USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1125 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 114 ASN : amide:sc= 0.746 K(o=0.75,f=-0.82) USER MOD Set 1.2: A 117 MET CE :methyl -149:sc= 0 (180deg=-0.268) USER MOD Set 2.1: A 64 GLN : amide:sc= 1 K(o=2.2,f=0.89) USER MOD Set 2.2: A 67 ASN : amide:sc=-0.00661 K(o=2.2,f=0.81) USER MOD Set 2.3: A 69 HIS : no HD1:sc= 1.25 K(o=2.2,f=-8.7!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.1 K(o=2.2,f=-0.14) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.11 K(o=2.2,f=1.1) USER MOD Set 4.1: A 16 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 4.2: A 30 MET CE :methyl -177:sc= -0.0253 (180deg=-0.0447) USER MOD Set 5.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0155) USER MOD Single : A 7 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.014) USER MOD Single : A 8 MET CE :methyl 165:sc= 0 (180deg=-0.231) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.862 K(o=0.86,f=-5.5!) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0169) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.00033) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00521) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0189 X(o=0.019,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.79) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= 0.00243 (180deg=-1.78) USER MOD Single : A 66 MET CE :methyl -172:sc= 0 (180deg=-0.0826) USER MOD Single : A 70 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0.423 (180deg=0.197) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -119:sc= -0.0722 (180deg=-0.189) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.0511 K(o=0.051,f=-5.9!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000692) USER MOD Single : A 89 GLN : amide:sc= -0.256 X(o=-0.26,f=0.0024) USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= 0.941 (180deg=0.563) USER MOD Single : A 95 HIS : no HD1:sc= 0.886 K(o=0.89,f=-4.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.97 K(o=-2,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.32 USER MOD Single : A 112 MET CE :methyl 173:sc= -0.0198 (180deg=-0.113) USER MOD Single : A 120 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0405) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0207) USER MOD Single : A 131 THR OG1 : rot 180:sc=-0.000306 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.282 -20.256 -2.433 1.00 41.23 N ATOM 2 CA SER A 1 9.079 -18.753 -2.484 1.00 50.21 C ATOM 3 C SER A 1 8.628 -18.112 -1.182 1.00 13.24 C ATOM 4 O SER A 1 9.126 -17.057 -0.786 1.00 1.23 O ATOM 5 CB SER A 1 8.038 -18.377 -3.585 1.00 35.33 C ATOM 6 OG SER A 1 8.519 -18.672 -4.898 1.00 24.40 O ATOM 0 H1 SER A 1 9.588 -20.597 -3.367 1.00 41.23 H new ATOM 0 H2 SER A 1 10.009 -20.484 -1.725 1.00 41.23 H new ATOM 0 H3 SER A 1 8.388 -20.718 -2.172 1.00 41.23 H new ATOM 0 HA SER A 1 10.072 -18.361 -2.705 1.00 50.21 H new ATOM 0 HB2 SER A 1 7.110 -18.921 -3.408 1.00 35.33 H new ATOM 0 HB3 SER A 1 7.803 -17.315 -3.515 1.00 35.33 H new ATOM 0 HG SER A 1 7.839 -18.424 -5.559 1.00 24.40 H new ATOM 14 N LYS A 2 7.664 -18.743 -0.473 1.00 15.42 N ATOM 15 CA LYS A 2 6.965 -18.188 0.672 1.00 23.23 C ATOM 16 C LYS A 2 7.826 -17.887 1.887 1.00 72.24 C ATOM 17 O LYS A 2 7.568 -16.919 2.596 1.00 24.21 O ATOM 18 CB LYS A 2 5.762 -19.093 1.062 1.00 13.33 C ATOM 19 CG LYS A 2 6.111 -20.515 1.537 1.00 55.32 C ATOM 20 CD LYS A 2 4.864 -21.347 1.883 1.00 62.13 C ATOM 21 CE LYS A 2 5.209 -22.755 2.367 1.00 0.22 C ATOM 22 NZ LYS A 2 3.970 -23.492 2.679 1.00 53.25 N ATOM 0 H LYS A 2 7.352 -19.686 -0.704 1.00 15.42 H new ATOM 0 HA LYS A 2 6.615 -17.211 0.338 1.00 23.23 H new ATOM 0 HB2 LYS A 2 5.200 -18.595 1.852 1.00 13.33 H new ATOM 0 HB3 LYS A 2 5.099 -19.172 0.201 1.00 13.33 H new ATOM 0 HG2 LYS A 2 6.679 -21.025 0.759 1.00 55.32 H new ATOM 0 HG3 LYS A 2 6.756 -20.453 2.413 1.00 55.32 H new ATOM 0 HD2 LYS A 2 4.292 -20.832 2.655 1.00 62.13 H new ATOM 0 HD3 LYS A 2 4.223 -21.416 1.004 1.00 62.13 H new ATOM 0 HE2 LYS A 2 5.775 -23.285 1.601 1.00 0.22 H new ATOM 0 HE3 LYS A 2 5.843 -22.700 3.252 1.00 0.22 H new ATOM 0 HZ1 LYS A 2 4.209 -24.449 3.008 1.00 53.25 H new ATOM 0 HZ2 LYS A 2 3.446 -22.991 3.424 1.00 53.25 H new ATOM 0 HZ3 LYS A 2 3.380 -23.557 1.825 1.00 53.25 H new ATOM 36 N GLU A 3 8.890 -18.688 2.138 1.00 23.32 N ATOM 37 CA GLU A 3 9.865 -18.424 3.185 1.00 65.30 C ATOM 38 C GLU A 3 11.169 -17.912 2.619 1.00 72.42 C ATOM 39 O GLU A 3 12.201 -17.913 3.286 1.00 73.22 O ATOM 40 CB GLU A 3 10.137 -19.679 4.063 1.00 30.25 C ATOM 41 CG GLU A 3 8.896 -20.157 4.857 1.00 41.54 C ATOM 42 CD GLU A 3 9.195 -21.389 5.712 1.00 0.51 C ATOM 43 OE1 GLU A 3 9.541 -22.444 5.120 1.00 33.40 O ATOM 44 OE2 GLU A 3 9.065 -21.285 6.959 1.00 73.40 O ATOM 0 H GLU A 3 9.083 -19.537 1.607 1.00 23.32 H new ATOM 0 HA GLU A 3 9.427 -17.651 3.816 1.00 65.30 H new ATOM 0 HB2 GLU A 3 10.485 -20.491 3.425 1.00 30.25 H new ATOM 0 HB3 GLU A 3 10.943 -19.456 4.763 1.00 30.25 H new ATOM 0 HG2 GLU A 3 8.544 -19.349 5.498 1.00 41.54 H new ATOM 0 HG3 GLU A 3 8.089 -20.387 4.162 1.00 41.54 H new ATOM 51 N VAL A 4 11.140 -17.451 1.357 1.00 54.35 N ATOM 52 CA VAL A 4 12.327 -16.930 0.688 1.00 14.04 C ATOM 53 C VAL A 4 12.196 -15.436 0.573 1.00 10.22 C ATOM 54 O VAL A 4 13.054 -14.685 1.035 1.00 22.42 O ATOM 55 CB VAL A 4 12.527 -17.418 -0.745 1.00 44.44 C ATOM 56 CG1 VAL A 4 13.818 -16.839 -1.375 1.00 12.24 C ATOM 57 CG2 VAL A 4 12.527 -18.943 -0.828 1.00 71.33 C ATOM 0 H VAL A 4 10.297 -17.432 0.783 1.00 54.35 H new ATOM 0 HA VAL A 4 13.165 -17.275 1.294 1.00 14.04 H new ATOM 0 HB VAL A 4 11.678 -17.050 -1.322 1.00 44.44 H new ATOM 0 HG11 VAL A 4 13.924 -17.210 -2.394 1.00 12.24 H new ATOM 0 HG12 VAL A 4 13.759 -15.751 -1.390 1.00 12.24 H new ATOM 0 HG13 VAL A 4 14.681 -17.148 -0.785 1.00 12.24 H new ATOM 0 HG21 VAL A 4 12.672 -19.251 -1.863 1.00 71.33 H new ATOM 0 HG22 VAL A 4 13.335 -19.341 -0.215 1.00 71.33 H new ATOM 0 HG23 VAL A 4 11.574 -19.327 -0.465 1.00 71.33 H new ATOM 67 N MET A 5 11.115 -14.989 -0.120 1.00 13.20 N ATOM 68 CA MET A 5 11.094 -13.700 -0.774 1.00 50.43 C ATOM 69 C MET A 5 11.142 -12.532 0.197 1.00 35.34 C ATOM 70 O MET A 5 11.856 -11.552 -0.004 1.00 42.31 O ATOM 71 CB MET A 5 9.860 -13.540 -1.700 1.00 61.34 C ATOM 72 CG MET A 5 9.917 -14.438 -2.951 1.00 30.14 C ATOM 73 SD MET A 5 8.464 -14.260 -4.031 1.00 4.32 S ATOM 74 CE MET A 5 9.213 -15.110 -5.450 1.00 71.12 C ATOM 0 H MET A 5 10.253 -15.524 -0.227 1.00 13.20 H new ATOM 0 HA MET A 5 12.004 -13.676 -1.374 1.00 50.43 H new ATOM 0 HB2 MET A 5 8.958 -13.773 -1.135 1.00 61.34 H new ATOM 0 HB3 MET A 5 9.781 -12.499 -2.012 1.00 61.34 H new ATOM 0 HG2 MET A 5 10.816 -14.200 -3.520 1.00 30.14 H new ATOM 0 HG3 MET A 5 10.004 -15.479 -2.639 1.00 30.14 H new ATOM 0 HE1 MET A 5 8.501 -15.137 -6.275 1.00 71.12 H new ATOM 0 HE2 MET A 5 10.111 -14.576 -5.762 1.00 71.12 H new ATOM 0 HE3 MET A 5 9.477 -16.129 -5.166 1.00 71.12 H new ATOM 84 N LYS A 6 10.372 -12.651 1.295 1.00 44.22 N ATOM 85 CA LYS A 6 10.422 -11.773 2.434 1.00 72.22 C ATOM 86 C LYS A 6 10.461 -12.719 3.615 1.00 71.23 C ATOM 87 O LYS A 6 9.784 -13.745 3.597 1.00 23.40 O ATOM 88 CB LYS A 6 9.182 -10.846 2.496 1.00 61.43 C ATOM 89 CG LYS A 6 9.163 -9.834 3.659 1.00 52.30 C ATOM 90 CD LYS A 6 10.294 -8.789 3.591 1.00 43.11 C ATOM 91 CE LYS A 6 10.332 -7.816 4.774 1.00 73.25 C ATOM 92 NZ LYS A 6 9.129 -6.962 4.779 1.00 35.12 N ATOM 0 H LYS A 6 9.680 -13.394 1.397 1.00 44.22 H new ATOM 0 HA LYS A 6 11.278 -11.099 2.404 1.00 72.22 H new ATOM 0 HB2 LYS A 6 9.116 -10.295 1.558 1.00 61.43 H new ATOM 0 HB3 LYS A 6 8.289 -11.468 2.565 1.00 61.43 H new ATOM 0 HG2 LYS A 6 8.203 -9.317 3.664 1.00 52.30 H new ATOM 0 HG3 LYS A 6 9.238 -10.376 4.602 1.00 52.30 H new ATOM 0 HD2 LYS A 6 11.250 -9.310 3.534 1.00 43.11 H new ATOM 0 HD3 LYS A 6 10.188 -8.217 2.669 1.00 43.11 H new ATOM 0 HE2 LYS A 6 10.394 -8.373 5.709 1.00 73.25 H new ATOM 0 HE3 LYS A 6 11.226 -7.195 4.713 1.00 73.25 H new ATOM 0 HZ1 LYS A 6 9.195 -6.275 5.557 1.00 35.12 H new ATOM 0 HZ2 LYS A 6 9.059 -6.455 3.874 1.00 35.12 H new ATOM 0 HZ3 LYS A 6 8.284 -7.554 4.910 1.00 35.12 H new ATOM 106 N GLN A 7 11.300 -12.437 4.640 1.00 64.42 N ATOM 107 CA GLN A 7 11.569 -13.355 5.737 1.00 35.52 C ATOM 108 C GLN A 7 10.357 -13.674 6.601 1.00 3.20 C ATOM 109 O GLN A 7 10.132 -14.830 6.951 1.00 23.13 O ATOM 110 CB GLN A 7 12.722 -12.809 6.619 1.00 52.02 C ATOM 111 CG GLN A 7 14.097 -12.773 5.903 1.00 22.03 C ATOM 112 CD GLN A 7 14.621 -14.183 5.594 1.00 51.00 C ATOM 113 OE1 GLN A 7 15.148 -14.859 6.480 1.00 61.12 O ATOM 114 NE2 GLN A 7 14.485 -14.636 4.320 1.00 11.12 N ATOM 0 H GLN A 7 11.806 -11.555 4.715 1.00 64.42 H new ATOM 0 HA GLN A 7 11.858 -14.297 5.271 1.00 35.52 H new ATOM 0 HB2 GLN A 7 12.468 -11.801 6.949 1.00 52.02 H new ATOM 0 HB3 GLN A 7 12.805 -13.426 7.514 1.00 52.02 H new ATOM 0 HG2 GLN A 7 14.008 -12.208 4.975 1.00 22.03 H new ATOM 0 HG3 GLN A 7 14.818 -12.247 6.529 1.00 22.03 H new ATOM 0 HE21 GLN A 7 14.043 -14.047 3.614 1.00 11.12 H new ATOM 0 HE22 GLN A 7 14.825 -15.565 4.070 1.00 11.12 H new ATOM 123 N MET A 8 9.524 -12.665 6.942 1.00 1.41 N ATOM 124 CA MET A 8 8.218 -12.910 7.523 1.00 13.45 C ATOM 125 C MET A 8 7.172 -12.528 6.496 1.00 44.03 C ATOM 126 O MET A 8 7.136 -11.393 6.024 1.00 34.14 O ATOM 127 CB MET A 8 7.970 -12.095 8.818 1.00 5.04 C ATOM 128 CG MET A 8 8.932 -12.470 9.963 1.00 53.02 C ATOM 129 SD MET A 8 8.638 -11.563 11.514 1.00 4.43 S ATOM 130 CE MET A 8 7.128 -12.447 12.008 1.00 0.23 C ATOM 0 H MET A 8 9.749 -11.678 6.818 1.00 1.41 H new ATOM 0 HA MET A 8 8.162 -13.964 7.794 1.00 13.45 H new ATOM 0 HB2 MET A 8 8.074 -11.033 8.597 1.00 5.04 H new ATOM 0 HB3 MET A 8 6.943 -12.252 9.148 1.00 5.04 H new ATOM 0 HG2 MET A 8 8.846 -13.539 10.159 1.00 53.02 H new ATOM 0 HG3 MET A 8 9.956 -12.287 9.637 1.00 53.02 H new ATOM 0 HE1 MET A 8 6.914 -12.244 13.057 1.00 0.23 H new ATOM 0 HE2 MET A 8 6.292 -12.110 11.395 1.00 0.23 H new ATOM 0 HE3 MET A 8 7.271 -13.518 11.868 1.00 0.23 H new ATOM 140 N THR A 9 6.289 -13.483 6.121 1.00 42.15 N ATOM 141 CA THR A 9 5.197 -13.232 5.185 1.00 54.42 C ATOM 142 C THR A 9 4.051 -12.461 5.827 1.00 35.21 C ATOM 143 O THR A 9 3.485 -11.559 5.211 1.00 72.34 O ATOM 144 CB THR A 9 4.725 -14.525 4.492 1.00 5.43 C ATOM 145 OG1 THR A 9 3.779 -14.266 3.461 1.00 72.22 O ATOM 146 CG2 THR A 9 4.103 -15.540 5.472 1.00 2.04 C ATOM 0 H THR A 9 6.324 -14.443 6.465 1.00 42.15 H new ATOM 0 HA THR A 9 5.594 -12.587 4.401 1.00 54.42 H new ATOM 0 HB THR A 9 5.630 -14.956 4.064 1.00 5.43 H new ATOM 0 HG1 THR A 9 3.507 -15.111 3.047 1.00 72.22 H new ATOM 0 HG21 THR A 9 3.790 -16.429 4.925 1.00 2.04 H new ATOM 0 HG22 THR A 9 4.841 -15.818 6.225 1.00 2.04 H new ATOM 0 HG23 THR A 9 3.238 -15.091 5.960 1.00 2.04 H new ATOM 154 N ILE A 10 3.704 -12.772 7.100 1.00 71.24 N ATOM 155 CA ILE A 10 2.671 -12.086 7.854 1.00 50.21 C ATOM 156 C ILE A 10 3.206 -11.733 9.229 1.00 43.33 C ATOM 157 O ILE A 10 4.093 -12.402 9.760 1.00 24.31 O ATOM 158 CB ILE A 10 1.365 -12.880 7.958 1.00 71.05 C ATOM 159 CG1 ILE A 10 1.531 -14.261 8.645 1.00 32.21 C ATOM 160 CG2 ILE A 10 0.723 -12.983 6.555 1.00 44.34 C ATOM 161 CD1 ILE A 10 0.202 -14.994 8.862 1.00 31.30 C ATOM 0 H ILE A 10 4.153 -13.523 7.625 1.00 71.24 H new ATOM 0 HA ILE A 10 2.417 -11.177 7.309 1.00 50.21 H new ATOM 0 HB ILE A 10 0.690 -12.336 8.618 1.00 71.05 H new ATOM 0 HG12 ILE A 10 2.187 -14.885 8.038 1.00 32.21 H new ATOM 0 HG13 ILE A 10 2.023 -14.123 9.608 1.00 32.21 H new ATOM 0 HG21 ILE A 10 -0.207 -13.547 6.621 1.00 44.34 H new ATOM 0 HG22 ILE A 10 0.515 -11.983 6.176 1.00 44.34 H new ATOM 0 HG23 ILE A 10 1.409 -13.492 5.878 1.00 44.34 H new ATOM 0 HD11 ILE A 10 0.390 -15.952 9.346 1.00 31.30 H new ATOM 0 HD12 ILE A 10 -0.448 -14.389 9.494 1.00 31.30 H new ATOM 0 HD13 ILE A 10 -0.282 -15.162 7.900 1.00 31.30 H new ATOM 173 N ASN A 11 2.692 -10.633 9.822 1.00 53.23 N ATOM 174 CA ASN A 11 3.083 -10.137 11.123 1.00 20.23 C ATOM 175 C ASN A 11 1.963 -9.184 11.531 1.00 73.24 C ATOM 176 O ASN A 11 1.063 -8.917 10.736 1.00 54.14 O ATOM 177 CB ASN A 11 4.478 -9.428 11.072 1.00 22.03 C ATOM 178 CG ASN A 11 5.125 -9.248 12.451 1.00 63.31 C ATOM 179 OD1 ASN A 11 4.504 -9.474 13.493 1.00 25.22 O ATOM 180 ND2 ASN A 11 6.405 -8.796 12.457 1.00 45.10 N ATOM 0 H ASN A 11 1.973 -10.061 9.379 1.00 53.23 H new ATOM 0 HA ASN A 11 3.207 -10.940 11.850 1.00 20.23 H new ATOM 0 HB2 ASN A 11 5.148 -10.008 10.438 1.00 22.03 H new ATOM 0 HB3 ASN A 11 4.363 -8.451 10.603 1.00 22.03 H new ATOM 0 HD21 ASN A 11 6.884 -8.633 13.343 1.00 45.10 H new ATOM 0 HD22 ASN A 11 6.888 -8.620 11.576 1.00 45.10 H new ATOM 187 N PHE A 12 2.017 -8.631 12.766 1.00 14.05 N ATOM 188 CA PHE A 12 1.054 -7.721 13.377 1.00 10.04 C ATOM 189 C PHE A 12 0.893 -6.436 12.565 1.00 71.21 C ATOM 190 O PHE A 12 -0.203 -5.906 12.407 1.00 33.40 O ATOM 191 CB PHE A 12 1.486 -7.407 14.843 1.00 63.50 C ATOM 192 CG PHE A 12 0.505 -6.517 15.574 1.00 14.32 C ATOM 193 CD1 PHE A 12 -0.658 -7.064 16.144 1.00 31.34 C ATOM 194 CD2 PHE A 12 0.722 -5.131 15.675 1.00 13.52 C ATOM 195 CE1 PHE A 12 -1.587 -6.244 16.799 1.00 31.42 C ATOM 196 CE2 PHE A 12 -0.206 -4.307 16.325 1.00 63.20 C ATOM 197 CZ PHE A 12 -1.361 -4.865 16.888 1.00 1.10 C ATOM 0 H PHE A 12 2.794 -8.831 13.395 1.00 14.05 H new ATOM 0 HA PHE A 12 0.080 -8.211 13.389 1.00 10.04 H new ATOM 0 HB2 PHE A 12 1.596 -8.343 15.391 1.00 63.50 H new ATOM 0 HB3 PHE A 12 2.464 -6.927 14.832 1.00 63.50 H new ATOM 0 HD1 PHE A 12 -0.837 -8.127 16.076 1.00 31.34 H new ATOM 0 HD2 PHE A 12 1.614 -4.697 15.247 1.00 13.52 H new ATOM 0 HE1 PHE A 12 -2.476 -6.675 17.235 1.00 31.42 H new ATOM 0 HE2 PHE A 12 -0.031 -3.243 16.392 1.00 63.20 H new ATOM 0 HZ PHE A 12 -2.077 -4.232 17.391 1.00 1.10 H new ATOM 207 N ALA A 13 2.010 -5.895 12.042 1.00 41.44 N ATOM 208 CA ALA A 13 2.041 -4.711 11.213 1.00 35.43 C ATOM 209 C ALA A 13 1.344 -4.797 9.865 1.00 21.15 C ATOM 210 O ALA A 13 0.885 -3.776 9.358 1.00 44.30 O ATOM 211 CB ALA A 13 3.494 -4.297 10.973 1.00 61.11 C ATOM 0 H ALA A 13 2.935 -6.294 12.199 1.00 41.44 H new ATOM 0 HA ALA A 13 1.471 -3.977 11.783 1.00 35.43 H new ATOM 0 HB1 ALA A 13 3.519 -3.404 10.348 1.00 61.11 H new ATOM 0 HB2 ALA A 13 3.974 -4.085 11.928 1.00 61.11 H new ATOM 0 HB3 ALA A 13 4.025 -5.106 10.472 1.00 61.11 H new ATOM 217 N LYS A 14 1.243 -5.992 9.233 1.00 2.31 N ATOM 218 CA LYS A 14 0.651 -6.138 7.912 1.00 1.10 C ATOM 219 C LYS A 14 -0.817 -5.728 7.834 1.00 52.51 C ATOM 220 O LYS A 14 -1.126 -4.960 6.920 1.00 50.13 O ATOM 221 CB LYS A 14 0.825 -7.578 7.343 1.00 63.52 C ATOM 222 CG LYS A 14 2.222 -7.903 6.764 1.00 54.13 C ATOM 223 CD LYS A 14 3.411 -7.767 7.732 1.00 12.41 C ATOM 224 CE LYS A 14 4.674 -8.517 7.299 1.00 43.21 C ATOM 225 NZ LYS A 14 5.135 -8.048 5.980 1.00 0.42 N ATOM 0 H LYS A 14 1.573 -6.869 9.636 1.00 2.31 H new ATOM 0 HA LYS A 14 1.210 -5.438 7.292 1.00 1.10 H new ATOM 0 HB2 LYS A 14 0.605 -8.292 8.137 1.00 63.52 H new ATOM 0 HB3 LYS A 14 0.082 -7.732 6.560 1.00 63.52 H new ATOM 0 HG2 LYS A 14 2.205 -8.925 6.384 1.00 54.13 H new ATOM 0 HG3 LYS A 14 2.399 -7.248 5.911 1.00 54.13 H new ATOM 0 HD2 LYS A 14 3.652 -6.710 7.844 1.00 12.41 H new ATOM 0 HD3 LYS A 14 3.107 -8.130 8.714 1.00 12.41 H new ATOM 0 HE2 LYS A 14 5.461 -8.369 8.038 1.00 43.21 H new ATOM 0 HE3 LYS A 14 4.471 -9.587 7.259 1.00 43.21 H new ATOM 0 HZ1 LYS A 14 6.037 -8.508 5.744 1.00 0.42 H new ATOM 0 HZ2 LYS A 14 4.425 -8.288 5.259 1.00 0.42 H new ATOM 0 HZ3 LYS A 14 5.268 -7.017 6.005 1.00 0.42 H new ATOM 239 N PRO A 15 -1.764 -6.093 8.710 1.00 73.13 N ATOM 240 CA PRO A 15 -3.069 -5.450 8.725 1.00 22.20 C ATOM 241 C PRO A 15 -3.022 -4.008 9.188 1.00 40.34 C ATOM 242 O PRO A 15 -3.887 -3.235 8.783 1.00 60.41 O ATOM 243 CB PRO A 15 -3.900 -6.315 9.680 1.00 4.14 C ATOM 244 CG PRO A 15 -2.890 -6.972 10.619 1.00 70.34 C ATOM 245 CD PRO A 15 -1.639 -7.121 9.750 1.00 41.44 C ATOM 0 HA PRO A 15 -3.491 -5.390 7.722 1.00 22.20 H new ATOM 0 HB2 PRO A 15 -4.616 -5.709 10.236 1.00 4.14 H new ATOM 0 HB3 PRO A 15 -4.473 -7.064 9.133 1.00 4.14 H new ATOM 0 HG2 PRO A 15 -2.698 -6.355 11.497 1.00 70.34 H new ATOM 0 HG3 PRO A 15 -3.246 -7.937 10.979 1.00 70.34 H new ATOM 0 HD2 PRO A 15 -0.732 -6.977 10.338 1.00 41.44 H new ATOM 0 HD3 PRO A 15 -1.581 -8.118 9.313 1.00 41.44 H new ATOM 253 N MET A 16 -2.047 -3.608 10.038 1.00 4.14 N ATOM 254 CA MET A 16 -2.019 -2.276 10.613 1.00 25.44 C ATOM 255 C MET A 16 -1.691 -1.216 9.560 1.00 42.52 C ATOM 256 O MET A 16 -2.336 -0.170 9.479 1.00 73.22 O ATOM 257 CB MET A 16 -1.013 -2.246 11.788 1.00 63.33 C ATOM 258 CG MET A 16 -1.058 -0.972 12.650 1.00 34.34 C ATOM 259 SD MET A 16 0.235 -0.950 13.932 1.00 35.40 S ATOM 260 CE MET A 16 -0.513 0.331 14.976 1.00 4.12 C ATOM 0 H MET A 16 -1.273 -4.205 10.331 1.00 4.14 H new ATOM 0 HA MET A 16 -3.011 -2.035 10.995 1.00 25.44 H new ATOM 0 HB2 MET A 16 -1.200 -3.107 12.429 1.00 63.33 H new ATOM 0 HB3 MET A 16 -0.006 -2.360 11.387 1.00 63.33 H new ATOM 0 HG2 MET A 16 -0.943 -0.099 12.008 1.00 34.34 H new ATOM 0 HG3 MET A 16 -2.036 -0.893 13.124 1.00 34.34 H new ATOM 0 HE1 MET A 16 0.250 0.764 15.623 1.00 4.12 H new ATOM 0 HE2 MET A 16 -0.940 1.111 14.345 1.00 4.12 H new ATOM 0 HE3 MET A 16 -1.299 -0.111 15.588 1.00 4.12 H new ATOM 270 N GLU A 17 -0.686 -1.496 8.690 1.00 63.10 N ATOM 271 CA GLU A 17 -0.286 -0.634 7.588 1.00 64.14 C ATOM 272 C GLU A 17 -1.300 -0.641 6.462 1.00 73.15 C ATOM 273 O GLU A 17 -1.492 0.352 5.759 1.00 5.31 O ATOM 274 CB GLU A 17 1.118 -1.009 7.029 1.00 65.24 C ATOM 275 CG GLU A 17 1.239 -2.389 6.330 1.00 70.33 C ATOM 276 CD GLU A 17 2.672 -2.698 5.891 1.00 25.33 C ATOM 277 OE1 GLU A 17 3.211 -1.926 5.057 1.00 65.42 O ATOM 278 OE2 GLU A 17 3.228 -3.718 6.377 1.00 54.34 O ATOM 0 H GLU A 17 -0.130 -2.349 8.751 1.00 63.10 H new ATOM 0 HA GLU A 17 -0.235 0.373 8.002 1.00 64.14 H new ATOM 0 HB2 GLU A 17 1.419 -0.239 6.318 1.00 65.24 H new ATOM 0 HB3 GLU A 17 1.832 -0.980 7.852 1.00 65.24 H new ATOM 0 HG2 GLU A 17 0.894 -3.169 7.009 1.00 70.33 H new ATOM 0 HG3 GLU A 17 0.583 -2.411 5.460 1.00 70.33 H new ATOM 285 N ALA A 18 -1.995 -1.784 6.274 1.00 41.21 N ATOM 286 CA ALA A 18 -3.084 -1.929 5.339 1.00 3.11 C ATOM 287 C ALA A 18 -4.263 -1.050 5.674 1.00 55.43 C ATOM 288 O ALA A 18 -4.824 -0.423 4.785 1.00 23.44 O ATOM 289 CB ALA A 18 -3.587 -3.372 5.257 1.00 14.30 C ATOM 0 H ALA A 18 -1.794 -2.640 6.790 1.00 41.21 H new ATOM 0 HA ALA A 18 -2.666 -1.624 4.380 1.00 3.11 H new ATOM 0 HB1 ALA A 18 -4.407 -3.432 4.541 1.00 14.30 H new ATOM 0 HB2 ALA A 18 -2.775 -4.023 4.934 1.00 14.30 H new ATOM 0 HB3 ALA A 18 -3.939 -3.691 6.238 1.00 14.30 H new ATOM 295 N CYS A 19 -4.649 -0.936 6.966 1.00 53.20 N ATOM 296 CA CYS A 19 -5.719 -0.045 7.389 1.00 31.51 C ATOM 297 C CYS A 19 -5.378 1.386 7.042 1.00 41.43 C ATOM 298 O CYS A 19 -6.186 2.068 6.431 1.00 40.53 O ATOM 299 CB CYS A 19 -5.968 -0.172 8.907 1.00 63.30 C ATOM 300 SG CYS A 19 -6.702 -1.789 9.277 1.00 42.11 S ATOM 0 H CYS A 19 -4.222 -1.461 7.729 1.00 53.20 H new ATOM 0 HA CYS A 19 -6.629 -0.332 6.862 1.00 31.51 H new ATOM 0 HB2 CYS A 19 -5.030 -0.056 9.450 1.00 63.30 H new ATOM 0 HB3 CYS A 19 -6.632 0.624 9.244 1.00 63.30 H new ATOM 305 N LYS A 20 -4.142 1.868 7.282 1.00 74.13 N ATOM 306 CA LYS A 20 -3.827 3.274 7.073 1.00 52.12 C ATOM 307 C LYS A 20 -4.057 3.708 5.627 1.00 10.20 C ATOM 308 O LYS A 20 -4.662 4.746 5.355 1.00 72.51 O ATOM 309 CB LYS A 20 -2.368 3.535 7.528 1.00 25.11 C ATOM 310 CG LYS A 20 -1.891 5.003 7.511 1.00 42.43 C ATOM 311 CD LYS A 20 -1.339 5.539 6.180 1.00 72.23 C ATOM 312 CE LYS A 20 0.103 5.121 5.896 1.00 2.45 C ATOM 313 NZ LYS A 20 0.533 5.669 4.594 1.00 3.44 N ATOM 0 H LYS A 20 -3.362 1.303 7.617 1.00 74.13 H new ATOM 0 HA LYS A 20 -4.505 3.880 7.675 1.00 52.12 H new ATOM 0 HB2 LYS A 20 -2.253 3.151 8.542 1.00 25.11 H new ATOM 0 HB3 LYS A 20 -1.703 2.953 6.890 1.00 25.11 H new ATOM 0 HG2 LYS A 20 -2.727 5.635 7.811 1.00 42.43 H new ATOM 0 HG3 LYS A 20 -1.117 5.117 8.270 1.00 42.43 H new ATOM 0 HD2 LYS A 20 -1.975 5.190 5.367 1.00 72.23 H new ATOM 0 HD3 LYS A 20 -1.397 6.627 6.185 1.00 72.23 H new ATOM 0 HE2 LYS A 20 0.759 5.482 6.688 1.00 2.45 H new ATOM 0 HE3 LYS A 20 0.182 4.034 5.888 1.00 2.45 H new ATOM 0 HZ1 LYS A 20 1.515 5.383 4.404 1.00 3.44 H new ATOM 0 HZ2 LYS A 20 -0.086 5.304 3.842 1.00 3.44 H new ATOM 0 HZ3 LYS A 20 0.474 6.707 4.618 1.00 3.44 H new ATOM 327 N GLN A 21 -3.633 2.875 4.652 1.00 10.30 N ATOM 328 CA GLN A 21 -3.894 3.152 3.254 1.00 52.44 C ATOM 329 C GLN A 21 -5.306 2.847 2.798 1.00 14.14 C ATOM 330 O GLN A 21 -5.902 3.625 2.058 1.00 33.40 O ATOM 331 CB GLN A 21 -2.915 2.391 2.352 1.00 13.51 C ATOM 332 CG GLN A 21 -3.025 0.861 2.450 1.00 23.42 C ATOM 333 CD GLN A 21 -1.792 0.138 1.941 1.00 54.01 C ATOM 334 OE1 GLN A 21 -1.596 -0.114 0.752 1.00 72.44 O ATOM 335 NE2 GLN A 21 -0.961 -0.281 2.929 1.00 64.44 N ATOM 0 H GLN A 21 -3.113 2.014 4.823 1.00 10.30 H new ATOM 0 HA GLN A 21 -3.756 4.229 3.162 1.00 52.44 H new ATOM 0 HB2 GLN A 21 -3.084 2.690 1.318 1.00 13.51 H new ATOM 0 HB3 GLN A 21 -1.898 2.688 2.607 1.00 13.51 H new ATOM 0 HG2 GLN A 21 -3.199 0.582 3.489 1.00 23.42 H new ATOM 0 HG3 GLN A 21 -3.893 0.529 1.881 1.00 23.42 H new ATOM 0 HE21 GLN A 21 -1.165 -0.047 3.901 1.00 64.44 H new ATOM 0 HE22 GLN A 21 -0.132 -0.830 2.700 1.00 64.44 H new ATOM 344 N GLU A 22 -5.883 1.713 3.263 1.00 55.13 N ATOM 345 CA GLU A 22 -7.224 1.242 2.909 1.00 75.02 C ATOM 346 C GLU A 22 -8.267 2.226 3.314 1.00 44.20 C ATOM 347 O GLU A 22 -9.240 2.476 2.606 1.00 24.20 O ATOM 348 CB GLU A 22 -7.570 -0.130 3.541 1.00 40.34 C ATOM 349 CG GLU A 22 -8.926 -0.704 3.047 1.00 72.13 C ATOM 350 CD GLU A 22 -9.172 -2.156 3.447 1.00 52.20 C ATOM 351 OE1 GLU A 22 -8.321 -3.006 3.076 1.00 30.33 O ATOM 352 OE2 GLU A 22 -10.211 -2.423 4.104 1.00 5.53 O ATOM 0 H GLU A 22 -5.406 1.089 3.914 1.00 55.13 H new ATOM 0 HA GLU A 22 -7.215 1.128 1.825 1.00 75.02 H new ATOM 0 HB2 GLU A 22 -6.776 -0.840 3.310 1.00 40.34 H new ATOM 0 HB3 GLU A 22 -7.600 -0.027 4.626 1.00 40.34 H new ATOM 0 HG2 GLU A 22 -9.734 -0.088 3.442 1.00 72.13 H new ATOM 0 HG3 GLU A 22 -8.967 -0.626 1.961 1.00 72.13 H new ATOM 359 N LEU A 23 -8.055 2.820 4.494 1.00 75.04 N ATOM 360 CA LEU A 23 -9.009 3.753 5.040 1.00 64.34 C ATOM 361 C LEU A 23 -8.787 5.145 4.456 1.00 34.11 C ATOM 362 O LEU A 23 -9.605 6.040 4.653 1.00 42.41 O ATOM 363 CB LEU A 23 -8.887 3.848 6.566 1.00 22.40 C ATOM 364 CG LEU A 23 -9.047 2.528 7.354 1.00 11.12 C ATOM 365 CD1 LEU A 23 -9.447 2.818 8.787 1.00 64.42 C ATOM 366 CD2 LEU A 23 -9.715 1.307 6.721 1.00 74.32 C ATOM 0 H LEU A 23 -7.232 2.663 5.076 1.00 75.04 H new ATOM 0 HA LEU A 23 -10.002 3.387 4.779 1.00 64.34 H new ATOM 0 HB2 LEU A 23 -7.911 4.272 6.805 1.00 22.40 H new ATOM 0 HB3 LEU A 23 -9.637 4.553 6.925 1.00 22.40 H new ATOM 0 HG LEU A 23 -8.040 2.112 7.318 1.00 11.12 H new ATOM 0 HD11 LEU A 23 -9.556 1.880 9.331 1.00 64.42 H new ATOM 0 HD12 LEU A 23 -8.678 3.426 9.263 1.00 64.42 H new ATOM 0 HD13 LEU A 23 -10.395 3.357 8.798 1.00 64.42 H new ATOM 0 HD21 LEU A 23 -9.728 0.486 7.438 1.00 74.32 H new ATOM 0 HD22 LEU A 23 -10.737 1.557 6.438 1.00 74.32 H new ATOM 0 HD23 LEU A 23 -9.157 1.006 5.835 1.00 74.32 H new ATOM 378 N ASN A 24 -7.664 5.329 3.712 1.00 20.30 N ATOM 379 CA ASN A 24 -7.199 6.564 3.100 1.00 50.52 C ATOM 380 C ASN A 24 -6.976 7.685 4.113 1.00 61.42 C ATOM 381 O ASN A 24 -7.414 8.821 3.945 1.00 62.54 O ATOM 382 CB ASN A 24 -8.170 6.968 1.948 1.00 40.44 C ATOM 383 CG ASN A 24 -7.608 8.005 0.971 1.00 24.02 C ATOM 384 OD1 ASN A 24 -8.216 9.043 0.706 1.00 15.41 O ATOM 385 ND2 ASN A 24 -6.428 7.690 0.372 1.00 53.40 N ATOM 0 H ASN A 24 -7.029 4.554 3.522 1.00 20.30 H new ATOM 0 HA ASN A 24 -6.213 6.386 2.672 1.00 50.52 H new ATOM 0 HB2 ASN A 24 -8.442 6.072 1.389 1.00 40.44 H new ATOM 0 HB3 ASN A 24 -9.088 7.361 2.386 1.00 40.44 H new ATOM 0 HD21 ASN A 24 -6.022 8.321 -0.319 1.00 53.40 H new ATOM 0 HD22 ASN A 24 -5.949 6.822 0.614 1.00 53.40 H new ATOM 392 N VAL A 25 -6.262 7.357 5.207 1.00 61.13 N ATOM 393 CA VAL A 25 -6.028 8.240 6.336 1.00 41.31 C ATOM 394 C VAL A 25 -4.534 8.469 6.491 1.00 22.01 C ATOM 395 O VAL A 25 -3.740 7.683 5.975 1.00 4.32 O ATOM 396 CB VAL A 25 -6.637 7.706 7.635 1.00 74.52 C ATOM 397 CG1 VAL A 25 -8.171 7.648 7.499 1.00 51.51 C ATOM 398 CG2 VAL A 25 -6.065 6.319 7.990 1.00 44.44 C ATOM 0 H VAL A 25 -5.825 6.442 5.320 1.00 61.13 H new ATOM 0 HA VAL A 25 -6.527 9.188 6.132 1.00 41.31 H new ATOM 0 HB VAL A 25 -6.376 8.383 8.448 1.00 74.52 H new ATOM 0 HG11 VAL A 25 -8.604 7.268 8.424 1.00 51.51 H new ATOM 0 HG12 VAL A 25 -8.557 8.648 7.302 1.00 51.51 H new ATOM 0 HG13 VAL A 25 -8.438 6.987 6.675 1.00 51.51 H new ATOM 0 HG21 VAL A 25 -6.516 5.966 8.917 1.00 44.44 H new ATOM 0 HG22 VAL A 25 -6.289 5.617 7.187 1.00 44.44 H new ATOM 0 HG23 VAL A 25 -4.985 6.393 8.117 1.00 44.44 H new ATOM 408 N PRO A 26 -4.066 9.532 7.140 1.00 24.22 N ATOM 409 CA PRO A 26 -2.646 9.746 7.373 1.00 55.42 C ATOM 410 C PRO A 26 -2.065 8.838 8.444 1.00 3.13 C ATOM 411 O PRO A 26 -2.779 8.220 9.233 1.00 71.34 O ATOM 412 CB PRO A 26 -2.572 11.227 7.791 1.00 63.22 C ATOM 413 CG PRO A 26 -3.922 11.493 8.452 1.00 22.24 C ATOM 414 CD PRO A 26 -4.873 10.671 7.588 1.00 23.22 C ATOM 0 HA PRO A 26 -2.054 9.511 6.488 1.00 55.42 H new ATOM 0 HB2 PRO A 26 -1.748 11.406 8.481 1.00 63.22 H new ATOM 0 HB3 PRO A 26 -2.414 11.877 6.930 1.00 63.22 H new ATOM 0 HG2 PRO A 26 -3.936 11.170 9.493 1.00 22.24 H new ATOM 0 HG3 PRO A 26 -4.177 12.553 8.443 1.00 22.24 H new ATOM 0 HD2 PRO A 26 -5.743 10.342 8.157 1.00 23.22 H new ATOM 0 HD3 PRO A 26 -5.245 11.251 6.744 1.00 23.22 H new ATOM 422 N ASP A 27 -0.715 8.800 8.496 1.00 32.44 N ATOM 423 CA ASP A 27 0.127 8.035 9.398 1.00 3.02 C ATOM 424 C ASP A 27 -0.115 8.485 10.832 1.00 31.01 C ATOM 425 O ASP A 27 -0.035 7.707 11.779 1.00 12.25 O ATOM 426 CB ASP A 27 1.614 8.208 8.973 1.00 5.44 C ATOM 427 CG ASP A 27 2.570 7.300 9.747 1.00 2.34 C ATOM 428 OD1 ASP A 27 3.443 7.853 10.465 1.00 22.12 O ATOM 429 OD2 ASP A 27 2.442 6.058 9.606 1.00 65.04 O ATOM 0 H ASP A 27 -0.155 9.355 7.848 1.00 32.44 H new ATOM 0 HA ASP A 27 -0.119 6.975 9.344 1.00 3.02 H new ATOM 0 HB2 ASP A 27 1.707 7.999 7.907 1.00 5.44 H new ATOM 0 HB3 ASP A 27 1.909 9.247 9.121 1.00 5.44 H new ATOM 434 N ALA A 28 -0.480 9.775 10.971 1.00 33.00 N ATOM 435 CA ALA A 28 -0.837 10.468 12.180 1.00 14.21 C ATOM 436 C ALA A 28 -1.985 9.822 12.928 1.00 34.14 C ATOM 437 O ALA A 28 -2.052 9.889 14.153 1.00 41.42 O ATOM 438 CB ALA A 28 -1.231 11.911 11.835 1.00 61.02 C ATOM 0 H ALA A 28 -0.530 10.392 10.160 1.00 33.00 H new ATOM 0 HA ALA A 28 0.036 10.432 12.831 1.00 14.21 H new ATOM 0 HB1 ALA A 28 -1.503 12.442 12.747 1.00 61.02 H new ATOM 0 HB2 ALA A 28 -0.389 12.414 11.359 1.00 61.02 H new ATOM 0 HB3 ALA A 28 -2.081 11.903 11.153 1.00 61.02 H new ATOM 444 N VAL A 29 -2.940 9.185 12.222 1.00 72.31 N ATOM 445 CA VAL A 29 -4.111 8.701 12.925 1.00 64.44 C ATOM 446 C VAL A 29 -4.052 7.206 13.167 1.00 20.44 C ATOM 447 O VAL A 29 -4.631 6.719 14.135 1.00 40.45 O ATOM 448 CB VAL A 29 -5.388 9.079 12.227 1.00 25.42 C ATOM 449 CG1 VAL A 29 -5.414 10.584 11.875 1.00 20.41 C ATOM 450 CG2 VAL A 29 -5.785 8.136 11.093 1.00 73.03 C ATOM 0 H VAL A 29 -2.917 9.007 11.218 1.00 72.31 H new ATOM 0 HA VAL A 29 -4.108 9.194 13.897 1.00 64.44 H new ATOM 0 HB VAL A 29 -6.197 8.931 12.942 1.00 25.42 H new ATOM 0 HG11 VAL A 29 -6.351 10.824 11.372 1.00 20.41 H new ATOM 0 HG12 VAL A 29 -5.332 11.173 12.789 1.00 20.41 H new ATOM 0 HG13 VAL A 29 -4.578 10.818 11.216 1.00 20.41 H new ATOM 0 HG21 VAL A 29 -6.716 8.480 10.643 1.00 73.03 H new ATOM 0 HG22 VAL A 29 -4.999 8.125 10.337 1.00 73.03 H new ATOM 0 HG23 VAL A 29 -5.923 7.130 11.488 1.00 73.03 H new ATOM 460 N MET A 30 -3.296 6.423 12.357 1.00 5.45 N ATOM 461 CA MET A 30 -2.988 5.043 12.730 1.00 5.44 C ATOM 462 C MET A 30 -2.107 4.984 13.958 1.00 22.00 C ATOM 463 O MET A 30 -2.230 4.077 14.781 1.00 63.32 O ATOM 464 CB MET A 30 -2.332 4.174 11.613 1.00 74.22 C ATOM 465 CG MET A 30 -0.935 4.603 11.113 1.00 55.31 C ATOM 466 SD MET A 30 0.002 3.291 10.265 1.00 53.22 S ATOM 467 CE MET A 30 0.588 2.478 11.779 1.00 21.44 C ATOM 0 H MET A 30 -2.903 6.725 11.466 1.00 5.45 H new ATOM 0 HA MET A 30 -3.970 4.612 12.927 1.00 5.44 H new ATOM 0 HB2 MET A 30 -2.259 3.150 11.980 1.00 74.22 H new ATOM 0 HB3 MET A 30 -3.007 4.158 10.757 1.00 74.22 H new ATOM 0 HG2 MET A 30 -1.050 5.447 10.433 1.00 55.31 H new ATOM 0 HG3 MET A 30 -0.352 4.956 11.963 1.00 55.31 H new ATOM 0 HE1 MET A 30 1.246 1.650 11.516 1.00 21.44 H new ATOM 0 HE2 MET A 30 1.135 3.197 12.390 1.00 21.44 H new ATOM 0 HE3 MET A 30 -0.265 2.099 12.342 1.00 21.44 H new ATOM 477 N GLN A 31 -1.223 5.996 14.144 1.00 44.52 N ATOM 478 CA GLN A 31 -0.363 6.050 15.299 1.00 1.31 C ATOM 479 C GLN A 31 -1.099 6.423 16.564 1.00 72.22 C ATOM 480 O GLN A 31 -0.704 6.058 17.667 1.00 63.01 O ATOM 481 CB GLN A 31 0.913 6.906 15.043 1.00 14.33 C ATOM 482 CG GLN A 31 0.814 8.424 14.829 1.00 74.00 C ATOM 483 CD GLN A 31 0.773 9.204 16.137 1.00 14.20 C ATOM 484 OE1 GLN A 31 1.738 9.259 16.901 1.00 12.24 O ATOM 485 NE2 GLN A 31 -0.406 9.820 16.386 1.00 21.15 N ATOM 0 H GLN A 31 -1.105 6.774 13.495 1.00 44.52 H new ATOM 0 HA GLN A 31 -0.008 5.034 15.471 1.00 1.31 H new ATOM 0 HB2 GLN A 31 1.581 6.745 15.889 1.00 14.33 H new ATOM 0 HB3 GLN A 31 1.406 6.491 14.164 1.00 14.33 H new ATOM 0 HG2 GLN A 31 1.666 8.759 14.238 1.00 74.00 H new ATOM 0 HG3 GLN A 31 -0.082 8.647 14.250 1.00 74.00 H new ATOM 0 HE21 GLN A 31 -1.173 9.742 15.719 1.00 21.15 H new ATOM 0 HE22 GLN A 31 -0.527 10.363 17.241 1.00 21.15 H new ATOM 494 N ASP A 32 -2.269 7.077 16.424 1.00 4.00 N ATOM 495 CA ASP A 32 -3.157 7.392 17.527 1.00 74.24 C ATOM 496 C ASP A 32 -3.665 6.148 18.245 1.00 33.05 C ATOM 497 O ASP A 32 -3.790 6.140 19.465 1.00 2.11 O ATOM 498 CB ASP A 32 -4.398 8.206 17.070 1.00 52.45 C ATOM 499 CG ASP A 32 -4.162 9.675 16.746 1.00 23.12 C ATOM 500 OD1 ASP A 32 -3.150 10.252 17.215 1.00 41.10 O ATOM 501 OD2 ASP A 32 -5.059 10.247 16.065 1.00 43.02 O ATOM 0 H ASP A 32 -2.616 7.400 15.521 1.00 4.00 H new ATOM 0 HA ASP A 32 -2.549 7.987 18.208 1.00 74.24 H new ATOM 0 HB2 ASP A 32 -4.816 7.724 16.186 1.00 52.45 H new ATOM 0 HB3 ASP A 32 -5.153 8.146 17.853 1.00 52.45 H new ATOM 506 N PHE A 33 -3.959 5.064 17.501 1.00 13.33 N ATOM 507 CA PHE A 33 -4.344 3.782 18.075 1.00 64.21 C ATOM 508 C PHE A 33 -3.294 3.158 18.969 1.00 33.35 C ATOM 509 O PHE A 33 -3.611 2.652 20.037 1.00 40.50 O ATOM 510 CB PHE A 33 -4.822 2.836 16.940 1.00 23.02 C ATOM 511 CG PHE A 33 -4.952 1.365 17.266 1.00 24.43 C ATOM 512 CD1 PHE A 33 -4.204 0.445 16.509 1.00 45.14 C ATOM 513 CD2 PHE A 33 -5.702 0.889 18.352 1.00 1.51 C ATOM 514 CE1 PHE A 33 -4.228 -0.922 16.807 1.00 73.20 C ATOM 515 CE2 PHE A 33 -5.763 -0.484 18.627 1.00 44.11 C ATOM 516 CZ PHE A 33 -5.023 -1.390 17.859 1.00 22.13 C ATOM 0 H PHE A 33 -3.933 5.064 16.481 1.00 13.33 H new ATOM 0 HA PHE A 33 -5.175 3.962 18.758 1.00 64.21 H new ATOM 0 HB2 PHE A 33 -5.792 3.191 16.593 1.00 23.02 H new ATOM 0 HB3 PHE A 33 -4.129 2.936 16.105 1.00 23.02 H new ATOM 0 HD1 PHE A 33 -3.602 0.799 15.685 1.00 45.14 H new ATOM 0 HD2 PHE A 33 -6.236 1.586 18.981 1.00 1.51 H new ATOM 0 HE1 PHE A 33 -3.635 -1.613 16.227 1.00 73.20 H new ATOM 0 HE2 PHE A 33 -6.383 -0.844 19.434 1.00 44.11 H new ATOM 0 HZ PHE A 33 -5.065 -2.447 18.078 1.00 22.13 H new ATOM 526 N PHE A 34 -2.010 3.157 18.593 1.00 32.22 N ATOM 527 CA PHE A 34 -1.016 2.643 19.518 1.00 14.14 C ATOM 528 C PHE A 34 -0.711 3.511 20.727 1.00 23.01 C ATOM 529 O PHE A 34 -0.504 3.019 21.835 1.00 44.13 O ATOM 530 CB PHE A 34 0.277 2.255 18.799 1.00 21.53 C ATOM 531 CG PHE A 34 1.193 3.272 18.203 1.00 51.31 C ATOM 532 CD1 PHE A 34 2.233 3.784 18.993 1.00 72.22 C ATOM 533 CD2 PHE A 34 1.200 3.499 16.822 1.00 55.24 C ATOM 534 CE1 PHE A 34 3.297 4.479 18.406 1.00 21.41 C ATOM 535 CE2 PHE A 34 2.298 4.135 16.223 1.00 73.15 C ATOM 536 CZ PHE A 34 3.340 4.635 17.015 1.00 21.53 C ATOM 0 H PHE A 34 -1.654 3.491 17.697 1.00 32.22 H new ATOM 0 HA PHE A 34 -1.494 1.754 19.930 1.00 14.14 H new ATOM 0 HB2 PHE A 34 0.869 1.678 19.509 1.00 21.53 H new ATOM 0 HB3 PHE A 34 -0.004 1.577 17.994 1.00 21.53 H new ATOM 0 HD1 PHE A 34 2.213 3.641 20.063 1.00 72.22 H new ATOM 0 HD2 PHE A 34 0.361 3.185 16.218 1.00 55.24 H new ATOM 0 HE1 PHE A 34 4.081 4.893 19.023 1.00 21.41 H new ATOM 0 HE2 PHE A 34 2.340 4.239 15.149 1.00 73.15 H new ATOM 0 HZ PHE A 34 4.175 5.140 16.553 1.00 21.53 H new ATOM 546 N ASN A 35 -0.761 4.837 20.531 1.00 60.22 N ATOM 547 CA ASN A 35 -0.705 5.852 21.566 1.00 4.10 C ATOM 548 C ASN A 35 -1.867 5.824 22.550 1.00 25.34 C ATOM 549 O ASN A 35 -1.744 6.310 23.669 1.00 42.43 O ATOM 550 CB ASN A 35 -0.600 7.252 20.930 1.00 41.02 C ATOM 551 CG ASN A 35 0.818 7.560 20.446 1.00 11.23 C ATOM 552 OD1 ASN A 35 1.701 7.864 21.251 1.00 71.41 O ATOM 553 ND2 ASN A 35 1.028 7.529 19.112 1.00 43.45 N ATOM 0 H ASN A 35 -0.846 5.239 19.597 1.00 60.22 H new ATOM 0 HA ASN A 35 0.186 5.621 22.149 1.00 4.10 H new ATOM 0 HB2 ASN A 35 -1.292 7.321 20.091 1.00 41.02 H new ATOM 0 HB3 ASN A 35 -0.905 8.004 21.658 1.00 41.02 H new ATOM 0 HD21 ASN A 35 1.946 7.763 18.735 1.00 43.45 H new ATOM 0 HD22 ASN A 35 0.268 7.272 18.482 1.00 43.45 H new ATOM 560 N PHE A 36 -3.007 5.214 22.169 1.00 61.33 N ATOM 561 CA PHE A 36 -4.215 5.031 22.958 1.00 15.54 C ATOM 562 C PHE A 36 -3.931 4.279 24.246 1.00 14.40 C ATOM 563 O PHE A 36 -4.447 4.611 25.309 1.00 51.21 O ATOM 564 CB PHE A 36 -5.237 4.265 22.072 1.00 50.13 C ATOM 565 CG PHE A 36 -6.581 4.038 22.680 1.00 65.25 C ATOM 566 CD1 PHE A 36 -6.837 2.883 23.434 1.00 44.40 C ATOM 567 CD2 PHE A 36 -7.619 4.947 22.446 1.00 14.44 C ATOM 568 CE1 PHE A 36 -8.110 2.647 23.958 1.00 54.34 C ATOM 569 CE2 PHE A 36 -8.880 4.740 23.007 1.00 33.23 C ATOM 570 CZ PHE A 36 -9.122 3.583 23.747 1.00 25.31 C ATOM 0 H PHE A 36 -3.102 4.813 21.236 1.00 61.33 H new ATOM 0 HA PHE A 36 -4.619 5.999 23.254 1.00 15.54 H new ATOM 0 HB2 PHE A 36 -5.368 4.817 21.142 1.00 50.13 H new ATOM 0 HB3 PHE A 36 -4.809 3.297 21.810 1.00 50.13 H new ATOM 0 HD1 PHE A 36 -6.044 2.171 23.611 1.00 44.40 H new ATOM 0 HD2 PHE A 36 -7.443 5.814 21.827 1.00 14.44 H new ATOM 0 HE1 PHE A 36 -8.309 1.747 24.522 1.00 54.34 H new ATOM 0 HE2 PHE A 36 -9.663 5.471 22.869 1.00 33.23 H new ATOM 0 HZ PHE A 36 -10.104 3.410 24.161 1.00 25.31 H new ATOM 580 N TRP A 37 -3.094 3.229 24.159 1.00 63.21 N ATOM 581 CA TRP A 37 -2.817 2.322 25.249 1.00 62.35 C ATOM 582 C TRP A 37 -1.835 2.917 26.251 1.00 34.31 C ATOM 583 O TRP A 37 -1.674 2.391 27.351 1.00 43.15 O ATOM 584 CB TRP A 37 -2.254 0.994 24.688 1.00 20.02 C ATOM 585 CG TRP A 37 -3.180 0.349 23.667 1.00 43.24 C ATOM 586 CD1 TRP A 37 -2.940 0.219 22.328 1.00 60.40 C ATOM 587 CD2 TRP A 37 -4.554 -0.042 23.872 1.00 0.22 C ATOM 588 NE1 TRP A 37 -4.064 -0.237 21.678 1.00 40.23 N ATOM 589 CE2 TRP A 37 -5.072 -0.381 22.603 1.00 21.33 C ATOM 590 CE3 TRP A 37 -5.356 -0.097 25.013 1.00 54.43 C ATOM 591 CZ2 TRP A 37 -6.400 -0.752 22.453 1.00 12.41 C ATOM 592 CZ3 TRP A 37 -6.706 -0.453 24.851 1.00 14.43 C ATOM 593 CH2 TRP A 37 -7.228 -0.748 23.582 1.00 12.41 C ATOM 0 H TRP A 37 -2.589 2.997 23.304 1.00 63.21 H new ATOM 0 HA TRP A 37 -3.753 2.138 25.776 1.00 62.35 H new ATOM 0 HB2 TRP A 37 -1.285 1.181 24.226 1.00 20.02 H new ATOM 0 HB3 TRP A 37 -2.086 0.299 25.511 1.00 20.02 H new ATOM 0 HD1 TRP A 37 -1.999 0.443 21.847 1.00 60.40 H new ATOM 0 HE1 TRP A 37 -4.137 -0.435 20.680 1.00 40.23 H new ATOM 0 HE3 TRP A 37 -4.952 0.127 25.989 1.00 54.43 H new ATOM 0 HZ2 TRP A 37 -6.787 -1.038 21.486 1.00 12.41 H new ATOM 0 HZ3 TRP A 37 -7.351 -0.500 25.716 1.00 14.43 H new ATOM 0 HH2 TRP A 37 -8.279 -0.974 23.475 1.00 12.41 H new ATOM 604 N LYS A 38 -1.139 4.024 25.885 1.00 35.44 N ATOM 605 CA LYS A 38 -0.166 4.694 26.735 1.00 24.23 C ATOM 606 C LYS A 38 -0.806 5.289 27.987 1.00 35.15 C ATOM 607 O LYS A 38 -1.827 5.976 27.932 1.00 42.31 O ATOM 608 CB LYS A 38 0.564 5.830 25.965 1.00 62.12 C ATOM 609 CG LYS A 38 1.701 6.549 26.725 1.00 3.15 C ATOM 610 CD LYS A 38 2.905 5.660 27.105 1.00 25.14 C ATOM 611 CE LYS A 38 3.717 5.099 25.931 1.00 34.32 C ATOM 612 NZ LYS A 38 4.404 6.189 25.209 1.00 41.23 N ATOM 0 H LYS A 38 -1.252 4.469 24.974 1.00 35.44 H new ATOM 0 HA LYS A 38 0.550 3.929 27.036 1.00 24.23 H new ATOM 0 HB2 LYS A 38 0.977 5.411 25.047 1.00 62.12 H new ATOM 0 HB3 LYS A 38 -0.176 6.575 25.671 1.00 62.12 H new ATOM 0 HG2 LYS A 38 2.060 7.376 26.112 1.00 3.15 H new ATOM 0 HG3 LYS A 38 1.289 6.983 27.636 1.00 3.15 H new ATOM 0 HD2 LYS A 38 3.574 6.240 27.741 1.00 25.14 H new ATOM 0 HD3 LYS A 38 2.541 4.824 27.703 1.00 25.14 H new ATOM 0 HE2 LYS A 38 4.449 4.380 26.298 1.00 34.32 H new ATOM 0 HE3 LYS A 38 3.058 4.562 25.249 1.00 34.32 H new ATOM 0 HZ1 LYS A 38 4.976 5.788 24.438 1.00 41.23 H new ATOM 0 HZ2 LYS A 38 3.698 6.842 24.813 1.00 41.23 H new ATOM 0 HZ3 LYS A 38 5.022 6.705 25.867 1.00 41.23 H new ATOM 626 N GLU A 39 -0.205 5.055 29.178 1.00 55.12 N ATOM 627 CA GLU A 39 -0.710 5.596 30.423 1.00 1.12 C ATOM 628 C GLU A 39 -0.608 7.117 30.443 1.00 13.54 C ATOM 629 O GLU A 39 0.437 7.697 30.154 1.00 5.21 O ATOM 630 CB GLU A 39 0.047 5.030 31.659 1.00 72.41 C ATOM 631 CG GLU A 39 -0.137 3.506 31.914 1.00 14.53 C ATOM 632 CD GLU A 39 0.755 2.577 31.078 1.00 44.43 C ATOM 633 OE1 GLU A 39 1.523 3.078 30.214 1.00 33.31 O ATOM 634 OE2 GLU A 39 0.669 1.345 31.319 1.00 1.20 O ATOM 0 H GLU A 39 0.636 4.488 29.283 1.00 55.12 H new ATOM 0 HA GLU A 39 -1.756 5.294 30.483 1.00 1.12 H new ATOM 0 HB2 GLU A 39 1.111 5.235 31.538 1.00 72.41 H new ATOM 0 HB3 GLU A 39 -0.283 5.572 32.545 1.00 72.41 H new ATOM 0 HG2 GLU A 39 0.052 3.308 32.969 1.00 14.53 H new ATOM 0 HG3 GLU A 39 -1.179 3.248 31.723 1.00 14.53 H new ATOM 641 N GLY A 40 -1.722 7.803 30.786 1.00 25.25 N ATOM 642 CA GLY A 40 -1.778 9.257 30.804 1.00 52.20 C ATOM 643 C GLY A 40 -2.213 9.880 29.501 1.00 0.23 C ATOM 644 O GLY A 40 -2.369 11.096 29.437 1.00 24.04 O ATOM 0 H GLY A 40 -2.597 7.353 31.055 1.00 25.25 H new ATOM 0 HA2 GLY A 40 -2.464 9.572 31.590 1.00 52.20 H new ATOM 0 HA3 GLY A 40 -0.793 9.643 31.066 1.00 52.20 H new ATOM 648 N TYR A 41 -2.431 9.087 28.427 1.00 51.23 N ATOM 649 CA TYR A 41 -2.849 9.602 27.131 1.00 51.14 C ATOM 650 C TYR A 41 -4.350 9.531 26.952 1.00 55.40 C ATOM 651 O TYR A 41 -5.001 8.548 27.298 1.00 33.33 O ATOM 652 CB TYR A 41 -2.159 8.874 25.941 1.00 13.34 C ATOM 653 CG TYR A 41 -0.742 9.340 25.663 1.00 61.40 C ATOM 654 CD1 TYR A 41 -0.335 9.377 24.318 1.00 74.03 C ATOM 655 CD2 TYR A 41 0.176 9.766 26.646 1.00 64.01 C ATOM 656 CE1 TYR A 41 0.946 9.809 23.956 1.00 1.00 C ATOM 657 CE2 TYR A 41 1.459 10.204 26.287 1.00 1.31 C ATOM 658 CZ TYR A 41 1.846 10.221 24.943 1.00 21.24 C ATOM 659 OH TYR A 41 3.144 10.644 24.588 1.00 61.05 O ATOM 0 H TYR A 41 -2.318 8.073 28.449 1.00 51.23 H new ATOM 0 HA TYR A 41 -2.535 10.646 27.122 1.00 51.14 H new ATOM 0 HB2 TYR A 41 -2.144 7.803 26.144 1.00 13.34 H new ATOM 0 HB3 TYR A 41 -2.760 9.019 25.043 1.00 13.34 H new ATOM 0 HD1 TYR A 41 -1.025 9.066 23.548 1.00 74.03 H new ATOM 0 HD2 TYR A 41 -0.113 9.755 27.687 1.00 64.01 H new ATOM 0 HE1 TYR A 41 1.239 9.824 22.916 1.00 1.00 H new ATOM 0 HE2 TYR A 41 2.150 10.529 27.051 1.00 1.31 H new ATOM 0 HH TYR A 41 3.638 10.897 25.396 1.00 61.05 H new ATOM 669 N GLN A 42 -4.948 10.616 26.403 1.00 10.13 N ATOM 670 CA GLN A 42 -6.328 10.630 25.983 1.00 43.03 C ATOM 671 C GLN A 42 -6.367 10.830 24.483 1.00 33.33 C ATOM 672 O GLN A 42 -6.002 11.881 23.962 1.00 72.34 O ATOM 673 CB GLN A 42 -7.178 11.754 26.641 1.00 62.55 C ATOM 674 CG GLN A 42 -7.376 11.644 28.174 1.00 64.51 C ATOM 675 CD GLN A 42 -6.216 12.249 28.973 1.00 25.31 C ATOM 676 OE1 GLN A 42 -6.127 13.468 29.132 1.00 52.44 O ATOM 677 NE2 GLN A 42 -5.312 11.380 29.491 1.00 53.20 N ATOM 0 H GLN A 42 -4.464 11.500 26.248 1.00 10.13 H new ATOM 0 HA GLN A 42 -6.760 9.679 26.294 1.00 43.03 H new ATOM 0 HB2 GLN A 42 -6.708 12.713 26.423 1.00 62.55 H new ATOM 0 HB3 GLN A 42 -8.160 11.765 26.167 1.00 62.55 H new ATOM 0 HG2 GLN A 42 -8.302 12.147 28.452 1.00 64.51 H new ATOM 0 HG3 GLN A 42 -7.489 10.594 28.446 1.00 64.51 H new ATOM 0 HE21 GLN A 42 -5.422 10.378 29.337 1.00 53.20 H new ATOM 0 HE22 GLN A 42 -4.523 11.729 30.035 1.00 53.20 H new ATOM 686 N ILE A 43 -6.853 9.808 23.759 1.00 22.54 N ATOM 687 CA ILE A 43 -7.152 9.868 22.342 1.00 63.34 C ATOM 688 C ILE A 43 -8.636 10.145 22.167 1.00 64.44 C ATOM 689 O ILE A 43 -9.487 9.448 22.714 1.00 40.52 O ATOM 690 CB ILE A 43 -6.797 8.566 21.665 1.00 2.12 C ATOM 691 CG1 ILE A 43 -5.297 8.226 21.817 1.00 22.05 C ATOM 692 CG2 ILE A 43 -7.232 8.534 20.181 1.00 15.33 C ATOM 693 CD1 ILE A 43 -4.302 9.167 21.127 1.00 35.32 C ATOM 0 H ILE A 43 -7.050 8.895 24.168 1.00 22.54 H new ATOM 0 HA ILE A 43 -6.562 10.663 21.886 1.00 63.34 H new ATOM 0 HB ILE A 43 -7.364 7.790 22.180 1.00 2.12 H new ATOM 0 HG12 ILE A 43 -5.060 8.202 22.881 1.00 22.05 H new ATOM 0 HG13 ILE A 43 -5.136 7.219 21.432 1.00 22.05 H new ATOM 0 HG21 ILE A 43 -6.953 7.577 19.741 1.00 15.33 H new ATOM 0 HG22 ILE A 43 -8.312 8.663 20.116 1.00 15.33 H new ATOM 0 HG23 ILE A 43 -6.737 9.340 19.639 1.00 15.33 H new ATOM 0 HD11 ILE A 43 -3.285 8.819 21.310 1.00 35.32 H new ATOM 0 HD12 ILE A 43 -4.495 9.177 20.054 1.00 35.32 H new ATOM 0 HD13 ILE A 43 -4.418 10.175 21.526 1.00 35.32 H new ATOM 705 N THR A 44 -8.969 11.199 21.393 1.00 52.23 N ATOM 706 CA THR A 44 -10.336 11.676 21.193 1.00 30.12 C ATOM 707 C THR A 44 -10.721 11.660 19.728 1.00 44.40 C ATOM 708 O THR A 44 -11.804 12.105 19.360 1.00 32.53 O ATOM 709 CB THR A 44 -10.570 13.084 21.741 1.00 72.43 C ATOM 710 OG1 THR A 44 -9.722 14.058 21.138 1.00 3.32 O ATOM 711 CG2 THR A 44 -10.305 13.105 23.258 1.00 70.45 C ATOM 0 H THR A 44 -8.275 11.747 20.884 1.00 52.23 H new ATOM 0 HA THR A 44 -10.963 10.983 21.753 1.00 30.12 H new ATOM 0 HB THR A 44 -11.605 13.336 21.512 1.00 72.43 H new ATOM 0 HG1 THR A 44 -9.912 14.940 21.521 1.00 3.32 H new ATOM 0 HG21 THR A 44 -10.473 14.111 23.643 1.00 70.45 H new ATOM 0 HG22 THR A 44 -10.980 12.409 23.755 1.00 70.45 H new ATOM 0 HG23 THR A 44 -9.273 12.810 23.451 1.00 70.45 H new ATOM 719 N ASN A 45 -9.817 11.197 18.839 1.00 3.34 N ATOM 720 CA ASN A 45 -9.915 11.422 17.418 1.00 72.45 C ATOM 721 C ASN A 45 -10.718 10.349 16.724 1.00 43.03 C ATOM 722 O ASN A 45 -10.477 9.159 16.895 1.00 2.33 O ATOM 723 CB ASN A 45 -8.496 11.543 16.810 1.00 51.11 C ATOM 724 CG ASN A 45 -8.553 12.055 15.372 1.00 52.14 C ATOM 725 OD1 ASN A 45 -9.417 12.855 15.010 1.00 31.41 O ATOM 726 ND2 ASN A 45 -7.626 11.546 14.529 1.00 4.50 N ATOM 0 H ASN A 45 -8.998 10.653 19.111 1.00 3.34 H new ATOM 0 HA ASN A 45 -10.451 12.358 17.260 1.00 72.45 H new ATOM 0 HB2 ASN A 45 -7.894 12.220 17.416 1.00 51.11 H new ATOM 0 HB3 ASN A 45 -8.003 10.571 16.833 1.00 51.11 H new ATOM 0 HD21 ASN A 45 -7.623 11.822 13.547 1.00 4.50 H new ATOM 0 HD22 ASN A 45 -6.930 10.886 14.875 1.00 4.50 H new ATOM 733 N ARG A 46 -11.659 10.774 15.856 1.00 24.13 N ATOM 734 CA ARG A 46 -12.632 9.941 15.178 1.00 44.24 C ATOM 735 C ARG A 46 -12.011 8.876 14.297 1.00 33.02 C ATOM 736 O ARG A 46 -12.503 7.756 14.200 1.00 4.13 O ATOM 737 CB ARG A 46 -13.574 10.837 14.358 1.00 72.31 C ATOM 738 CG ARG A 46 -12.894 11.608 13.215 1.00 3.54 C ATOM 739 CD ARG A 46 -13.809 12.709 12.678 1.00 2.40 C ATOM 740 NE ARG A 46 -15.033 12.070 12.096 1.00 24.21 N ATOM 741 CZ ARG A 46 -16.091 12.802 11.635 1.00 75.20 C ATOM 742 NH1 ARG A 46 -16.015 14.161 11.584 1.00 0.05 N ATOM 743 NH2 ARG A 46 -17.223 12.151 11.239 1.00 14.22 N ATOM 0 H ARG A 46 -11.752 11.759 15.607 1.00 24.13 H new ATOM 0 HA ARG A 46 -13.187 9.402 15.945 1.00 44.24 H new ATOM 0 HB2 ARG A 46 -14.368 10.219 13.939 1.00 72.31 H new ATOM 0 HB3 ARG A 46 -14.048 11.553 15.029 1.00 72.31 H new ATOM 0 HG2 ARG A 46 -11.962 12.046 13.571 1.00 3.54 H new ATOM 0 HG3 ARG A 46 -12.636 10.920 12.410 1.00 3.54 H new ATOM 0 HD2 ARG A 46 -14.085 13.396 13.478 1.00 2.40 H new ATOM 0 HD3 ARG A 46 -13.291 13.295 11.919 1.00 2.40 H new ATOM 0 HE ARG A 46 -15.078 11.052 12.042 1.00 24.21 H new ATOM 0 HH11 ARG A 46 -15.166 14.636 11.891 1.00 0.05 H new ATOM 0 HH12 ARG A 46 -16.807 14.703 11.239 1.00 0.05 H new ATOM 0 HH21 ARG A 46 -17.270 11.133 11.290 1.00 14.22 H new ATOM 0 HH22 ARG A 46 -18.022 12.682 10.892 1.00 14.22 H new ATOM 757 N GLU A 47 -10.844 9.186 13.700 1.00 62.04 N ATOM 758 CA GLU A 47 -10.015 8.250 12.992 1.00 33.14 C ATOM 759 C GLU A 47 -9.454 7.133 13.807 1.00 74.14 C ATOM 760 O GLU A 47 -9.247 6.049 13.267 1.00 34.24 O ATOM 761 CB GLU A 47 -8.861 8.955 12.275 1.00 62.10 C ATOM 762 CG GLU A 47 -9.266 9.584 10.929 1.00 64.42 C ATOM 763 CD GLU A 47 -8.429 10.771 10.464 1.00 64.15 C ATOM 764 OE1 GLU A 47 -8.335 11.758 11.241 1.00 2.34 O ATOM 765 OE2 GLU A 47 -7.893 10.706 9.328 1.00 63.25 O ATOM 0 H GLU A 47 -10.459 10.131 13.710 1.00 62.04 H new ATOM 0 HA GLU A 47 -10.705 7.797 12.280 1.00 33.14 H new ATOM 0 HB2 GLU A 47 -8.461 9.733 12.925 1.00 62.10 H new ATOM 0 HB3 GLU A 47 -8.058 8.238 12.105 1.00 62.10 H new ATOM 0 HG2 GLU A 47 -9.221 8.811 10.162 1.00 64.42 H new ATOM 0 HG3 GLU A 47 -10.306 9.904 10.999 1.00 64.42 H new ATOM 772 N ALA A 48 -9.209 7.347 15.116 1.00 73.31 N ATOM 773 CA ALA A 48 -8.705 6.267 15.958 1.00 22.22 C ATOM 774 C ALA A 48 -9.653 5.074 15.963 1.00 63.31 C ATOM 775 O ALA A 48 -9.239 3.938 15.788 1.00 75.21 O ATOM 776 CB ALA A 48 -8.474 6.708 17.425 1.00 62.04 C ATOM 0 H ALA A 48 -9.350 8.237 15.594 1.00 73.31 H new ATOM 0 HA ALA A 48 -7.747 5.984 15.521 1.00 22.22 H new ATOM 0 HB1 ALA A 48 -8.099 5.864 18.004 1.00 62.04 H new ATOM 0 HB2 ALA A 48 -7.745 7.518 17.451 1.00 62.04 H new ATOM 0 HB3 ALA A 48 -9.415 7.053 17.854 1.00 62.04 H new ATOM 782 N GLY A 49 -10.977 5.311 16.051 1.00 73.42 N ATOM 783 CA GLY A 49 -11.986 4.260 15.987 1.00 31.22 C ATOM 784 C GLY A 49 -12.026 3.567 14.668 1.00 5.13 C ATOM 785 O GLY A 49 -12.222 2.357 14.614 1.00 33.40 O ATOM 0 H GLY A 49 -11.368 6.246 16.169 1.00 73.42 H new ATOM 0 HA2 GLY A 49 -11.789 3.527 16.770 1.00 31.22 H new ATOM 0 HA3 GLY A 49 -12.965 4.692 16.194 1.00 31.22 H new ATOM 789 N CYS A 50 -11.845 4.337 13.569 1.00 24.32 N ATOM 790 CA CYS A 50 -11.879 3.840 12.211 1.00 62.42 C ATOM 791 C CYS A 50 -10.754 2.857 11.967 1.00 62.42 C ATOM 792 O CYS A 50 -10.963 1.811 11.359 1.00 30.14 O ATOM 793 CB CYS A 50 -11.776 4.988 11.171 1.00 3.14 C ATOM 794 SG CYS A 50 -13.194 6.138 11.126 1.00 75.33 S ATOM 0 H CYS A 50 -11.669 5.340 13.624 1.00 24.32 H new ATOM 0 HA CYS A 50 -12.840 3.340 12.087 1.00 62.42 H new ATOM 0 HB2 CYS A 50 -10.872 5.561 11.377 1.00 3.14 H new ATOM 0 HB3 CYS A 50 -11.656 4.548 10.181 1.00 3.14 H new ATOM 799 N VAL A 51 -9.527 3.146 12.468 1.00 4.42 N ATOM 800 CA VAL A 51 -8.441 2.177 12.420 1.00 74.05 C ATOM 801 C VAL A 51 -8.704 0.995 13.322 1.00 4.12 C ATOM 802 O VAL A 51 -8.522 -0.144 12.917 1.00 33.55 O ATOM 803 CB VAL A 51 -7.046 2.801 12.629 1.00 34.10 C ATOM 804 CG1 VAL A 51 -6.888 3.654 13.900 1.00 12.13 C ATOM 805 CG2 VAL A 51 -5.981 1.694 12.778 1.00 73.40 C ATOM 0 H VAL A 51 -9.282 4.036 12.902 1.00 4.42 H new ATOM 0 HA VAL A 51 -8.420 1.794 11.400 1.00 74.05 H new ATOM 0 HB VAL A 51 -6.921 3.434 11.751 1.00 34.10 H new ATOM 0 HG11 VAL A 51 -5.872 4.045 13.952 1.00 12.13 H new ATOM 0 HG12 VAL A 51 -7.595 4.483 13.872 1.00 12.13 H new ATOM 0 HG13 VAL A 51 -7.085 3.039 14.778 1.00 12.13 H new ATOM 0 HG21 VAL A 51 -5.001 2.149 12.925 1.00 73.40 H new ATOM 0 HG22 VAL A 51 -6.223 1.069 13.638 1.00 73.40 H new ATOM 0 HG23 VAL A 51 -5.965 1.081 11.877 1.00 73.40 H new ATOM 815 N ILE A 52 -9.232 1.205 14.539 1.00 63.31 N ATOM 816 CA ILE A 52 -9.450 0.142 15.516 1.00 23.31 C ATOM 817 C ILE A 52 -10.383 -0.948 15.010 1.00 64.44 C ATOM 818 O ILE A 52 -10.087 -2.139 15.120 1.00 3.44 O ATOM 819 CB ILE A 52 -9.970 0.741 16.823 1.00 34.45 C ATOM 820 CG1 ILE A 52 -8.856 1.539 17.527 1.00 51.14 C ATOM 821 CG2 ILE A 52 -10.569 -0.354 17.729 1.00 44.40 C ATOM 822 CD1 ILE A 52 -9.243 2.629 18.551 1.00 74.44 C ATOM 0 H ILE A 52 -9.520 2.126 14.869 1.00 63.31 H new ATOM 0 HA ILE A 52 -8.488 -0.340 15.692 1.00 23.31 H new ATOM 0 HB ILE A 52 -10.776 1.439 16.597 1.00 34.45 H new ATOM 0 HG12 ILE A 52 -8.212 0.823 18.037 1.00 51.14 H new ATOM 0 HG13 ILE A 52 -8.254 2.015 16.753 1.00 51.14 H new ATOM 0 HG21 ILE A 52 -10.932 0.096 18.653 1.00 44.40 H new ATOM 0 HG22 ILE A 52 -11.396 -0.841 17.213 1.00 44.40 H new ATOM 0 HG23 ILE A 52 -9.802 -1.093 17.963 1.00 44.40 H new ATOM 0 HD11 ILE A 52 -8.340 3.091 18.950 1.00 74.44 H new ATOM 0 HD12 ILE A 52 -9.853 3.388 18.061 1.00 74.44 H new ATOM 0 HD13 ILE A 52 -9.810 2.178 19.365 1.00 74.44 H new ATOM 834 N LEU A 53 -11.521 -0.566 14.397 1.00 4.31 N ATOM 835 CA LEU A 53 -12.457 -1.508 13.820 1.00 30.44 C ATOM 836 C LEU A 53 -11.926 -2.256 12.614 1.00 61.13 C ATOM 837 O LEU A 53 -12.290 -3.399 12.347 1.00 13.03 O ATOM 838 CB LEU A 53 -13.814 -0.803 13.543 1.00 63.23 C ATOM 839 CG LEU A 53 -13.832 0.411 12.583 1.00 30.30 C ATOM 840 CD1 LEU A 53 -13.782 0.071 11.087 1.00 40.54 C ATOM 841 CD2 LEU A 53 -15.077 1.276 12.848 1.00 30.11 C ATOM 0 H LEU A 53 -11.803 0.409 14.296 1.00 4.31 H new ATOM 0 HA LEU A 53 -12.616 -2.293 14.560 1.00 30.44 H new ATOM 0 HB2 LEU A 53 -14.501 -1.550 13.146 1.00 63.23 H new ATOM 0 HB3 LEU A 53 -14.219 -0.475 14.500 1.00 63.23 H new ATOM 0 HG LEU A 53 -12.909 0.947 12.803 1.00 30.30 H new ATOM 0 HD11 LEU A 53 -13.799 0.992 10.504 1.00 40.54 H new ATOM 0 HD12 LEU A 53 -12.867 -0.479 10.869 1.00 40.54 H new ATOM 0 HD13 LEU A 53 -14.645 -0.541 10.824 1.00 40.54 H new ATOM 0 HD21 LEU A 53 -15.080 2.127 12.167 1.00 30.11 H new ATOM 0 HD22 LEU A 53 -15.975 0.680 12.687 1.00 30.11 H new ATOM 0 HD23 LEU A 53 -15.059 1.634 13.877 1.00 30.11 H new ATOM 853 N CYS A 54 -11.011 -1.609 11.874 1.00 74.45 N ATOM 854 CA CYS A 54 -10.275 -2.165 10.759 1.00 24.31 C ATOM 855 C CYS A 54 -9.355 -3.296 11.171 1.00 1.33 C ATOM 856 O CYS A 54 -9.305 -4.298 10.464 1.00 42.51 O ATOM 857 CB CYS A 54 -9.509 -1.058 9.987 1.00 44.14 C ATOM 858 SG CYS A 54 -8.581 -1.641 8.535 1.00 71.24 S ATOM 0 H CYS A 54 -10.762 -0.637 12.057 1.00 74.45 H new ATOM 0 HA CYS A 54 -11.010 -2.601 10.082 1.00 24.31 H new ATOM 0 HB2 CYS A 54 -10.223 -0.300 9.664 1.00 44.14 H new ATOM 0 HB3 CYS A 54 -8.815 -0.571 10.672 1.00 44.14 H new ATOM 863 N LEU A 55 -8.610 -3.252 12.314 1.00 35.45 N ATOM 864 CA LEU A 55 -7.878 -4.422 12.725 1.00 21.22 C ATOM 865 C LEU A 55 -8.759 -5.599 12.987 1.00 32.02 C ATOM 866 O LEU A 55 -8.453 -6.694 12.544 1.00 12.22 O ATOM 867 CB LEU A 55 -7.103 -4.044 13.958 1.00 61.11 C ATOM 868 CG LEU A 55 -5.895 -3.150 13.634 1.00 10.03 C ATOM 869 CD1 LEU A 55 -4.804 -3.936 12.896 1.00 73.30 C ATOM 870 CD2 LEU A 55 -6.073 -1.764 13.024 1.00 70.51 C ATOM 0 H LEU A 55 -8.520 -2.440 12.925 1.00 35.45 H new ATOM 0 HA LEU A 55 -7.215 -4.735 11.918 1.00 21.22 H new ATOM 0 HB2 LEU A 55 -7.762 -3.524 14.654 1.00 61.11 H new ATOM 0 HB3 LEU A 55 -6.759 -4.948 14.460 1.00 61.11 H new ATOM 0 HG LEU A 55 -5.606 -2.871 14.647 1.00 10.03 H new ATOM 0 HD11 LEU A 55 -3.963 -3.277 12.681 1.00 73.30 H new ATOM 0 HD12 LEU A 55 -4.466 -4.763 13.520 1.00 73.30 H new ATOM 0 HD13 LEU A 55 -5.206 -4.327 11.962 1.00 73.30 H new ATOM 0 HD21 LEU A 55 -5.096 -1.304 12.876 1.00 70.51 H new ATOM 0 HD22 LEU A 55 -6.582 -1.852 12.064 1.00 70.51 H new ATOM 0 HD23 LEU A 55 -6.668 -1.145 13.695 1.00 70.51 H new ATOM 882 N ALA A 56 -9.920 -5.371 13.611 1.00 11.24 N ATOM 883 CA ALA A 56 -10.884 -6.372 13.975 1.00 33.14 C ATOM 884 C ALA A 56 -11.381 -7.211 12.821 1.00 22.34 C ATOM 885 O ALA A 56 -11.605 -8.412 12.955 1.00 5.44 O ATOM 886 CB ALA A 56 -12.043 -5.648 14.662 1.00 44.42 C ATOM 0 H ALA A 56 -10.211 -4.432 13.882 1.00 11.24 H new ATOM 0 HA ALA A 56 -10.399 -7.089 14.637 1.00 33.14 H new ATOM 0 HB1 ALA A 56 -12.802 -6.373 14.957 1.00 44.42 H new ATOM 0 HB2 ALA A 56 -11.674 -5.129 15.547 1.00 44.42 H new ATOM 0 HB3 ALA A 56 -12.480 -4.925 13.973 1.00 44.42 H new ATOM 892 N LYS A 57 -11.543 -6.592 11.638 1.00 40.32 N ATOM 893 CA LYS A 57 -11.921 -7.334 10.457 1.00 51.50 C ATOM 894 C LYS A 57 -10.736 -8.075 9.820 1.00 40.03 C ATOM 895 O LYS A 57 -10.915 -9.038 9.077 1.00 15.10 O ATOM 896 CB LYS A 57 -12.635 -6.416 9.431 1.00 44.33 C ATOM 897 CG LYS A 57 -11.777 -5.468 8.600 1.00 41.51 C ATOM 898 CD LYS A 57 -12.615 -4.687 7.581 1.00 4.42 C ATOM 899 CE LYS A 57 -13.437 -3.539 8.165 1.00 74.41 C ATOM 900 NZ LYS A 57 -14.164 -2.859 7.075 1.00 43.14 N ATOM 0 H LYS A 57 -11.416 -5.591 11.491 1.00 40.32 H new ATOM 0 HA LYS A 57 -12.626 -8.101 10.776 1.00 51.50 H new ATOM 0 HB2 LYS A 57 -13.191 -7.053 8.743 1.00 44.33 H new ATOM 0 HB3 LYS A 57 -13.367 -5.816 9.972 1.00 44.33 H new ATOM 0 HG2 LYS A 57 -11.264 -4.769 9.260 1.00 41.51 H new ATOM 0 HG3 LYS A 57 -11.008 -6.037 8.078 1.00 41.51 H new ATOM 0 HD2 LYS A 57 -11.949 -4.285 6.817 1.00 4.42 H new ATOM 0 HD3 LYS A 57 -13.291 -5.381 7.081 1.00 4.42 H new ATOM 0 HE2 LYS A 57 -14.141 -3.920 8.905 1.00 74.41 H new ATOM 0 HE3 LYS A 57 -12.784 -2.833 8.679 1.00 74.41 H new ATOM 0 HZ1 LYS A 57 -14.725 -2.076 7.467 1.00 43.14 H new ATOM 0 HZ2 LYS A 57 -13.483 -2.484 6.384 1.00 43.14 H new ATOM 0 HZ3 LYS A 57 -14.797 -3.537 6.604 1.00 43.14 H new ATOM 914 N LYS A 58 -9.480 -7.655 10.117 1.00 11.33 N ATOM 915 CA LYS A 58 -8.254 -8.113 9.492 1.00 33.12 C ATOM 916 C LYS A 58 -7.398 -8.972 10.420 1.00 5.12 C ATOM 917 O LYS A 58 -6.174 -9.001 10.338 1.00 63.42 O ATOM 918 CB LYS A 58 -7.434 -6.904 8.989 1.00 24.31 C ATOM 919 CG LYS A 58 -8.081 -6.142 7.827 1.00 5.10 C ATOM 920 CD LYS A 58 -7.161 -5.045 7.277 1.00 62.22 C ATOM 921 CE LYS A 58 -7.762 -4.317 6.082 1.00 71.25 C ATOM 922 NZ LYS A 58 -6.906 -3.178 5.735 1.00 54.02 N ATOM 0 H LYS A 58 -9.307 -6.953 10.837 1.00 11.33 H new ATOM 0 HA LYS A 58 -8.544 -8.744 8.652 1.00 33.12 H new ATOM 0 HB2 LYS A 58 -7.279 -6.214 9.819 1.00 24.31 H new ATOM 0 HB3 LYS A 58 -6.450 -7.252 8.676 1.00 24.31 H new ATOM 0 HG2 LYS A 58 -8.329 -6.841 7.028 1.00 5.10 H new ATOM 0 HG3 LYS A 58 -9.017 -5.696 8.163 1.00 5.10 H new ATOM 0 HD2 LYS A 58 -6.949 -4.324 8.067 1.00 62.22 H new ATOM 0 HD3 LYS A 58 -6.209 -5.488 6.986 1.00 62.22 H new ATOM 0 HE2 LYS A 58 -7.848 -4.995 5.233 1.00 71.25 H new ATOM 0 HE3 LYS A 58 -8.769 -3.973 6.319 1.00 71.25 H new ATOM 0 HZ1 LYS A 58 -7.421 -2.291 5.909 1.00 54.02 H new ATOM 0 HZ2 LYS A 58 -6.046 -3.200 6.319 1.00 54.02 H new ATOM 0 HZ3 LYS A 58 -6.644 -3.234 4.730 1.00 54.02 H new ATOM 936 N LEU A 59 -8.027 -9.738 11.330 1.00 1.41 N ATOM 937 CA LEU A 59 -7.343 -10.549 12.344 1.00 14.30 C ATOM 938 C LEU A 59 -6.790 -11.803 11.746 1.00 70.14 C ATOM 939 O LEU A 59 -5.809 -12.377 12.187 1.00 4.23 O ATOM 940 CB LEU A 59 -8.224 -11.014 13.517 1.00 15.41 C ATOM 941 CG LEU A 59 -8.803 -9.855 14.334 1.00 20.23 C ATOM 942 CD1 LEU A 59 -9.715 -10.387 15.456 1.00 1.54 C ATOM 943 CD2 LEU A 59 -7.859 -8.724 14.731 1.00 65.05 C ATOM 0 H LEU A 59 -9.043 -9.809 11.379 1.00 1.41 H new ATOM 0 HA LEU A 59 -6.575 -9.874 12.721 1.00 14.30 H new ATOM 0 HB2 LEU A 59 -9.042 -11.621 13.130 1.00 15.41 H new ATOM 0 HB3 LEU A 59 -7.635 -11.654 14.174 1.00 15.41 H new ATOM 0 HG LEU A 59 -9.426 -9.300 13.633 1.00 20.23 H new ATOM 0 HD11 LEU A 59 -10.117 -9.549 16.026 1.00 1.54 H new ATOM 0 HD12 LEU A 59 -10.536 -10.956 15.019 1.00 1.54 H new ATOM 0 HD13 LEU A 59 -9.138 -11.033 16.118 1.00 1.54 H new ATOM 0 HD21 LEU A 59 -8.407 -7.977 15.304 1.00 65.05 H new ATOM 0 HD22 LEU A 59 -7.047 -9.124 15.339 1.00 65.05 H new ATOM 0 HD23 LEU A 59 -7.447 -8.262 13.834 1.00 65.05 H new ATOM 955 N GLU A 60 -7.433 -12.235 10.667 1.00 13.03 N ATOM 956 CA GLU A 60 -7.030 -13.370 9.852 1.00 10.32 C ATOM 957 C GLU A 60 -5.685 -13.155 9.166 1.00 74.35 C ATOM 958 O GLU A 60 -5.052 -14.092 8.690 1.00 23.44 O ATOM 959 CB GLU A 60 -8.115 -13.730 8.804 1.00 43.45 C ATOM 960 CG GLU A 60 -8.371 -12.694 7.679 1.00 43.05 C ATOM 961 CD GLU A 60 -9.486 -13.111 6.711 1.00 22.14 C ATOM 962 OE1 GLU A 60 -9.689 -12.358 5.723 1.00 42.41 O ATOM 963 OE2 GLU A 60 -10.135 -14.162 6.946 1.00 3.31 O ATOM 0 H GLU A 60 -8.282 -11.785 10.325 1.00 13.03 H new ATOM 0 HA GLU A 60 -6.915 -14.208 10.539 1.00 10.32 H new ATOM 0 HB2 GLU A 60 -7.837 -14.676 8.338 1.00 43.45 H new ATOM 0 HB3 GLU A 60 -9.054 -13.898 9.331 1.00 43.45 H new ATOM 0 HG2 GLU A 60 -8.630 -11.736 8.129 1.00 43.05 H new ATOM 0 HG3 GLU A 60 -7.449 -12.543 7.117 1.00 43.05 H new ATOM 970 N LEU A 61 -5.236 -11.881 9.111 1.00 2.41 N ATOM 971 CA LEU A 61 -3.940 -11.462 8.610 1.00 31.40 C ATOM 972 C LEU A 61 -2.844 -11.764 9.627 1.00 25.53 C ATOM 973 O LEU A 61 -1.674 -11.908 9.280 1.00 41.15 O ATOM 974 CB LEU A 61 -3.830 -9.951 8.316 1.00 74.11 C ATOM 975 CG LEU A 61 -4.804 -9.308 7.308 1.00 44.14 C ATOM 976 CD1 LEU A 61 -4.096 -8.288 6.410 1.00 74.01 C ATOM 977 CD2 LEU A 61 -5.930 -10.141 6.667 1.00 10.12 C ATOM 0 H LEU A 61 -5.803 -11.096 9.432 1.00 2.41 H new ATOM 0 HA LEU A 61 -3.823 -12.019 7.680 1.00 31.40 H new ATOM 0 HB2 LEU A 61 -3.942 -9.423 9.263 1.00 74.11 H new ATOM 0 HB3 LEU A 61 -2.817 -9.758 7.962 1.00 74.11 H new ATOM 0 HG LEU A 61 -5.484 -8.761 7.961 1.00 44.14 H new ATOM 0 HD11 LEU A 61 -4.814 -7.856 5.713 1.00 74.01 H new ATOM 0 HD12 LEU A 61 -3.667 -7.497 7.025 1.00 74.01 H new ATOM 0 HD13 LEU A 61 -3.302 -8.784 5.852 1.00 74.01 H new ATOM 0 HD21 LEU A 61 -6.506 -9.512 5.988 1.00 10.12 H new ATOM 0 HD22 LEU A 61 -5.496 -10.973 6.112 1.00 10.12 H new ATOM 0 HD23 LEU A 61 -6.585 -10.528 7.447 1.00 10.12 H new ATOM 989 N LEU A 62 -3.217 -11.809 10.924 1.00 54.45 N ATOM 990 CA LEU A 62 -2.359 -12.009 12.079 1.00 72.34 C ATOM 991 C LEU A 62 -1.824 -13.429 12.099 1.00 64.31 C ATOM 992 O LEU A 62 -2.328 -14.335 11.439 1.00 60.32 O ATOM 993 CB LEU A 62 -3.103 -11.752 13.420 1.00 0.41 C ATOM 994 CG LEU A 62 -3.679 -10.324 13.523 1.00 32.44 C ATOM 995 CD1 LEU A 62 -4.635 -10.131 14.713 1.00 0.44 C ATOM 996 CD2 LEU A 62 -2.586 -9.244 13.552 1.00 64.43 C ATOM 0 H LEU A 62 -4.194 -11.698 11.194 1.00 54.45 H new ATOM 0 HA LEU A 62 -1.545 -11.290 11.988 1.00 72.34 H new ATOM 0 HB2 LEU A 62 -3.913 -12.474 13.524 1.00 0.41 H new ATOM 0 HB3 LEU A 62 -2.416 -11.922 14.249 1.00 0.41 H new ATOM 0 HG LEU A 62 -4.262 -10.202 12.610 1.00 32.44 H new ATOM 0 HD11 LEU A 62 -5.001 -9.104 14.723 1.00 0.44 H new ATOM 0 HD12 LEU A 62 -5.478 -10.816 14.618 1.00 0.44 H new ATOM 0 HD13 LEU A 62 -4.104 -10.336 15.643 1.00 0.44 H new ATOM 0 HD21 LEU A 62 -3.049 -8.260 13.625 1.00 64.43 H new ATOM 0 HD22 LEU A 62 -1.938 -9.405 14.414 1.00 64.43 H new ATOM 0 HD23 LEU A 62 -1.995 -9.300 12.638 1.00 64.43 H new ATOM 1008 N ASP A 63 -0.720 -13.653 12.839 1.00 24.31 N ATOM 1009 CA ASP A 63 -0.021 -14.923 12.793 1.00 33.22 C ATOM 1010 C ASP A 63 -0.839 -15.991 13.513 1.00 42.25 C ATOM 1011 O ASP A 63 -1.359 -15.765 14.602 1.00 30.13 O ATOM 1012 CB ASP A 63 1.395 -14.808 13.433 1.00 23.13 C ATOM 1013 CG ASP A 63 2.330 -15.968 13.089 1.00 61.34 C ATOM 1014 OD1 ASP A 63 2.048 -17.104 13.553 1.00 51.43 O ATOM 1015 OD2 ASP A 63 3.331 -15.724 12.371 1.00 54.04 O ATOM 0 H ASP A 63 -0.306 -12.965 13.468 1.00 24.31 H new ATOM 0 HA ASP A 63 0.104 -15.208 11.748 1.00 33.22 H new ATOM 0 HB2 ASP A 63 1.855 -13.875 13.107 1.00 23.13 H new ATOM 0 HB3 ASP A 63 1.289 -14.749 14.516 1.00 23.13 H new ATOM 1020 N GLN A 64 -0.912 -17.213 12.951 1.00 73.12 N ATOM 1021 CA GLN A 64 -1.622 -18.329 13.540 1.00 33.01 C ATOM 1022 C GLN A 64 -1.103 -18.749 14.910 1.00 51.12 C ATOM 1023 O GLN A 64 -1.858 -19.237 15.746 1.00 13.33 O ATOM 1024 CB GLN A 64 -1.645 -19.521 12.552 1.00 34.12 C ATOM 1025 CG GLN A 64 -2.398 -20.771 13.066 1.00 5.13 C ATOM 1026 CD GLN A 64 -3.862 -20.485 13.438 1.00 25.44 C ATOM 1027 OE1 GLN A 64 -4.698 -20.084 12.622 1.00 32.25 O ATOM 1028 NE2 GLN A 64 -4.186 -20.688 14.742 1.00 1.31 N ATOM 0 H GLN A 64 -0.467 -17.440 12.062 1.00 73.12 H new ATOM 0 HA GLN A 64 -2.641 -17.986 13.722 1.00 33.01 H new ATOM 0 HB2 GLN A 64 -2.105 -19.194 11.620 1.00 34.12 H new ATOM 0 HB3 GLN A 64 -0.618 -19.802 12.319 1.00 34.12 H new ATOM 0 HG2 GLN A 64 -2.369 -21.545 12.299 1.00 5.13 H new ATOM 0 HG3 GLN A 64 -1.879 -21.167 13.939 1.00 5.13 H new ATOM 0 HE21 GLN A 64 -3.478 -21.020 15.398 1.00 1.31 H new ATOM 0 HE22 GLN A 64 -5.137 -20.509 15.065 1.00 1.31 H new ATOM 1037 N ASP A 65 0.191 -18.514 15.212 1.00 44.54 N ATOM 1038 CA ASP A 65 0.813 -18.882 16.477 1.00 42.34 C ATOM 1039 C ASP A 65 0.134 -18.252 17.695 1.00 11.51 C ATOM 1040 O ASP A 65 0.085 -18.868 18.757 1.00 12.52 O ATOM 1041 CB ASP A 65 2.318 -18.489 16.509 1.00 63.34 C ATOM 1042 CG ASP A 65 3.185 -19.365 15.605 1.00 22.32 C ATOM 1043 OD1 ASP A 65 2.710 -20.433 15.144 1.00 14.32 O ATOM 1044 OD2 ASP A 65 4.362 -18.967 15.399 1.00 33.52 O ATOM 0 H ASP A 65 0.833 -18.055 14.566 1.00 44.54 H new ATOM 0 HA ASP A 65 0.699 -19.964 16.538 1.00 42.34 H new ATOM 0 HB2 ASP A 65 2.422 -17.448 16.204 1.00 63.34 H new ATOM 0 HB3 ASP A 65 2.684 -18.560 17.533 1.00 63.34 H new ATOM 1049 N MET A 66 -0.409 -17.014 17.583 1.00 24.04 N ATOM 1050 CA MET A 66 -1.120 -16.389 18.691 1.00 33.52 C ATOM 1051 C MET A 66 -2.545 -16.909 18.834 1.00 53.12 C ATOM 1052 O MET A 66 -3.146 -16.747 19.895 1.00 61.32 O ATOM 1053 CB MET A 66 -1.126 -14.836 18.592 1.00 3.40 C ATOM 1054 CG MET A 66 -2.023 -14.190 17.520 1.00 2.01 C ATOM 1055 SD MET A 66 -1.754 -12.403 17.279 1.00 1.34 S ATOM 1056 CE MET A 66 -2.445 -11.816 18.851 1.00 73.21 C ATOM 0 H MET A 66 -0.361 -16.445 16.738 1.00 24.04 H new ATOM 0 HA MET A 66 -0.566 -16.669 19.587 1.00 33.52 H new ATOM 0 HB2 MET A 66 -1.425 -14.439 19.562 1.00 3.40 H new ATOM 0 HB3 MET A 66 -0.102 -14.507 18.415 1.00 3.40 H new ATOM 0 HG2 MET A 66 -1.857 -14.700 16.571 1.00 2.01 H new ATOM 0 HG3 MET A 66 -3.066 -14.353 17.791 1.00 2.01 H new ATOM 0 HE1 MET A 66 -2.503 -10.728 18.839 1.00 73.21 H new ATOM 0 HE2 MET A 66 -3.443 -12.232 18.987 1.00 73.21 H new ATOM 0 HE3 MET A 66 -1.804 -12.136 19.672 1.00 73.21 H new ATOM 1066 N ASN A 67 -3.082 -17.570 17.774 1.00 54.21 N ATOM 1067 CA ASN A 67 -4.431 -18.101 17.616 1.00 31.31 C ATOM 1068 C ASN A 67 -5.580 -17.097 17.630 1.00 22.43 C ATOM 1069 O ASN A 67 -6.693 -17.444 18.024 1.00 25.15 O ATOM 1070 CB ASN A 67 -4.723 -19.228 18.660 1.00 2.12 C ATOM 1071 CG ASN A 67 -3.835 -20.448 18.415 1.00 52.51 C ATOM 1072 OD1 ASN A 67 -4.148 -21.286 17.567 1.00 70.30 O ATOM 1073 ND2 ASN A 67 -2.698 -20.556 19.144 1.00 63.54 N ATOM 0 H ASN A 67 -2.518 -17.752 16.944 1.00 54.21 H new ATOM 0 HA ASN A 67 -4.412 -18.492 16.599 1.00 31.31 H new ATOM 0 HB2 ASN A 67 -4.554 -18.848 19.667 1.00 2.12 H new ATOM 0 HB3 ASN A 67 -5.772 -19.520 18.601 1.00 2.12 H new ATOM 0 HD21 ASN A 67 -2.072 -21.348 18.999 1.00 63.54 H new ATOM 0 HD22 ASN A 67 -2.468 -19.845 19.838 1.00 63.54 H new ATOM 1080 N LEU A 68 -5.392 -15.838 17.154 1.00 4.42 N ATOM 1081 CA LEU A 68 -6.505 -14.902 17.077 1.00 54.10 C ATOM 1082 C LEU A 68 -7.343 -15.154 15.839 1.00 1.35 C ATOM 1083 O LEU A 68 -6.847 -15.076 14.717 1.00 64.50 O ATOM 1084 CB LEU A 68 -6.036 -13.424 17.029 1.00 53.14 C ATOM 1085 CG LEU A 68 -7.037 -12.363 17.557 1.00 62.41 C ATOM 1086 CD1 LEU A 68 -6.733 -10.933 17.138 1.00 62.21 C ATOM 1087 CD2 LEU A 68 -8.509 -12.739 17.812 1.00 24.13 C ATOM 0 H LEU A 68 -4.498 -15.470 16.829 1.00 4.42 H new ATOM 0 HA LEU A 68 -7.090 -15.066 17.982 1.00 54.10 H new ATOM 0 HB2 LEU A 68 -5.114 -13.340 17.605 1.00 53.14 H new ATOM 0 HB3 LEU A 68 -5.791 -13.177 15.996 1.00 53.14 H new ATOM 0 HG LEU A 68 -6.778 -12.392 18.615 1.00 62.41 H new ATOM 0 HD11 LEU A 68 -7.486 -10.264 17.554 1.00 62.21 H new ATOM 0 HD12 LEU A 68 -5.749 -10.647 17.509 1.00 62.21 H new ATOM 0 HD13 LEU A 68 -6.746 -10.862 16.050 1.00 62.21 H new ATOM 0 HD21 LEU A 68 -9.049 -11.866 18.178 1.00 24.13 H new ATOM 0 HD22 LEU A 68 -8.963 -13.083 16.883 1.00 24.13 H new ATOM 0 HD23 LEU A 68 -8.558 -13.534 18.556 1.00 24.13 H new ATOM 1099 N HIS A 69 -8.654 -15.417 16.012 1.00 22.31 N ATOM 1100 CA HIS A 69 -9.572 -15.411 14.897 1.00 72.32 C ATOM 1101 C HIS A 69 -10.853 -14.800 15.380 1.00 1.32 C ATOM 1102 O HIS A 69 -11.118 -14.756 16.583 1.00 35.52 O ATOM 1103 CB HIS A 69 -9.827 -16.823 14.297 1.00 13.13 C ATOM 1104 CG HIS A 69 -8.632 -17.422 13.591 1.00 64.25 C ATOM 1105 ND1 HIS A 69 -8.350 -17.094 12.293 1.00 1.41 N ATOM 1106 CD2 HIS A 69 -7.680 -18.303 13.986 1.00 2.35 C ATOM 1107 CE1 HIS A 69 -7.277 -17.758 11.906 1.00 55.12 C ATOM 1108 NE2 HIS A 69 -6.851 -18.502 12.910 1.00 54.34 N ATOM 0 H HIS A 69 -9.081 -15.633 16.913 1.00 22.31 H new ATOM 0 HA HIS A 69 -9.133 -14.832 14.084 1.00 72.32 H new ATOM 0 HB2 HIS A 69 -10.136 -17.495 15.098 1.00 13.13 H new ATOM 0 HB3 HIS A 69 -10.657 -16.762 13.594 1.00 13.13 H new ATOM 0 HD2 HIS A 69 -7.591 -18.760 14.960 1.00 2.35 H new ATOM 0 HE1 HIS A 69 -6.822 -17.702 10.928 1.00 55.12 H new ATOM 0 HE2 HIS A 69 -6.041 -19.121 12.890 1.00 54.34 H new ATOM 1117 N HIS A 70 -11.670 -14.254 14.452 1.00 63.34 N ATOM 1118 CA HIS A 70 -12.864 -13.533 14.829 1.00 44.22 C ATOM 1119 C HIS A 70 -13.926 -14.443 15.414 1.00 15.33 C ATOM 1120 O HIS A 70 -14.198 -15.542 14.935 1.00 0.14 O ATOM 1121 CB HIS A 70 -13.446 -12.707 13.649 1.00 61.22 C ATOM 1122 CG HIS A 70 -13.821 -13.517 12.438 1.00 14.33 C ATOM 1123 ND1 HIS A 70 -12.959 -13.723 11.394 1.00 25.32 N ATOM 1124 CD2 HIS A 70 -14.954 -14.196 12.151 1.00 63.53 C ATOM 1125 CE1 HIS A 70 -13.550 -14.499 10.503 1.00 43.14 C ATOM 1126 NE2 HIS A 70 -14.759 -14.801 10.939 1.00 33.43 N ATOM 0 H HIS A 70 -11.509 -14.309 13.446 1.00 63.34 H new ATOM 0 HA HIS A 70 -12.558 -12.836 15.609 1.00 44.22 H new ATOM 0 HB2 HIS A 70 -14.329 -12.172 13.999 1.00 61.22 H new ATOM 0 HB3 HIS A 70 -12.714 -11.955 13.354 1.00 61.22 H new ATOM 0 HD2 HIS A 70 -15.843 -14.251 12.761 1.00 63.53 H new ATOM 0 HE1 HIS A 70 -13.116 -14.831 9.572 1.00 43.14 H new ATOM 0 HE2 HIS A 70 -15.436 -15.389 10.453 1.00 33.43 H new ATOM 1135 N GLY A 71 -14.516 -13.985 16.534 1.00 62.13 N ATOM 1136 CA GLY A 71 -15.565 -14.700 17.257 1.00 15.32 C ATOM 1137 C GLY A 71 -15.064 -15.700 18.274 1.00 13.31 C ATOM 1138 O GLY A 71 -15.829 -16.192 19.097 1.00 64.43 O ATOM 0 H GLY A 71 -14.268 -13.093 16.962 1.00 62.13 H new ATOM 0 HA2 GLY A 71 -16.198 -13.972 17.765 1.00 15.32 H new ATOM 0 HA3 GLY A 71 -16.194 -15.221 16.535 1.00 15.32 H new ATOM 1142 N LYS A 72 -13.753 -16.017 18.262 1.00 65.33 N ATOM 1143 CA LYS A 72 -13.138 -17.111 18.984 1.00 2.45 C ATOM 1144 C LYS A 72 -12.524 -16.662 20.287 1.00 53.12 C ATOM 1145 O LYS A 72 -11.697 -17.360 20.878 1.00 2.31 O ATOM 1146 CB LYS A 72 -12.052 -17.797 18.115 1.00 63.21 C ATOM 1147 CG LYS A 72 -12.592 -18.395 16.800 1.00 64.52 C ATOM 1148 CD LYS A 72 -13.712 -19.436 16.993 1.00 34.34 C ATOM 1149 CE LYS A 72 -13.339 -20.564 17.955 1.00 64.25 C ATOM 1150 NZ LYS A 72 -14.410 -21.577 18.011 1.00 30.22 N ATOM 0 H LYS A 72 -13.076 -15.482 17.718 1.00 65.33 H new ATOM 0 HA LYS A 72 -13.932 -17.822 19.211 1.00 2.45 H new ATOM 0 HB2 LYS A 72 -11.275 -17.069 17.880 1.00 63.21 H new ATOM 0 HB3 LYS A 72 -11.581 -18.589 18.697 1.00 63.21 H new ATOM 0 HG2 LYS A 72 -12.967 -17.586 16.173 1.00 64.52 H new ATOM 0 HG3 LYS A 72 -11.768 -18.861 16.260 1.00 64.52 H new ATOM 0 HD2 LYS A 72 -14.604 -18.933 17.365 1.00 34.34 H new ATOM 0 HD3 LYS A 72 -13.968 -19.865 16.025 1.00 34.34 H new ATOM 0 HE2 LYS A 72 -12.407 -21.030 17.633 1.00 64.25 H new ATOM 0 HE3 LYS A 72 -13.164 -20.157 18.951 1.00 64.25 H new ATOM 0 HZ1 LYS A 72 -14.366 -22.079 18.921 1.00 30.22 H new ATOM 0 HZ2 LYS A 72 -15.335 -21.110 17.918 1.00 30.22 H new ATOM 0 HZ3 LYS A 72 -14.286 -22.257 17.234 1.00 30.22 H new ATOM 1164 N ALA A 73 -12.941 -15.476 20.782 1.00 21.23 N ATOM 1165 CA ALA A 73 -12.338 -14.780 21.896 1.00 22.12 C ATOM 1166 C ALA A 73 -12.280 -15.588 23.152 1.00 73.52 C ATOM 1167 O ALA A 73 -11.250 -15.609 23.801 1.00 12.43 O ATOM 1168 CB ALA A 73 -13.116 -13.504 22.262 1.00 75.44 C ATOM 0 H ALA A 73 -13.737 -14.974 20.389 1.00 21.23 H new ATOM 0 HA ALA A 73 -11.330 -14.560 21.545 1.00 22.12 H new ATOM 0 HB1 ALA A 73 -12.630 -13.011 23.104 1.00 75.44 H new ATOM 0 HB2 ALA A 73 -13.132 -12.829 21.406 1.00 75.44 H new ATOM 0 HB3 ALA A 73 -14.138 -13.767 22.536 1.00 75.44 H new ATOM 1174 N MET A 74 -13.347 -16.320 23.518 1.00 14.14 N ATOM 1175 CA MET A 74 -13.345 -17.064 24.770 1.00 2.03 C ATOM 1176 C MET A 74 -12.243 -18.122 24.831 1.00 44.01 C ATOM 1177 O MET A 74 -11.613 -18.313 25.868 1.00 0.43 O ATOM 1178 CB MET A 74 -14.709 -17.741 25.051 1.00 45.44 C ATOM 1179 CG MET A 74 -15.833 -16.732 25.351 1.00 1.24 C ATOM 1180 SD MET A 74 -17.427 -17.515 25.741 1.00 41.42 S ATOM 1181 CE MET A 74 -18.259 -15.964 26.189 1.00 51.01 C ATOM 0 H MET A 74 -14.203 -16.406 22.970 1.00 14.14 H new ATOM 0 HA MET A 74 -13.150 -16.318 25.540 1.00 2.03 H new ATOM 0 HB2 MET A 74 -14.992 -18.346 24.190 1.00 45.44 H new ATOM 0 HB3 MET A 74 -14.603 -18.420 25.897 1.00 45.44 H new ATOM 0 HG2 MET A 74 -15.532 -16.103 26.189 1.00 1.24 H new ATOM 0 HG3 MET A 74 -15.961 -16.076 24.490 1.00 1.24 H new ATOM 0 HE1 MET A 74 -19.289 -16.174 26.478 1.00 51.01 H new ATOM 0 HE2 MET A 74 -17.736 -15.498 27.024 1.00 51.01 H new ATOM 0 HE3 MET A 74 -18.253 -15.288 25.334 1.00 51.01 H new ATOM 1191 N GLU A 75 -11.977 -18.816 23.701 1.00 20.52 N ATOM 1192 CA GLU A 75 -10.907 -19.803 23.608 1.00 31.25 C ATOM 1193 C GLU A 75 -9.519 -19.181 23.492 1.00 43.42 C ATOM 1194 O GLU A 75 -8.578 -19.583 24.175 1.00 15.31 O ATOM 1195 CB GLU A 75 -11.127 -20.756 22.401 1.00 31.35 C ATOM 1196 CG GLU A 75 -12.359 -21.682 22.571 1.00 10.14 C ATOM 1197 CD GLU A 75 -12.538 -22.649 21.397 1.00 31.32 C ATOM 1198 OE1 GLU A 75 -11.606 -23.460 21.159 1.00 1.14 O ATOM 1199 OE2 GLU A 75 -13.615 -22.597 20.746 1.00 73.32 O ATOM 0 H GLU A 75 -12.504 -18.699 22.836 1.00 20.52 H new ATOM 0 HA GLU A 75 -10.948 -20.361 24.543 1.00 31.25 H new ATOM 0 HB2 GLU A 75 -11.249 -20.162 21.495 1.00 31.35 H new ATOM 0 HB3 GLU A 75 -10.236 -21.369 22.263 1.00 31.35 H new ATOM 0 HG2 GLU A 75 -12.255 -22.253 23.494 1.00 10.14 H new ATOM 0 HG3 GLU A 75 -13.256 -21.071 22.673 1.00 10.14 H new ATOM 1206 N PHE A 76 -9.389 -18.151 22.632 1.00 63.34 N ATOM 1207 CA PHE A 76 -8.211 -17.334 22.404 1.00 5.41 C ATOM 1208 C PHE A 76 -7.749 -16.578 23.635 1.00 73.03 C ATOM 1209 O PHE A 76 -6.564 -16.581 23.955 1.00 33.44 O ATOM 1210 CB PHE A 76 -8.505 -16.397 21.199 1.00 43.30 C ATOM 1211 CG PHE A 76 -7.468 -15.327 20.974 1.00 65.33 C ATOM 1212 CD1 PHE A 76 -6.153 -15.557 20.543 1.00 41.44 C ATOM 1213 CD2 PHE A 76 -7.857 -14.018 21.258 1.00 63.24 C ATOM 1214 CE1 PHE A 76 -5.272 -14.475 20.366 1.00 60.41 C ATOM 1215 CE2 PHE A 76 -6.963 -12.958 21.169 1.00 63.12 C ATOM 1216 CZ PHE A 76 -5.667 -13.180 20.708 1.00 61.42 C ATOM 0 H PHE A 76 -10.169 -17.859 22.043 1.00 63.34 H new ATOM 0 HA PHE A 76 -7.369 -17.985 22.170 1.00 5.41 H new ATOM 0 HB2 PHE A 76 -8.587 -17.002 20.296 1.00 43.30 H new ATOM 0 HB3 PHE A 76 -9.473 -15.921 21.353 1.00 43.30 H new ATOM 0 HD1 PHE A 76 -5.817 -16.565 20.347 1.00 41.44 H new ATOM 0 HD2 PHE A 76 -8.877 -13.824 21.554 1.00 63.24 H new ATOM 0 HE1 PHE A 76 -4.285 -14.647 19.963 1.00 60.41 H new ATOM 0 HE2 PHE A 76 -7.272 -11.964 21.457 1.00 63.12 H new ATOM 0 HZ PHE A 76 -4.974 -12.357 20.616 1.00 61.42 H new ATOM 1226 N ALA A 77 -8.668 -15.944 24.390 1.00 73.14 N ATOM 1227 CA ALA A 77 -8.346 -15.196 25.585 1.00 22.10 C ATOM 1228 C ALA A 77 -7.625 -16.030 26.636 1.00 42.13 C ATOM 1229 O ALA A 77 -6.645 -15.585 27.234 1.00 14.22 O ATOM 1230 CB ALA A 77 -9.658 -14.633 26.156 1.00 30.41 C ATOM 0 H ALA A 77 -9.664 -15.947 24.169 1.00 73.14 H new ATOM 0 HA ALA A 77 -7.656 -14.396 25.316 1.00 22.10 H new ATOM 0 HB1 ALA A 77 -9.446 -14.063 27.060 1.00 30.41 H new ATOM 0 HB2 ALA A 77 -10.126 -13.982 25.418 1.00 30.41 H new ATOM 0 HB3 ALA A 77 -10.333 -15.455 26.395 1.00 30.41 H new ATOM 1236 N MET A 78 -8.065 -17.298 26.828 1.00 11.21 N ATOM 1237 CA MET A 78 -7.407 -18.260 27.693 1.00 53.25 C ATOM 1238 C MET A 78 -5.998 -18.638 27.256 1.00 43.11 C ATOM 1239 O MET A 78 -5.113 -18.805 28.094 1.00 24.22 O ATOM 1240 CB MET A 78 -8.269 -19.528 27.901 1.00 22.43 C ATOM 1241 CG MET A 78 -9.520 -19.241 28.761 1.00 73.34 C ATOM 1242 SD MET A 78 -10.468 -20.726 29.231 1.00 35.32 S ATOM 1243 CE MET A 78 -11.137 -21.170 27.603 1.00 11.45 C ATOM 0 H MET A 78 -8.899 -17.668 26.372 1.00 11.21 H new ATOM 0 HA MET A 78 -7.298 -17.744 28.647 1.00 53.25 H new ATOM 0 HB2 MET A 78 -8.577 -19.920 26.932 1.00 22.43 H new ATOM 0 HB3 MET A 78 -7.668 -20.300 28.381 1.00 22.43 H new ATOM 0 HG2 MET A 78 -9.211 -18.720 29.667 1.00 73.34 H new ATOM 0 HG3 MET A 78 -10.176 -18.565 28.212 1.00 73.34 H new ATOM 0 HE1 MET A 78 -12.226 -21.139 27.636 1.00 11.45 H new ATOM 0 HE2 MET A 78 -10.777 -20.462 26.856 1.00 11.45 H new ATOM 0 HE3 MET A 78 -10.810 -22.175 27.337 1.00 11.45 H new ATOM 1253 N LYS A 79 -5.727 -18.729 25.930 1.00 31.01 N ATOM 1254 CA LYS A 79 -4.390 -18.989 25.393 1.00 14.24 C ATOM 1255 C LYS A 79 -3.386 -17.899 25.778 1.00 73.52 C ATOM 1256 O LYS A 79 -2.190 -18.152 25.908 1.00 23.21 O ATOM 1257 CB LYS A 79 -4.399 -19.096 23.842 1.00 33.30 C ATOM 1258 CG LYS A 79 -5.148 -20.318 23.279 1.00 55.42 C ATOM 1259 CD LYS A 79 -4.415 -21.651 23.513 1.00 31.01 C ATOM 1260 CE LYS A 79 -5.088 -22.861 22.859 1.00 31.22 C ATOM 1261 NZ LYS A 79 -6.386 -23.136 23.505 1.00 41.54 N ATOM 0 H LYS A 79 -6.441 -18.622 25.209 1.00 31.01 H new ATOM 0 HA LYS A 79 -4.085 -19.939 25.832 1.00 14.24 H new ATOM 0 HB2 LYS A 79 -4.850 -18.192 23.433 1.00 33.30 H new ATOM 0 HB3 LYS A 79 -3.368 -19.126 23.489 1.00 33.30 H new ATOM 0 HG2 LYS A 79 -6.136 -20.371 23.737 1.00 55.42 H new ATOM 0 HG3 LYS A 79 -5.300 -20.179 22.209 1.00 55.42 H new ATOM 0 HD2 LYS A 79 -3.398 -21.565 23.131 1.00 31.01 H new ATOM 0 HD3 LYS A 79 -4.339 -21.828 24.586 1.00 31.01 H new ATOM 0 HE2 LYS A 79 -5.236 -22.673 21.796 1.00 31.22 H new ATOM 0 HE3 LYS A 79 -4.441 -23.734 22.941 1.00 31.22 H new ATOM 0 HZ1 LYS A 79 -6.832 -23.959 23.052 1.00 41.54 H new ATOM 0 HZ2 LYS A 79 -6.236 -23.336 24.515 1.00 41.54 H new ATOM 0 HZ3 LYS A 79 -7.006 -22.307 23.404 1.00 41.54 H new ATOM 1275 N HIS A 80 -3.876 -16.660 25.990 1.00 45.21 N ATOM 1276 CA HIS A 80 -3.101 -15.491 26.357 1.00 60.15 C ATOM 1277 C HIS A 80 -3.061 -15.205 27.840 1.00 32.12 C ATOM 1278 O HIS A 80 -2.632 -14.132 28.262 1.00 11.04 O ATOM 1279 CB HIS A 80 -3.610 -14.275 25.570 1.00 54.42 C ATOM 1280 CG HIS A 80 -3.202 -14.424 24.128 1.00 1.33 C ATOM 1281 ND1 HIS A 80 -1.925 -14.139 23.722 1.00 75.54 N ATOM 1282 CD2 HIS A 80 -3.772 -15.144 23.138 1.00 35.23 C ATOM 1283 CE1 HIS A 80 -1.729 -14.667 22.527 1.00 54.12 C ATOM 1284 NE2 HIS A 80 -2.830 -15.291 22.156 1.00 61.04 N ATOM 0 H HIS A 80 -4.871 -16.454 25.902 1.00 45.21 H new ATOM 0 HA HIS A 80 -2.066 -15.707 26.091 1.00 60.15 H new ATOM 0 HB2 HIS A 80 -4.695 -14.201 25.650 1.00 54.42 H new ATOM 0 HB3 HIS A 80 -3.197 -13.356 25.986 1.00 54.42 H new ATOM 0 HD2 HIS A 80 -4.780 -15.531 23.124 1.00 35.23 H new ATOM 0 HE1 HIS A 80 -0.819 -14.599 21.950 1.00 54.12 H new ATOM 0 HE2 HIS A 80 -2.958 -15.800 21.281 1.00 61.04 H new ATOM 1293 N GLY A 81 -3.455 -16.180 28.686 1.00 4.05 N ATOM 1294 CA GLY A 81 -3.182 -16.117 30.114 1.00 31.13 C ATOM 1295 C GLY A 81 -4.320 -15.586 30.924 1.00 51.33 C ATOM 1296 O GLY A 81 -4.247 -15.561 32.150 1.00 33.41 O ATOM 0 H GLY A 81 -3.962 -17.015 28.393 1.00 4.05 H new ATOM 0 HA2 GLY A 81 -2.930 -17.116 30.470 1.00 31.13 H new ATOM 0 HA3 GLY A 81 -2.307 -15.489 30.279 1.00 31.13 H new ATOM 1300 N ALA A 82 -5.430 -15.176 30.276 1.00 2.21 N ATOM 1301 CA ALA A 82 -6.670 -14.953 30.997 1.00 74.33 C ATOM 1302 C ALA A 82 -7.250 -16.260 31.553 1.00 65.32 C ATOM 1303 O ALA A 82 -7.178 -17.315 30.929 1.00 32.45 O ATOM 1304 CB ALA A 82 -7.716 -14.283 30.086 1.00 32.54 C ATOM 0 H ALA A 82 -5.480 -14.999 29.273 1.00 2.21 H new ATOM 0 HA ALA A 82 -6.436 -14.295 31.834 1.00 74.33 H new ATOM 0 HB1 ALA A 82 -8.638 -14.125 30.646 1.00 32.54 H new ATOM 0 HB2 ALA A 82 -7.334 -13.324 29.738 1.00 32.54 H new ATOM 0 HB3 ALA A 82 -7.918 -14.926 29.229 1.00 32.54 H new ATOM 1310 N ASP A 83 -7.862 -16.235 32.761 1.00 5.44 N ATOM 1311 CA ASP A 83 -8.610 -17.378 33.261 1.00 14.31 C ATOM 1312 C ASP A 83 -9.995 -17.358 32.630 1.00 55.11 C ATOM 1313 O ASP A 83 -10.379 -16.388 31.982 1.00 34.24 O ATOM 1314 CB ASP A 83 -8.743 -17.370 34.804 1.00 70.25 C ATOM 1315 CG ASP A 83 -7.367 -17.463 35.456 1.00 13.23 C ATOM 1316 OD1 ASP A 83 -6.993 -16.488 36.157 1.00 42.35 O ATOM 1317 OD2 ASP A 83 -6.708 -18.519 35.285 1.00 14.21 O ATOM 0 H ASP A 83 -7.844 -15.434 33.392 1.00 5.44 H new ATOM 0 HA ASP A 83 -8.067 -18.284 32.993 1.00 14.31 H new ATOM 0 HB2 ASP A 83 -9.245 -16.458 35.128 1.00 70.25 H new ATOM 0 HB3 ASP A 83 -9.363 -18.207 35.126 1.00 70.25 H new ATOM 1322 N GLU A 84 -10.801 -18.428 32.812 1.00 64.23 N ATOM 1323 CA GLU A 84 -12.088 -18.570 32.137 1.00 73.34 C ATOM 1324 C GLU A 84 -13.090 -17.502 32.550 1.00 4.32 C ATOM 1325 O GLU A 84 -13.884 -17.012 31.751 1.00 62.10 O ATOM 1326 CB GLU A 84 -12.684 -19.995 32.338 1.00 23.43 C ATOM 1327 CG GLU A 84 -13.048 -20.376 33.793 1.00 40.20 C ATOM 1328 CD GLU A 84 -13.567 -21.812 33.908 1.00 4.14 C ATOM 1329 OE1 GLU A 84 -12.897 -22.615 34.608 1.00 12.34 O ATOM 1330 OE2 GLU A 84 -14.636 -22.105 33.314 1.00 42.13 O ATOM 0 H GLU A 84 -10.570 -19.207 33.429 1.00 64.23 H new ATOM 0 HA GLU A 84 -11.891 -18.428 31.074 1.00 73.34 H new ATOM 0 HB2 GLU A 84 -13.581 -20.083 31.725 1.00 23.43 H new ATOM 0 HB3 GLU A 84 -11.967 -20.724 31.960 1.00 23.43 H new ATOM 0 HG2 GLU A 84 -12.169 -20.258 34.427 1.00 40.20 H new ATOM 0 HG3 GLU A 84 -13.806 -19.688 34.167 1.00 40.20 H new ATOM 1337 N ALA A 85 -13.009 -17.087 33.830 1.00 71.32 N ATOM 1338 CA ALA A 85 -13.738 -15.987 34.415 1.00 23.12 C ATOM 1339 C ALA A 85 -13.327 -14.640 33.837 1.00 10.45 C ATOM 1340 O ALA A 85 -14.152 -13.793 33.507 1.00 12.10 O ATOM 1341 CB ALA A 85 -13.508 -16.005 35.938 1.00 71.24 C ATOM 0 H ALA A 85 -12.396 -17.546 34.504 1.00 71.32 H new ATOM 0 HA ALA A 85 -14.795 -16.114 34.182 1.00 23.12 H new ATOM 0 HB1 ALA A 85 -14.052 -15.180 36.398 1.00 71.24 H new ATOM 0 HB2 ALA A 85 -13.866 -16.949 36.349 1.00 71.24 H new ATOM 0 HB3 ALA A 85 -12.443 -15.899 36.146 1.00 71.24 H new ATOM 1347 N MET A 86 -12.003 -14.420 33.688 1.00 14.54 N ATOM 1348 CA MET A 86 -11.435 -13.193 33.180 1.00 24.44 C ATOM 1349 C MET A 86 -11.677 -13.030 31.687 1.00 42.31 C ATOM 1350 O MET A 86 -11.902 -11.928 31.192 1.00 43.25 O ATOM 1351 CB MET A 86 -9.924 -13.116 33.460 1.00 32.35 C ATOM 1352 CG MET A 86 -9.549 -13.175 34.957 1.00 22.32 C ATOM 1353 SD MET A 86 -10.460 -12.058 36.058 1.00 31.04 S ATOM 1354 CE MET A 86 -9.460 -12.437 37.523 1.00 50.34 C ATOM 0 H MET A 86 -11.300 -15.118 33.928 1.00 14.54 H new ATOM 0 HA MET A 86 -11.939 -12.381 33.705 1.00 24.44 H new ATOM 0 HB2 MET A 86 -9.428 -13.937 32.941 1.00 32.35 H new ATOM 0 HB3 MET A 86 -9.535 -12.190 33.037 1.00 32.35 H new ATOM 0 HG2 MET A 86 -9.697 -14.197 35.307 1.00 22.32 H new ATOM 0 HG3 MET A 86 -8.485 -12.957 35.052 1.00 22.32 H new ATOM 0 HE1 MET A 86 -9.825 -11.860 38.372 1.00 50.34 H new ATOM 0 HE2 MET A 86 -9.534 -13.501 37.749 1.00 50.34 H new ATOM 0 HE3 MET A 86 -8.419 -12.178 37.330 1.00 50.34 H new ATOM 1364 N ALA A 87 -11.643 -14.153 30.935 1.00 44.42 N ATOM 1365 CA ALA A 87 -11.923 -14.219 29.515 1.00 64.25 C ATOM 1366 C ALA A 87 -13.318 -13.723 29.160 1.00 34.42 C ATOM 1367 O ALA A 87 -13.488 -12.912 28.250 1.00 4.13 O ATOM 1368 CB ALA A 87 -11.783 -15.683 29.048 1.00 70.43 C ATOM 0 H ALA A 87 -11.409 -15.063 31.332 1.00 44.42 H new ATOM 0 HA ALA A 87 -11.209 -13.567 29.013 1.00 64.25 H new ATOM 0 HB1 ALA A 87 -11.992 -15.746 27.980 1.00 70.43 H new ATOM 0 HB2 ALA A 87 -10.768 -16.031 29.241 1.00 70.43 H new ATOM 0 HB3 ALA A 87 -12.490 -16.308 29.593 1.00 70.43 H new ATOM 1374 N LYS A 88 -14.346 -14.166 29.921 1.00 52.43 N ATOM 1375 CA LYS A 88 -15.716 -13.720 29.755 1.00 10.53 C ATOM 1376 C LYS A 88 -15.945 -12.347 30.352 1.00 21.42 C ATOM 1377 O LYS A 88 -16.816 -11.614 29.894 1.00 31.54 O ATOM 1378 CB LYS A 88 -16.758 -14.757 30.280 1.00 45.00 C ATOM 1379 CG LYS A 88 -16.782 -15.084 31.788 1.00 34.44 C ATOM 1380 CD LYS A 88 -17.656 -14.171 32.677 1.00 42.04 C ATOM 1381 CE LYS A 88 -19.165 -14.196 32.401 1.00 23.42 C ATOM 1382 NZ LYS A 88 -19.731 -15.524 32.710 1.00 45.13 N ATOM 0 H LYS A 88 -14.228 -14.849 30.669 1.00 52.43 H new ATOM 0 HA LYS A 88 -15.876 -13.637 28.680 1.00 10.53 H new ATOM 0 HB2 LYS A 88 -17.750 -14.398 30.004 1.00 45.00 H new ATOM 0 HB3 LYS A 88 -16.595 -15.691 29.742 1.00 45.00 H new ATOM 0 HG2 LYS A 88 -17.128 -16.111 31.909 1.00 34.44 H new ATOM 0 HG3 LYS A 88 -15.759 -15.046 32.162 1.00 34.44 H new ATOM 0 HD2 LYS A 88 -17.494 -14.451 33.718 1.00 42.04 H new ATOM 0 HD3 LYS A 88 -17.304 -13.145 32.564 1.00 42.04 H new ATOM 0 HE2 LYS A 88 -19.662 -13.435 33.002 1.00 23.42 H new ATOM 0 HE3 LYS A 88 -19.353 -13.950 31.356 1.00 23.42 H new ATOM 0 HZ1 LYS A 88 -20.756 -15.514 32.533 1.00 45.13 H new ATOM 0 HZ2 LYS A 88 -19.282 -16.242 32.106 1.00 45.13 H new ATOM 0 HZ3 LYS A 88 -19.555 -15.752 33.709 1.00 45.13 H new ATOM 1396 N GLN A 89 -15.130 -11.920 31.347 1.00 64.13 N ATOM 1397 CA GLN A 89 -15.137 -10.569 31.864 1.00 22.13 C ATOM 1398 C GLN A 89 -14.801 -9.504 30.848 1.00 12.45 C ATOM 1399 O GLN A 89 -15.482 -8.484 30.817 1.00 11.12 O ATOM 1400 CB GLN A 89 -14.225 -10.414 33.105 1.00 62.33 C ATOM 1401 CG GLN A 89 -14.157 -8.962 33.632 1.00 14.45 C ATOM 1402 CD GLN A 89 -13.624 -8.854 35.058 1.00 23.44 C ATOM 1403 OE1 GLN A 89 -14.275 -8.305 35.949 1.00 71.22 O ATOM 1404 NE2 GLN A 89 -12.402 -9.392 35.288 1.00 41.00 N ATOM 0 H GLN A 89 -14.449 -12.526 31.805 1.00 64.13 H new ATOM 0 HA GLN A 89 -16.175 -10.406 32.155 1.00 22.13 H new ATOM 0 HB2 GLN A 89 -14.589 -11.066 33.899 1.00 62.33 H new ATOM 0 HB3 GLN A 89 -13.219 -10.750 32.853 1.00 62.33 H new ATOM 0 HG2 GLN A 89 -13.522 -8.373 32.970 1.00 14.45 H new ATOM 0 HG3 GLN A 89 -15.154 -8.522 33.591 1.00 14.45 H new ATOM 0 HE21 GLN A 89 -11.890 -9.839 34.527 1.00 41.00 H new ATOM 0 HE22 GLN A 89 -11.994 -9.350 36.222 1.00 41.00 H new ATOM 1413 N LEU A 90 -13.800 -9.683 29.954 1.00 23.33 N ATOM 1414 CA LEU A 90 -13.521 -8.712 28.934 1.00 10.13 C ATOM 1415 C LEU A 90 -14.689 -8.538 27.967 1.00 72.52 C ATOM 1416 O LEU A 90 -15.092 -7.426 27.628 1.00 11.13 O ATOM 1417 CB LEU A 90 -12.233 -9.136 28.203 1.00 25.11 C ATOM 1418 CG LEU A 90 -10.908 -9.105 29.012 1.00 23.41 C ATOM 1419 CD1 LEU A 90 -9.733 -9.504 28.098 1.00 30.30 C ATOM 1420 CD2 LEU A 90 -10.586 -7.778 29.727 1.00 14.11 C ATOM 0 H LEU A 90 -13.187 -10.498 29.940 1.00 23.33 H new ATOM 0 HA LEU A 90 -13.377 -7.736 29.397 1.00 10.13 H new ATOM 0 HB2 LEU A 90 -12.376 -10.150 27.830 1.00 25.11 H new ATOM 0 HB3 LEU A 90 -12.112 -8.490 27.333 1.00 25.11 H new ATOM 0 HG LEU A 90 -11.054 -9.825 29.817 1.00 23.41 H new ATOM 0 HD11 LEU A 90 -8.804 -9.481 28.668 1.00 30.30 H new ATOM 0 HD12 LEU A 90 -9.897 -10.510 27.712 1.00 30.30 H new ATOM 0 HD13 LEU A 90 -9.665 -8.803 27.266 1.00 30.30 H new ATOM 0 HD21 LEU A 90 -9.639 -7.872 30.259 1.00 14.11 H new ATOM 0 HD22 LEU A 90 -10.511 -6.977 28.991 1.00 14.11 H new ATOM 0 HD23 LEU A 90 -11.380 -7.545 30.437 1.00 14.11 H new ATOM 1432 N LEU A 91 -15.323 -9.651 27.565 1.00 12.11 N ATOM 1433 CA LEU A 91 -16.537 -9.645 26.774 1.00 64.45 C ATOM 1434 C LEU A 91 -17.717 -9.009 27.529 1.00 34.11 C ATOM 1435 O LEU A 91 -18.477 -8.223 26.966 1.00 4.13 O ATOM 1436 CB LEU A 91 -16.808 -11.102 26.320 1.00 52.14 C ATOM 1437 CG LEU A 91 -15.747 -11.621 25.315 1.00 3.54 C ATOM 1438 CD1 LEU A 91 -15.521 -13.132 25.427 1.00 43.25 C ATOM 1439 CD2 LEU A 91 -16.154 -11.288 23.878 1.00 44.12 C ATOM 0 H LEU A 91 -14.991 -10.589 27.791 1.00 12.11 H new ATOM 0 HA LEU A 91 -16.414 -9.016 25.892 1.00 64.45 H new ATOM 0 HB2 LEU A 91 -16.825 -11.754 27.194 1.00 52.14 H new ATOM 0 HB3 LEU A 91 -17.795 -11.158 25.862 1.00 52.14 H new ATOM 0 HG LEU A 91 -14.814 -11.117 25.568 1.00 3.54 H new ATOM 0 HD11 LEU A 91 -14.769 -13.442 24.701 1.00 43.25 H new ATOM 0 HD12 LEU A 91 -15.177 -13.375 26.432 1.00 43.25 H new ATOM 0 HD13 LEU A 91 -16.456 -13.656 25.227 1.00 43.25 H new ATOM 0 HD21 LEU A 91 -15.396 -11.661 23.189 1.00 44.12 H new ATOM 0 HD22 LEU A 91 -17.111 -11.758 23.653 1.00 44.12 H new ATOM 0 HD23 LEU A 91 -16.245 -10.208 23.767 1.00 44.12 H new ATOM 1451 N ASP A 92 -17.868 -9.287 28.850 1.00 3.25 N ATOM 1452 CA ASP A 92 -18.860 -8.675 29.723 1.00 2.24 C ATOM 1453 C ASP A 92 -18.653 -7.165 29.884 1.00 74.31 C ATOM 1454 O ASP A 92 -19.620 -6.413 29.808 1.00 54.13 O ATOM 1455 CB ASP A 92 -18.856 -9.394 31.104 1.00 74.43 C ATOM 1456 CG ASP A 92 -20.009 -8.972 32.013 1.00 31.41 C ATOM 1457 OD1 ASP A 92 -21.181 -9.182 31.607 1.00 31.51 O ATOM 1458 OD2 ASP A 92 -19.721 -8.456 33.123 1.00 11.31 O ATOM 0 H ASP A 92 -17.279 -9.964 29.334 1.00 3.25 H new ATOM 0 HA ASP A 92 -19.837 -8.798 29.255 1.00 2.24 H new ATOM 0 HB2 ASP A 92 -18.905 -10.471 30.944 1.00 74.43 H new ATOM 0 HB3 ASP A 92 -17.912 -9.189 31.609 1.00 74.43 H new ATOM 1463 N ILE A 93 -17.394 -6.679 30.059 1.00 73.53 N ATOM 1464 CA ILE A 93 -17.053 -5.252 30.120 1.00 4.41 C ATOM 1465 C ILE A 93 -17.461 -4.561 28.848 1.00 21.50 C ATOM 1466 O ILE A 93 -18.081 -3.502 28.885 1.00 25.41 O ATOM 1467 CB ILE A 93 -15.555 -4.969 30.287 1.00 43.03 C ATOM 1468 CG1 ILE A 93 -15.011 -5.347 31.680 1.00 40.03 C ATOM 1469 CG2 ILE A 93 -15.205 -3.493 29.982 1.00 70.22 C ATOM 1470 CD1 ILE A 93 -13.472 -5.371 31.762 1.00 23.32 C ATOM 0 H ILE A 93 -16.582 -7.288 30.162 1.00 73.53 H new ATOM 0 HA ILE A 93 -17.586 -4.883 30.996 1.00 4.41 H new ATOM 0 HB ILE A 93 -15.067 -5.612 29.555 1.00 43.03 H new ATOM 0 HG12 ILE A 93 -15.393 -4.638 32.414 1.00 40.03 H new ATOM 0 HG13 ILE A 93 -15.395 -6.329 31.956 1.00 40.03 H new ATOM 0 HG21 ILE A 93 -14.134 -3.338 30.113 1.00 70.22 H new ATOM 0 HG22 ILE A 93 -15.482 -3.258 28.954 1.00 70.22 H new ATOM 0 HG23 ILE A 93 -15.752 -2.841 30.663 1.00 70.22 H new ATOM 0 HD11 ILE A 93 -13.166 -5.645 32.772 1.00 23.32 H new ATOM 0 HD12 ILE A 93 -13.081 -6.101 31.054 1.00 23.32 H new ATOM 0 HD13 ILE A 93 -13.079 -4.384 31.519 1.00 23.32 H new ATOM 1482 N LYS A 94 -17.157 -5.173 27.684 1.00 63.10 N ATOM 1483 CA LYS A 94 -17.494 -4.618 26.398 1.00 71.22 C ATOM 1484 C LYS A 94 -18.965 -4.396 26.259 1.00 12.31 C ATOM 1485 O LYS A 94 -19.411 -3.268 26.089 1.00 41.45 O ATOM 1486 CB LYS A 94 -17.049 -5.592 25.272 1.00 0.23 C ATOM 1487 CG LYS A 94 -17.618 -5.196 23.908 1.00 61.33 C ATOM 1488 CD LYS A 94 -17.234 -6.044 22.693 1.00 24.45 C ATOM 1489 CE LYS A 94 -18.041 -5.482 21.530 1.00 50.10 C ATOM 1490 NZ LYS A 94 -17.406 -5.710 20.225 1.00 0.34 N ATOM 0 H LYS A 94 -16.670 -6.067 27.632 1.00 63.10 H new ATOM 0 HA LYS A 94 -16.979 -3.661 26.315 1.00 71.22 H new ATOM 0 HB2 LYS A 94 -15.960 -5.610 25.218 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -17.373 -6.603 25.519 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -18.705 -5.199 23.987 1.00 61.33 H new ATOM 0 HG3 LYS A 94 -17.316 -4.168 23.706 1.00 61.33 H new ATOM 0 HD2 LYS A 94 -16.164 -5.982 22.494 1.00 24.45 H new ATOM 0 HD3 LYS A 94 -17.467 -7.096 22.860 1.00 24.45 H new ATOM 0 HE2 LYS A 94 -19.032 -5.937 21.530 1.00 50.10 H new ATOM 0 HE3 LYS A 94 -18.182 -4.411 21.677 1.00 50.10 H new ATOM 0 HZ1 LYS A 94 -17.717 -4.978 19.555 1.00 0.34 H new ATOM 0 HZ2 LYS A 94 -16.372 -5.667 20.330 1.00 0.34 H new ATOM 0 HZ3 LYS A 94 -17.678 -6.647 19.865 1.00 0.34 H new ATOM 1504 N HIS A 95 -19.766 -5.450 26.446 1.00 41.41 N ATOM 1505 CA HIS A 95 -21.185 -5.424 26.220 1.00 21.44 C ATOM 1506 C HIS A 95 -21.849 -4.489 27.224 1.00 64.41 C ATOM 1507 O HIS A 95 -22.825 -3.810 26.912 1.00 3.34 O ATOM 1508 CB HIS A 95 -21.749 -6.852 26.324 1.00 4.04 C ATOM 1509 CG HIS A 95 -21.273 -7.779 25.236 1.00 33.52 C ATOM 1510 ND1 HIS A 95 -21.539 -9.120 25.273 1.00 63.51 N ATOM 1511 CD2 HIS A 95 -20.504 -7.564 24.144 1.00 34.45 C ATOM 1512 CE1 HIS A 95 -20.949 -9.701 24.244 1.00 31.20 C ATOM 1513 NE2 HIS A 95 -20.311 -8.780 23.545 1.00 25.21 N ATOM 0 H HIS A 95 -19.423 -6.356 26.765 1.00 41.41 H new ATOM 0 HA HIS A 95 -21.395 -5.047 25.219 1.00 21.44 H new ATOM 0 HB2 HIS A 95 -21.472 -7.271 27.291 1.00 4.04 H new ATOM 0 HB3 HIS A 95 -22.838 -6.805 26.297 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -20.116 -6.614 23.808 1.00 34.45 H new ATOM 0 HE1 HIS A 95 -20.983 -10.755 24.012 1.00 31.20 H new ATOM 0 HE2 HIS A 95 -19.765 -8.947 22.700 1.00 25.21 H new ATOM 1522 N SER A 96 -21.285 -4.412 28.458 1.00 30.23 N ATOM 1523 CA SER A 96 -21.719 -3.491 29.506 1.00 51.23 C ATOM 1524 C SER A 96 -21.481 -2.038 29.152 1.00 32.24 C ATOM 1525 O SER A 96 -22.293 -1.154 29.390 1.00 34.21 O ATOM 1526 CB SER A 96 -20.991 -3.814 30.833 1.00 61.45 C ATOM 1527 OG SER A 96 -21.466 -3.049 31.941 1.00 41.45 O ATOM 0 H SER A 96 -20.504 -5.004 28.743 1.00 30.23 H new ATOM 0 HA SER A 96 -22.794 -3.631 29.615 1.00 51.23 H new ATOM 0 HB2 SER A 96 -21.110 -4.874 31.055 1.00 61.45 H new ATOM 0 HB3 SER A 96 -19.924 -3.633 30.707 1.00 61.45 H new ATOM 0 HG SER A 96 -20.969 -3.299 32.748 1.00 41.45 H new ATOM 1533 N CYS A 97 -20.317 -1.755 28.561 1.00 63.32 N ATOM 1534 CA CYS A 97 -19.958 -0.467 28.023 1.00 62.15 C ATOM 1535 C CYS A 97 -20.758 -0.048 26.812 1.00 42.23 C ATOM 1536 O CYS A 97 -21.068 1.129 26.658 1.00 35.20 O ATOM 1537 CB CYS A 97 -18.448 -0.383 27.756 1.00 71.10 C ATOM 1538 SG CYS A 97 -17.455 -0.030 29.227 1.00 14.34 S ATOM 0 H CYS A 97 -19.581 -2.452 28.447 1.00 63.32 H new ATOM 0 HA CYS A 97 -20.221 0.254 28.797 1.00 62.15 H new ATOM 0 HB2 CYS A 97 -18.114 -1.326 27.323 1.00 71.10 H new ATOM 0 HB3 CYS A 97 -18.264 0.392 27.012 1.00 71.10 H new ATOM 1543 N GLU A 98 -21.151 -0.998 25.934 1.00 4.43 N ATOM 1544 CA GLU A 98 -21.831 -0.745 24.669 1.00 64.23 C ATOM 1545 C GLU A 98 -23.145 -0.024 24.890 1.00 41.50 C ATOM 1546 O GLU A 98 -23.592 0.754 24.055 1.00 54.33 O ATOM 1547 CB GLU A 98 -22.192 -2.035 23.876 1.00 73.53 C ATOM 1548 CG GLU A 98 -20.998 -2.883 23.392 1.00 72.12 C ATOM 1549 CD GLU A 98 -21.421 -3.918 22.349 1.00 3.34 C ATOM 1550 OE1 GLU A 98 -22.147 -4.873 22.730 1.00 62.20 O ATOM 1551 OE2 GLU A 98 -21.026 -3.752 21.167 1.00 23.15 O ATOM 0 H GLU A 98 -20.993 -1.991 26.104 1.00 4.43 H new ATOM 0 HA GLU A 98 -21.116 -0.151 24.100 1.00 64.23 H new ATOM 0 HB2 GLU A 98 -22.826 -2.660 24.505 1.00 73.53 H new ATOM 0 HB3 GLU A 98 -22.787 -1.750 23.008 1.00 73.53 H new ATOM 0 HG2 GLU A 98 -20.237 -2.229 22.967 1.00 72.12 H new ATOM 0 HG3 GLU A 98 -20.544 -3.390 24.243 1.00 72.12 H new ATOM 1558 N LYS A 99 -23.801 -0.311 26.031 1.00 33.24 N ATOM 1559 CA LYS A 99 -25.111 0.224 26.339 1.00 12.21 C ATOM 1560 C LYS A 99 -25.026 1.600 26.983 1.00 5.03 C ATOM 1561 O LYS A 99 -26.008 2.340 26.985 1.00 42.20 O ATOM 1562 CB LYS A 99 -25.909 -0.770 27.229 1.00 3.15 C ATOM 1563 CG LYS A 99 -25.437 -0.881 28.685 1.00 5.30 C ATOM 1564 CD LYS A 99 -25.585 -2.285 29.299 1.00 71.34 C ATOM 1565 CE LYS A 99 -27.030 -2.769 29.408 1.00 12.12 C ATOM 1566 NZ LYS A 99 -27.062 -4.088 30.072 1.00 31.25 N ATOM 0 H LYS A 99 -23.424 -0.922 26.756 1.00 33.24 H new ATOM 0 HA LYS A 99 -25.648 0.349 25.399 1.00 12.21 H new ATOM 0 HB2 LYS A 99 -26.957 -0.471 27.227 1.00 3.15 H new ATOM 0 HB3 LYS A 99 -25.859 -1.759 26.773 1.00 3.15 H new ATOM 0 HG2 LYS A 99 -24.390 -0.584 28.738 1.00 5.30 H new ATOM 0 HG3 LYS A 99 -26.000 -0.172 29.291 1.00 5.30 H new ATOM 0 HD2 LYS A 99 -25.020 -2.995 28.695 1.00 71.34 H new ATOM 0 HD3 LYS A 99 -25.137 -2.284 30.293 1.00 71.34 H new ATOM 0 HE2 LYS A 99 -27.623 -2.051 29.975 1.00 12.12 H new ATOM 0 HE3 LYS A 99 -27.477 -2.839 28.416 1.00 12.12 H new ATOM 0 HZ1 LYS A 99 -28.046 -4.416 30.145 1.00 31.25 H new ATOM 0 HZ2 LYS A 99 -26.510 -4.771 29.514 1.00 31.25 H new ATOM 0 HZ3 LYS A 99 -26.652 -4.007 31.024 1.00 31.25 H new ATOM 1580 N VAL A 100 -23.848 1.982 27.553 1.00 41.25 N ATOM 1581 CA VAL A 100 -23.687 3.233 28.271 1.00 10.10 C ATOM 1582 C VAL A 100 -23.016 4.282 27.408 1.00 55.34 C ATOM 1583 O VAL A 100 -23.259 5.478 27.562 1.00 65.20 O ATOM 1584 CB VAL A 100 -22.913 3.083 29.582 1.00 73.42 C ATOM 1585 CG1 VAL A 100 -23.679 2.092 30.468 1.00 51.13 C ATOM 1586 CG2 VAL A 100 -21.460 2.625 29.414 1.00 53.31 C ATOM 0 H VAL A 100 -22.999 1.417 27.515 1.00 41.25 H new ATOM 0 HA VAL A 100 -24.698 3.556 28.521 1.00 10.10 H new ATOM 0 HB VAL A 100 -22.846 4.072 30.036 1.00 73.42 H new ATOM 0 HG11 VAL A 100 -23.150 1.964 31.412 1.00 51.13 H new ATOM 0 HG12 VAL A 100 -24.680 2.476 30.662 1.00 51.13 H new ATOM 0 HG13 VAL A 100 -23.752 1.130 29.960 1.00 51.13 H new ATOM 0 HG21 VAL A 100 -20.988 2.546 30.393 1.00 53.31 H new ATOM 0 HG22 VAL A 100 -21.440 1.653 28.921 1.00 53.31 H new ATOM 0 HG23 VAL A 100 -20.918 3.350 28.808 1.00 53.31 H new ATOM 1596 N ILE A 101 -22.153 3.852 26.463 1.00 61.52 N ATOM 1597 CA ILE A 101 -21.512 4.742 25.505 1.00 52.33 C ATOM 1598 C ILE A 101 -22.432 5.303 24.437 1.00 0.12 C ATOM 1599 O ILE A 101 -23.447 4.720 24.058 1.00 54.41 O ATOM 1600 CB ILE A 101 -20.320 4.129 24.794 1.00 62.05 C ATOM 1601 CG1 ILE A 101 -20.677 2.861 23.989 1.00 12.10 C ATOM 1602 CG2 ILE A 101 -19.190 3.875 25.806 1.00 34.24 C ATOM 1603 CD1 ILE A 101 -20.070 2.873 22.592 1.00 70.40 C ATOM 0 H ILE A 101 -21.889 2.873 26.353 1.00 61.52 H new ATOM 0 HA ILE A 101 -21.183 5.555 26.153 1.00 52.33 H new ATOM 0 HB ILE A 101 -19.973 4.846 24.050 1.00 62.05 H new ATOM 0 HG12 ILE A 101 -20.326 1.981 24.528 1.00 12.10 H new ATOM 0 HG13 ILE A 101 -21.761 2.776 23.911 1.00 12.10 H new ATOM 0 HG21 ILE A 101 -18.335 3.435 25.293 1.00 34.24 H new ATOM 0 HG22 ILE A 101 -18.892 4.819 26.264 1.00 34.24 H new ATOM 0 HG23 ILE A 101 -19.541 3.192 26.579 1.00 34.24 H new ATOM 0 HD11 ILE A 101 -20.350 1.960 22.066 1.00 70.40 H new ATOM 0 HD12 ILE A 101 -20.441 3.738 22.041 1.00 70.40 H new ATOM 0 HD13 ILE A 101 -18.984 2.930 22.668 1.00 70.40 H new ATOM 1615 N THR A 102 -22.052 6.477 23.881 1.00 23.10 N ATOM 1616 CA THR A 102 -22.627 6.973 22.640 1.00 52.32 C ATOM 1617 C THR A 102 -22.266 6.110 21.454 1.00 50.41 C ATOM 1618 O THR A 102 -21.098 5.859 21.157 1.00 44.42 O ATOM 1619 CB THR A 102 -22.275 8.427 22.330 1.00 22.54 C ATOM 1620 OG1 THR A 102 -22.788 9.278 23.344 1.00 51.52 O ATOM 1621 CG2 THR A 102 -22.813 8.900 20.961 1.00 1.32 C ATOM 0 H THR A 102 -21.345 7.090 24.286 1.00 23.10 H new ATOM 0 HA THR A 102 -23.703 6.924 22.808 1.00 52.32 H new ATOM 0 HB THR A 102 -21.187 8.480 22.294 1.00 22.54 H new ATOM 0 HG1 THR A 102 -22.557 10.208 23.139 1.00 51.52 H new ATOM 0 HG21 THR A 102 -22.531 9.940 20.799 1.00 1.32 H new ATOM 0 HG22 THR A 102 -22.389 8.281 20.170 1.00 1.32 H new ATOM 0 HG23 THR A 102 -23.899 8.813 20.947 1.00 1.32 H new ATOM 1629 N ILE A 103 -23.322 5.691 20.732 1.00 10.44 N ATOM 1630 CA ILE A 103 -23.341 4.921 19.531 1.00 21.02 C ATOM 1631 C ILE A 103 -23.843 5.871 18.509 1.00 73.22 C ATOM 1632 O ILE A 103 -24.830 6.576 18.720 1.00 43.33 O ATOM 1633 CB ILE A 103 -24.268 3.723 19.558 1.00 51.21 C ATOM 1634 CG1 ILE A 103 -23.801 2.760 20.665 1.00 14.30 C ATOM 1635 CG2 ILE A 103 -24.416 3.065 18.156 1.00 74.10 C ATOM 1636 CD1 ILE A 103 -24.688 1.531 20.798 1.00 3.24 C ATOM 0 H ILE A 103 -24.270 5.922 21.030 1.00 10.44 H new ATOM 0 HA ILE A 103 -22.348 4.508 19.351 1.00 21.02 H new ATOM 0 HB ILE A 103 -25.281 4.041 19.805 1.00 51.21 H new ATOM 0 HG12 ILE A 103 -22.779 2.443 20.456 1.00 14.30 H new ATOM 0 HG13 ILE A 103 -23.781 3.291 21.616 1.00 14.30 H new ATOM 0 HG21 ILE A 103 -25.090 2.211 18.224 1.00 74.10 H new ATOM 0 HG22 ILE A 103 -24.823 3.793 17.454 1.00 74.10 H new ATOM 0 HG23 ILE A 103 -23.439 2.730 17.806 1.00 74.10 H new ATOM 0 HD11 ILE A 103 -24.307 0.892 21.594 1.00 3.24 H new ATOM 0 HD12 ILE A 103 -25.705 1.841 21.037 1.00 3.24 H new ATOM 0 HD13 ILE A 103 -24.688 0.979 19.858 1.00 3.24 H new ATOM 1648 N VAL A 104 -23.152 5.916 17.372 1.00 71.00 N ATOM 1649 CA VAL A 104 -23.554 6.765 16.298 1.00 73.23 C ATOM 1650 C VAL A 104 -23.942 5.844 15.167 1.00 22.44 C ATOM 1651 O VAL A 104 -23.178 4.975 14.752 1.00 3.25 O ATOM 1652 CB VAL A 104 -22.446 7.624 15.803 1.00 23.03 C ATOM 1653 CG1 VAL A 104 -22.914 8.623 14.788 1.00 53.33 C ATOM 1654 CG2 VAL A 104 -21.626 8.311 16.889 1.00 63.51 C ATOM 0 H VAL A 104 -22.312 5.366 17.189 1.00 71.00 H new ATOM 0 HA VAL A 104 -24.356 7.419 16.641 1.00 73.23 H new ATOM 0 HB VAL A 104 -21.767 6.920 15.322 1.00 23.03 H new ATOM 0 HG11 VAL A 104 -22.070 9.227 14.456 1.00 53.33 H new ATOM 0 HG12 VAL A 104 -23.344 8.100 13.934 1.00 53.33 H new ATOM 0 HG13 VAL A 104 -23.669 9.269 15.235 1.00 53.33 H new ATOM 0 HG21 VAL A 104 -20.844 8.914 16.428 1.00 63.51 H new ATOM 0 HG22 VAL A 104 -22.275 8.953 17.484 1.00 63.51 H new ATOM 0 HG23 VAL A 104 -21.172 7.558 17.533 1.00 63.51 H new ATOM 1664 N ALA A 105 -25.143 6.045 14.614 1.00 11.35 N ATOM 1665 CA ALA A 105 -25.586 5.386 13.407 1.00 11.54 C ATOM 1666 C ALA A 105 -24.773 5.718 12.160 1.00 32.31 C ATOM 1667 O ALA A 105 -24.399 4.842 11.386 1.00 42.31 O ATOM 1668 CB ALA A 105 -27.060 5.732 13.141 1.00 3.21 C ATOM 0 H ALA A 105 -25.836 6.682 15.008 1.00 11.35 H new ATOM 0 HA ALA A 105 -25.445 4.321 13.591 1.00 11.54 H new ATOM 0 HB1 ALA A 105 -27.392 5.234 12.230 1.00 3.21 H new ATOM 0 HB2 ALA A 105 -27.669 5.397 13.980 1.00 3.21 H new ATOM 0 HB3 ALA A 105 -27.165 6.811 13.024 1.00 3.21 H new ATOM 1674 N ASP A 106 -24.471 7.018 11.961 1.00 35.51 N ATOM 1675 CA ASP A 106 -23.652 7.547 10.890 1.00 4.43 C ATOM 1676 C ASP A 106 -22.197 7.076 10.948 1.00 43.01 C ATOM 1677 O ASP A 106 -21.567 6.851 9.919 1.00 11.34 O ATOM 1678 CB ASP A 106 -23.753 9.103 10.905 1.00 51.51 C ATOM 1679 CG ASP A 106 -23.077 9.769 9.705 1.00 51.33 C ATOM 1680 OD1 ASP A 106 -22.085 10.508 9.935 1.00 60.44 O ATOM 1681 OD2 ASP A 106 -23.567 9.562 8.566 1.00 2.01 O ATOM 0 H ASP A 106 -24.817 7.750 12.582 1.00 35.51 H new ATOM 0 HA ASP A 106 -24.036 7.158 9.947 1.00 4.43 H new ATOM 0 HB2 ASP A 106 -24.804 9.391 10.926 1.00 51.51 H new ATOM 0 HB3 ASP A 106 -23.301 9.480 11.822 1.00 51.51 H new ATOM 1686 N ASP A 107 -21.620 7.003 12.163 1.00 72.31 N ATOM 1687 CA ASP A 107 -20.186 6.964 12.356 1.00 0.51 C ATOM 1688 C ASP A 107 -19.841 5.764 13.240 1.00 43.13 C ATOM 1689 O ASP A 107 -19.820 5.926 14.461 1.00 24.00 O ATOM 1690 CB ASP A 107 -19.737 8.301 13.019 1.00 63.53 C ATOM 1691 CG ASP A 107 -18.232 8.526 13.011 1.00 44.04 C ATOM 1692 OD1 ASP A 107 -17.537 7.826 13.791 1.00 10.23 O ATOM 1693 OD2 ASP A 107 -17.769 9.403 12.236 1.00 5.43 O ATOM 0 H ASP A 107 -22.152 6.970 13.033 1.00 72.31 H new ATOM 0 HA ASP A 107 -19.665 6.854 11.405 1.00 0.51 H new ATOM 0 HB2 ASP A 107 -20.220 9.130 12.502 1.00 63.53 H new ATOM 0 HB3 ASP A 107 -20.090 8.319 14.050 1.00 63.53 H new ATOM 1698 N PRO A 108 -19.528 4.568 12.747 1.00 5.31 N ATOM 1699 CA PRO A 108 -19.219 3.419 13.599 1.00 13.20 C ATOM 1700 C PRO A 108 -17.903 3.580 14.338 1.00 33.43 C ATOM 1701 O PRO A 108 -17.629 2.812 15.260 1.00 44.00 O ATOM 1702 CB PRO A 108 -19.180 2.242 12.610 1.00 53.45 C ATOM 1703 CG PRO A 108 -18.769 2.879 11.279 1.00 41.20 C ATOM 1704 CD PRO A 108 -19.495 4.224 11.321 1.00 5.32 C ATOM 0 HA PRO A 108 -19.952 3.284 14.394 1.00 13.20 H new ATOM 0 HB2 PRO A 108 -18.465 1.482 12.925 1.00 53.45 H new ATOM 0 HB3 PRO A 108 -20.152 1.754 12.534 1.00 53.45 H new ATOM 0 HG2 PRO A 108 -17.689 3.003 11.204 1.00 41.20 H new ATOM 0 HG3 PRO A 108 -19.081 2.276 10.426 1.00 41.20 H new ATOM 0 HD2 PRO A 108 -18.967 4.980 10.741 1.00 5.32 H new ATOM 0 HD3 PRO A 108 -20.500 4.148 10.906 1.00 5.32 H new ATOM 1712 N CYS A 109 -17.061 4.555 13.932 1.00 73.40 N ATOM 1713 CA CYS A 109 -15.755 4.801 14.488 1.00 11.40 C ATOM 1714 C CYS A 109 -15.874 5.355 15.901 1.00 51.40 C ATOM 1715 O CYS A 109 -15.187 4.904 16.814 1.00 30.35 O ATOM 1716 CB CYS A 109 -14.967 5.769 13.580 1.00 73.31 C ATOM 1717 SG CYS A 109 -14.785 5.126 11.883 1.00 10.03 S ATOM 0 H CYS A 109 -17.300 5.203 13.181 1.00 73.40 H new ATOM 0 HA CYS A 109 -15.210 3.858 14.541 1.00 11.40 H new ATOM 0 HB2 CYS A 109 -15.477 6.732 13.549 1.00 73.31 H new ATOM 0 HB3 CYS A 109 -13.980 5.944 14.008 1.00 73.31 H new ATOM 1722 N GLN A 110 -16.811 6.313 16.132 1.00 33.04 N ATOM 1723 CA GLN A 110 -17.133 6.838 17.454 1.00 13.13 C ATOM 1724 C GLN A 110 -17.661 5.756 18.347 1.00 42.24 C ATOM 1725 O GLN A 110 -17.187 5.610 19.466 1.00 52.14 O ATOM 1726 CB GLN A 110 -18.204 7.964 17.414 1.00 4.53 C ATOM 1727 CG GLN A 110 -17.774 9.297 18.068 1.00 30.45 C ATOM 1728 CD GLN A 110 -17.035 10.166 17.057 1.00 71.11 C ATOM 1729 OE1 GLN A 110 -17.354 11.337 16.845 1.00 44.12 O ATOM 1730 NE2 GLN A 110 -16.062 9.531 16.360 1.00 11.43 N ATOM 0 H GLN A 110 -17.362 6.737 15.385 1.00 33.04 H new ATOM 0 HA GLN A 110 -16.198 7.246 17.838 1.00 13.13 H new ATOM 0 HB2 GLN A 110 -18.470 8.156 16.374 1.00 4.53 H new ATOM 0 HB3 GLN A 110 -19.105 7.606 17.912 1.00 4.53 H new ATOM 0 HG2 GLN A 110 -18.651 9.826 18.441 1.00 30.45 H new ATOM 0 HG3 GLN A 110 -17.132 9.099 18.926 1.00 30.45 H new ATOM 0 HE21 GLN A 110 -15.833 8.560 16.572 1.00 11.43 H new ATOM 0 HE22 GLN A 110 -15.558 10.024 15.623 1.00 11.43 H new ATOM 1739 N THR A 111 -18.588 4.915 17.833 1.00 21.43 N ATOM 1740 CA THR A 111 -19.102 3.771 18.592 1.00 32.41 C ATOM 1741 C THR A 111 -17.975 2.847 19.055 1.00 52.44 C ATOM 1742 O THR A 111 -17.917 2.477 20.224 1.00 35.44 O ATOM 1743 CB THR A 111 -20.074 2.914 17.795 1.00 64.02 C ATOM 1744 OG1 THR A 111 -21.162 3.702 17.330 1.00 34.13 O ATOM 1745 CG2 THR A 111 -20.631 1.757 18.662 1.00 75.01 C ATOM 0 H THR A 111 -18.988 5.013 16.900 1.00 21.43 H new ATOM 0 HA THR A 111 -19.618 4.217 19.442 1.00 32.41 H new ATOM 0 HB THR A 111 -19.529 2.498 16.947 1.00 64.02 H new ATOM 0 HG1 THR A 111 -21.596 3.249 16.578 1.00 34.13 H new ATOM 0 HG21 THR A 111 -21.323 1.159 18.069 1.00 75.01 H new ATOM 0 HG22 THR A 111 -19.808 1.128 19.002 1.00 75.01 H new ATOM 0 HG23 THR A 111 -21.154 2.168 19.525 1.00 75.01 H new ATOM 1753 N MET A 112 -17.013 2.497 18.168 1.00 30.12 N ATOM 1754 CA MET A 112 -15.878 1.661 18.519 1.00 72.34 C ATOM 1755 C MET A 112 -14.915 2.316 19.514 1.00 45.34 C ATOM 1756 O MET A 112 -14.540 1.717 20.516 1.00 63.32 O ATOM 1757 CB MET A 112 -15.063 1.285 17.254 1.00 32.22 C ATOM 1758 CG MET A 112 -14.090 0.114 17.483 1.00 42.12 C ATOM 1759 SD MET A 112 -14.961 -1.456 17.803 1.00 25.24 S ATOM 1760 CE MET A 112 -13.509 -2.510 18.066 1.00 4.22 C ATOM 0 H MET A 112 -17.017 2.795 17.193 1.00 30.12 H new ATOM 0 HA MET A 112 -16.310 0.779 18.992 1.00 72.34 H new ATOM 0 HB2 MET A 112 -15.752 1.024 16.451 1.00 32.22 H new ATOM 0 HB3 MET A 112 -14.500 2.157 16.921 1.00 32.22 H new ATOM 0 HG2 MET A 112 -13.450 0.000 16.608 1.00 42.12 H new ATOM 0 HG3 MET A 112 -13.439 0.345 18.327 1.00 42.12 H new ATOM 0 HE1 MET A 112 -13.831 -3.496 18.400 1.00 4.22 H new ATOM 0 HE2 MET A 112 -12.955 -2.606 17.132 1.00 4.22 H new ATOM 0 HE3 MET A 112 -12.866 -2.062 18.824 1.00 4.22 H new ATOM 1770 N LEU A 113 -14.509 3.585 19.268 1.00 11.21 N ATOM 1771 CA LEU A 113 -13.574 4.357 20.084 1.00 34.43 C ATOM 1772 C LEU A 113 -14.131 4.689 21.445 1.00 22.02 C ATOM 1773 O LEU A 113 -13.469 4.490 22.462 1.00 35.53 O ATOM 1774 CB LEU A 113 -13.209 5.621 19.282 1.00 22.04 C ATOM 1775 CG LEU A 113 -12.011 6.539 19.637 1.00 63.52 C ATOM 1776 CD1 LEU A 113 -12.262 8.011 19.249 1.00 32.50 C ATOM 1777 CD2 LEU A 113 -11.326 6.397 20.995 1.00 64.32 C ATOM 0 H LEU A 113 -14.845 4.109 18.460 1.00 11.21 H new ATOM 0 HA LEU A 113 -12.682 3.765 20.287 1.00 34.43 H new ATOM 0 HB2 LEU A 113 -13.055 5.298 18.252 1.00 22.04 H new ATOM 0 HB3 LEU A 113 -14.095 6.256 19.288 1.00 22.04 H new ATOM 0 HG LEU A 113 -11.242 6.114 18.992 1.00 63.52 H new ATOM 0 HD11 LEU A 113 -11.393 8.612 19.519 1.00 32.50 H new ATOM 0 HD12 LEU A 113 -12.432 8.080 18.174 1.00 32.50 H new ATOM 0 HD13 LEU A 113 -13.139 8.383 19.779 1.00 32.50 H new ATOM 0 HD21 LEU A 113 -10.512 7.118 21.069 1.00 64.32 H new ATOM 0 HD22 LEU A 113 -12.049 6.584 21.789 1.00 64.32 H new ATOM 0 HD23 LEU A 113 -10.928 5.388 21.098 1.00 64.32 H new ATOM 1789 N ASN A 114 -15.409 5.134 21.496 1.00 30.40 N ATOM 1790 CA ASN A 114 -16.114 5.450 22.730 1.00 42.12 C ATOM 1791 C ASN A 114 -16.236 4.201 23.575 1.00 22.01 C ATOM 1792 O ASN A 114 -16.022 4.229 24.786 1.00 51.42 O ATOM 1793 CB ASN A 114 -17.564 5.971 22.548 1.00 52.32 C ATOM 1794 CG ASN A 114 -17.614 7.356 21.910 1.00 74.13 C ATOM 1795 OD1 ASN A 114 -16.673 8.149 21.943 1.00 72.04 O ATOM 1796 ND2 ASN A 114 -18.796 7.660 21.308 1.00 43.24 N ATOM 0 H ASN A 114 -15.975 5.281 20.660 1.00 30.40 H new ATOM 0 HA ASN A 114 -15.519 6.242 23.185 1.00 42.12 H new ATOM 0 HB2 ASN A 114 -18.123 5.269 21.929 1.00 52.32 H new ATOM 0 HB3 ASN A 114 -18.059 6.004 23.519 1.00 52.32 H new ATOM 0 HD21 ASN A 114 -18.923 8.570 20.865 1.00 43.24 H new ATOM 0 HD22 ASN A 114 -19.554 6.978 21.300 1.00 43.24 H new ATOM 1803 N LEU A 115 -16.552 3.051 22.933 1.00 23.44 N ATOM 1804 CA LEU A 115 -16.586 1.771 23.596 1.00 75.24 C ATOM 1805 C LEU A 115 -15.245 1.372 24.121 1.00 64.01 C ATOM 1806 O LEU A 115 -15.115 0.953 25.262 1.00 5.40 O ATOM 1807 CB LEU A 115 -17.067 0.659 22.644 1.00 71.34 C ATOM 1808 CG LEU A 115 -17.122 -0.744 23.276 1.00 31.25 C ATOM 1809 CD1 LEU A 115 -15.815 -1.539 23.237 1.00 42.31 C ATOM 1810 CD2 LEU A 115 -17.803 -0.761 24.635 1.00 12.13 C ATOM 0 H LEU A 115 -16.787 3.009 21.941 1.00 23.44 H new ATOM 0 HA LEU A 115 -17.282 1.886 24.427 1.00 75.24 H new ATOM 0 HB2 LEU A 115 -18.060 0.917 22.277 1.00 71.34 H new ATOM 0 HB3 LEU A 115 -16.405 0.628 21.778 1.00 71.34 H new ATOM 0 HG LEU A 115 -17.772 -1.303 22.603 1.00 31.25 H new ATOM 0 HD11 LEU A 115 -15.966 -2.510 23.708 1.00 42.31 H new ATOM 0 HD12 LEU A 115 -15.507 -1.682 22.201 1.00 42.31 H new ATOM 0 HD13 LEU A 115 -15.040 -0.992 23.774 1.00 42.31 H new ATOM 0 HD21 LEU A 115 -17.809 -1.778 25.026 1.00 12.13 H new ATOM 0 HD22 LEU A 115 -17.261 -0.111 25.322 1.00 12.13 H new ATOM 0 HD23 LEU A 115 -18.828 -0.405 24.533 1.00 12.13 H new ATOM 1822 N ALA A 116 -14.208 1.511 23.287 1.00 13.32 N ATOM 1823 CA ALA A 116 -12.858 1.079 23.574 1.00 31.31 C ATOM 1824 C ALA A 116 -12.290 1.830 24.749 1.00 61.21 C ATOM 1825 O ALA A 116 -11.651 1.252 25.627 1.00 2.22 O ATOM 1826 CB ALA A 116 -11.932 1.260 22.357 1.00 33.42 C ATOM 0 H ALA A 116 -14.301 1.942 22.367 1.00 13.32 H new ATOM 0 HA ALA A 116 -12.910 0.017 23.816 1.00 31.31 H new ATOM 0 HB1 ALA A 116 -10.927 0.925 22.612 1.00 33.42 H new ATOM 0 HB2 ALA A 116 -12.310 0.671 21.521 1.00 33.42 H new ATOM 0 HB3 ALA A 116 -11.903 2.313 22.075 1.00 33.42 H new ATOM 1832 N MET A 117 -12.545 3.159 24.796 1.00 74.10 N ATOM 1833 CA MET A 117 -12.100 3.983 25.889 1.00 40.44 C ATOM 1834 C MET A 117 -12.924 3.706 27.153 1.00 14.41 C ATOM 1835 O MET A 117 -12.390 3.819 28.251 1.00 15.11 O ATOM 1836 CB MET A 117 -12.057 5.487 25.457 1.00 64.53 C ATOM 1837 CG MET A 117 -13.402 6.216 25.339 1.00 45.21 C ATOM 1838 SD MET A 117 -13.216 7.956 24.834 1.00 65.45 S ATOM 1839 CE MET A 117 -14.921 8.466 25.197 1.00 1.34 C ATOM 0 H MET A 117 -13.061 3.663 24.075 1.00 74.10 H new ATOM 0 HA MET A 117 -11.075 3.723 26.154 1.00 40.44 H new ATOM 0 HB2 MET A 117 -11.440 6.028 26.174 1.00 64.53 H new ATOM 0 HB3 MET A 117 -11.553 5.548 24.493 1.00 64.53 H new ATOM 0 HG2 MET A 117 -14.030 5.697 24.615 1.00 45.21 H new ATOM 0 HG3 MET A 117 -13.919 6.173 26.298 1.00 45.21 H new ATOM 0 HE1 MET A 117 -15.218 9.258 24.510 1.00 1.34 H new ATOM 0 HE2 MET A 117 -15.589 7.613 25.078 1.00 1.34 H new ATOM 0 HE3 MET A 117 -14.981 8.833 26.222 1.00 1.34 H new ATOM 1849 N CYS A 118 -14.220 3.276 27.044 1.00 21.04 N ATOM 1850 CA CYS A 118 -14.978 2.719 28.180 1.00 13.01 C ATOM 1851 C CYS A 118 -14.481 1.347 28.625 1.00 2.35 C ATOM 1852 O CYS A 118 -14.256 1.115 29.811 1.00 32.20 O ATOM 1853 CB CYS A 118 -16.507 2.617 27.892 1.00 41.31 C ATOM 1854 SG CYS A 118 -17.566 2.015 29.276 1.00 2.31 S ATOM 0 H CYS A 118 -14.750 3.311 26.173 1.00 21.04 H new ATOM 0 HA CYS A 118 -14.807 3.432 28.986 1.00 13.01 H new ATOM 0 HB2 CYS A 118 -16.864 3.602 27.593 1.00 41.31 H new ATOM 0 HB3 CYS A 118 -16.650 1.953 27.039 1.00 41.31 H new ATOM 1859 N PHE A 119 -14.241 0.408 27.679 1.00 25.44 N ATOM 1860 CA PHE A 119 -13.647 -0.889 27.960 1.00 54.25 C ATOM 1861 C PHE A 119 -12.315 -0.840 28.676 1.00 62.25 C ATOM 1862 O PHE A 119 -12.109 -1.518 29.685 1.00 61.10 O ATOM 1863 CB PHE A 119 -13.482 -1.612 26.603 1.00 43.32 C ATOM 1864 CG PHE A 119 -12.746 -2.927 26.659 1.00 33.25 C ATOM 1865 CD1 PHE A 119 -11.356 -2.918 26.429 1.00 10.13 C ATOM 1866 CD2 PHE A 119 -13.375 -4.137 26.979 1.00 51.02 C ATOM 1867 CE1 PHE A 119 -10.607 -4.092 26.530 1.00 52.30 C ATOM 1868 CE2 PHE A 119 -12.619 -5.309 27.089 1.00 33.32 C ATOM 1869 CZ PHE A 119 -11.240 -5.290 26.872 1.00 55.22 C ATOM 0 H PHE A 119 -14.463 0.547 26.693 1.00 25.44 H new ATOM 0 HA PHE A 119 -14.311 -1.414 28.646 1.00 54.25 H new ATOM 0 HB2 PHE A 119 -14.471 -1.786 26.180 1.00 43.32 H new ATOM 0 HB3 PHE A 119 -12.955 -0.948 25.918 1.00 43.32 H new ATOM 0 HD1 PHE A 119 -10.864 -1.992 26.171 1.00 10.13 H new ATOM 0 HD2 PHE A 119 -14.442 -4.165 27.141 1.00 51.02 H new ATOM 0 HE1 PHE A 119 -9.543 -4.074 26.345 1.00 52.30 H new ATOM 0 HE2 PHE A 119 -13.107 -6.238 27.344 1.00 33.32 H new ATOM 0 HZ PHE A 119 -10.664 -6.199 26.968 1.00 55.22 H new ATOM 1879 N LYS A 120 -11.389 0.006 28.186 1.00 44.12 N ATOM 1880 CA LYS A 120 -10.098 0.211 28.772 1.00 50.21 C ATOM 1881 C LYS A 120 -10.211 0.784 30.173 1.00 71.32 C ATOM 1882 O LYS A 120 -9.394 0.515 31.052 1.00 42.34 O ATOM 1883 CB LYS A 120 -9.246 1.140 27.872 1.00 14.14 C ATOM 1884 CG LYS A 120 -7.811 1.363 28.374 1.00 4.23 C ATOM 1885 CD LYS A 120 -6.969 2.300 27.487 1.00 21.44 C ATOM 1886 CE LYS A 120 -7.424 3.764 27.462 1.00 25.23 C ATOM 1887 NZ LYS A 120 -7.235 4.385 28.789 1.00 2.53 N ATOM 0 H LYS A 120 -11.545 0.569 27.350 1.00 44.12 H new ATOM 0 HA LYS A 120 -9.604 -0.757 28.850 1.00 50.21 H new ATOM 0 HB2 LYS A 120 -9.206 0.717 26.868 1.00 14.14 H new ATOM 0 HB3 LYS A 120 -9.745 2.106 27.791 1.00 14.14 H new ATOM 0 HG2 LYS A 120 -7.851 1.775 29.382 1.00 4.23 H new ATOM 0 HG3 LYS A 120 -7.308 0.398 28.443 1.00 4.23 H new ATOM 0 HD2 LYS A 120 -5.935 2.264 27.829 1.00 21.44 H new ATOM 0 HD3 LYS A 120 -6.981 1.916 26.467 1.00 21.44 H new ATOM 0 HE2 LYS A 120 -6.857 4.315 26.712 1.00 25.23 H new ATOM 0 HE3 LYS A 120 -8.474 3.820 27.173 1.00 25.23 H new ATOM 0 HZ1 LYS A 120 -7.435 5.404 28.727 1.00 2.53 H new ATOM 0 HZ2 LYS A 120 -7.883 3.946 29.473 1.00 2.53 H new ATOM 0 HZ3 LYS A 120 -6.253 4.243 29.102 1.00 2.53 H new ATOM 1901 N ALA A 121 -11.265 1.593 30.405 1.00 62.43 N ATOM 1902 CA ALA A 121 -11.516 2.238 31.680 1.00 33.13 C ATOM 1903 C ALA A 121 -11.751 1.234 32.800 1.00 51.42 C ATOM 1904 O ALA A 121 -11.248 1.357 33.914 1.00 23.42 O ATOM 1905 CB ALA A 121 -12.741 3.168 31.568 1.00 51.32 C ATOM 0 H ALA A 121 -11.965 1.810 29.695 1.00 62.43 H new ATOM 0 HA ALA A 121 -10.624 2.814 31.928 1.00 33.13 H new ATOM 0 HB1 ALA A 121 -12.922 3.648 32.530 1.00 51.32 H new ATOM 0 HB2 ALA A 121 -12.551 3.930 30.812 1.00 51.32 H new ATOM 0 HB3 ALA A 121 -13.616 2.584 31.283 1.00 51.32 H new ATOM 1911 N GLU A 122 -12.539 0.188 32.492 1.00 11.31 N ATOM 1912 CA GLU A 122 -12.808 -0.928 33.364 1.00 32.22 C ATOM 1913 C GLU A 122 -11.594 -1.823 33.632 1.00 71.51 C ATOM 1914 O GLU A 122 -11.291 -2.102 34.783 1.00 2.30 O ATOM 1915 CB GLU A 122 -13.995 -1.705 32.749 1.00 23.01 C ATOM 1916 CG GLU A 122 -15.347 -0.939 32.830 1.00 2.23 C ATOM 1917 CD GLU A 122 -15.904 -0.843 34.251 1.00 44.44 C ATOM 1918 OE1 GLU A 122 -15.962 0.293 34.789 1.00 75.42 O ATOM 1919 OE2 GLU A 122 -16.300 -1.909 34.790 1.00 11.13 O ATOM 0 H GLU A 122 -13.014 0.111 31.593 1.00 11.31 H new ATOM 0 HA GLU A 122 -13.061 -0.553 34.356 1.00 32.22 H new ATOM 0 HB2 GLU A 122 -13.773 -1.925 31.705 1.00 23.01 H new ATOM 0 HB3 GLU A 122 -14.097 -2.662 33.261 1.00 23.01 H new ATOM 0 HG2 GLU A 122 -15.211 0.067 32.432 1.00 2.23 H new ATOM 0 HG3 GLU A 122 -16.078 -1.438 32.194 1.00 2.23 H new ATOM 1926 N ILE A 123 -10.794 -2.238 32.621 1.00 0.04 N ATOM 1927 CA ILE A 123 -9.565 -3.005 32.824 1.00 24.21 C ATOM 1928 C ILE A 123 -8.460 -2.238 33.531 1.00 2.32 C ATOM 1929 O ILE A 123 -7.598 -2.842 34.162 1.00 62.24 O ATOM 1930 CB ILE A 123 -9.025 -3.645 31.544 1.00 35.34 C ATOM 1931 CG1 ILE A 123 -8.557 -2.604 30.515 1.00 64.42 C ATOM 1932 CG2 ILE A 123 -10.094 -4.587 30.950 1.00 31.05 C ATOM 1933 CD1 ILE A 123 -8.097 -3.170 29.169 1.00 72.45 C ATOM 0 H ILE A 123 -10.994 -2.043 31.640 1.00 0.04 H new ATOM 0 HA ILE A 123 -9.880 -3.806 33.493 1.00 24.21 H new ATOM 0 HB ILE A 123 -8.140 -4.225 31.804 1.00 35.34 H new ATOM 0 HG12 ILE A 123 -9.373 -1.904 30.335 1.00 64.42 H new ATOM 0 HG13 ILE A 123 -7.736 -2.033 30.949 1.00 64.42 H new ATOM 0 HG21 ILE A 123 -9.710 -5.044 30.038 1.00 31.05 H new ATOM 0 HG22 ILE A 123 -10.334 -5.367 31.673 1.00 31.05 H new ATOM 0 HG23 ILE A 123 -10.994 -4.017 30.719 1.00 31.05 H new ATOM 0 HD11 ILE A 123 -7.788 -2.353 28.517 1.00 72.45 H new ATOM 0 HD12 ILE A 123 -7.257 -3.846 29.327 1.00 72.45 H new ATOM 0 HD13 ILE A 123 -8.918 -3.715 28.704 1.00 72.45 H new ATOM 1945 N HIS A 124 -8.486 -0.884 33.491 1.00 4.22 N ATOM 1946 CA HIS A 124 -7.647 -0.013 34.297 1.00 12.23 C ATOM 1947 C HIS A 124 -7.912 -0.189 35.788 1.00 2.55 C ATOM 1948 O HIS A 124 -6.989 -0.185 36.597 1.00 1.23 O ATOM 1949 CB HIS A 124 -7.852 1.477 33.908 1.00 20.42 C ATOM 1950 CG HIS A 124 -6.975 2.457 34.640 1.00 51.23 C ATOM 1951 ND1 HIS A 124 -5.619 2.499 34.475 1.00 5.04 N ATOM 1952 CD2 HIS A 124 -7.294 3.424 35.528 1.00 43.14 C ATOM 1953 CE1 HIS A 124 -5.128 3.458 35.240 1.00 52.13 C ATOM 1954 NE2 HIS A 124 -6.124 4.034 35.888 1.00 31.34 N ATOM 0 H HIS A 124 -9.115 -0.369 32.874 1.00 4.22 H new ATOM 0 HA HIS A 124 -6.615 -0.299 34.095 1.00 12.23 H new ATOM 0 HB2 HIS A 124 -7.675 1.584 32.838 1.00 20.42 H new ATOM 0 HB3 HIS A 124 -8.894 1.742 34.087 1.00 20.42 H new ATOM 0 HD2 HIS A 124 -8.283 3.668 35.885 1.00 43.14 H new ATOM 0 HE1 HIS A 124 -4.085 3.726 35.322 1.00 52.13 H new ATOM 0 HE2 HIS A 124 -6.035 4.806 36.548 1.00 31.34 H new ATOM 1963 N LYS A 125 -9.203 -0.318 36.184 1.00 24.12 N ATOM 1964 CA LYS A 125 -9.616 -0.353 37.579 1.00 41.33 C ATOM 1965 C LYS A 125 -9.316 -1.684 38.267 1.00 22.35 C ATOM 1966 O LYS A 125 -9.191 -1.765 39.488 1.00 35.42 O ATOM 1967 CB LYS A 125 -11.126 0.013 37.709 1.00 62.43 C ATOM 1968 CG LYS A 125 -12.153 -1.134 37.785 1.00 2.14 C ATOM 1969 CD LYS A 125 -13.607 -0.630 37.814 1.00 61.51 C ATOM 1970 CE LYS A 125 -14.655 -1.742 37.915 1.00 51.45 C ATOM 1971 NZ LYS A 125 -14.589 -2.398 39.237 1.00 74.42 N ATOM 0 H LYS A 125 -9.979 -0.400 35.528 1.00 24.12 H new ATOM 0 HA LYS A 125 -9.019 0.396 38.099 1.00 41.33 H new ATOM 0 HB2 LYS A 125 -11.244 0.624 38.604 1.00 62.43 H new ATOM 0 HB3 LYS A 125 -11.390 0.640 36.857 1.00 62.43 H new ATOM 0 HG2 LYS A 125 -12.019 -1.794 36.928 1.00 2.14 H new ATOM 0 HG3 LYS A 125 -11.961 -1.729 38.678 1.00 2.14 H new ATOM 0 HD2 LYS A 125 -13.728 0.046 38.660 1.00 61.51 H new ATOM 0 HD3 LYS A 125 -13.796 -0.049 36.912 1.00 61.51 H new ATOM 0 HE2 LYS A 125 -15.650 -1.327 37.758 1.00 51.45 H new ATOM 0 HE3 LYS A 125 -14.489 -2.478 37.129 1.00 51.45 H new ATOM 0 HZ1 LYS A 125 -15.360 -3.091 39.320 1.00 74.42 H new ATOM 0 HZ2 LYS A 125 -13.675 -2.884 39.338 1.00 74.42 H new ATOM 0 HZ3 LYS A 125 -14.685 -1.682 39.985 1.00 74.42 H new ATOM 1985 N LEU A 126 -9.230 -2.769 37.467 1.00 23.34 N ATOM 1986 CA LEU A 126 -9.048 -4.151 37.876 1.00 71.11 C ATOM 1987 C LEU A 126 -7.703 -4.470 38.509 1.00 34.44 C ATOM 1988 O LEU A 126 -6.677 -3.842 38.265 1.00 72.23 O ATOM 1989 CB LEU A 126 -9.277 -5.118 36.682 1.00 63.23 C ATOM 1990 CG LEU A 126 -10.731 -5.114 36.159 1.00 72.34 C ATOM 1991 CD1 LEU A 126 -10.843 -5.716 34.751 1.00 34.42 C ATOM 1992 CD2 LEU A 126 -11.695 -5.836 37.111 1.00 12.31 C ATOM 0 H LEU A 126 -9.292 -2.681 36.453 1.00 23.34 H new ATOM 0 HA LEU A 126 -9.798 -4.297 38.653 1.00 71.11 H new ATOM 0 HB2 LEU A 126 -8.605 -4.844 35.868 1.00 63.23 H new ATOM 0 HB3 LEU A 126 -9.011 -6.130 36.988 1.00 63.23 H new ATOM 0 HG LEU A 126 -11.022 -4.065 36.109 1.00 72.34 H new ATOM 0 HD11 LEU A 126 -11.883 -5.691 34.426 1.00 34.42 H new ATOM 0 HD12 LEU A 126 -10.233 -5.137 34.058 1.00 34.42 H new ATOM 0 HD13 LEU A 126 -10.493 -6.748 34.768 1.00 34.42 H new ATOM 0 HD21 LEU A 126 -12.704 -5.806 36.699 1.00 12.31 H new ATOM 0 HD22 LEU A 126 -11.382 -6.873 37.228 1.00 12.31 H new ATOM 0 HD23 LEU A 126 -11.685 -5.342 38.083 1.00 12.31 H new ATOM 2004 N ASP A 127 -7.705 -5.507 39.378 1.00 0.12 N ATOM 2005 CA ASP A 127 -6.559 -5.941 40.153 1.00 3.21 C ATOM 2006 C ASP A 127 -5.674 -6.917 39.369 1.00 32.52 C ATOM 2007 O ASP A 127 -4.659 -7.383 39.877 1.00 13.55 O ATOM 2008 CB ASP A 127 -7.079 -6.563 41.485 1.00 55.41 C ATOM 2009 CG ASP A 127 -5.979 -6.820 42.518 1.00 53.21 C ATOM 2010 OD1 ASP A 127 -5.838 -7.996 42.942 1.00 33.01 O ATOM 2011 OD2 ASP A 127 -5.311 -5.832 42.916 1.00 30.32 O ATOM 0 H ASP A 127 -8.537 -6.070 39.552 1.00 0.12 H new ATOM 0 HA ASP A 127 -5.923 -5.084 40.376 1.00 3.21 H new ATOM 0 HB2 ASP A 127 -7.824 -5.897 41.920 1.00 55.41 H new ATOM 0 HB3 ASP A 127 -7.583 -7.504 41.263 1.00 55.41 H new ATOM 2016 N TRP A 128 -6.036 -7.241 38.109 1.00 55.34 N ATOM 2017 CA TRP A 128 -5.244 -8.088 37.236 1.00 71.34 C ATOM 2018 C TRP A 128 -5.101 -7.346 35.924 1.00 2.53 C ATOM 2019 O TRP A 128 -5.942 -6.514 35.587 1.00 14.50 O ATOM 2020 CB TRP A 128 -5.891 -9.489 36.987 1.00 52.42 C ATOM 2021 CG TRP A 128 -7.226 -9.431 36.267 1.00 61.03 C ATOM 2022 CD1 TRP A 128 -8.400 -8.951 36.761 1.00 73.11 C ATOM 2023 CD2 TRP A 128 -7.452 -9.722 34.875 1.00 50.35 C ATOM 2024 NE1 TRP A 128 -9.332 -8.851 35.755 1.00 21.12 N ATOM 2025 CE2 TRP A 128 -8.773 -9.319 34.587 1.00 24.54 C ATOM 2026 CE3 TRP A 128 -6.631 -10.257 33.886 1.00 41.42 C ATOM 2027 CZ2 TRP A 128 -9.290 -9.427 33.302 1.00 42.24 C ATOM 2028 CZ3 TRP A 128 -7.164 -10.396 32.596 1.00 40.23 C ATOM 2029 CH2 TRP A 128 -8.468 -9.968 32.301 1.00 24.54 C ATOM 0 H TRP A 128 -6.899 -6.910 37.679 1.00 55.34 H new ATOM 0 HA TRP A 128 -4.282 -8.285 37.708 1.00 71.34 H new ATOM 0 HB2 TRP A 128 -5.201 -10.098 36.404 1.00 52.42 H new ATOM 0 HB3 TRP A 128 -6.028 -9.991 37.945 1.00 52.42 H new ATOM 0 HD1 TRP A 128 -8.574 -8.687 37.794 1.00 73.11 H new ATOM 0 HE1 TRP A 128 -10.280 -8.490 35.857 1.00 21.12 H new ATOM 0 HE3 TRP A 128 -5.616 -10.555 34.105 1.00 41.42 H new ATOM 0 HZ2 TRP A 128 -10.296 -9.104 33.079 1.00 42.24 H new ATOM 0 HZ3 TRP A 128 -6.561 -10.839 31.817 1.00 40.23 H new ATOM 0 HH2 TRP A 128 -8.843 -10.056 31.292 1.00 24.54 H new ATOM 2040 N ALA A 129 -4.030 -7.625 35.152 1.00 1.01 N ATOM 2041 CA ALA A 129 -3.812 -6.969 33.885 1.00 25.33 C ATOM 2042 C ALA A 129 -3.895 -7.957 32.725 1.00 43.54 C ATOM 2043 O ALA A 129 -3.061 -8.863 32.660 1.00 11.50 O ATOM 2044 CB ALA A 129 -2.439 -6.279 33.861 1.00 4.11 C ATOM 0 H ALA A 129 -3.312 -8.305 35.402 1.00 1.01 H new ATOM 0 HA ALA A 129 -4.598 -6.223 33.768 1.00 25.33 H new ATOM 0 HB1 ALA A 129 -2.294 -5.790 32.897 1.00 4.11 H new ATOM 0 HB2 ALA A 129 -2.392 -5.535 34.656 1.00 4.11 H new ATOM 0 HB3 ALA A 129 -1.656 -7.022 34.013 1.00 4.11 H new ATOM 2050 N PRO A 130 -4.830 -7.861 31.778 1.00 22.21 N ATOM 2051 CA PRO A 130 -4.663 -8.450 30.450 1.00 72.32 C ATOM 2052 C PRO A 130 -3.588 -7.688 29.679 1.00 24.43 C ATOM 2053 O PRO A 130 -3.443 -6.478 29.846 1.00 50.23 O ATOM 2054 CB PRO A 130 -6.053 -8.275 29.817 1.00 74.41 C ATOM 2055 CG PRO A 130 -6.629 -7.019 30.479 1.00 72.41 C ATOM 2056 CD PRO A 130 -6.055 -7.058 31.891 1.00 40.43 C ATOM 0 HA PRO A 130 -4.341 -9.491 30.459 1.00 72.32 H new ATOM 0 HB2 PRO A 130 -5.983 -8.156 28.736 1.00 74.41 H new ATOM 0 HB3 PRO A 130 -6.684 -9.144 30.002 1.00 74.41 H new ATOM 0 HG2 PRO A 130 -6.329 -6.114 29.950 1.00 72.41 H new ATOM 0 HG3 PRO A 130 -7.719 -7.036 30.489 1.00 72.41 H new ATOM 0 HD2 PRO A 130 -5.837 -6.055 32.257 1.00 40.43 H new ATOM 0 HD3 PRO A 130 -6.759 -7.507 32.592 1.00 40.43 H new ATOM 2064 N THR A 131 -2.827 -8.380 28.804 1.00 52.44 N ATOM 2065 CA THR A 131 -1.988 -7.735 27.800 1.00 0.24 C ATOM 2066 C THR A 131 -2.841 -7.348 26.609 1.00 42.53 C ATOM 2067 O THR A 131 -3.996 -7.755 26.483 1.00 51.41 O ATOM 2068 CB THR A 131 -0.762 -8.572 27.400 1.00 5.35 C ATOM 2069 OG1 THR A 131 0.129 -7.847 26.558 1.00 2.12 O ATOM 2070 CG2 THR A 131 -1.147 -9.894 26.715 1.00 53.33 C ATOM 0 H THR A 131 -2.785 -9.399 28.783 1.00 52.44 H new ATOM 0 HA THR A 131 -1.567 -6.832 28.242 1.00 0.24 H new ATOM 0 HB THR A 131 -0.253 -8.806 28.335 1.00 5.35 H new ATOM 0 HG1 THR A 131 0.895 -8.413 26.328 1.00 2.12 H new ATOM 0 HG21 THR A 131 -0.244 -10.445 26.454 1.00 53.33 H new ATOM 0 HG22 THR A 131 -1.754 -10.493 27.395 1.00 53.33 H new ATOM 0 HG23 THR A 131 -1.717 -9.683 25.810 1.00 53.33 H new ATOM 2078 N LEU A 132 -2.293 -6.536 25.682 1.00 73.25 N ATOM 2079 CA LEU A 132 -3.006 -5.973 24.549 1.00 31.03 C ATOM 2080 C LEU A 132 -3.530 -7.052 23.628 1.00 24.44 C ATOM 2081 O LEU A 132 -4.613 -6.916 23.070 1.00 12.12 O ATOM 2082 CB LEU A 132 -2.153 -4.969 23.722 1.00 50.24 C ATOM 2083 CG LEU A 132 -1.859 -3.605 24.403 1.00 72.40 C ATOM 2084 CD1 LEU A 132 -3.151 -2.877 24.816 1.00 4.40 C ATOM 2085 CD2 LEU A 132 -0.869 -3.677 25.581 1.00 73.05 C ATOM 0 H LEU A 132 -1.313 -6.254 25.714 1.00 73.25 H new ATOM 0 HA LEU A 132 -3.841 -5.424 24.984 1.00 31.03 H new ATOM 0 HB2 LEU A 132 -1.202 -5.444 23.479 1.00 50.24 H new ATOM 0 HB3 LEU A 132 -2.665 -4.779 22.778 1.00 50.24 H new ATOM 0 HG LEU A 132 -1.359 -3.019 23.632 1.00 72.40 H new ATOM 0 HD11 LEU A 132 -2.899 -1.928 25.288 1.00 4.40 H new ATOM 0 HD12 LEU A 132 -3.762 -2.692 23.933 1.00 4.40 H new ATOM 0 HD13 LEU A 132 -3.708 -3.496 25.520 1.00 4.40 H new ATOM 0 HD21 LEU A 132 -0.723 -2.679 25.995 1.00 73.05 H new ATOM 0 HD22 LEU A 132 -1.269 -4.335 26.352 1.00 73.05 H new ATOM 0 HD23 LEU A 132 0.086 -4.067 25.230 1.00 73.05 H new ATOM 2097 N ASP A 133 -2.804 -8.188 23.517 1.00 41.34 N ATOM 2098 CA ASP A 133 -3.172 -9.317 22.667 1.00 54.23 C ATOM 2099 C ASP A 133 -4.532 -9.905 23.052 1.00 23.35 C ATOM 2100 O ASP A 133 -5.289 -10.343 22.194 1.00 40.03 O ATOM 2101 CB ASP A 133 -2.113 -10.457 22.733 1.00 23.43 C ATOM 2102 CG ASP A 133 -0.796 -10.094 22.052 1.00 54.13 C ATOM 2103 OD1 ASP A 133 0.189 -10.836 22.307 1.00 41.22 O ATOM 2104 OD2 ASP A 133 -0.753 -9.098 21.287 1.00 63.33 O ATOM 0 H ASP A 133 -1.934 -8.337 24.028 1.00 41.34 H new ATOM 0 HA ASP A 133 -3.222 -8.920 21.653 1.00 54.23 H new ATOM 0 HB2 ASP A 133 -1.919 -10.704 23.777 1.00 23.43 H new ATOM 0 HB3 ASP A 133 -2.522 -11.352 22.264 1.00 23.43 H new ATOM 2109 N VAL A 134 -4.847 -9.916 24.360 1.00 14.32 N ATOM 2110 CA VAL A 134 -6.062 -10.441 24.965 1.00 40.43 C ATOM 2111 C VAL A 134 -7.076 -9.345 25.219 1.00 24.20 C ATOM 2112 O VAL A 134 -8.249 -9.478 24.869 1.00 50.14 O ATOM 2113 CB VAL A 134 -5.787 -11.291 26.198 1.00 53.54 C ATOM 2114 CG1 VAL A 134 -4.666 -10.718 27.036 1.00 74.32 C ATOM 2115 CG2 VAL A 134 -7.019 -11.597 27.073 1.00 34.23 C ATOM 0 H VAL A 134 -4.211 -9.531 25.059 1.00 14.32 H new ATOM 0 HA VAL A 134 -6.509 -11.121 24.239 1.00 40.43 H new ATOM 0 HB VAL A 134 -5.476 -12.254 25.792 1.00 53.54 H new ATOM 0 HG11 VAL A 134 -4.501 -11.353 27.906 1.00 74.32 H new ATOM 0 HG12 VAL A 134 -3.754 -10.673 26.441 1.00 74.32 H new ATOM 0 HG13 VAL A 134 -4.934 -9.714 27.365 1.00 74.32 H new ATOM 0 HG21 VAL A 134 -6.718 -12.207 27.925 1.00 34.23 H new ATOM 0 HG22 VAL A 134 -7.452 -10.663 27.431 1.00 34.23 H new ATOM 0 HG23 VAL A 134 -7.759 -12.137 26.483 1.00 34.23 H new ATOM 2125 N ALA A 135 -6.655 -8.189 25.783 1.00 33.14 N ATOM 2126 CA ALA A 135 -7.551 -7.079 26.026 1.00 43.24 C ATOM 2127 C ALA A 135 -8.136 -6.476 24.774 1.00 63.32 C ATOM 2128 O ALA A 135 -9.348 -6.304 24.683 1.00 74.12 O ATOM 2129 CB ALA A 135 -6.831 -5.978 26.817 1.00 51.21 C ATOM 0 H ALA A 135 -5.692 -8.019 26.073 1.00 33.14 H new ATOM 0 HA ALA A 135 -8.381 -7.494 26.598 1.00 43.24 H new ATOM 0 HB1 ALA A 135 -7.516 -5.149 26.993 1.00 51.21 H new ATOM 0 HB2 ALA A 135 -6.493 -6.378 27.773 1.00 51.21 H new ATOM 0 HB3 ALA A 135 -5.972 -5.624 26.248 1.00 51.21 H new ATOM 2135 N VAL A 136 -7.319 -6.185 23.735 1.00 32.43 N ATOM 2136 CA VAL A 136 -7.903 -5.693 22.503 1.00 54.21 C ATOM 2137 C VAL A 136 -8.421 -6.863 21.733 1.00 71.24 C ATOM 2138 O VAL A 136 -9.386 -6.737 20.990 1.00 23.10 O ATOM 2139 CB VAL A 136 -6.988 -4.880 21.596 1.00 11.22 C ATOM 2140 CG1 VAL A 136 -6.156 -3.923 22.462 1.00 14.54 C ATOM 2141 CG2 VAL A 136 -6.197 -5.639 20.512 1.00 10.01 C ATOM 0 H VAL A 136 -6.304 -6.282 23.737 1.00 32.43 H new ATOM 0 HA VAL A 136 -8.681 -4.995 22.812 1.00 54.21 H new ATOM 0 HB VAL A 136 -7.640 -4.302 20.941 1.00 11.22 H new ATOM 0 HG11 VAL A 136 -5.496 -3.335 21.824 1.00 14.54 H new ATOM 0 HG12 VAL A 136 -6.822 -3.255 23.009 1.00 14.54 H new ATOM 0 HG13 VAL A 136 -5.558 -4.498 23.169 1.00 14.54 H new ATOM 0 HG21 VAL A 136 -5.590 -4.934 19.944 1.00 10.01 H new ATOM 0 HG22 VAL A 136 -5.549 -6.378 20.984 1.00 10.01 H new ATOM 0 HG23 VAL A 136 -6.892 -6.143 19.840 1.00 10.01 H new ATOM 2151 N GLY A 137 -7.793 -8.053 21.889 1.00 32.52 N ATOM 2152 CA GLY A 137 -8.156 -9.205 21.096 1.00 42.40 C ATOM 2153 C GLY A 137 -9.583 -9.635 21.259 1.00 32.25 C ATOM 2154 O GLY A 137 -10.237 -9.918 20.265 1.00 63.44 O ATOM 0 H GLY A 137 -7.040 -8.219 22.557 1.00 32.52 H new ATOM 0 HA2 GLY A 137 -7.973 -8.982 20.045 1.00 42.40 H new ATOM 0 HA3 GLY A 137 -7.504 -10.037 21.363 1.00 42.40 H new ATOM 2158 N GLU A 138 -10.131 -9.675 22.498 1.00 21.53 N ATOM 2159 CA GLU A 138 -11.515 -10.033 22.720 1.00 1.02 C ATOM 2160 C GLU A 138 -12.491 -8.996 22.170 1.00 50.42 C ATOM 2161 O GLU A 138 -13.541 -9.359 21.640 1.00 34.02 O ATOM 2162 CB GLU A 138 -11.750 -10.312 24.219 1.00 64.01 C ATOM 2163 CG GLU A 138 -10.877 -11.448 24.834 1.00 54.14 C ATOM 2164 CD GLU A 138 -9.877 -12.185 23.932 1.00 1.31 C ATOM 2165 OE1 GLU A 138 -10.318 -12.761 22.915 1.00 71.25 O ATOM 2166 OE2 GLU A 138 -8.668 -12.210 24.261 1.00 41.44 O ATOM 0 H GLU A 138 -9.615 -9.459 23.351 1.00 21.53 H new ATOM 0 HA GLU A 138 -11.717 -10.946 22.160 1.00 1.02 H new ATOM 0 HB2 GLU A 138 -11.565 -9.393 24.775 1.00 64.01 H new ATOM 0 HB3 GLU A 138 -12.800 -10.566 24.363 1.00 64.01 H new ATOM 0 HG2 GLU A 138 -10.317 -11.020 25.666 1.00 54.14 H new ATOM 0 HG3 GLU A 138 -11.553 -12.193 25.254 1.00 54.14 H new ATOM 2173 N LEU A 139 -12.145 -7.680 22.235 1.00 15.22 N ATOM 2174 CA LEU A 139 -12.878 -6.622 21.560 1.00 11.43 C ATOM 2175 C LEU A 139 -12.883 -6.761 20.086 1.00 10.25 C ATOM 2176 O LEU A 139 -13.927 -6.713 19.438 1.00 24.33 O ATOM 2177 CB LEU A 139 -12.219 -5.236 21.722 1.00 71.31 C ATOM 2178 CG LEU A 139 -12.407 -4.578 23.061 1.00 54.54 C ATOM 2179 CD1 LEU A 139 -11.511 -3.331 23.133 1.00 73.44 C ATOM 2180 CD2 LEU A 139 -13.879 -4.172 23.146 1.00 42.14 C ATOM 0 H LEU A 139 -11.342 -7.343 22.766 1.00 15.22 H new ATOM 0 HA LEU A 139 -13.866 -6.703 22.014 1.00 11.43 H new ATOM 0 HB2 LEU A 139 -11.150 -5.338 21.535 1.00 71.31 H new ATOM 0 HB3 LEU A 139 -12.616 -4.573 20.953 1.00 71.31 H new ATOM 0 HG LEU A 139 -12.142 -5.244 23.882 1.00 54.54 H new ATOM 0 HD11 LEU A 139 -11.640 -2.846 24.101 1.00 73.44 H new ATOM 0 HD12 LEU A 139 -10.468 -3.624 23.010 1.00 73.44 H new ATOM 0 HD13 LEU A 139 -11.789 -2.637 22.340 1.00 73.44 H new ATOM 0 HD21 LEU A 139 -14.068 -3.688 24.104 1.00 42.14 H new ATOM 0 HD22 LEU A 139 -14.113 -3.480 22.337 1.00 42.14 H new ATOM 0 HD23 LEU A 139 -14.507 -5.059 23.058 1.00 42.14 H new ATOM 2192 N LEU A 140 -11.672 -6.933 19.534 1.00 33.44 N ATOM 2193 CA LEU A 140 -11.543 -7.023 18.107 1.00 64.25 C ATOM 2194 C LEU A 140 -12.162 -8.309 17.557 1.00 55.13 C ATOM 2195 O LEU A 140 -12.859 -8.294 16.548 1.00 14.04 O ATOM 2196 CB LEU A 140 -10.077 -6.869 17.634 1.00 63.03 C ATOM 2197 CG LEU A 140 -9.415 -5.492 17.911 1.00 62.02 C ATOM 2198 CD1 LEU A 140 -8.076 -5.379 17.160 1.00 12.24 C ATOM 2199 CD2 LEU A 140 -10.296 -4.248 17.723 1.00 60.21 C ATOM 0 H LEU A 140 -10.799 -7.009 20.056 1.00 33.44 H new ATOM 0 HA LEU A 140 -12.104 -6.182 17.699 1.00 64.25 H new ATOM 0 HB2 LEU A 140 -9.477 -7.642 18.115 1.00 63.03 H new ATOM 0 HB3 LEU A 140 -10.040 -7.059 16.561 1.00 63.03 H new ATOM 0 HG LEU A 140 -9.238 -5.487 18.986 1.00 62.02 H new ATOM 0 HD11 LEU A 140 -7.625 -4.408 17.365 1.00 12.24 H new ATOM 0 HD12 LEU A 140 -7.404 -6.169 17.494 1.00 12.24 H new ATOM 0 HD13 LEU A 140 -8.250 -5.480 16.089 1.00 12.24 H new ATOM 0 HD21 LEU A 140 -9.715 -3.353 17.948 1.00 60.21 H new ATOM 0 HD22 LEU A 140 -10.647 -4.203 16.692 1.00 60.21 H new ATOM 0 HD23 LEU A 140 -11.152 -4.303 18.396 1.00 60.21 H new ATOM 2211 N ALA A 141 -11.985 -9.460 18.246 1.00 4.12 N ATOM 2212 CA ALA A 141 -12.596 -10.723 17.889 1.00 43.32 C ATOM 2213 C ALA A 141 -14.113 -10.678 17.887 1.00 12.55 C ATOM 2214 O ALA A 141 -14.739 -11.252 17.001 1.00 32.12 O ATOM 2215 CB ALA A 141 -12.141 -11.834 18.856 1.00 3.43 C ATOM 0 H ALA A 141 -11.399 -9.518 19.079 1.00 4.12 H new ATOM 0 HA ALA A 141 -12.267 -10.934 16.872 1.00 43.32 H new ATOM 0 HB1 ALA A 141 -12.610 -12.777 18.573 1.00 3.43 H new ATOM 0 HB2 ALA A 141 -11.057 -11.938 18.806 1.00 3.43 H new ATOM 0 HB3 ALA A 141 -12.434 -11.574 19.873 1.00 3.43 H new ATOM 2221 N ASP A 142 -14.741 -9.995 18.868 1.00 11.41 N ATOM 2222 CA ASP A 142 -16.181 -9.888 18.964 1.00 3.35 C ATOM 2223 C ASP A 142 -16.700 -8.602 18.309 1.00 54.30 C ATOM 2224 O ASP A 142 -17.750 -8.098 18.699 1.00 33.44 O ATOM 2225 CB ASP A 142 -16.579 -9.977 20.468 1.00 33.04 C ATOM 2226 CG ASP A 142 -18.067 -10.231 20.703 1.00 30.32 C ATOM 2227 OD1 ASP A 142 -18.685 -9.472 21.500 1.00 52.42 O ATOM 2228 OD2 ASP A 142 -18.585 -11.222 20.127 1.00 52.11 O ATOM 0 H ASP A 142 -14.244 -9.505 19.612 1.00 11.41 H new ATOM 0 HA ASP A 142 -16.646 -10.708 18.417 1.00 3.35 H new ATOM 0 HB2 ASP A 142 -16.006 -10.776 20.938 1.00 33.04 H new ATOM 0 HB3 ASP A 142 -16.297 -9.048 20.964 1.00 33.04 H new ATOM 2233 N THR A 143 -16.008 -8.017 17.298 1.00 50.44 N ATOM 2234 CA THR A 143 -16.494 -6.783 16.658 1.00 65.51 C ATOM 2235 C THR A 143 -17.860 -6.931 15.922 1.00 53.21 C ATOM 2236 O THR A 143 -18.048 -7.925 15.169 1.00 0.00 O ATOM 2237 CB THR A 143 -15.478 -6.132 15.702 1.00 70.43 C ATOM 2238 OG1 THR A 143 -15.958 -4.870 15.257 1.00 51.11 O ATOM 2239 CG2 THR A 143 -15.144 -6.984 14.460 1.00 22.05 C ATOM 2240 OXT THR A 143 -18.739 -6.052 16.139 1.00 0.00 O ATOM 0 H THR A 143 -15.131 -8.376 16.920 1.00 50.44 H new ATOM 0 HA THR A 143 -16.641 -6.122 17.512 1.00 65.51 H new ATOM 0 HB THR A 143 -14.562 -6.030 16.285 1.00 70.43 H new ATOM 0 HG1 THR A 143 -15.302 -4.466 14.651 1.00 51.11 H new ATOM 0 HG21 THR A 143 -14.422 -6.454 13.839 1.00 22.05 H new ATOM 0 HG22 THR A 143 -14.721 -7.937 14.776 1.00 22.05 H new ATOM 0 HG23 THR A 143 -16.053 -7.163 13.886 1.00 22.05 H new TER 2248 THR A 143