235 1.00 12.25 C ATOM 1185 C GLU A 68 -14.791 -4.847 7.414 1.00 3.41 C ATOM 1186 O GLU A 68 -15.053 -5.270 8.541 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.105 -4.579 6.351 1.00 12.34 C ATOM 1188 CG GLU A 68 -17.074 -3.038 6.329 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.475 -2.437 6.269 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -18.929 -1.941 7.323 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -19.061 -2.478 5.166 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.653 -7.048 6.546 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.237 -4.802 5.339 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.728 -4.936 5.531 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.574 -4.914 7.276 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.561 -2.673 7.219 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.498 -2.700 5.468 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.733 -4.076 7.115 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.666 -3.715 8.047 1.00 24.14 C ATOM 1200 C CYS A 69 -12.284 -2.237 7.876 1.00 1.24 C ATOM 1201 O CYS A 69 -12.616 -1.615 6.868 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.436 -4.620 7.860 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.790 -6.314 8.417 1.00 73.13 S ATOM 0 H CYS A 69 -13.598 -3.677 6.186 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.037 -3.863 9.061 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.144 -4.631 6.810 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.593 -4.216 8.421 1.00 31.21 H new ATOM 0 HG CYS A 69 -13.043 -6.408 8.751 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.618 -1.694 8.906 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.479 -0.260 9.130 1.00 52.30 C ATOM 1211 C GLU A 70 -10.044 0.203 8.813 1.00 74.34 C ATOM 1212 O GLU A 70 -9.148 0.024 9.637 1.00 25.25 O ATOM 1213 CB GLU A 70 -11.902 -0.023 10.594 1.00 50.13 C ATOM 1214 CG GLU A 70 -12.167 1.442 10.957 1.00 14.35 C ATOM 1215 CD GLU A 70 -12.502 1.565 12.442 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -13.637 1.188 12.805 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -11.595 1.993 13.190 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.154 -2.258 9.618 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.109 0.334 8.468 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -12.804 -0.601 10.795 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.122 -0.410 11.250 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -11.291 2.046 10.723 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -12.991 1.830 10.358 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.861 0.780 7.611 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.574 1.264 7.101 1.00 60.35 C ATOM 1226 C LEU A 71 -8.326 2.731 7.470 1.00 15.41 C ATOM 1227 O LEU A 71 -9.235 3.553 7.350 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.544 1.127 5.560 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.500 -0.323 5.034 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -8.545 -0.350 3.499 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -7.292 -1.115 5.564 1.00 4.32 C ATOM 0 H LEU A 71 -10.627 0.924 6.954 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.791 0.659 7.559 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.425 1.620 5.149 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -7.674 1.662 5.180 1.00 65.33 H new ATOM 0 HG LEU A 71 -9.390 -0.821 5.418 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.513 -1.383 3.152 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.466 0.120 3.154 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -7.688 0.193 3.100 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.315 -2.127 5.160 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -6.370 -0.622 5.256 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.334 -1.158 6.652 1.00 4.32 H new ATOM 1243 N GLU A 72 -7.068 3.023 7.836 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.508 4.356 8.032 1.00 5.22 C ATOM 1245 C GLU A 72 -6.068 4.957 6.681 1.00 54.31 C ATOM 1246 O GLU A 72 -5.685 4.218 5.773 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.291 4.240 8.987 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.847 5.574 9.632 1.00 61.31 C ATOM 1249 CD GLU A 72 -3.430 5.557 10.215 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -2.861 6.666 10.329 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -2.927 4.454 10.527 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.381 2.289 8.011 1.00 40.11 H new ATOM 0 HA GLU A 72 -7.261 5.014 8.465 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -5.534 3.532 9.779 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.450 3.822 8.433 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -4.909 6.363 8.883 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -5.549 5.831 10.425 1.00 61.31 H new ATOM 1258 N THR A 73 -6.070 6.297 6.608 1.00 14.12 N ATOM 1259 CA THR A 73 -5.480 7.093 5.530 1.00 13.34 C ATOM 1260 C THR A 73 -4.306 7.929 6.083 1.00 65.20 C ATOM 1261 O THR A 73 -4.216 8.131 7.292 1.00 23.23 O ATOM 1262 CB THR A 73 -6.541 8.038 4.902 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.925 9.117 5.739 1.00 65.12 O ATOM 1264 CG2 THR A 73 -7.795 7.272 4.454 1.00 60.04 C ATOM 0 H THR A 73 -6.501 6.875 7.329 1.00 14.12 H new ATOM 0 HA THR A 73 -5.116 6.415 4.758 1.00 13.34 H new ATOM 0 HB THR A 73 -6.041 8.466 4.033 1.00 62.31 H new ATOM 0 HG1 THR A 73 -7.326 9.827 5.195 1.00 65.12 H new ATOM 0 HG21 THR A 73 -8.512 7.969 4.021 1.00 60.04 H new ATOM 0 HG22 THR A 73 -7.519 6.526 3.709 1.00 60.04 H new ATOM 0 HG23 THR A 73 -8.245 6.777 5.314 1.00 60.04 H new ATOM 1272 N MET A 74 -3.417 8.395 5.186 1.00 72.21 N ATOM 1273 CA MET A 74 -2.150 9.079 5.506 1.00 42.23 C ATOM 1274 C MET A 74 -2.257 10.346 6.386 1.00 45.20 C ATOM 1275 O MET A 74 -1.269 10.697 7.032 1.00 11.12 O ATOM 1276 CB MET A 74 -1.401 9.406 4.194 1.00 54.15 C ATOM 1277 CG MET A 74 -1.030 8.184 3.340 1.00 21.54 C ATOM 1278 SD MET A 74 0.200 7.092 4.100 1.00 51.13 S ATOM 1279 CE MET A 74 0.145 5.713 2.932 1.00 13.43 C ATOM 0 H MET A 74 -3.567 8.302 4.181 1.00 72.21 H new ATOM 0 HA MET A 74 -1.597 8.372 6.125 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.020 10.075 3.596 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.489 9.950 4.439 1.00 54.15 H new ATOM 0 HG2 MET A 74 -1.933 7.609 3.137 1.00 21.54 H new ATOM 0 HG3 MET A 74 -0.649 8.529 2.379 1.00 21.54 H new ATOM 0 HE1 MET A 74 0.847 4.941 3.247 1.00 13.43 H new ATOM 0 HE2 MET A 74 -0.863 5.298 2.906 1.00 13.43 H new ATOM 0 HE3 MET A 74 0.418 6.067 1.938 1.00 13.43 H new ATOM 1289 N THR A 75 -3.438 10.986 6.408 1.00 42.35 N ATOM 1290 CA THR A 75 -3.776 12.129 7.262 1.00 12.24 C ATOM 1291 C THR A 75 -4.125 11.735 8.721 1.00 50.13 C ATOM 1292 O THR A 75 -3.993 12.589 9.596 1.00 10.31 O ATOM 1293 CB THR A 75 -5.006 12.886 6.684 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.180 12.089 6.697 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.802 13.429 5.260 1.00 32.15 C ATOM 0 H THR A 75 -4.212 10.707 5.806 1.00 42.35 H new ATOM 0 HA THR A 75 -2.882 12.752 7.277 1.00 12.24 H new ATOM 0 HB THR A 75 -5.124 13.739 7.353 1.00 54.03 H new ATOM 0 HG1 THR A 75 -6.928 12.603 6.327 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.706 13.942 4.933 1.00 32.15 H new ATOM 0 HG22 THR A 75 -3.966 14.128 5.253 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.589 12.602 4.582 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.549 10.481 8.959 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.927 9.961 10.278 1.00 42.54 C ATOM 1305 C GLY A 76 -6.442 9.720 10.418 1.00 52.34 C ATOM 1306 O GLY A 76 -6.883 9.375 11.514 1.00 50.44 O ATOM 0 H GLY A 76 -4.639 9.786 8.218 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.398 9.026 10.459 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.604 10.664 11.046 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.237 9.874 9.340 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.668 9.526 9.295 1.00 22.12 C ATOM 1312 C GLU A 77 -8.827 7.996 9.152 1.00 21.20 C ATOM 1313 O GLU A 77 -7.903 7.348 8.663 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.309 10.279 8.097 1.00 15.43 C ATOM 1315 CG GLU A 77 -10.635 11.008 8.401 1.00 15.44 C ATOM 1316 CD GLU A 77 -11.794 10.080 8.758 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -11.914 9.757 9.959 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -12.532 9.705 7.820 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.892 10.252 8.458 1.00 21.31 H new ATOM 0 HA GLU A 77 -9.171 9.824 10.215 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.591 11.009 7.724 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -9.484 9.564 7.293 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -10.474 11.703 9.225 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -10.916 11.604 7.533 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.992 7.453 9.544 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.342 6.038 9.368 1.00 3.40 C ATOM 1327 C LYS A 78 -11.750 5.882 8.776 1.00 71.00 C ATOM 1328 O LYS A 78 -12.650 6.638 9.143 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.259 5.279 10.708 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.850 5.178 11.321 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.728 4.017 12.321 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.503 2.661 11.631 1.00 24.13 C ATOM 1333 NZ LYS A 78 -8.812 1.536 12.532 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.727 7.995 9.999 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.620 5.611 8.672 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.915 5.770 11.426 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.646 4.271 10.560 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -8.119 5.046 10.524 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.608 6.114 11.824 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -7.901 4.215 13.002 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.634 3.967 12.925 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.128 2.597 10.740 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.467 2.588 11.299 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -8.665 0.638 12.029 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -8.186 1.574 13.362 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -9.803 1.601 12.842 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.927 4.862 7.916 1.00 1.35 N ATOM 1348 CA VAL A 79 -13.212 4.492 7.314 1.00 52.00 C ATOM 1349 C VAL A 79 -13.314 2.971 7.093 1.00 21.12 C ATOM 1350 O VAL A 79 -12.307 2.308 6.843 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.459 5.187 5.942 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.684 6.700 6.082 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.396 4.883 4.866 1.00 11.12 C ATOM 0 H VAL A 79 -11.159 4.261 7.616 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.967 4.827 8.025 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.383 4.736 5.580 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.851 7.136 5.097 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.555 6.882 6.712 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.806 7.158 6.537 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.650 5.409 3.945 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.419 5.215 5.216 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.368 3.810 4.675 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.556 2.465 7.154 1.00 53.10 N ATOM 1364 CA LYS A 80 -14.922 1.076 6.873 1.00 4.31 C ATOM 1365 C LYS A 80 -14.972 0.793 5.361 1.00 51.25 C ATOM 1366 O LYS A 80 -15.365 1.666 4.587 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.282 0.776 7.529 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.225 0.776 9.066 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.597 0.519 9.702 1.00 15.03 C ATOM 1370 CE LYS A 80 -17.546 0.546 11.236 1.00 54.32 C ATOM 1371 NZ LYS A 80 -18.885 0.344 11.815 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.360 3.038 7.411 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.157 0.421 7.291 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -17.009 1.518 7.199 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.638 -0.195 7.185 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.523 0.012 9.401 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.841 1.735 9.413 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -18.303 1.271 9.352 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -17.972 -0.449 9.371 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -16.871 -0.231 11.594 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -17.141 1.500 11.573 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -18.822 0.367 12.853 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -19.521 1.100 11.490 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -19.259 -0.578 11.511 1.00 45.32 H new ATOM 1385 N THR A 81 -14.596 -0.439 4.986 1.00 62.20 N ATOM 1386 CA THR A 81 -14.551 -0.928 3.609 1.00 53.21 C ATOM 1387 C THR A 81 -14.296 -2.447 3.584 1.00 74.41 C ATOM 1388 O THR A 81 -13.508 -2.949 4.385 1.00 1.11 O ATOM 1389 CB THR A 81 -13.457 -0.205 2.759 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.357 -0.757 1.456 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.039 -0.248 3.358 1.00 11.41 C ATOM 0 H THR A 81 -14.305 -1.145 5.663 1.00 62.20 H new ATOM 0 HA THR A 81 -15.522 -0.708 3.165 1.00 53.21 H new ATOM 0 HB THR A 81 -13.800 0.830 2.742 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.319 -0.033 0.796 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.349 0.279 2.699 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.043 0.231 4.337 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.720 -1.285 3.463 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.946 -3.145 2.639 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.664 -4.547 2.334 1.00 2.52 C ATOM 1401 C VAL A 82 -13.485 -4.624 1.350 1.00 71.31 C ATOM 1402 O VAL A 82 -13.530 -3.991 0.293 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.890 -5.269 1.704 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.601 -6.726 1.274 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -17.098 -5.260 2.656 1.00 41.33 C ATOM 0 H VAL A 82 -15.687 -2.744 2.064 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.424 -5.046 3.273 1.00 2.52 H new ATOM 0 HB VAL A 82 -16.119 -4.699 0.804 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.502 -7.164 0.844 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.803 -6.735 0.531 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.294 -7.308 2.143 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.937 -5.772 2.185 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.835 -5.771 3.582 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.380 -4.230 2.877 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.478 -5.428 1.716 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.331 -5.738 0.863 1.00 1.45 C ATOM 1417 C VAL A 83 -11.537 -7.142 0.266 1.00 42.54 C ATOM 1418 O VAL A 83 -12.195 -7.975 0.887 1.00 75.24 O ATOM 1419 CB VAL A 83 -10.003 -5.731 1.675 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.754 -5.860 0.775 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.900 -4.478 2.569 1.00 54.42 C ATOM 0 H VAL A 83 -12.440 -5.886 2.627 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.260 -4.981 0.082 1.00 1.45 H new ATOM 0 HB VAL A 83 -10.030 -6.613 2.314 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.857 -5.850 1.394 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.801 -6.797 0.220 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.722 -5.025 0.075 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.962 -4.503 3.123 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.931 -3.584 1.947 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.735 -4.461 3.270 1.00 54.42 H new ATOM 1431 N GLN A 84 -10.987 -7.372 -0.935 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.046 -8.653 -1.638 1.00 63.42 C ATOM 1433 C GLN A 84 -9.652 -9.064 -2.119 1.00 34.52 C ATOM 1434 O GLN A 84 -8.810 -8.197 -2.346 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.014 -8.542 -2.841 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.502 -8.329 -2.484 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.149 -9.473 -1.694 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -13.593 -10.561 -1.558 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.359 -9.235 -1.185 1.00 15.21 N ATOM 0 H GLN A 84 -10.479 -6.655 -1.452 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.412 -9.417 -0.952 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.688 -7.714 -3.471 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -11.929 -9.450 -3.438 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.593 -7.410 -1.904 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.064 -8.181 -3.406 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -15.796 -8.322 -1.314 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -15.847 -9.966 -0.667 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.473 -10.382 -2.305 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.316 -10.995 -2.953 1.00 3.11 C ATOM 1450 C LEU A 85 -8.814 -11.811 -4.151 1.00 44.15 C ATOM 1451 O LEU A 85 -9.764 -12.580 -4.005 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.547 -11.873 -1.938 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.246 -12.523 -2.480 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.093 -12.448 -1.462 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.476 -13.976 -2.948 1.00 63.34 C ATOM 0 H LEU A 85 -10.159 -11.070 -1.994 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.622 -10.233 -3.309 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.295 -11.262 -1.071 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.211 -12.664 -1.589 1.00 74.15 H new ATOM 0 HG LEU A 85 -5.952 -11.939 -3.352 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.203 -12.915 -1.885 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -4.880 -11.405 -1.230 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.379 -12.971 -0.549 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.539 -14.391 -3.319 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -6.832 -14.576 -2.111 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.219 -13.988 -3.745 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.135 -11.637 -5.294 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.434 -12.303 -6.561 1.00 41.11 C ATOM 1469 C GLU A 86 -7.336 -13.327 -6.902 1.00 1.21 C ATOM 1470 O GLU A 86 -6.280 -13.347 -6.266 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.570 -11.230 -7.671 1.00 33.43 C ATOM 1472 CG GLU A 86 -9.490 -10.016 -7.370 1.00 24.04 C ATOM 1473 CD GLU A 86 -10.986 -10.306 -7.177 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -11.340 -11.431 -6.763 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -11.767 -9.366 -7.435 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.336 -11.006 -5.359 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.374 -12.850 -6.480 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.574 -10.851 -7.900 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.940 -11.720 -8.572 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -9.121 -9.526 -6.469 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -9.386 -9.301 -8.186 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.619 -14.172 -7.907 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.823 -15.345 -8.286 1.00 74.23 C ATOM 1484 C GLY A 87 -5.459 -15.050 -8.940 1.00 62.21 C ATOM 1485 O GLY A 87 -4.773 -16.004 -9.303 1.00 1.23 O ATOM 0 H GLY A 87 -8.441 -14.050 -8.499 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.654 -15.949 -7.394 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.411 -15.952 -8.975 1.00 74.23 H new ATOM 1489 N ASP A 88 -5.066 -13.774 -9.098 1.00 51.20 N ATOM 1490 CA ASP A 88 -3.821 -13.334 -9.748 1.00 31.33 C ATOM 1491 C ASP A 88 -2.904 -12.560 -8.783 1.00 53.45 C ATOM 1492 O ASP A 88 -2.232 -11.621 -9.212 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.069 -12.555 -11.063 1.00 70.11 C ATOM 1494 CG ASP A 88 -4.963 -13.275 -12.073 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -6.199 -13.127 -11.959 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -4.385 -13.940 -12.960 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.629 -12.992 -8.763 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.292 -14.244 -10.030 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -4.520 -11.593 -10.820 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -3.108 -12.347 -11.533 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.853 -12.988 -7.506 1.00 44.15 N ATOM 1502 CA ASN A 89 -2.024 -12.426 -6.419 1.00 32.45 C ATOM 1503 C ASN A 89 -2.259 -10.919 -6.164 1.00 53.43 C ATOM 1504 O ASN A 89 -1.311 -10.175 -5.914 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.508 -12.847 -6.446 1.00 21.54 C ATOM 1506 CG ASN A 89 0.013 -13.615 -7.666 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.293 -14.791 -7.848 1.00 53.32 O ATOM 1508 ND2 ASN A 89 0.816 -12.953 -8.501 1.00 2.41 N ATOM 0 H ASN A 89 -3.418 -13.776 -7.188 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.405 -12.922 -5.526 1.00 32.45 H new ATOM 0 HB2 ASN A 89 0.090 -11.941 -6.343 1.00 21.54 H new ATOM 0 HB3 ASN A 89 -0.317 -13.457 -5.563 1.00 21.54 H new ATOM 0 HD21 ASN A 89 1.197 -13.423 -9.322 1.00 2.41 H new ATOM 0 HD22 ASN A 89 1.049 -11.977 -8.318 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.529 -10.487 -6.268 1.00 32.00 N ATOM 1516 CA LYS A 90 -3.933 -9.080 -6.249 1.00 75.42 C ATOM 1517 C LYS A 90 -5.019 -8.833 -5.200 1.00 54.10 C ATOM 1518 O LYS A 90 -5.993 -9.583 -5.149 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.418 -8.679 -7.661 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.249 -8.480 -8.641 1.00 64.21 C ATOM 1521 CD LYS A 90 -3.631 -8.570 -10.124 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.390 -7.346 -10.646 1.00 74.24 C ATOM 1523 NZ LYS A 90 -4.636 -7.468 -12.093 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.317 -11.126 -6.370 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.078 -8.462 -5.974 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.086 -9.449 -8.046 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -4.997 -7.758 -7.597 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -2.799 -7.505 -8.455 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -2.485 -9.229 -8.431 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -2.725 -8.702 -10.715 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -4.244 -9.458 -10.278 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.338 -7.246 -10.117 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -3.816 -6.442 -10.444 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -5.151 -6.630 -12.429 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -3.728 -7.541 -12.595 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -5.203 -8.320 -12.278 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.839 -7.749 -4.427 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.809 -7.213 -3.472 1.00 44.30 C ATOM 1539 C LEU A 91 -6.433 -5.934 -4.050 1.00 43.45 C ATOM 1540 O LEU A 91 -5.755 -5.205 -4.776 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.106 -6.861 -2.141 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.489 -8.049 -1.375 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.458 -7.578 -0.335 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -5.584 -8.896 -0.714 1.00 64.04 C ATOM 0 H LEU A 91 -3.977 -7.204 -4.456 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.578 -7.963 -3.290 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.318 -6.137 -2.348 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -5.828 -6.368 -1.490 1.00 2.44 H new ATOM 0 HG LEU A 91 -3.963 -8.671 -2.099 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.045 -8.442 0.185 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.655 -7.038 -0.837 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -3.943 -6.919 0.385 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.127 -9.728 -0.179 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.147 -8.280 -0.013 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.257 -9.282 -1.479 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.697 -5.663 -3.686 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.418 -4.445 -4.070 1.00 34.04 C ATOM 1558 C VAL A 92 -9.307 -3.986 -2.897 1.00 1.21 C ATOM 1559 O VAL A 92 -10.006 -4.809 -2.307 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.322 -4.658 -5.325 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.111 -3.396 -5.735 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.531 -5.167 -6.546 1.00 51.23 C ATOM 0 H VAL A 92 -8.252 -6.295 -3.109 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.670 -3.691 -4.316 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.034 -5.422 -5.014 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.718 -3.616 -6.614 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -10.759 -3.089 -4.914 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.414 -2.591 -5.967 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.209 -5.298 -7.390 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -7.760 -4.442 -6.808 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.064 -6.122 -6.305 1.00 51.23 H new ATOM 1572 N THR A 93 -9.285 -2.672 -2.615 1.00 62.12 N ATOM 1573 CA THR A 93 -10.073 -2.003 -1.576 1.00 15.25 C ATOM 1574 C THR A 93 -10.419 -0.560 -2.009 1.00 24.45 C ATOM 1575 O THR A 93 -9.759 -0.026 -2.901 1.00 31.45 O ATOM 1576 CB THR A 93 -9.316 -1.992 -0.217 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.102 -1.382 0.786 1.00 74.54 O ATOM 1578 CG2 THR A 93 -7.963 -1.262 -0.215 1.00 53.44 C ATOM 0 H THR A 93 -8.690 -2.023 -3.130 1.00 62.12 H new ATOM 0 HA THR A 93 -10.999 -2.563 -1.442 1.00 15.25 H new ATOM 0 HB THR A 93 -9.125 -3.048 -0.026 1.00 54.24 H new ATOM 0 HG1 THR A 93 -9.707 -0.519 1.031 1.00 74.54 H new ATOM 0 HG21 THR A 93 -7.522 -1.315 0.780 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.294 -1.734 -0.934 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.112 -0.218 -0.490 1.00 53.44 H new ATOM 1586 N THR A 94 -11.453 0.046 -1.398 1.00 1.14 N ATOM 1587 CA THR A 94 -11.915 1.393 -1.741 1.00 54.14 C ATOM 1588 C THR A 94 -12.253 2.196 -0.470 1.00 52.11 C ATOM 1589 O THR A 94 -13.244 1.892 0.193 1.00 1.32 O ATOM 1590 CB THR A 94 -13.162 1.360 -2.669 1.00 44.02 C ATOM 1591 OG1 THR A 94 -12.925 0.511 -3.778 1.00 73.45 O ATOM 1592 CG2 THR A 94 -13.550 2.739 -3.230 1.00 1.00 C ATOM 0 H THR A 94 -11.991 -0.391 -0.650 1.00 1.14 H new ATOM 0 HA THR A 94 -11.098 1.878 -2.275 1.00 54.14 H new ATOM 0 HB THR A 94 -13.978 0.998 -2.043 1.00 44.02 H new ATOM 0 HG1 THR A 94 -13.717 0.497 -4.354 1.00 73.45 H new ATOM 0 HG21 THR A 94 -14.428 2.638 -3.868 1.00 1.00 H new ATOM 0 HG22 THR A 94 -13.776 3.416 -2.406 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.722 3.141 -3.813 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.429 3.210 -0.162 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.539 4.056 1.029 1.00 32.54 C ATOM 1602 C PHE A 95 -11.405 5.534 0.633 1.00 11.00 C ATOM 1603 O PHE A 95 -10.482 5.859 -0.107 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.466 3.622 2.061 1.00 13.41 C ATOM 1605 CG PHE A 95 -9.003 3.729 1.645 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.363 2.647 1.006 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.312 4.954 1.762 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -7.050 2.775 0.575 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -7.006 5.067 1.310 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.374 3.980 0.723 1.00 64.14 C ATOM 0 H PHE A 95 -10.643 3.469 -0.758 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.518 3.936 1.493 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.604 4.221 2.961 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.663 2.585 2.334 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -8.894 1.719 0.852 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.803 5.808 2.206 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.550 1.932 0.121 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.479 6.004 1.415 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.354 4.071 0.380 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.302 6.399 1.147 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.320 7.867 0.989 1.00 2.14 C ATOM 1622 C LYS A 96 -11.963 8.374 -0.426 1.00 73.30 C ATOM 1623 O LYS A 96 -10.924 9.010 -0.586 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.403 8.537 2.043 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.888 8.453 3.498 1.00 52.21 C ATOM 1626 CD LYS A 96 -11.572 9.731 4.296 1.00 65.24 C ATOM 1627 CE LYS A 96 -10.078 10.083 4.362 1.00 44.02 C ATOM 1628 NZ LYS A 96 -9.861 11.424 4.925 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.081 6.071 1.718 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.358 8.157 1.149 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.415 8.080 1.982 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.285 9.588 1.779 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.964 8.277 3.510 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -11.420 7.598 3.986 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -12.111 10.567 3.849 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -11.951 9.614 5.311 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -9.556 9.344 4.970 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.648 10.034 3.362 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -9.559 12.073 4.170 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -10.746 11.771 5.346 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -9.124 11.378 5.657 1.00 40.12 H new ATOM 1642 N ASN A 97 -12.791 8.019 -1.425 1.00 34.43 N ATOM 1643 CA ASN A 97 -12.642 8.302 -2.866 1.00 42.31 C ATOM 1644 C ASN A 97 -11.459 7.597 -3.581 1.00 20.05 C ATOM 1645 O ASN A 97 -11.398 7.666 -4.809 1.00 24.34 O ATOM 1646 CB ASN A 97 -12.771 9.828 -3.194 1.00 63.24 C ATOM 1647 CG ASN A 97 -11.551 10.746 -2.976 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -10.408 10.355 -3.180 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -11.791 11.995 -2.571 1.00 21.54 N ATOM 0 H ASN A 97 -13.642 7.490 -1.234 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.504 7.814 -3.321 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -13.066 9.916 -4.240 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -13.592 10.225 -2.597 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -11.016 12.642 -2.426 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -12.750 12.302 -2.406 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.556 6.942 -2.829 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.348 6.302 -3.341 1.00 11.54 C ATOM 1658 C ILE A 98 -9.628 4.808 -3.584 1.00 44.12 C ATOM 1659 O ILE A 98 -9.774 4.043 -2.631 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.136 6.434 -2.362 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -7.798 7.910 -2.048 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.868 5.712 -2.866 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.141 8.116 -0.675 1.00 25.24 C ATOM 0 H ILE A 98 -10.657 6.845 -1.819 1.00 51.10 H new ATOM 0 HA ILE A 98 -9.083 6.809 -4.269 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.460 5.942 -1.445 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.131 8.293 -2.821 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -8.713 8.501 -2.095 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -6.064 5.841 -2.142 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -7.079 4.650 -2.988 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.565 6.135 -3.824 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -6.933 9.176 -0.526 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -7.814 7.765 0.107 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.208 7.554 -0.630 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.655 4.433 -4.871 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.656 3.056 -5.355 1.00 5.21 C ATOM 1677 C LYS A 99 -8.210 2.533 -5.305 1.00 52.23 C ATOM 1678 O LYS A 99 -7.413 2.883 -6.175 1.00 5.11 O ATOM 1679 CB LYS A 99 -10.250 3.064 -6.783 1.00 24.03 C ATOM 1680 CG LYS A 99 -10.254 1.723 -7.543 1.00 41.04 C ATOM 1681 CD LYS A 99 -11.296 0.721 -7.024 1.00 15.11 C ATOM 1682 CE LYS A 99 -11.401 -0.520 -7.924 1.00 4.42 C ATOM 1683 NZ LYS A 99 -12.526 -1.380 -7.522 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.678 5.114 -5.630 1.00 23.23 H new ATOM 0 HA LYS A 99 -10.265 2.390 -4.743 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -11.278 3.422 -6.721 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.695 3.789 -7.378 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -10.442 1.915 -8.599 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -9.264 1.273 -7.473 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -11.031 0.414 -6.012 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -12.269 1.209 -6.964 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -11.530 -0.210 -8.961 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -10.471 -1.087 -7.875 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -12.570 -2.209 -8.148 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -12.389 -1.695 -6.540 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -13.415 -0.845 -7.593 1.00 61.23 H new ATOM 1697 N SER A 100 -7.899 1.742 -4.271 1.00 12.14 N ATOM 1698 CA SER A 100 -6.571 1.192 -4.022 1.00 4.03 C ATOM 1699 C SER A 100 -6.478 -0.260 -4.517 1.00 14.30 C ATOM 1700 O SER A 100 -7.416 -1.039 -4.358 1.00 34.33 O ATOM 1701 CB SER A 100 -6.265 1.318 -2.522 1.00 31.31 C ATOM 1702 OG SER A 100 -5.001 0.782 -2.174 1.00 30.12 O ATOM 0 H SER A 100 -8.585 1.463 -3.570 1.00 12.14 H new ATOM 0 HA SER A 100 -5.821 1.752 -4.580 1.00 4.03 H new ATOM 0 HB2 SER A 100 -6.300 2.369 -2.235 1.00 31.31 H new ATOM 0 HB3 SER A 100 -7.041 0.806 -1.953 1.00 31.31 H new ATOM 0 HG SER A 100 -4.854 0.889 -1.211 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.316 -0.579 -5.094 1.00 15.43 N ATOM 1709 CA VAL A 101 -4.955 -1.873 -5.652 1.00 41.42 C ATOM 1710 C VAL A 101 -3.546 -2.219 -5.137 1.00 73.31 C ATOM 1711 O VAL A 101 -2.692 -1.336 -5.072 1.00 50.41 O ATOM 1712 CB VAL A 101 -4.903 -1.806 -7.210 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.492 -3.136 -7.879 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.233 -1.315 -7.816 1.00 33.25 C ATOM 0 H VAL A 101 -4.563 0.103 -5.186 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.693 -2.619 -5.357 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.120 -1.078 -7.424 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.479 -3.010 -8.962 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.499 -3.425 -7.535 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.208 -3.914 -7.613 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.149 -1.285 -8.902 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.035 -1.996 -7.533 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.457 -0.316 -7.442 1.00 33.25 H new ATOM 1724 N THR A 102 -3.326 -3.498 -4.805 1.00 24.33 N ATOM 1725 CA THR A 102 -2.004 -4.051 -4.501 1.00 33.12 C ATOM 1726 C THR A 102 -1.790 -5.312 -5.352 1.00 23.12 C ATOM 1727 O THR A 102 -2.762 -5.992 -5.677 1.00 43.43 O ATOM 1728 CB THR A 102 -1.849 -4.465 -3.011 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.317 -3.434 -2.163 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.406 -4.797 -2.589 1.00 31.04 C ATOM 0 H THR A 102 -4.075 -4.187 -4.740 1.00 24.33 H new ATOM 0 HA THR A 102 -1.275 -3.271 -4.718 1.00 33.12 H new ATOM 0 HB THR A 102 -2.441 -5.375 -2.912 1.00 41.33 H new ATOM 0 HG1 THR A 102 -2.215 -3.708 -1.228 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.390 -5.075 -1.535 1.00 31.04 H new ATOM 0 HG22 THR A 102 -0.033 -5.627 -3.189 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.228 -3.924 -2.743 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.526 -5.604 -5.686 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.137 -6.776 -6.454 1.00 44.25 C ATOM 1740 C GLU A 103 1.204 -7.305 -5.938 1.00 51.33 C ATOM 1741 O GLU A 103 2.214 -6.616 -6.069 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.105 -6.417 -7.956 1.00 1.24 C ATOM 1743 CG GLU A 103 0.323 -7.579 -8.877 1.00 23.53 C ATOM 1744 CD GLU A 103 0.204 -7.228 -10.360 1.00 32.14 C ATOM 1745 OE1 GLU A 103 1.199 -7.469 -11.078 1.00 13.35 O ATOM 1746 OE2 GLU A 103 -0.878 -6.739 -10.755 1.00 63.03 O1- ATOM 0 H GLU A 103 0.264 -5.016 -5.421 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.865 -7.578 -6.330 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.095 -6.076 -8.257 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.579 -5.581 -8.103 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.354 -7.854 -8.654 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.293 -8.453 -8.664 1.00 23.53 H new ATOM 1753 N LEU A 104 1.186 -8.547 -5.434 1.00 12.24 N ATOM 1754 CA LEU A 104 2.367 -9.388 -5.264 1.00 3.33 C ATOM 1755 C LEU A 104 2.783 -9.933 -6.641 1.00 4.31 C ATOM 1756 O LEU A 104 1.927 -10.371 -7.410 1.00 24.51 O ATOM 1757 CB LEU A 104 2.043 -10.505 -4.241 1.00 50.23 C ATOM 1758 CG LEU A 104 3.053 -11.672 -4.128 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.391 -11.225 -3.516 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.436 -12.833 -3.332 1.00 40.33 C ATOM 0 H LEU A 104 0.326 -9.001 -5.127 1.00 12.24 H new ATOM 0 HA LEU A 104 3.211 -8.824 -4.867 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.946 -10.045 -3.258 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.069 -10.924 -4.495 1.00 50.23 H new ATOM 0 HG LEU A 104 3.273 -12.019 -5.138 1.00 42.43 H new ATOM 0 HD11 LEU A 104 5.067 -12.078 -3.457 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.837 -10.451 -4.141 1.00 52.40 H new ATOM 0 HD13 LEU A 104 4.219 -10.828 -2.515 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.156 -13.648 -3.260 1.00 40.33 H new ATOM 0 HD22 LEU A 104 2.175 -12.490 -2.331 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.539 -13.186 -3.840 1.00 40.33 H new ATOM 1772 N ASN A 105 4.092 -9.897 -6.917 1.00 14.25 N ATOM 1773 CA ASN A 105 4.663 -10.326 -8.185 1.00 22.34 C ATOM 1774 C ASN A 105 6.064 -10.892 -7.910 1.00 31.52 C ATOM 1775 O ASN A 105 7.071 -10.240 -8.192 1.00 42.33 O ATOM 1776 CB ASN A 105 4.631 -9.158 -9.207 1.00 62.45 C ATOM 1777 CG ASN A 105 4.471 -9.658 -10.644 1.00 34.21 C ATOM 1778 OD1 ASN A 105 5.458 -9.946 -11.314 1.00 21.24 O ATOM 1779 ND2 ASN A 105 3.230 -9.766 -11.122 1.00 62.21 N ATOM 0 H ASN A 105 4.789 -9.563 -6.251 1.00 14.25 H new ATOM 0 HA ASN A 105 4.077 -11.122 -8.645 1.00 22.34 H new ATOM 0 HB2 ASN A 105 3.808 -8.486 -8.963 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.551 -8.579 -9.125 1.00 62.45 H new ATOM 0 HD21 ASN A 105 3.077 -10.097 -12.074 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.434 -9.517 -10.535 1.00 62.21 H new ATOM 1786 N GLY A 106 6.087 -12.097 -7.311 1.00 23.14 N ATOM 1787 CA GLY A 106 7.298 -12.791 -6.885 1.00 31.34 C ATOM 1788 C GLY A 106 7.818 -12.131 -5.605 1.00 2.33 C ATOM 1789 O GLY A 106 7.303 -12.389 -4.517 1.00 44.23 O ATOM 0 H GLY A 106 5.236 -12.622 -7.108 1.00 23.14 H new ATOM 0 HA2 GLY A 106 7.086 -13.845 -6.707 1.00 31.34 H new ATOM 0 HA3 GLY A 106 8.055 -12.745 -7.668 1.00 31.34 H new ATOM 1793 N ASP A 107 8.845 -11.285 -5.766 1.00 52.25 N ATOM 1794 CA ASP A 107 9.492 -10.496 -4.715 1.00 15.31 C ATOM 1795 C ASP A 107 9.188 -8.989 -4.841 1.00 53.11 C ATOM 1796 O ASP A 107 9.584 -8.235 -3.952 1.00 64.54 O ATOM 1797 CB ASP A 107 11.020 -10.731 -4.697 1.00 73.33 C ATOM 1798 CG ASP A 107 11.419 -12.207 -4.614 1.00 71.23 C ATOM 1799 OD1 ASP A 107 11.251 -12.781 -3.514 1.00 43.31 O ATOM 1800 OD2 ASP A 107 11.908 -12.728 -5.638 1.00 42.41 O1- ATOM 0 H ASP A 107 9.267 -11.126 -6.681 1.00 52.25 H new ATOM 0 HA ASP A 107 9.072 -10.840 -3.770 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.455 -10.297 -5.597 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.450 -10.200 -3.847 1.00 73.33 H new ATOM 1805 N ILE A 108 8.506 -8.565 -5.921 1.00 11.24 N ATOM 1806 CA ILE A 108 8.191 -7.162 -6.203 1.00 74.42 C ATOM 1807 C ILE A 108 6.722 -6.905 -5.817 1.00 20.20 C ATOM 1808 O ILE A 108 5.849 -7.664 -6.238 1.00 10.32 O ATOM 1809 CB ILE A 108 8.342 -6.830 -7.722 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.629 -7.408 -8.358 1.00 52.31 C ATOM 1811 CG2 ILE A 108 8.223 -5.315 -8.006 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.939 -7.027 -7.653 1.00 15.22 C ATOM 0 H ILE A 108 8.154 -9.205 -6.633 1.00 11.24 H new ATOM 0 HA ILE A 108 8.882 -6.540 -5.634 1.00 74.42 H new ATOM 0 HB ILE A 108 7.503 -7.332 -8.204 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.549 -8.495 -8.376 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.683 -7.075 -9.394 1.00 52.31 H new ATOM 0 HG21 ILE A 108 8.335 -5.135 -9.075 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.246 -4.959 -7.678 1.00 72.23 H new ATOM 0 HG23 ILE A 108 9.004 -4.781 -7.465 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.780 -7.482 -8.177 1.00 15.22 H new ATOM 0 HD12 ILE A 108 11.053 -5.943 -7.657 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.916 -7.385 -6.624 1.00 15.22 H new ATOM 1824 N ILE A 109 6.475 -5.839 -5.039 1.00 41.02 N ATOM 1825 CA ILE A 109 5.137 -5.416 -4.630 1.00 74.12 C ATOM 1826 C ILE A 109 4.835 -4.063 -5.290 1.00 72.34 C ATOM 1827 O ILE A 109 5.489 -3.072 -4.968 1.00 74.32 O ATOM 1828 CB ILE A 109 5.005 -5.235 -3.089 1.00 0.14 C ATOM 1829 CG1 ILE A 109 5.428 -6.494 -2.306 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.602 -4.758 -2.639 1.00 35.50 C ATOM 1831 CD1 ILE A 109 4.630 -7.766 -2.602 1.00 62.41 C ATOM 0 H ILE A 109 7.216 -5.241 -4.673 1.00 41.02 H new ATOM 0 HA ILE A 109 4.440 -6.195 -4.938 1.00 74.12 H new ATOM 0 HB ILE A 109 5.705 -4.436 -2.844 1.00 0.14 H new ATOM 0 HG12 ILE A 109 6.480 -6.691 -2.514 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.349 -6.279 -1.240 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.584 -4.654 -1.554 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.380 -3.795 -3.100 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.854 -5.489 -2.946 1.00 35.50 H new ATOM 0 HD11 ILE A 109 5.014 -8.586 -1.995 1.00 62.41 H new ATOM 0 HD12 ILE A 109 3.579 -7.600 -2.364 1.00 62.41 H new ATOM 0 HD13 ILE A 109 4.727 -8.019 -3.658 1.00 62.41 H new ATOM 1843 N THR A 110 3.827 -4.044 -6.171 1.00 52.21 N ATOM 1844 CA THR A 110 3.272 -2.810 -6.722 1.00 55.31 C ATOM 1845 C THR A 110 2.023 -2.426 -5.908 1.00 60.14 C ATOM 1846 O THR A 110 1.225 -3.301 -5.576 1.00 33.00 O ATOM 1847 CB THR A 110 2.859 -2.989 -8.207 1.00 23.34 C ATOM 1848 OG1 THR A 110 4.016 -3.306 -8.958 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.207 -1.757 -8.866 1.00 74.24 C ATOM 0 H THR A 110 3.375 -4.889 -6.520 1.00 52.21 H new ATOM 0 HA THR A 110 4.035 -2.033 -6.666 1.00 55.31 H new ATOM 0 HB THR A 110 2.105 -3.776 -8.206 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.772 -3.424 -9.900 1.00 43.22 H new ATOM 0 HG21 THR A 110 1.957 -1.988 -9.902 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.299 -1.492 -8.324 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.903 -0.919 -8.839 1.00 74.24 H new ATOM 1857 N ASN A 111 1.877 -1.124 -5.633 1.00 41.41 N ATOM 1858 CA ASN A 111 0.662 -0.503 -5.098 1.00 23.41 C ATOM 1859 C ASN A 111 0.258 0.600 -6.074 1.00 62.20 C ATOM 1860 O ASN A 111 1.128 1.338 -6.525 1.00 20.43 O ATOM 1861 CB ASN A 111 0.943 0.087 -3.697 1.00 72.21 C ATOM 1862 CG ASN A 111 0.891 -0.963 -2.586 1.00 71.22 C ATOM 1863 OD1 ASN A 111 1.902 -1.571 -2.243 1.00 2.22 O ATOM 1864 ND2 ASN A 111 -0.296 -1.173 -2.016 1.00 23.45 N ATOM 0 H ASN A 111 2.629 -0.451 -5.783 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.140 -1.234 -4.993 1.00 23.41 H new ATOM 0 HB2 ASN A 111 1.925 0.559 -3.698 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.214 0.869 -3.485 1.00 72.21 H new ATOM 0 HD21 ASN A 111 -0.388 -1.859 -1.267 1.00 23.45 H new ATOM 0 HD22 ASN A 111 -1.112 -0.648 -2.329 1.00 23.45 H new ATOM 1871 N THR A 112 -1.046 0.707 -6.360 1.00 33.00 N ATOM 1872 CA THR A 112 -1.625 1.749 -7.209 1.00 72.14 C ATOM 1873 C THR A 112 -2.882 2.305 -6.520 1.00 63.23 C ATOM 1874 O THR A 112 -3.647 1.525 -5.959 1.00 44.44 O ATOM 1875 CB THR A 112 -2.016 1.208 -8.612 1.00 60.33 C ATOM 1876 OG1 THR A 112 -0.890 0.613 -9.230 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.569 2.263 -9.589 1.00 12.21 C ATOM 0 H THR A 112 -1.742 0.055 -5.998 1.00 33.00 H new ATOM 0 HA THR A 112 -0.875 2.527 -7.349 1.00 72.14 H new ATOM 0 HB THR A 112 -2.817 0.495 -8.417 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.143 0.272 -10.113 1.00 13.12 H new ATOM 0 HG21 THR A 112 -2.812 1.787 -10.539 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.468 2.713 -9.168 1.00 12.21 H new ATOM 0 HG23 THR A 112 -1.819 3.036 -9.752 1.00 12.21 H new ATOM 1885 N MET A 113 -3.061 3.634 -6.545 1.00 11.55 N ATOM 1886 CA MET A 113 -4.147 4.333 -5.858 1.00 52.41 C ATOM 1887 C MET A 113 -4.727 5.421 -6.770 1.00 43.21 C ATOM 1888 O MET A 113 -4.138 6.496 -6.891 1.00 62.25 O ATOM 1889 CB MET A 113 -3.636 4.926 -4.528 1.00 24.04 C ATOM 1890 CG MET A 113 -3.256 3.889 -3.462 1.00 35.13 C ATOM 1891 SD MET A 113 -2.755 4.626 -1.884 1.00 42.04 S ATOM 1892 CE MET A 113 -2.637 3.133 -0.867 1.00 12.50 C ATOM 0 H MET A 113 -2.440 4.262 -7.055 1.00 11.55 H new ATOM 0 HA MET A 113 -4.944 3.627 -5.626 1.00 52.41 H new ATOM 0 HB2 MET A 113 -2.765 5.548 -4.735 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.406 5.581 -4.119 1.00 24.04 H new ATOM 0 HG2 MET A 113 -4.105 3.227 -3.292 1.00 35.13 H new ATOM 0 HG3 MET A 113 -2.441 3.272 -3.841 1.00 35.13 H new ATOM 0 HE1 MET A 113 -2.337 3.405 0.145 1.00 12.50 H new ATOM 0 HE2 MET A 113 -3.607 2.636 -0.837 1.00 12.50 H new ATOM 0 HE3 MET A 113 -1.897 2.458 -1.296 1.00 12.50 H new ATOM 1902 N THR A 114 -5.884 5.122 -7.377 1.00 70.23 N ATOM 1903 CA THR A 114 -6.644 6.049 -8.213 1.00 53.04 C ATOM 1904 C THR A 114 -7.567 6.918 -7.334 1.00 72.10 C ATOM 1905 O THR A 114 -8.532 6.405 -6.769 1.00 25.44 O ATOM 1906 CB THR A 114 -7.492 5.289 -9.269 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.623 4.560 -10.114 1.00 22.51 O ATOM 1908 CG2 THR A 114 -8.378 6.186 -10.156 1.00 60.41 C ATOM 0 H THR A 114 -6.324 4.205 -7.295 1.00 70.23 H new ATOM 0 HA THR A 114 -5.933 6.687 -8.739 1.00 53.04 H new ATOM 0 HB THR A 114 -8.167 4.649 -8.701 1.00 25.24 H new ATOM 0 HG1 THR A 114 -7.149 4.075 -10.784 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.932 5.567 -10.861 1.00 60.41 H new ATOM 0 HG22 THR A 114 -9.079 6.738 -9.530 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.751 6.888 -10.705 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.233 8.214 -7.248 1.00 21.03 N ATOM 1917 CA LEU A 115 -7.928 9.250 -6.488 1.00 55.34 C ATOM 1918 C LEU A 115 -8.565 10.207 -7.504 1.00 64.34 C ATOM 1919 O LEU A 115 -7.913 11.167 -7.919 1.00 21.52 O ATOM 1920 CB LEU A 115 -6.883 9.958 -5.584 1.00 4.13 C ATOM 1921 CG LEU A 115 -7.415 10.853 -4.439 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -6.263 11.324 -3.528 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -8.258 12.060 -4.897 1.00 53.31 C ATOM 0 H LEU A 115 -6.419 8.584 -7.740 1.00 21.03 H new ATOM 0 HA LEU A 115 -8.714 8.853 -5.845 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -6.246 9.191 -5.143 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.247 10.572 -6.222 1.00 4.13 H new ATOM 0 HG LEU A 115 -8.097 10.213 -3.879 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -6.662 11.951 -2.731 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -5.766 10.457 -3.093 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -5.545 11.897 -4.115 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -8.586 12.627 -4.025 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -7.656 12.701 -5.541 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -9.129 11.707 -5.449 1.00 53.31 H new ATOM 1935 N GLY A 116 -9.821 9.930 -7.897 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.575 10.750 -8.847 1.00 74.52 C ATOM 1937 C GLY A 116 -9.932 10.675 -10.240 1.00 34.22 C ATOM 1938 O GLY A 116 -10.112 9.681 -10.941 1.00 60.22 O ATOM 0 H GLY A 116 -10.342 9.121 -7.557 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.608 10.405 -8.896 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.600 11.785 -8.505 1.00 74.52 H new ATOM 1942 N ASP A 117 -9.197 11.737 -10.611 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.474 11.870 -11.881 1.00 12.31 C ATOM 1944 C ASP A 117 -6.944 11.699 -11.711 1.00 24.33 C ATOM 1945 O ASP A 117 -6.241 11.667 -12.722 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.793 13.242 -12.529 1.00 10.40 C ATOM 1947 CG ASP A 117 -8.830 13.207 -14.061 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -9.576 12.358 -14.598 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -8.186 14.092 -14.666 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.088 12.554 -10.011 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.814 11.067 -12.535 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -9.756 13.593 -12.159 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -8.045 13.967 -12.209 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.442 11.582 -10.468 1.00 63.44 N ATOM 1955 CA ILE A 118 -5.031 11.320 -10.156 1.00 63.52 C ATOM 1956 C ILE A 118 -4.830 9.797 -10.013 1.00 62.02 C ATOM 1957 O ILE A 118 -5.722 9.130 -9.491 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.612 11.972 -8.800 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -5.005 13.465 -8.692 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.114 11.789 -8.469 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -4.464 14.362 -9.814 1.00 63.33 C ATOM 0 H ILE A 118 -7.023 11.670 -9.634 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.427 11.740 -10.960 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.185 11.423 -8.052 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -6.092 13.539 -8.681 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.650 13.850 -7.736 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -2.891 12.266 -7.514 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -2.882 10.726 -8.406 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.510 12.246 -9.253 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.793 15.388 -9.650 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -3.375 14.326 -9.815 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.840 14.010 -10.775 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.672 9.274 -10.452 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.322 7.859 -10.299 1.00 40.30 C ATOM 1975 C VAL A 119 -1.901 7.757 -9.720 1.00 12.04 C ATOM 1976 O VAL A 119 -0.925 7.762 -10.467 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.419 7.062 -11.636 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -3.044 5.571 -11.480 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.823 7.163 -12.259 1.00 31.10 C ATOM 0 H VAL A 119 -2.954 9.825 -10.923 1.00 14.52 H new ATOM 0 HA VAL A 119 -4.045 7.408 -9.620 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.691 7.528 -12.300 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -3.131 5.071 -12.445 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -2.018 5.490 -11.120 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.718 5.099 -10.765 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.850 6.595 -13.189 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.559 6.758 -11.565 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -5.055 8.208 -12.465 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.827 7.652 -8.384 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.604 7.339 -7.646 1.00 3.10 C ATOM 1991 C PHE A 120 -0.174 5.883 -7.846 1.00 33.01 C ATOM 1992 O PHE A 120 -1.025 5.022 -8.063 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.808 7.686 -6.161 1.00 54.44 C ATOM 1994 CG PHE A 120 0.315 7.358 -5.188 1.00 55.23 C ATOM 1995 CD1 PHE A 120 0.122 6.455 -4.121 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.583 7.946 -5.362 1.00 34.05 C ATOM 1997 CE1 PHE A 120 1.164 6.180 -3.244 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.617 7.641 -4.491 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.404 6.776 -3.427 1.00 21.32 C ATOM 0 H PHE A 120 -2.636 7.786 -7.778 1.00 54.22 H new ATOM 0 HA PHE A 120 0.213 7.946 -8.037 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.007 8.756 -6.093 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.706 7.172 -5.819 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -0.837 5.977 -3.986 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.750 8.636 -6.176 1.00 34.05 H new ATOM 0 HE1 PHE A 120 1.009 5.501 -2.418 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.593 8.079 -4.641 1.00 11.14 H new ATOM 0 HZ PHE A 120 3.208 6.565 -2.737 1.00 21.32 H new ATOM 2009 N LYS A 121 1.138 5.646 -7.744 1.00 52.41 N ATOM 2010 CA LYS A 121 1.730 4.322 -7.811 1.00 73.41 C ATOM 2011 C LYS A 121 3.001 4.300 -6.953 1.00 64.01 C ATOM 2012 O LYS A 121 3.734 5.288 -6.938 1.00 13.03 O ATOM 2013 CB LYS A 121 1.998 3.970 -9.293 1.00 1.55 C ATOM 2014 CG LYS A 121 2.444 2.517 -9.560 1.00 70.32 C ATOM 2015 CD LYS A 121 3.679 2.417 -10.467 1.00 62.43 C ATOM 2016 CE LYS A 121 3.427 2.896 -11.906 1.00 24.15 C ATOM 2017 NZ LYS A 121 4.679 2.950 -12.679 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.824 6.389 -7.610 1.00 52.41 H new ATOM 0 HA LYS A 121 1.057 3.563 -7.412 1.00 73.41 H new ATOM 0 HB2 LYS A 121 1.090 4.164 -9.864 1.00 1.55 H new ATOM 0 HB3 LYS A 121 2.765 4.643 -9.675 1.00 1.55 H new ATOM 0 HG2 LYS A 121 2.660 2.030 -8.609 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.620 1.970 -10.018 1.00 70.32 H new ATOM 0 HD2 LYS A 121 4.487 3.006 -10.033 1.00 62.43 H new ATOM 0 HD3 LYS A 121 4.018 1.381 -10.492 1.00 62.43 H new ATOM 0 HE2 LYS A 121 2.723 2.224 -12.397 1.00 24.15 H new ATOM 0 HE3 LYS A 121 2.966 3.883 -11.887 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 4.834 3.920 -13.021 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 5.474 2.665 -12.072 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 4.614 2.303 -13.491 1.00 62.52 H new ATOM 2031 N ARG A 122 3.262 3.156 -6.306 1.00 1.23 N ATOM 2032 CA ARG A 122 4.571 2.785 -5.776 1.00 45.20 C ATOM 2033 C ARG A 122 5.028 1.457 -6.383 1.00 21.25 C ATOM 2034 O ARG A 122 4.210 0.630 -6.788 1.00 54.25 O ATOM 2035 CB ARG A 122 4.579 2.607 -4.248 1.00 32.24 C ATOM 2036 CG ARG A 122 4.041 3.764 -3.403 1.00 3.01 C ATOM 2037 CD ARG A 122 4.723 3.766 -2.026 1.00 11.54 C ATOM 2038 NE ARG A 122 3.931 4.438 -0.994 1.00 34.20 N ATOM 2039 CZ ARG A 122 3.071 3.800 -0.181 1.00 63.42 C ATOM 2040 NH1 ARG A 122 2.868 2.475 -0.275 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 2.409 4.496 0.747 1.00 34.12 N ATOM 0 H ARG A 122 2.547 2.449 -6.135 1.00 1.23 H new ATOM 0 HA ARG A 122 5.238 3.606 -6.039 1.00 45.20 H new ATOM 0 HB2 ARG A 122 3.998 1.716 -4.009 1.00 32.24 H new ATOM 0 HB3 ARG A 122 5.605 2.411 -3.937 1.00 32.24 H new ATOM 0 HG2 ARG A 122 4.223 4.712 -3.910 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.962 3.668 -3.284 1.00 3.01 H new ATOM 0 HD2 ARG A 122 4.911 2.737 -1.719 1.00 11.54 H new ATOM 0 HD3 ARG A 122 5.693 4.257 -2.108 1.00 11.54 H new ATOM 0 HE ARG A 122 4.038 5.447 -0.886 1.00 34.20 H new ATOM 0 HH11 ARG A 122 3.372 1.930 -0.975 1.00 43.43 H new ATOM 0 HH12 ARG A 122 2.210 2.014 0.354 1.00 43.43 H new ATOM 0 HH21 ARG A 122 2.558 5.501 0.834 1.00 34.12 H new ATOM 0 HH22 ARG A 122 1.754 4.022 1.369 1.00 34.12 H new ATOM 2055 N ILE A 123 6.351 1.269 -6.333 1.00 44.02 N ATOM 2056 CA ILE A 123 7.038 0.008 -6.545 1.00 1.53 C ATOM 2057 C ILE A 123 7.916 -0.204 -5.299 1.00 42.14 C ATOM 2058 O ILE A 123 8.701 0.678 -4.943 1.00 11.14 O ATOM 2059 CB ILE A 123 7.966 0.040 -7.798 1.00 33.44 C ATOM 2060 CG1 ILE A 123 7.219 0.501 -9.075 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.611 -1.343 -8.046 1.00 11.42 C ATOM 2062 CD1 ILE A 123 7.220 2.025 -9.295 1.00 61.45 C ATOM 0 H ILE A 123 6.995 2.034 -6.133 1.00 44.02 H new ATOM 0 HA ILE A 123 6.308 -0.785 -6.706 1.00 1.53 H new ATOM 0 HB ILE A 123 8.746 0.770 -7.584 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.674 0.020 -9.941 1.00 44.22 H new ATOM 0 HG13 ILE A 123 6.187 0.154 -9.023 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.253 -1.293 -8.925 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.206 -1.628 -7.178 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.829 -2.085 -8.209 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.676 2.261 -10.210 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.737 2.515 -8.449 1.00 61.45 H new ATOM 0 HD13 ILE A 123 8.247 2.379 -9.382 1.00 61.45 H new ATOM 2074 N SER A 124 7.764 -1.376 -4.675 1.00 22.23 N ATOM 2075 CA SER A 124 8.557 -1.849 -3.543 1.00 32.50 C ATOM 2076 C SER A 124 9.121 -3.238 -3.888 1.00 25.54 C ATOM 2077 O SER A 124 8.611 -3.899 -4.791 1.00 1.51 O ATOM 2078 CB SER A 124 7.667 -1.894 -2.283 1.00 13.10 C ATOM 2079 OG SER A 124 7.404 -0.589 -1.806 1.00 34.43 O ATOM 0 H SER A 124 7.052 -2.049 -4.960 1.00 22.23 H new ATOM 0 HA SER A 124 9.390 -1.176 -3.341 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.728 -2.398 -2.513 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.159 -2.478 -1.505 1.00 13.10 H new ATOM 0 HG SER A 124 6.837 -0.640 -1.008 1.00 34.43 H new ATOM 2085 N LYS A 125 10.182 -3.655 -3.177 1.00 24.13 N ATOM 2086 CA LYS A 125 10.898 -4.904 -3.446 1.00 34.33 C ATOM 2087 C LYS A 125 11.428 -5.505 -2.137 1.00 1.52 C ATOM 2088 O LYS A 125 11.893 -4.762 -1.273 1.00 34.02 O ATOM 2089 CB LYS A 125 11.992 -4.640 -4.506 1.00 65.50 C ATOM 2090 CG LYS A 125 12.801 -5.873 -4.962 1.00 71.15 C ATOM 2091 CD LYS A 125 14.141 -6.083 -4.239 1.00 22.53 C ATOM 2092 CE LYS A 125 15.233 -5.094 -4.672 1.00 0.14 C ATOM 2093 NZ LYS A 125 16.517 -5.403 -4.025 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.567 -3.127 -2.394 1.00 24.13 H new ATOM 0 HA LYS A 125 10.227 -5.655 -3.863 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.521 -4.194 -5.382 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.687 -3.901 -4.107 1.00 65.50 H new ATOM 0 HG2 LYS A 125 12.187 -6.763 -4.820 1.00 71.15 H new ATOM 0 HG3 LYS A 125 12.994 -5.786 -6.031 1.00 71.15 H new ATOM 0 HD2 LYS A 125 13.983 -5.990 -3.164 1.00 22.53 H new ATOM 0 HD3 LYS A 125 14.489 -7.099 -4.423 1.00 22.53 H new ATOM 0 HE2 LYS A 125 15.351 -5.129 -5.755 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.929 -4.079 -4.417 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 17.236 -4.719 -4.336 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 16.408 -5.345 -2.992 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 16.816 -6.364 -4.289 1.00 21.45 H new ATOM 2107 N ARG A 126 11.329 -6.843 -2.033 1.00 63.52 N ATOM 2108 CA ARG A 126 11.587 -7.641 -0.832 1.00 41.42 C ATOM 2109 C ARG A 126 13.012 -7.490 -0.282 1.00 12.11 C ATOM 2110 O ARG A 126 13.977 -7.536 -1.044 1.00 24.21 O ATOM 2111 CB ARG A 126 11.240 -9.122 -1.113 1.00 33.20 C ATOM 2112 CG ARG A 126 11.300 -10.054 0.117 1.00 73.33 C ATOM 2113 CD ARG A 126 10.851 -11.502 -0.166 1.00 13.21 C ATOM 2114 NE ARG A 126 9.387 -11.680 -0.163 1.00 42.13 N ATOM 2115 CZ ARG A 126 8.717 -12.707 -0.723 1.00 14.43 C ATOM 2116 NH1 ARG A 126 9.321 -13.599 -1.518 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 7.407 -12.844 -0.482 1.00 4.03 N ATOM 0 H ARG A 126 11.053 -7.421 -2.827 1.00 63.52 H new ATOM 0 HA ARG A 126 10.940 -7.256 -0.044 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.237 -9.170 -1.537 1.00 33.20 H new ATOM 0 HB3 ARG A 126 11.925 -9.502 -1.871 1.00 33.20 H new ATOM 0 HG2 ARG A 126 12.321 -10.070 0.498 1.00 73.33 H new ATOM 0 HG3 ARG A 126 10.672 -9.638 0.905 1.00 73.33 H new ATOM 0 HD2 ARG A 126 11.244 -11.812 -1.134 1.00 13.21 H new ATOM 0 HD3 ARG A 126 11.290 -12.162 0.582 1.00 13.21 H new ATOM 0 HE ARG A 126 8.832 -10.963 0.304 1.00 42.13 H new ATOM 0 HH11 ARG A 126 10.318 -13.513 -1.716 1.00 70.12 H new ATOM 0 HH12 ARG A 126 8.784 -14.365 -1.926 1.00 70.12 H new ATOM 0 HH21 ARG A 126 6.926 -12.175 0.120 1.00 4.03 H new ATOM 0 HH22 ARG A 126 6.890 -13.617 -0.900 1.00 4.03 H new ATOM 2131 N ILE A 127 13.095 -7.352 1.051 1.00 50.12 N ATOM 2132 CA ILE A 127 14.333 -7.292 1.828 1.00 3.32 C ATOM 2133 C ILE A 127 14.176 -8.425 2.822 1.00 21.41 C ATOM 2134 O ILE A 127 15.139 -9.003 3.320 1.00 22.53 O ATOM 2135 CB ILE A 127 14.534 -5.896 2.501 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.376 -5.446 3.431 1.00 43.04 C ATOM 2137 CG2 ILE A 127 14.833 -4.817 1.443 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.683 -4.197 4.267 1.00 0.24 C ATOM 0 H ILE A 127 12.263 -7.276 1.637 1.00 50.12 H new ATOM 0 HA ILE A 127 15.231 -7.406 1.221 1.00 3.32 H new ATOM 0 HB ILE A 127 15.396 -6.019 3.157 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.492 -5.253 2.823 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.127 -6.267 4.104 1.00 43.04 H new ATOM 0 HG21 ILE A 127 14.969 -3.854 1.934 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.742 -5.080 0.902 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.000 -4.753 0.743 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.820 -3.953 4.887 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.546 -4.389 4.905 1.00 0.24 H new ATOM 0 HD13 ILE A 127 13.901 -3.360 3.604 1.00 0.24 H new TER 2150 ILE A 127